| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 27.4 | Very low | 31.8 | Very low | 135 Ų | 135 | 158.3 Ų | 158.3 | 67% | 0.665 | 72% | 0.718 | S | S | * | * | 0 | -85.1 | 0 | -135.6 | 153 | -109.2 | 0 | 0 | 111.5 | R3 R4 I732 N733 | M1-R3 VanDerWaalsContact C-N 3.3Å; M1-R3 PolarHBondContact O-N 3.49Å; M1-R4 PolarHBondContact O-N 3.37Å; M1-I732 PolarHBondContact N-O 2.81Å; M1-I732 VanDerWaalsContact N-O 3.15Å; M1-N733 HydrophobicContact CE-CB 4.39Å; M1-N733 WeakPolarHBondContact CE-O 3.37Å | |||
| 2 | Y | 30.1 | Very low | 33 | Very low | 214 Ų | 214 | 155.7 Ų | 155.7 | 84% | 0.839 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -43.4 | -40.3 | -173.5 | -100.8 | -94.7 | 0 | 0 | 0 | 117.1 | R4 | Y2-R4 VanDerWaalsContact C-N 3.28Å; Y2-R4 PolarHBondContact O-N 3.15Å |
| 3 | R | 27.2 | Very low | 34.9 | Very low | 240 Ų | 240 | 149.4 Ų | 149.4 | 91% | 0.906 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -69.2 | -8.1 | 178.4 | -86.1 | -173.2 | 175.8 | 177.2 | -1.9 | 116.4 | M1 | M1-R3 VanDerWaalsContact C-N 3.3Å; M1-R3 PolarHBondContact O-N 3.49Å |
| 4 | R | 30.4 | Very low | 37.4 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 43% | 0.43 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -88.9 | -34.5 | 176.3 | -88 | -172.5 | 166.8 | 170.1 | -2 | 113.3 | M1 Y2 K7 E731 | M1-R4 PolarHBondContact O-N 3.37Å; Y2-R4 VanDerWaalsContact C-N 3.28Å; Y2-R4 PolarHBondContact O-N 3.15Å; R4-K7 PolarHBondContact O-N 3.08Å; R4-E731 IonicContact CZ-OE1 2.75Å; R4-E731 VanDerWaalsContact CZ-OE1 3.29Å; R4-E731 IonicContact NH1-OE1 2.66Å; R4-E731 PolarHBondContact NH1-OE1 2.94Å; R4-E731 IonicContact NH2-OE1 2.75Å; R4-E731 PolarHBondContact NH2-OE1 3.41Å |
| 5 | F | 30.2 | Very low | 40.5 | Very low | 163 Ų | 163 | 135.4 Ų | 135.4 | 72% | 0.715 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -66.6 | -43.9 | -177.2 | -120.3 | -90.4 | 0 | 0 | 0 | 113 | K7 S8 | F5-K7 PolarHBondContact O-N 3.02Å; F5-K7 VanDerWaalsContact O-N 3.15Å; F5-S8 PolarHBondContact O-N 3.17Å; F5-S8 VanDerWaalsContact O-N 3.08Å |
| 6 | F | 34.3 | Very low | 43.4 | Very low | 168 Ų | 168 | 130.4 Ų | 130.4 | 74% | 0.737 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -65.3 | -15.5 | 177.2 | -93.9 | -83.4 | 0 | 0 | 0 | 114.4 | S8 | F6-S8 VanDerWaalsContact C-N 3.3Š|
| 7 | K | 32.1 | Very low | 45.9 | Very low | 177 Ų | 177 | 122.8 Ų | 122.8 | 77% | 0.77 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -83.8 | -4.7 | 175.2 | -137.8 | -177.4 | -176.8 | -171.1 | 0 | 113.7 | R4 F5 | R4-K7 PolarHBondContact O-N 3.08Å; F5-K7 PolarHBondContact O-N 3.02Å; F5-K7 VanDerWaalsContact O-N 3.15Å |
| 8 | S | 29.7 | Very low | 48.1 | Very low | 101 Ų | 101 | 119.8 Ų | 119.8 | 71% | 0.706 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -96.3 | 0.3 | 173 | -167.2 | 0 | 0 | 0 | 0 | 113.4 | F5 F6 | F5-S8 PolarHBondContact O-N 3.17Å; F5-S8 VanDerWaalsContact O-N 3.08Å; F6-S8 VanDerWaalsContact C-N 3.3Å |
| 9 | K | 31.5 | Very low | 50 | Low | 165 Ų | 165 | 113.5 Ų | 113.5 | 72% | 0.717 | 54% | 0.538 | S | S | * | . | trans | -137.5 | 36.1 | 174 | -93.5 | -160.5 | 170.4 | -162.9 | 0 | 112.3 | D11 | K9-D11 PolarHBondContact O-N 2.98Š| ||
| 10 | N | 36.2 | Very low | 51.4 | Low | 126 Ų | 126 | 109.8 Ų | 109.8 | 67% | 0.674 | 52% | 0.521 | S | S | * | . | trans | -70.9 | 97.2 | 140.9 | -83.3 | 29.6 | 0 | 0 | 0 | 105.2 | I12 | N10-I12 PolarHBondContact O-N 3.47Š| ||
| 11 | D | 40.3 | Very low | 52.3 | Low | 138 Ų | 138 | 104.6 Ų | 104.6 | 74% | 0.738 | 50% | 0.497 | S | S | * | . | trans | -54.2 | 117.6 | 159.1 | -67.5 | -46.9 | 0 | 0 | 0 | 106 | K9 A13 | K9-D11 PolarHBondContact O-N 2.98Å; D11-A13 PolarHBondContact O-N 3.03Å; D11-A13 VanDerWaalsContact O-N 3.08Å | ||
| 12 | I | 46.3 | Very low | 54.2 | Low | 127 Ų | 127 | 99.4 Ų | 99.4 | 65% | 0.651 | 47% | 0.472 | S | S | * | . | trans | -57 | 120.9 | 171.5 | -61.7 | 172.1 | 0 | 0 | 0 | 104.4 | N10 T14 | N10-I12 PolarHBondContact O-N 3.47Å; I12-T14 HydrophobicContact CG2-CG2 4.2Å; I12-T14 PolarHBondContact O-N 3.22Å | ||
| 13 | A | 58.1 | Low | 55.8 | Low | 74 Ų | 74 | 89.8 Ų | 89.8 | 61% | 0.612 | 44% | 0.435 | S | S | * | . | trans | -71.4 | 74.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 110 | D11 | D11-A13 PolarHBondContact O-N 3.03Å; D11-A13 VanDerWaalsContact O-N 3.08Å | ||
| 14 | T | 69.9 | Low | 57.3 | Low | 68 Ų | 68 | 83 Ų | 83 | 42% | 0.417 | 42% | 0.416 | S | S | . | . | trans | -69.3 | 136.8 | -176.4 | 51.4 | 0 | 0 | 0 | 0 | 109.9 | I12 E206 V207 | I12-T14 HydrophobicContact CG2-CG2 4.2Å; I12-T14 PolarHBondContact O-N 3.22Å; T14-E206 WeakPolarHBondContact CB-OE1 3.35Å; T14-E206 HydrophobicContact CG2-CG 4.32Å; T14-E206 PolarHBondContact OG1-OE1 3.18Å; T14-V207 CarbonylContact C-O 3.58Å; T14-V207 VanDerWaalsContact CA-O 3.23Å; T14-V207 WeakPolarHBondContact CA-O 3.35Å; T14-V207 WeakPolarHBondContact CB-O 3.15Å | ||
| 15 | R | 83.7 | Confident | 58.6 | Low | 21 Ų | 21 | 83.3 Ų | 83.3 | 8% | 0.079 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 125.8 | -176.5 | -176.7 | -170.5 | -166.4 | 130.6 | -1 | 108 | I17 Y34 E206 V207 E258 | R15-I17 HydrophobicContact CG-CG1 4.01Å; R15-Y34 HydrophobicContact CG-CE1 3.83Å; R15-E206 WeakPolarHBondContact O-CA 3.5Å; R15-V207 HydrophobicContact CB-CG2 3.85Å; R15-V207 HydrophobicContact CG-CG2 4.46Å; R15-V207 PolarHBondContact N-O 3.46Å; R15-V207 PolarHBondContact O-N 2.89Å; R15-E258 IonicContact CZ-OE1 3.86Å; R15-E258 IonicContact CZ-OE2 3.5Å; R15-E258 IonicContact NH1-OE1 2.97Å; R15-E258 PolarHBondContact NH1-OE1 3.14Å; R15-E258 IonicContact NH1-OE2 3.91Å; R15-E258 PolarHBondContact NH1-OE2 2.74Å; R15-E258 VanDerWaalsContact NH1-OE2 3.12Å; R15-E258 IonicContact NH2-OE1 2.72Å; R15-E258 IonicContact NH2-OE2 3.63Å; R15-E258 PolarHBondContact NH2-OE2 2.69Å |
| 16 | L | 86.1 | Confident | 59.8 | Low | 56 Ų | 56 | 80.1 Ų | 80.1 | 29% | 0.293 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 99.2 | 178.1 | -110.1 | 165 | 0 | 0 | 0 | 109.6 | Y18 Y34 P204 E206 L222 | L16-Y18 HydrophobicContact CB-CE2 4.16Å; L16-Y18 HydrophobicContact CD2-CE1 4.32Å; L16-Y18 WeakPolarHBondContact O-CD2 3.46Å; L16-Y18 WeakPolarHBondContact O-CE2 3.48Å; L16-Y34 PolarHBondContact O-OH 3.38Å; L16-P204 HydrophobicContact CD2-CB 3.67Å; L16-E206 HydrophobicContact CD2-CB 4.48Å; L16-E206 HydrophobicContact CG-CB 4.47Å; L16-E206 HydrophobicContact CG-CG 4.49Å; L16-L222 HydrophobicContact CD2-CD1 4.02Å |
| 17 | I | 87 | Confident | 60.7 | Low | 0 Ų | 0 | 80.6 Ų | 80.6 | 0% | 0 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 131.9 | 178.4 | -54.3 | -177.3 | 0 | 0 | 0 | 107.5 | R15 P140 I205 V207 I253 | R15-I17 HydrophobicContact CG-CG1 4.01Å; I17-P140 HydrophobicContact CD1-CB 4.4Å; I17-P140 HydrophobicContact CG2-CB 4.42Å; I17-I205 HydrophobicContact CB-CB 4.42Å; I17-I205 PolarHBondContact N-O 2.71Å; I17-I205 PolarHBondContact O-N 3.44Å; I17-V207 HydrophobicContact CD1-CG2 3.94Å; I17-V207 HydrophobicContact CG1-CG2 4.36Å; I17-I253 HydrophobicContact CD1-CB 4.16Å; I17-I253 HydrophobicContact CD1-CD1 3.96Å; I17-I253 HydrophobicContact CD1-CG2 3.8Å; I17-I253 WeakPolarHBondContact CD1-O 3.37Å |
| 18 | Y | 85.4 | Confident | 61.7 | Low | 69 Ų | 69 | 76.3 Ų | 76.3 | 27% | 0.271 | 41% | 0.405 | S | S | . | . | trans | -112.2 | 134.5 | 178 | -60 | -81.5 | 0 | 0 | 0 | 107.8 | L16 L22 G141 P204 | L16-Y18 HydrophobicContact CB-CE2 4.16Å; L16-Y18 HydrophobicContact CD2-CE1 4.32Å; L16-Y18 WeakPolarHBondContact O-CD2 3.46Å; L16-Y18 WeakPolarHBondContact O-CE2 3.48Å; Y18-L22 HydrophobicContact CD1-CD2 3.82Å; Y18-G141 VanDerWaalsContact O-CA 3.32Å; Y18-G141 WeakPolarHBondContact O-CA 3.41Å; Y18-P204 HydrophobicContact CD1-CB 3.8Å; Y18-P204 HydrophobicContact CD1-CG 3.84Å; Y18-P204 HydrophobicContact CE1-CB 3.8Å; Y18-P204 HydrophobicContact CE1-CG 3.84Å | ||
| 19 | P | 83.7 | Confident | 62.7 | Low | 0 Ų | 0 | 81.2 Ų | 81.2 | 0% | 0 | 41% | 0.414 | C | S | . | . | trans | -62.8 | 142.6 | 172.6 | 26.1 | -31.8 | 0 | 0 | 0 | 109.9 | T21 L22 I23 F143 F201 I251 | P19-T21 PolarHBondContact O-N 3.45Å; P19-T21 VanDerWaalsContact O-N 3.14Å; P19-L22 HydrophobicContact CG-CB 3.94Å; P19-L22 WeakPolarHBondContact O-CB 3.49Å; P19-L22 PolarHBondContact O-N 3.5Å; P19-I23 PolarHBondContact O-N 3.44Å; P19-F143 HydrophobicContact CB-CE2 3.86Å; P19-F143 HydrophobicContact CB-CZ 3.68Å; P19-F201 HydrophobicContact CB-CD1 4.07Å; P19-F201 HydrophobicContact CB-CE1 4.4Å; P19-F201 HydrophobicContact CG-CD1 4.15Å; P19-F201 HydrophobicContact CG-CE1 4.3Å; P19-F201 VanDerWaalsContact CG-O 3.32Å; P19-F201 WeakPolarHBondContact CG-O 3.38Å; P19-I251 HydrophobicContact CB-CD1 3.8Å | ||
| 20 | I | 78.7 | Confident | 63.7 | Low | 40 Ų | 40 | 76.8 Ų | 76.8 | 21% | 0.205 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -58.2 | -30.4 | -175.2 | -169.2 | 161.6 | 0 | 0 | 0 | 112.8 | I23 D24 I125 G141 F143 | I20-I23 WeakPolarHBondContact O-CB 3.24Å; I20-I23 PolarHBondContact O-N 3.15Å; I20-D24 PolarHBondContact O-N 2.69Å; I20-I125 HydrophobicContact CG1-CD1 4.15Å; I20-I125 HydrophobicContact CG2-CD1 4.31Å; I20-G141 PolarHBondContact N-O 3.34Å; I20-F143 HydrophobicContact CG2-CD2 4.02Å; I20-F143 HydrophobicContact CG2-CE2 4.31Å |
| 21 | T | 70 | Confident | 64.7 | Low | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.006 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58.4 | -45.2 | 172.2 | 45.6 | 0 | 0 | 0 | 0 | 112.8 | P19 L25 I125 F143 L199 F201 | P19-T21 PolarHBondContact O-N 3.45Å; P19-T21 VanDerWaalsContact O-N 3.14Å; T21-L25 VanDerWaalsContact O-CB 3.3Å; T21-L25 WeakPolarHBondContact O-CB 3.38Å; T21-L25 WeakPolarHBondContact O-CD1 3.38Å; T21-L25 WeakPolarHBondContact O-CG 3.38Å; T21-L25 PolarHBondContact O-N 2.95Å; T21-I125 HydrophobicContact CG2-CD1 4.19Å; T21-I125 HydrophobicContact CG2-CG1 4.21Å; T21-F143 HydrophobicContact CG2-CE2 4.02Å; T21-L199 HydrophobicContact CG2-CD2 4.15Å; T21-F201 PolarHBondContact OG1-O 3.25Å |
| 22 | L | 67.8 | Low | 65.3 | Low | 26 Ų | 26 | 77.1 Ų | 77.1 | 14% | 0.136 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -69.4 | -32.7 | 177.7 | -174.2 | 78.5 | 0 | 0 | 0 | 112.5 | Y18 P19 N26 L202 P204 | Y18-L22 HydrophobicContact CD1-CD2 3.82Å; P19-L22 HydrophobicContact CG-CB 3.94Å; P19-L22 WeakPolarHBondContact O-CB 3.49Å; P19-L22 PolarHBondContact O-N 3.5Å; L22-N26 WeakPolarHBondContact CD1-ND2 3.35Å; L22-N26 WeakPolarHBondContact O-CB 3.44Å; L22-N26 PolarHBondContact O-N 2.92Å; L22-N26 PolarHBondContact O-ND2 3.12Å; L22-L202 HydrophobicContact CB-CD2 4.19Å; L22-L202 HydrophobicContact CD1-CB 4.13Å; L22-L202 HydrophobicContact CD1-CD2 4.44Å; L22-P204 HydrophobicContact CD2-CG 4.17Å |
| 23 | I | 62.2 | Low | 66.2 | Low | 12 Ų | 12 | 79.7 Ų | 79.7 | 6% | 0.062 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.2 | -54.6 | -179.2 | -75.5 | 162.1 | 0 | 0 | 0 | 110.5 | P19 I20 Q27 L28 L30 | P19-I23 PolarHBondContact O-N 3.44Å; I20-I23 WeakPolarHBondContact O-CB 3.24Å; I20-I23 PolarHBondContact O-N 3.15Å; I23-Q27 PolarHBondContact O-N 2.7Å; I23-L28 PolarHBondContact O-N 2.89Å; I23-L28 VanDerWaalsContact O-N 3.16Å; I23-L30 HydrophobicContact CD1-CD2 3.76Å; I23-L30 HydrophobicContact CD1-CG 3.97Å; I23-L30 HydrophobicContact CG2-CD1 4.12Å; I23-L30 HydrophobicContact CG2-CG 3.91Å |
| 24 | D | 58.8 | Low | 66.8 | Low | 96 Ų | 96 | 79 Ų | 79 | 51% | 0.513 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -72.6 | -37.2 | -177.2 | -78.9 | -13.5 | 0 | 0 | 0 | 112 | I20 N26 Q27 I125 | I20-D24 PolarHBondContact O-N 2.69Å; D24-N26 VanDerWaalsContact C-N 3.28Å; D24-N26 PolarHBondContact O-N 3.24Å; D24-Q27 PolarHBondContact O-N 3.46Å; D24-I125 HydrophobicContact CB-CD1 4.2Å |
| 25 | L | 58.6 | Low | 66.9 | Low | 121 Ų | 121 | 79.8 Ų | 79.8 | 63% | 0.634 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -61.1 | -31.6 | 177 | -78.1 | 170.4 | 0 | 0 | 0 | 113.8 | T21 L202 | T21-L25 VanDerWaalsContact O-CB 3.3Å; T21-L25 WeakPolarHBondContact O-CB 3.38Å; T21-L25 WeakPolarHBondContact O-CD1 3.38Å; T21-L25 WeakPolarHBondContact O-CG 3.38Å; T21-L25 PolarHBondContact O-N 2.95Å; L25-L202 HydrophobicContact CD1-CD1 4.46Å; L25-L202 HydrophobicContact CD1-CD2 3.84Å |
| 26 | N | 55.9 | Low | 67 | Low | 96 Ų | 96 | 81.6 Ų | 81.6 | 51% | 0.513 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 5.7 | -174.9 | -67.4 | -75.3 | 0 | 0 | 0 | 114.5 | L22 D24 L28 | L22-N26 WeakPolarHBondContact CD1-ND2 3.35Å; L22-N26 WeakPolarHBondContact O-CB 3.44Å; L22-N26 PolarHBondContact O-N 2.92Å; L22-N26 PolarHBondContact O-ND2 3.12Å; D24-N26 VanDerWaalsContact C-N 3.28Å; D24-N26 PolarHBondContact O-N 3.24Å; N26-L28 HydrophobicContact CB-CD1 3.95Å; N26-L28 HydrophobicContact CB-CG 3.91Å; N26-L28 PolarHBondContact O-N 2.79Å; N26-L28 VanDerWaalsContact O-N 3.08Å |
| 27 | Q | 53.3 | Low | 67.2 | Low | 178 Ų | 178 | 79 Ų | 79 | 83% | 0.832 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 27.2 | -170.4 | -56.2 | -172.6 | 3.4 | 0 | 0 | 113.7 | I23 D24 K29 | I23-Q27 PolarHBondContact O-N 2.7Å; D24-Q27 PolarHBondContact O-N 3.46Å; Q27-K29 PolarHBondContact O-N 2.75Å |
| 28 | L | 52.2 | Low | 67.3 | Low | 87 Ų | 87 | 83.7 Ų | 83.7 | 46% | 0.455 | 40% | 0.4 | S | S | . | . | trans | -70 | 108.3 | -179.6 | -82.9 | 168.7 | 0 | 0 | 0 | 108.6 | I23 N26 L30 | I23-L28 PolarHBondContact O-N 2.89Å; I23-L28 VanDerWaalsContact O-N 3.16Å; N26-L28 HydrophobicContact CB-CD1 3.95Å; N26-L28 HydrophobicContact CB-CG 3.91Å; N26-L28 PolarHBondContact O-N 2.79Å; N26-L28 VanDerWaalsContact O-N 3.08Å; L28-L30 PolarHBondContact O-N 3.1Å | ||
| 29 | K | 50.4 | Low | 67.1 | Low | 205 Ų | 205 | 82.6 Ų | 82.6 | 89% | 0.891 | 40% | 0.398 | S | S | * | . | trans | -57 | 105.5 | 176.5 | -78.5 | 179.4 | 177.4 | 169.4 | 0 | 110 | Q27 | Q27-K29 PolarHBondContact O-N 2.75Š| ||
| 30 | L | 54.1 | Low | 67 | Low | 71 Ų | 71 | 86.5 Ų | 86.5 | 37% | 0.372 | 42% | 0.415 | S | S | . | . | trans | -35.4 | 122.1 | 170.2 | -102.8 | 158.7 | 0 | 0 | 0 | 109.9 | I23 L28 K32 | I23-L30 HydrophobicContact CD1-CD2 3.76Å; I23-L30 HydrophobicContact CD1-CG 3.97Å; I23-L30 HydrophobicContact CG2-CD1 4.12Å; I23-L30 HydrophobicContact CG2-CG 3.91Å; L28-L30 PolarHBondContact O-N 3.1Å; L30-K32 PolarHBondContact O-N 3.35Å; L30-K32 VanDerWaalsContact O-N 3.09Å | ||
| 31 | P | 55.3 | Low | 66.8 | Low | 52 Ų | 52 | 88 Ų | 88 | 34% | 0.338 | 43% | 0.427 | S | S | . | . | trans | -59.2 | 122.2 | 177.7 | 23.9 | -33.2 | 0 | 0 | 0 | 108.4 | K33 Y34 | P31-K33 PolarHBondContact O-N 3.36Å; P31-Y34 HydrophobicContact CG-CD2 4.07Å; P31-Y34 HydrophobicContact CG-CE1 4.37Å; P31-Y34 HydrophobicContact CG-CE2 3.61Å | ||
| 32 | K | 53.9 | Low | 67.3 | Low | 220 Ų | 220 | 88.9 Ų | 88.9 | 96% | 0.957 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 12.8 | -178.3 | -85.9 | -166.3 | 170.7 | -168.4 | 0 | 115.4 | L30 | L30-K32 PolarHBondContact O-N 3.35Å; L30-K32 VanDerWaalsContact O-N 3.09Å |
| 33 | K | 64.6 | Low | 67.7 | Low | 181 Ų | 181 | 92 Ų | 92 | 79% | 0.787 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | -5.4 | -166.6 | -144.2 | -178.6 | -175.5 | -174.4 | 0 | 113.8 | P31 | P31-K33 PolarHBondContact O-N 3.36Š|
| 34 | Y | 71 | Confident | 68.7 | Low | 58 Ų | 58 | 91.8 Ų | 91.8 | 23% | 0.227 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -92.5 | 126.7 | 179.6 | -61.6 | -16.2 | 0 | 0 | 0 | 110.9 | R15 L16 P31 P140 | R15-Y34 HydrophobicContact CG-CE1 3.83Å; L16-Y34 PolarHBondContact O-OH 3.38Å; P31-Y34 HydrophobicContact CG-CD2 4.07Å; P31-Y34 HydrophobicContact CG-CE1 4.37Å; P31-Y34 HydrophobicContact CG-CE2 3.61Å; Y34-P140 HydrophobicContact CD2-CB 4.33Å |
| 35 | L | 72.7 | Confident | 70 | Confident | 86 Ų | 86 | 90.1 Ų | 90.1 | 45% | 0.45 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 145.8 | 178.3 | -73.5 | 156.6 | 0 | 0 | 0 | 110 | E258 | L35-E258 HydrophobicContact CB-CG 4.44Å; L35-E258 HydrophobicContact CD1-CG 3.66Å |
| 36 | T | 85.8 | Confident | 71.2 | Confident | 59 Ų | 59 | 91.6 Ų | 91.6 | 36% | 0.362 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 165 | 167.6 | 61.5 | 0 | 0 | 0 | 0 | 110.2 | Y38 R139 | T36-Y38 PolarHBondContact O-N 2.74Å; T36-R139 HydrophobicContact CG2-CG 4.36Å |
| 37 | N | 90.1 | Very high | 72.6 | Confident | 0 Ų | 0 | 97.7 Ų | 97.7 | 0% | 0 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -77.6 | 15.4 | -176.6 | -169.5 | 39.9 | 0 | 0 | 0 | 115.3 | I39 W135 L138 P153 R238 A255 G256 | N37-I39 PolarHBondContact O-N 2.7Å; N37-W135 VanDerWaalsContact CB-O 3.22Å; N37-W135 WeakPolarHBondContact CB-O 3.27Å; N37-W135 PolarHBondContact ND2-O 2.76Å; N37-L138 HydrophobicContact CB-CB 3.76Å; N37-L138 WeakPolarHBondContact CB-O 3.42Å; N37-L138 PolarHBondContact N-O 2.8Å; N37-P153 PolarHBondContact ND2-O 3.1Å; N37-P153 PolarHBondContact OD1-O 3.48Å; N37-R238 PolarHBondContact ND2-NH2 3.5Å; N37-R238 PolarHBondContact OD1-NH1 3.21Å; N37-R238 PolarHBondContact OD1-NH2 2.95Å; N37-A255 HydrophobicContact CB-CB 4Å; N37-G256 WeakPolarHBondContact OD1-CA 3.48Å; N37-G256 PolarHBondContact OD1-N 3.03Å |
| 38 | Y | 89.1 | Confident | 74.4 | Confident | 100 Ų | 100 | 91.8 Ų | 91.8 | 39% | 0.392 | 44% | 0.435 | S | S | . | . | trans | -66.7 | 121.3 | 176.4 | 179.4 | -101.2 | 0 | 0 | 0 | 112.2 | T36 K40 N116 Q136 | T36-Y38 PolarHBondContact O-N 2.74Å; Y38-K40 HydrophobicContact CE1-CB 3.95Å; Y38-N116 HydrophobicContact CD2-CB 4.41Å; Y38-N116 WeakPolarHBondContact CD2-ND2 3.45Å; Y38-N116 VanDerWaalsContact CE2-ND2 3.31Å; Y38-N116 WeakPolarHBondContact CE2-ND2 3.35Å; Y38-Q136 HydrophobicContact CD2-CB 4Å | ||
| 39 | I | 80.9 | Confident | 76.2 | Confident | 45 Ų | 45 | 89.7 Ų | 89.7 | 23% | 0.231 | 42% | 0.422 | C | S | . | . | trans | -90 | 140.3 | 172.1 | -71.2 | 179.3 | 0 | 0 | 0 | 110.2 | N37 T41 V115 N116 | N37-I39 PolarHBondContact O-N 2.7Å; I39-T41 HydrophobicContact CG2-CG2 4.09Å; I39-V115 HydrophobicContact CD1-CG1 4.19Å; I39-N116 PolarHBondContact N-OD1 3.11Å; I39-N116 PolarHBondContact O-ND2 2.73Å | ||
| 40 | K | 81 | Confident | 78 | Confident | 82 Ų | 82 | 85.8 Ų | 85.8 | 36% | 0.357 | 41% | 0.41 | S | S | . | . | trans | -137.7 | 112.4 | 168.9 | -169.2 | -164.2 | 175.9 | -146.3 | 0 | 110.7 | Y38 T42 Y44 D112 | Y38-K40 HydrophobicContact CE1-CB 3.95Å; K40-T42 VanDerWaalsContact CE-O 3.27Å; K40-T42 WeakPolarHBondContact CE-O 3.19Å; K40-T42 WeakPolarHBondContact CE-OG1 3Å; K40-T42 HydrophobicContact CG-CG2 4.31Å; K40-T42 PolarHBondContact NZ-O 3.19Å; K40-Y44 WeakPolarHBondContact CE-O 3.32Å; K40-Y44 PolarHBondContact NZ-O 3.49Å; K40-D112 WeakPolarHBondContact CA-OD2 3.49Å | ||
| 41 | T | 75.3 | Confident | 79.7 | Confident | 73 Ų | 73 | 86.1 Ų | 86.1 | 45% | 0.448 | 42% | 0.416 | S | S | . | . | trans | -101.5 | -8.4 | 172.8 | 66.5 | 0 | 0 | 0 | 0 | 113.1 | I39 D112 | I39-T41 HydrophobicContact CG2-CG2 4.09Å; T41-D112 WeakPolarHBondContact CB-OD1 3.47Å; T41-D112 WeakPolarHBondContact CG2-OD1 3.48Å; T41-D112 VanDerWaalsContact N-CG 3.33Å; T41-D112 PolarHBondContact N-OD1 3.01Å; T41-D112 PolarHBondContact N-OD2 2.98Å; T41-D112 VanDerWaalsContact OG1-CG 3.3Å; T41-D112 PolarHBondContact OG1-OD1 3.05Å; T41-D112 PolarHBondContact OG1-OD2 3.17Å | ||
| 42 | T | 79.7 | Confident | 81.2 | Confident | 18 Ų | 18 | 87.6 Ų | 87.6 | 11% | 0.11 | 42% | 0.421 | C | S | . | . | trans | -67.1 | 131.1 | 173 | 106.3 | 0 | 0 | 0 | 0 | 111 | K40 Y44 D105 R108 D112 | K40-T42 VanDerWaalsContact CE-O 3.27Å; K40-T42 WeakPolarHBondContact CE-O 3.19Å; K40-T42 WeakPolarHBondContact CE-OG1 3Å; K40-T42 HydrophobicContact CG-CG2 4.31Å; K40-T42 PolarHBondContact NZ-O 3.19Å; T42-Y44 PolarHBondContact OG1-O 2.71Å; T42-D105 WeakPolarHBondContact CA-OD1 3.2Å; T42-D105 WeakPolarHBondContact CB-OD1 3.46Å; T42-D105 VanDerWaalsContact CB-OD2 3.31Å; T42-D105 WeakPolarHBondContact CB-OD2 3.49Å; T42-D105 PolarHBondContact OG1-OD2 3.01Å; T42-R108 HydrophobicContact CG2-CB 4.28Å; T42-D112 WeakPolarHBondContact CG2-OD2 3.32Å; T42-D112 PolarHBondContact N-OD2 3.41Å | ||
| 43 | K | 76.4 | Confident | 82.8 | Confident | 91 Ų | 91 | 77.3 Ų | 77.3 | 40% | 0.396 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -62.8 | -47.6 | 175.5 | -80.8 | -174 | 163.7 | -168.4 | 0 | 110.6 | E56 D105 | K43-E56 VanDerWaalsContact NZ-CD 3.27Å; K43-E56 IonicContact NZ-OE1 3.52Å; K43-E56 PolarHBondContact NZ-OE1 2.98Å; K43-E56 VanDerWaalsContact NZ-OE1 3.08Å; K43-E56 IonicContact NZ-OE2 2.81Å; K43-E56 PolarHBondContact NZ-OE2 2.8Å; K43-D105 PolarHBondContact N-OD1 2.95Å |
| 44 | Y | 83 | Confident | 83.8 | Confident | 9 Ų | 9 | 72.7 Ų | 72.7 | 4% | 0.035 | 36% | 0.36 | C | S | . | . | trans | -100.6 | 176 | -165.2 | -50.2 | -60.8 | 0 | 0 | 0 | 112.1 | K40 T42 F49 L52 E56 D105 | K40-Y44 WeakPolarHBondContact CE-O 3.32Å; K40-Y44 PolarHBondContact NZ-O 3.49Å; T42-Y44 PolarHBondContact OG1-O 2.71Å; Y44-F49 AromaticContact CD2-CD2 3.66Å; Y44-F49 HydrophobicContact CD2-CD2 3.66Å; Y44-F49 HydrophobicContact CD2-CE2 4.18Å; Y44-F49 HydrophobicContact CE2-CD2 4.31Å; Y44-F49 HydrophobicContact CE2-CE2 4.45Å; Y44-F49 HydrophobicContact CG-CB 4.44Å; Y44-F49 AromaticContact CG-CD2 3.88Å; Y44-F49 HydrophobicContact CG-CD2 3.88Å; Y44-L52 HydrophobicContact CD1-CB 4.02Å; Y44-L52 HydrophobicContact CE1-CB 3.99Å; Y44-E56 WeakPolarHBondContact CE1-OE1 3.22Å; Y44-E56 PolarHBondContact OH-OE1 3.15Å; Y44-D105 WeakPolarHBondContact CB-OD2 3.36Å; Y44-D105 HydrophobicContact CD2-CB 3.81Å; Y44-D105 WeakPolarHBondContact CD2-OD2 3.36Å; Y44-D105 HydrophobicContact CE2-CB 4.35Å; Y44-D105 PolarHBondContact N-OD2 3.04Å | ||
| 45 | T | 86.5 | Confident | 84.6 | Confident | 60 Ų | 60 | 78.7 Ų | 78.7 | 37% | 0.368 | 38% | 0.382 | S | S | . | . | trans | -125.5 | 167.6 | 158.8 | 65.9 | 0 | 0 | 0 | 0 | 106.9 | W47 T48 F49 | T45-W47 PolarHBondContact O-N 2.8Å; T45-W47 VanDerWaalsContact O-N 3.11Å; T45-T48 PolarHBondContact N-OG1 3.01Å; T45-T48 PolarHBondContact O-N 3.46Å; T45-T48 WeakPolarHBondContact OG1-CB 3.42Å; T45-T48 WeakPolarHBondContact OG1-CG2 3.41Å; T45-T48 PolarHBondContact OG1-N 2.59Å; T45-T48 PolarHBondContact OG1-OG1 2.84Å; T45-F49 WeakPolarHBondContact O-CA 3.26Å; T45-F49 WeakPolarHBondContact O-CB 3.11Å; T45-F49 PolarHBondContact O-N 2.94Å | ||
| 46 | I | 83.9 | Confident | 85 | Confident | 152 Ų | 152 | 78.2 Ų | 78.2 | 78% | 0.779 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -37.7 | 178.2 | -61 | 173.1 | 0 | 0 | 0 | 111.2 | ||
| 47 | W | 85.8 | Confident | 84.8 | Confident | 224 Ų | 224 | 75.7 Ų | 75.7 | 85% | 0.848 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -43.2 | 179.1 | -55.3 | 114.1 | 0 | 0 | 0 | 113.6 | T45 F49 P51 | T45-W47 PolarHBondContact O-N 2.8Å; T45-W47 VanDerWaalsContact O-N 3.11Å; W47-F49 VanDerWaalsContact C-N 3.33Å; W47-F49 PolarHBondContact O-N 3.03Å; W47-P51 WeakPolarHBondContact O-CD 3.14Å |
| 48 | T | 89.9 | Confident | 84.4 | Confident | 54 Ų | 54 | 78.4 Ų | 78.4 | 33% | 0.331 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -10.8 | -177.9 | 63.8 | 0 | 0 | 0 | 0 | 114.1 | T45 P51 L52 | T45-T48 PolarHBondContact N-OG1 3.01Å; T45-T48 PolarHBondContact O-N 3.46Å; T45-T48 WeakPolarHBondContact OG1-CB 3.42Å; T45-T48 WeakPolarHBondContact OG1-CG2 3.41Å; T45-T48 PolarHBondContact OG1-N 2.59Å; T45-T48 PolarHBondContact OG1-OG1 2.84Å; T48-P51 WeakPolarHBondContact O-CD 3.5Å; T48-P51 WeakPolarHBondContact O-CG 3.21Å; T48-L52 HydrophobicContact CG2-CD1 4.48Å; T48-L52 WeakPolarHBondContact O-CB 3.32Å; T48-L52 PolarHBondContact O-N 3.21Å |
| 49 | F | 89.9 | Confident | 83.9 | Confident | 43 Ų | 43 | 79.3 Ų | 79.3 | 19% | 0.189 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -55.1 | -54.5 | 178.6 | 171.6 | -98.9 | 0 | 0 | 0 | 112 | Y44 T45 W47 N53 A98 A102 | Y44-F49 AromaticContact CD2-CD2 3.66Å; Y44-F49 HydrophobicContact CD2-CD2 3.66Å; Y44-F49 HydrophobicContact CD2-CE2 4.18Å; Y44-F49 HydrophobicContact CE2-CD2 4.31Å; Y44-F49 HydrophobicContact CE2-CE2 4.45Å; Y44-F49 HydrophobicContact CG-CB 4.44Å; Y44-F49 AromaticContact CG-CD2 3.88Å; Y44-F49 HydrophobicContact CG-CD2 3.88Å; T45-F49 WeakPolarHBondContact O-CA 3.26Å; T45-F49 WeakPolarHBondContact O-CB 3.11Å; T45-F49 PolarHBondContact O-N 2.94Å; W47-F49 VanDerWaalsContact C-N 3.33Å; W47-F49 PolarHBondContact O-N 3.03Å; F49-N53 HydrophobicContact CD2-CB 4.45Å; F49-N53 HydrophobicContact CE2-CB 4.24Å; F49-N53 WeakPolarHBondContact CE2-ND2 3.35Å; F49-N53 HydrophobicContact CZ-CB 4.41Å; F49-N53 WeakPolarHBondContact CZ-ND2 3.41Å; F49-N53 WeakPolarHBondContact O-CB 3.35Å; F49-N53 PolarHBondContact O-N 3Å; F49-A98 HydrophobicContact CZ-CB 4.31Å; F49-A98 WeakPolarHBondContact CZ-O 3.24Å; F49-A102 HydrophobicContact CE1-CB 4.44Å; F49-A102 HydrophobicContact CE2-CB 3.78Å; F49-A102 HydrophobicContact CZ-CB 3.62Å |
| 50 | I | 88.6 | Confident | 83.6 | Confident | 124 Ų | 124 | 79.8 Ų | 79.8 | 64% | 0.636 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -59.6 | -55.3 | -177.4 | -59.3 | 178.2 | 0 | 0 | 0 | 111.6 | L54 | I50-L54 VanDerWaalsContact O-CB 3.31Å; I50-L54 WeakPolarHBondContact O-CB 3.47Å; I50-L54 PolarHBondContact O-N 2.95Å |
| 51 | P | 90 | Very high | 83.3 | Confident | 77 Ų | 77 | 82.7 Ų | 82.7 | 50% | 0.5 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67 | -43.2 | -177.2 | 24.2 | -33.8 | 0 | 0 | 0 | 114 | W47 T48 W55 | W47-P51 WeakPolarHBondContact O-CD 3.14Å; T48-P51 WeakPolarHBondContact O-CD 3.5Å; T48-P51 WeakPolarHBondContact O-CG 3.21Å; P51-W55 WeakPolarHBondContact O-CB 3.37Å; P51-W55 PolarHBondContact O-N 2.83Å |
| 52 | L | 87.8 | Confident | 83.4 | Confident | 83 Ų | 83 | 79.3 Ų | 79.3 | 44% | 0.435 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -72.4 | -37.8 | 179.4 | -88.5 | 101.4 | 0 | 0 | 0 | 112.8 | Y44 T48 W55 E56 | Y44-L52 HydrophobicContact CD1-CB 4.02Å; Y44-L52 HydrophobicContact CE1-CB 3.99Å; T48-L52 HydrophobicContact CG2-CD1 4.48Å; T48-L52 WeakPolarHBondContact O-CB 3.32Å; T48-L52 PolarHBondContact O-N 3.21Å; L52-W55 PolarHBondContact O-N 2.78Å; L52-E56 PolarHBondContact O-N 2.74Å |
| 53 | N | 87.2 | Confident | 83.4 | Confident | 4 Ų | 4 | 79.4 Ų | 79.4 | 2% | 0.021 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.3 | -44 | 176.6 | -170.6 | -22.7 | 0 | 0 | 0 | 110.5 | F49 W55 E56 Q57 D101 | F49-N53 HydrophobicContact CD2-CB 4.45Å; F49-N53 HydrophobicContact CE2-CB 4.24Å; F49-N53 WeakPolarHBondContact CE2-ND2 3.35Å; F49-N53 HydrophobicContact CZ-CB 4.41Å; F49-N53 WeakPolarHBondContact CZ-ND2 3.41Å; F49-N53 WeakPolarHBondContact O-CB 3.35Å; F49-N53 PolarHBondContact O-N 3Å; N53-W55 VanDerWaalsContact C-N 3.29Å; N53-W55 PolarHBondContact O-N 3.07Å; N53-E56 PolarHBondContact O-N 2.84Å; N53-Q57 WeakPolarHBondContact O-CB 3.45Å; N53-Q57 WeakPolarHBondContact O-CG 3.37Å; N53-Q57 PolarHBondContact O-N 3.07Å; N53-Q57 PolarHBondContact OD1-NE2 2.59Å; N53-D101 WeakPolarHBondContact ND2-CB 3.29Å |
| 54 | L | 86.2 | Confident | 83.8 | Confident | 84 Ų | 84 | 79.2 Ų | 79.2 | 44% | 0.44 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.9 | -42.6 | 173.9 | -155.1 | 80.8 | 0 | 0 | 0 | 111 | I50 Q57 L58 | I50-L54 VanDerWaalsContact O-CB 3.31Å; I50-L54 WeakPolarHBondContact O-CB 3.47Å; I50-L54 PolarHBondContact O-N 2.95Å; L54-Q57 PolarHBondContact O-N 3.45Å; L54-L58 HydrophobicContact CD2-CD1 4.26Å; L54-L58 HydrophobicContact CG-CD1 4.14Å; L54-L58 VanDerWaalsContact O-CB 3.29Å; L54-L58 WeakPolarHBondContact O-CB 3.47Å; L54-L58 WeakPolarHBondContact O-CD1 3.44Å; L54-L58 WeakPolarHBondContact O-CG 3.4Å; L54-L58 PolarHBondContact O-N 3.32Å |
| 55 | W | 86 | Confident | 84 | Confident | 185 Ų | 185 | 80.1 Ų | 80.1 | 70% | 0.701 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63 | -45.3 | 175.9 | -173.9 | -99.6 | 0 | 0 | 0 | 113.5 | P51 L52 N53 Q57 L58 H59 | P51-W55 WeakPolarHBondContact O-CB 3.37Å; P51-W55 PolarHBondContact O-N 2.83Å; L52-W55 PolarHBondContact O-N 2.78Å; N53-W55 VanDerWaalsContact C-N 3.29Å; N53-W55 PolarHBondContact O-N 3.07Å; W55-Q57 VanDerWaalsContact C-N 3.33Å; W55-Q57 PolarHBondContact O-N 2.89Å; W55-L58 PolarHBondContact O-N 3.46Å; W55-H59 PolarHBondContact O-N 3.22Å |
| 56 | E | 80.9 | Confident | 84 | Confident | 76 Ų | 76 | 77.6 Ų | 77.6 | 36% | 0.355 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.3 | -39 | 174.9 | -76 | -166.2 | -117.4 | 0 | 0 | 112 | K43 Y44 L52 N53 H59 | K43-E56 VanDerWaalsContact NZ-CD 3.27Å; K43-E56 IonicContact NZ-OE1 3.52Å; K43-E56 PolarHBondContact NZ-OE1 2.98Å; K43-E56 VanDerWaalsContact NZ-OE1 3.08Å; K43-E56 IonicContact NZ-OE2 2.81Å; K43-E56 PolarHBondContact NZ-OE2 2.8Å; Y44-E56 WeakPolarHBondContact CE1-OE1 3.22Å; Y44-E56 PolarHBondContact OH-OE1 3.15Å; L52-E56 PolarHBondContact O-N 2.74Å; N53-E56 PolarHBondContact O-N 2.84Å; E56-H59 PolarHBondContact O-N 3.33Å |
| 57 | Q | 82.7 | Confident | 84.1 | Confident | 6 Ų | 6 | 72.6 Ų | 72.6 | 3% | 0.028 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.8 | -40.1 | 173.5 | -71 | -171.8 | 45 | 0 | 0 | 112.2 | N53 L54 W55 H59 R60 N63 L94 V97 | N53-Q57 WeakPolarHBondContact O-CB 3.45Å; N53-Q57 WeakPolarHBondContact O-CG 3.37Å; N53-Q57 PolarHBondContact O-N 3.07Å; N53-Q57 PolarHBondContact OD1-NE2 2.59Å; L54-Q57 PolarHBondContact O-N 3.45Å; W55-Q57 VanDerWaalsContact C-N 3.33Å; W55-Q57 PolarHBondContact O-N 2.89Å; Q57-H59 PolarHBondContact O-N 2.84Å; Q57-R60 WeakPolarHBondContact O-CB 3.46Å; Q57-R60 PolarHBondContact O-N 3.29Å; Q57-R60 VanDerWaalsContact O-N 3.16Å; Q57-N63 WeakPolarHBondContact O-CB 3.28Å; Q57-N63 PolarHBondContact O-ND2 3.44Å; Q57-L94 HydrophobicContact CB-CD2 4.46Å; Q57-L94 PolarHBondContact NE2-O 2.78Å; Q57-L94 PolarHBondContact OE1-O 2.8Å; Q57-V97 HydrophobicContact CG-CG1 3.92Å |
| 58 | L | 81.7 | Confident | 84.3 | Confident | 56 Ų | 56 | 66.5 Ų | 66.5 | 29% | 0.293 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.8 | -24.3 | 177.9 | -76 | 167.8 | 0 | 0 | 0 | 112.8 | L54 W55 R60 I64 I67 | L54-L58 HydrophobicContact CD2-CD1 4.26Å; L54-L58 HydrophobicContact CG-CD1 4.14Å; L54-L58 VanDerWaalsContact O-CB 3.29Å; L54-L58 WeakPolarHBondContact O-CB 3.47Å; L54-L58 WeakPolarHBondContact O-CD1 3.44Å; L54-L58 WeakPolarHBondContact O-CG 3.4Å; L54-L58 PolarHBondContact O-N 3.32Å; W55-L58 PolarHBondContact O-N 3.46Å; L58-R60 PolarHBondContact O-N 3Å; L58-R60 VanDerWaalsContact O-N 3.16Å; L58-I64 WeakPolarHBondContact O-CD1 3.41Å; L58-I64 WeakPolarHBondContact O-CG1 3.24Å; L58-I67 HydrophobicContact CD2-CD1 3.41Å; L58-I67 VanDerWaalsContact CD2-CD1 3.41Å |
| 59 | H | 78.4 | Confident | 84.3 | Confident | 119 Ų | 119 | 64 Ų | 64 | 55% | 0.551 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -9.6 | 174.3 | -155.5 | -41.9 | 0 | 0 | 0 | 113.2 | W55 E56 Q57 | W55-H59 PolarHBondContact O-N 3.22Å; E56-H59 PolarHBondContact O-N 3.33Å; Q57-H59 PolarHBondContact O-N 2.84Å |
| 60 | R | 74.3 | Confident | 84.2 | Confident | 55 Ų | 55 | 64 Ų | 64 | 21% | 0.208 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -83.3 | 119.8 | 173.1 | -57.1 | -172.9 | -174.1 | -143 | 3.8 | 110.3 | Q57 L58 A62 N63 I64 E355 | Q57-R60 WeakPolarHBondContact O-CB 3.46Å; Q57-R60 PolarHBondContact O-N 3.29Å; Q57-R60 VanDerWaalsContact O-N 3.16Å; L58-R60 PolarHBondContact O-N 3Å; L58-R60 VanDerWaalsContact O-N 3.16Å; R60-A62 PolarHBondContact O-N 3Å; R60-N63 WeakPolarHBondContact O-CB 3.33Å; R60-N63 PolarHBondContact O-N 2.85Å; R60-I64 PolarHBondContact O-N 3.42Å; R60-E355 IonicContact CZ-OE1 3.73Å; R60-E355 VanDerWaalsContact CZ-OE1 3.23Å; R60-E355 IonicContact NH1-OE1 2.67Å; R60-E355 PolarHBondContact NH1-OE1 2.99Å; R60-E355 IonicContact NH2-OE1 3.23Å; R60-E355 PolarHBondContact NH2-OE1 2.69Å |
| 61 | F | 75.8 | Confident | 84.3 | Confident | 144 Ų | 144 | 63 Ų | 63 | 63% | 0.632 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -49.2 | -37.8 | -175.2 | -70.3 | -70.6 | 0 | 0 | 0 | 115.3 | I64 Y65 | F61-I64 PolarHBondContact O-N 2.68Å; F61-Y65 PolarHBondContact O-N 3.06Å |
| 62 | A | 75.6 | Confident | 84.4 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.8 | -32.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R60 Y65 F66 I346 Y351 | R60-A62 PolarHBondContact O-N 3Å; A62-Y65 WeakPolarHBondContact O-CB 3.38Å; A62-Y65 PolarHBondContact O-N 3.38Å; A62-F66 HydrophobicContact CB-CE2 3.99Å; A62-F66 WeakPolarHBondContact O-CD2 3.47Å; A62-F66 WeakPolarHBondContact O-CG 3.25Å; A62-F66 PolarHBondContact O-N 3.25Å; A62-I346 HydrophobicContact CB-CG2 4.27Å; A62-Y351 HydrophobicContact CB-CD2 4.14Å; A62-Y351 HydrophobicContact CB-CE2 3.49Å; A62-Y351 VanDerWaalsContact CB-CE2 3.49Å |
| 63 | N | 80.9 | Confident | 84.5 | Confident | 21 Ų | 21 | 56.3 Ų | 56.3 | 11% | 0.112 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.7 | -37 | 177.2 | -67.3 | -8.7 | 0 | 0 | 0 | 111 | Q57 R60 Y65 F66 I67 | Q57-N63 WeakPolarHBondContact O-CB 3.28Å; Q57-N63 PolarHBondContact O-ND2 3.44Å; R60-N63 WeakPolarHBondContact O-CB 3.33Å; R60-N63 PolarHBondContact O-N 2.85Å; N63-Y65 VanDerWaalsContact C-N 3.33Å; N63-F66 PolarHBondContact O-N 3.39Å; N63-I67 PolarHBondContact O-N 3.35Å; N63-I67 VanDerWaalsContact O-N 3.13Å |
| 64 | I | 84.7 | Confident | 84.6 | Confident | 87 Ų | 87 | 61.2 Ų | 61.2 | 45% | 0.446 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.5 | -47.2 | 168.7 | -51.5 | 178 | 0 | 0 | 0 | 109.9 | L58 R60 F61 I67 F68 | L58-I64 WeakPolarHBondContact O-CD1 3.41Å; L58-I64 WeakPolarHBondContact O-CG1 3.24Å; R60-I64 PolarHBondContact O-N 3.42Å; F61-I64 PolarHBondContact O-N 2.68Å; I64-I67 PolarHBondContact O-N 2.82Å; I64-F68 WeakPolarHBondContact O-CB 3.26Å; I64-F68 PolarHBondContact O-N 2.88Å |
| 65 | Y | 87.3 | Confident | 84.7 | Confident | 27 Ų | 27 | 60.3 Ų | 60.3 | 11% | 0.106 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.1 | -50.7 | 178.1 | 169 | -95.8 | 0 | 0 | 0 | 112.5 | F61 A62 N63 I67 F68 I69 L290 Q343 I346 | F61-Y65 PolarHBondContact O-N 3.06Å; A62-Y65 WeakPolarHBondContact O-CB 3.38Å; A62-Y65 PolarHBondContact O-N 3.38Å; N63-Y65 VanDerWaalsContact C-N 3.33Å; Y65-I67 VanDerWaalsContact C-N 3.29Å; Y65-I67 PolarHBondContact O-N 2.87Å; Y65-F68 WeakPolarHBondContact O-CB 3.32Å; Y65-F68 PolarHBondContact O-N 2.77Å; Y65-F68 VanDerWaalsContact O-N 3.13Å; Y65-I69 HydrophobicContact CD1-CG1 4.43Å; Y65-I69 HydrophobicContact CD2-CG1 4.33Å; Y65-I69 HydrophobicContact CE1-CG1 3.98Å; Y65-I69 HydrophobicContact CE2-CD1 3.84Å; Y65-I69 HydrophobicContact CE2-CG1 3.87Å; Y65-I69 WeakPolarHBondContact O-CG1 3.28Å; Y65-I69 PolarHBondContact O-N 3.29Å; Y65-L290 HydrophobicContact CE2-CD2 3.88Å; Y65-L290 WeakPolarHBondContact OH-CD2 3.1Å; Y65-Q343 WeakPolarHBondContact OH-CA 3.41Å; Y65-Q343 PolarHBondContact OH-O 3.37Å; Y65-I346 HydrophobicContact CD1-CB 4.46Å; Y65-I346 HydrophobicContact CD1-CD1 3.78Å; Y65-I346 HydrophobicContact CD2-CD1 4.18Å; Y65-I346 HydrophobicContact CE1-CB 4.21Å; Y65-I346 HydrophobicContact CE1-CD1 3.83Å; Y65-I346 HydrophobicContact CE1-CG1 4.32Å; Y65-I346 HydrophobicContact CE2-CD1 4.23Å; Y65-I346 HydrophobicContact CG-CD1 3.96Å |
| 66 | F | 86.6 | Confident | 84.7 | Confident | 7 Ų | 7 | 55.8 Ų | 55.8 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.8 | -33.7 | -179.2 | -63.9 | -55.2 | 0 | 0 | 0 | 112.9 | A62 N63 L70 V90 I346 L348 | A62-F66 HydrophobicContact CB-CE2 3.99Å; A62-F66 WeakPolarHBondContact O-CD2 3.47Å; A62-F66 WeakPolarHBondContact O-CG 3.25Å; A62-F66 PolarHBondContact O-N 3.25Å; N63-F66 PolarHBondContact O-N 3.39Å; F66-L70 WeakPolarHBondContact O-CB 3.46Å; F66-L70 PolarHBondContact O-N 2.87Å; F66-V90 HydrophobicContact CB-CG1 4.29Å; F66-V90 HydrophobicContact CB-CG2 4.17Å; F66-I346 HydrophobicContact CE1-CB 4.5Å; F66-I346 HydrophobicContact CZ-CB 4.19Å; F66-I346 HydrophobicContact CZ-CG2 3.87Å; F66-I346 WeakPolarHBondContact CZ-O 3.3Å; F66-L348 HydrophobicContact CB-CD1 4.45Å; F66-L348 HydrophobicContact CD1-CD1 3.87Å; F66-L348 HydrophobicContact CD2-CD1 3.57Å; F66-L348 HydrophobicContact CE1-CB 4.32Å; F66-L348 HydrophobicContact CE1-CD1 3.97Å; F66-L348 HydrophobicContact CE2-CD1 3.69Å; F66-L348 HydrophobicContact CG-CD1 3.7Å; F66-L348 HydrophobicContact CZ-CB 4.11Å; F66-L348 HydrophobicContact CZ-CD1 3.9Å |
| 67 | I | 86.3 | Confident | 84.7 | Confident | 47 Ų | 47 | 57.6 Ų | 57.6 | 24% | 0.241 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -74.2 | -33.6 | 174.9 | -72.1 | 167 | 0 | 0 | 0 | 111.7 | L58 N63 I64 Y65 L70 I71 L94 | L58-I67 HydrophobicContact CD2-CD1 3.41Å; L58-I67 VanDerWaalsContact CD2-CD1 3.41Å; N63-I67 PolarHBondContact O-N 3.35Å; N63-I67 VanDerWaalsContact O-N 3.13Å; I64-I67 PolarHBondContact O-N 2.82Å; Y65-I67 VanDerWaalsContact C-N 3.29Å; Y65-I67 PolarHBondContact O-N 2.87Å; I67-L70 WeakPolarHBondContact O-CB 3.22Å; I67-L70 PolarHBondContact O-N 3.2Å; I67-I71 HydrophobicContact CG2-CD1 3.98Å; I67-I71 WeakPolarHBondContact O-CD1 3.37Å; I67-I71 VanDerWaalsContact O-CG1 3.27Å; I67-I71 WeakPolarHBondContact O-CG1 3.01Å; I67-I71 PolarHBondContact O-N 3.07Å; I67-L94 HydrophobicContact CD1-CD1 4.47Å |
| 68 | F | 89.7 | Confident | 84.9 | Confident | 97 Ų | 97 | 58 Ų | 58 | 43% | 0.425 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 170.7 | 175 | -105.8 | 0 | 0 | 0 | 111.8 | I64 Y65 L70 I71 L72 W336 | I64-F68 WeakPolarHBondContact O-CB 3.26Å; I64-F68 PolarHBondContact O-N 2.88Å; Y65-F68 WeakPolarHBondContact O-CB 3.32Å; Y65-F68 PolarHBondContact O-N 2.77Å; Y65-F68 VanDerWaalsContact O-N 3.13Å; F68-L70 VanDerWaalsContact C-N 3.34Å; F68-L70 PolarHBondContact O-N 3.32Å; F68-I71 PolarHBondContact O-N 2.56Å; F68-L72 HydrophobicContact CD1-CD1 4.08Å; F68-L72 HydrophobicContact CE1-CD1 3.56Å; F68-L72 HydrophobicContact CE1-CG 4.39Å; F68-L72 HydrophobicContact CE2-CD1 4.44Å; F68-L72 HydrophobicContact CE2-CG 4.48Å; F68-L72 HydrophobicContact CZ-CD1 3.77Å; F68-L72 HydrophobicContact CZ-CD2 4.46Å; F68-L72 HydrophobicContact CZ-CG 4.26Å; F68-L72 WeakPolarHBondContact O-CG 3.47Å; F68-L72 PolarHBondContact O-N 2.78Å; F68-W336 HydrophobicContact CE1-CZ3 4.1Å; F68-W336 HydrophobicContact CZ-CH2 4.25Å; F68-W336 AromaticContact CZ-CZ3 3.82Å; F68-W336 HydrophobicContact CZ-CZ3 3.82Å |
| 69 | I | 89.7 | Confident | 85.1 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 173.8 | -58.4 | -61.5 | 0 | 0 | 0 | 111.5 | Y65 I71 L72 N73 V339 I340 Q343 | Y65-I69 HydrophobicContact CD1-CG1 4.43Å; Y65-I69 HydrophobicContact CD2-CG1 4.33Å; Y65-I69 HydrophobicContact CE1-CG1 3.98Å; Y65-I69 HydrophobicContact CE2-CD1 3.84Å; Y65-I69 HydrophobicContact CE2-CG1 3.87Å; Y65-I69 WeakPolarHBondContact O-CG1 3.28Å; Y65-I69 PolarHBondContact O-N 3.29Å; I69-I71 PolarHBondContact O-N 2.83Å; I69-L72 HydrophobicContact CD1-CD1 4.47Å; I69-L72 PolarHBondContact O-N 2.86Å; I69-N73 PolarHBondContact O-N 3.34Å; I69-V339 HydrophobicContact CD1-CG1 3.41Å; I69-V339 VanDerWaalsContact CD1-CG1 3.41Å; I69-I340 HydrophobicContact CG2-CB 4.47Å; I69-I340 HydrophobicContact CG2-CG1 4.28Å; I69-I340 HydrophobicContact CG2-CG2 4.34Å; I69-Q343 HydrophobicContact CG1-CB 4.37Å; I69-Q343 HydrophobicContact CG2-CB 3.94Å; I69-Q343 VanDerWaalsContact CG2-OE1 3.27Å |
| 70 | L | 88.5 | Confident | 85.3 | Confident | 42 Ų | 42 | 53.4 Ų | 53.4 | 22% | 0.22 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55.9 | -50 | 175.6 | -170.9 | 87.9 | 0 | 0 | 0 | 111.4 | F66 I67 F68 L72 N73 F74 P87 | F66-L70 WeakPolarHBondContact O-CB 3.46Å; F66-L70 PolarHBondContact O-N 2.87Å; I67-L70 WeakPolarHBondContact O-CB 3.22Å; I67-L70 PolarHBondContact O-N 3.2Å; F68-L70 VanDerWaalsContact C-N 3.34Å; F68-L70 PolarHBondContact O-N 3.32Å; L70-L72 PolarHBondContact O-N 2.85Å; L70-N73 PolarHBondContact O-N 2.98Å; L70-F74 HydrophobicContact CG-CE2 4.22Å; L70-F74 VanDerWaalsContact O-CD2 3.31Å; L70-F74 WeakPolarHBondContact O-CD2 3.47Å; L70-F74 PolarHBondContact O-N 3.16Å; L70-P87 HydrophobicContact CD1-CB 3.87Å; L70-P87 HydrophobicContact CD1-CG 3.96Å |
| 71 | I | 90.6 | Very high | 85.7 | Confident | 104 Ų | 104 | 51.1 Ų | 51.1 | 53% | 0.533 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62 | -42.8 | 179.6 | -69.2 | 164 | 0 | 0 | 0 | 110.8 | I67 F68 I69 N73 F74 | I67-I71 HydrophobicContact CG2-CD1 3.98Å; I67-I71 WeakPolarHBondContact O-CD1 3.37Å; I67-I71 VanDerWaalsContact O-CG1 3.27Å; I67-I71 WeakPolarHBondContact O-CG1 3.01Å; I67-I71 PolarHBondContact O-N 3.07Å; F68-I71 PolarHBondContact O-N 2.56Å; I69-I71 PolarHBondContact O-N 2.83Å; I71-N73 VanDerWaalsContact C-N 3.34Å; I71-N73 PolarHBondContact O-N 2.98Å; I71-F74 PolarHBondContact O-N 3.1Å |
| 72 | L | 91.1 | Very high | 85.9 | Confident | 16 Ų | 16 | 45.2 Ų | 45.2 | 8% | 0.084 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.1 | -42.3 | 175.6 | -72.3 | 175.5 | 0 | 0 | 0 | 112.3 | F68 I69 L70 F74 I75 W336 V339 I340 | F68-L72 HydrophobicContact CD1-CD1 4.08Å; F68-L72 HydrophobicContact CE1-CD1 3.56Å; F68-L72 HydrophobicContact CE1-CG 4.39Å; F68-L72 HydrophobicContact CE2-CD1 4.44Å; F68-L72 HydrophobicContact CE2-CG 4.48Å; F68-L72 HydrophobicContact CZ-CD1 3.77Å; F68-L72 HydrophobicContact CZ-CD2 4.46Å; F68-L72 HydrophobicContact CZ-CG 4.26Å; F68-L72 WeakPolarHBondContact O-CG 3.47Å; F68-L72 PolarHBondContact O-N 2.78Å; I69-L72 HydrophobicContact CD1-CD1 4.47Å; I69-L72 PolarHBondContact O-N 2.86Å; L70-L72 PolarHBondContact O-N 2.85Å; L72-F74 PolarHBondContact O-N 2.99Å; L72-I75 HydrophobicContact CD2-CD1 4.11Å; L72-I75 WeakPolarHBondContact O-CB 3.29Å; L72-I75 WeakPolarHBondContact O-CG1 3.47Å; L72-I75 PolarHBondContact O-N 3.39Å; L72-W336 HydrophobicContact CD1-CE3 3.72Å; L72-W336 HydrophobicContact CD1-CZ3 3.99Å; L72-W336 HydrophobicContact CD2-CE3 4.25Å; L72-V339 HydrophobicContact CD1-CG1 4.22Å; L72-I340 HydrophobicContact CB-CD1 4.1Å; L72-I340 HydrophobicContact CB-CG1 4.2Å |
| 73 | N | 89.8 | Confident | 86.3 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71.8 | -8.3 | -179.2 | -170.5 | 80 | 0 | 0 | 0 | 114.1 | I69 L70 I71 A80 F81 K83 I340 | I69-N73 PolarHBondContact O-N 3.34Å; L70-N73 PolarHBondContact O-N 2.98Å; I71-N73 VanDerWaalsContact C-N 3.34Å; I71-N73 PolarHBondContact O-N 2.98Å; N73-A80 PolarHBondContact OD1-N 3.02Å; N73-F81 PolarHBondContact ND2-O 3.48Å; N73-F81 PolarHBondContact OD1-N 3.17Å; N73-F81 PolarHBondContact OD1-O 2.81Å; N73-K83 VanDerWaalsContact O-CE 3.31Å; N73-K83 WeakPolarHBondContact O-CE 3.42Å; N73-I340 HydrophobicContact CB-CD1 4.03Å; N73-I340 HydrophobicContact CB-CG2 4.16Å |
| 74 | F | 89.4 | Confident | 86.3 | Confident | 106 Ų | 106 | 53.9 Ų | 53.9 | 47% | 0.465 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -76.9 | -24 | 167.5 | -84.1 | -80.7 | 0 | 0 | 0 | 112.8 | L70 I71 L72 P76 K83 | L70-F74 HydrophobicContact CG-CE2 4.22Å; L70-F74 VanDerWaalsContact O-CD2 3.31Å; L70-F74 WeakPolarHBondContact O-CD2 3.47Å; L70-F74 PolarHBondContact O-N 3.16Å; I71-F74 PolarHBondContact O-N 3.1Å; L72-F74 PolarHBondContact O-N 2.99Å; F74-P76 WeakPolarHBondContact O-CD 3.26Å; F74-K83 HydrophobicContact CD1-CB 4.43Å; F74-K83 HydrophobicContact CD1-CD 4.26Å; F74-K83 HydrophobicContact CE1-CB 4.15Å; F74-K83 PolarHBondContact O-NZ 3.47Å |
| 75 | I | 89.7 | Confident | 86.1 | Confident | 65 Ų | 65 | 51.1 Ų | 51.1 | 33% | 0.333 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -68 | 120.8 | -178.8 | -55.8 | 174.5 | 0 | 0 | 0 | 109.7 | L72 D77 I78 D79 | L72-I75 HydrophobicContact CD2-CD1 4.11Å; L72-I75 WeakPolarHBondContact O-CB 3.29Å; L72-I75 WeakPolarHBondContact O-CG1 3.47Å; L72-I75 PolarHBondContact O-N 3.39Å; I75-D77 PolarHBondContact O-N 2.99Å; I75-I78 HydrophobicContact CB-CB 4.42Å; I75-I78 HydrophobicContact CB-CD1 4.42Å; I75-I78 HydrophobicContact CB-CG1 4.48Å; I75-I78 HydrophobicContact CD1-CD1 4.29Å; I75-I78 HydrophobicContact CG2-CB 4.42Å; I75-I78 HydrophobicContact CG2-CD1 3.95Å; I75-I78 HydrophobicContact CG2-CG1 3.98Å; I75-I78 PolarHBondContact O-N 3Å; I75-D79 PolarHBondContact O-N 3.05Å |
| 76 | P | 84.1 | Confident | 85.8 | Confident | 90 Ų | 90 | 50.5 Ų | 50.5 | 58% | 0.584 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -58.7 | -43.3 | -175 | -25.7 | 35.2 | 0 | 0 | 0 | 114.7 | F74 I78 D79 | F74-P76 WeakPolarHBondContact O-CD 3.26Å; P76-I78 PolarHBondContact O-N 3.1Å; P76-D79 PolarHBondContact O-N 3.45Å |
| 77 | D | 82.3 | Confident | 85.9 | Confident | 114 Ų | 114 | 51.2 Ų | 51.2 | 61% | 0.61 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -72.6 | -2.7 | -173.1 | -47.7 | -46.2 | 0 | 0 | 0 | 113.9 | I75 L333 | I75-D77 PolarHBondContact O-N 2.99Å; D77-L333 HydrophobicContact CB-CD2 4.23Å |
| 78 | I | 87.2 | Confident | 85.8 | Confident | 15 Ų | 15 | 53 Ų | 53 | 8% | 0.077 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -130.4 | -7.8 | -170.4 | -49.8 | -177.9 | 0 | 0 | 0 | 111 | I75 P76 L333 W336 I340 | I75-I78 HydrophobicContact CB-CB 4.42Å; I75-I78 HydrophobicContact CB-CD1 4.42Å; I75-I78 HydrophobicContact CB-CG1 4.48Å; I75-I78 HydrophobicContact CD1-CD1 4.29Å; I75-I78 HydrophobicContact CG2-CB 4.42Å; I75-I78 HydrophobicContact CG2-CD1 3.95Å; I75-I78 HydrophobicContact CG2-CG1 3.98Å; I75-I78 PolarHBondContact O-N 3Å; P76-I78 PolarHBondContact O-N 3.1Å; I78-L333 HydrophobicContact CD1-CD2 4.5Å; I78-L333 HydrophobicContact CG1-CD2 4.09Å; I78-W336 HydrophobicContact CD1-CB 4.14Å; I78-W336 HydrophobicContact CD1-CG 4.47Å; I78-W336 HydrophobicContact CG2-CB 3.43Å; I78-W336 VanDerWaalsContact CG2-CB 3.43Å; I78-I340 HydrophobicContact CG2-CD1 3.91Å; I78-I340 WeakPolarHBondContact O-CD1 3.29Å |
| 79 | D | 86 | Confident | 85.4 | Confident | 49 Ų | 49 | 49.2 Ų | 49.2 | 26% | 0.262 | 26% | 0.263 | S | S | . | . | trans | -64.9 | 143.9 | -171.3 | 64.3 | 43.8 | 0 | 0 | 0 | 113.8 | I75 P76 K83 R337 | I75-D79 PolarHBondContact O-N 3.05Å; P76-D79 PolarHBondContact O-N 3.45Å; D79-K83 WeakPolarHBondContact OD2-CE 3.45Å; D79-K83 IonicContact OD2-NZ 2.68Å; D79-K83 PolarHBondContact OD2-NZ 2.91Å; D79-R337 VanDerWaalsContact O-CZ 3.3Å; D79-R337 PolarHBondContact O-NE 2.97Å; D79-R337 PolarHBondContact O-NH2 3.18Å | ||
| 80 | A | 82.4 | Confident | 85.1 | Confident | 30 Ų | 30 | 49.8 Ų | 49.8 | 25% | 0.248 | 27% | 0.266 | C | S | . | . | trans | -130.7 | -17.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N73 R337 I340 I341 | N73-A80 PolarHBondContact OD1-N 3.02Å; A80-R337 HydrophobicContact CB-CG 4.14Å; A80-I340 HydrophobicContact CB-CB 4.37Å; A80-I340 HydrophobicContact CB-CG2 3.98Å; A80-I341 HydrophobicContact CB-CD1 4.43Å; A80-I341 HydrophobicContact CB-CG1 3.79Å | ||
| 81 | F | 81.5 | Confident | 85 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -131.1 | 138 | -179.5 | -63.8 | -51.1 | 0 | 0 | 0 | 111 | N73 K83 A86 I340 Q1473 Q1476 | N73-F81 PolarHBondContact ND2-O 3.48Å; N73-F81 PolarHBondContact OD1-N 3.17Å; N73-F81 PolarHBondContact OD1-O 2.81Å; F81-K83 PolarHBondContact O-N 2.84Å; F81-A86 HydrophobicContact CB-CB 4.14Å; F81-I340 HydrophobicContact CD2-CG2 3.58Å; F81-I340 HydrophobicContact CE2-CG2 3.72Å; F81-Q1473 HydrophobicContact CD1-CB 4.15Å; F81-Q1473 HydrophobicContact CD1-CG 3.64Å; F81-Q1473 HydrophobicContact CE1-CG 4.33Å; F81-Q1473 HydrophobicContact CG-CG 4.49Å; F81-Q1476 HydrophobicContact CE1-CG 4.16Å; F81-Q1476 HydrophobicContact CZ-CG 4.04Å |
| 82 | A | 81.6 | Confident | 84.7 | Confident | 19 Ų | 19 | 52 Ų | 52 | 16% | 0.157 | 28% | 0.278 | C | S | . | . | trans | -48.6 | 125.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E84 I85 A86 | A82-E84 PolarHBondContact O-N 3.14Å; A82-I85 HydrophobicContact CB-CD1 4.17Å; A82-I85 HydrophobicContact CB-CG1 4.17Å; A82-I85 PolarHBondContact O-N 3.37Å; A82-A86 PolarHBondContact O-N 2.85Å; A82-A86 VanDerWaalsContact O-N 3.16Å | ||
| 83 | K | 82.4 | Confident | 84.1 | Confident | 55 Ų | 55 | 51.8 Ų | 51.8 | 24% | 0.239 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -19.6 | -164.2 | -61.1 | -177.8 | -176.8 | -179.3 | 0 | 112.8 | N73 F74 D79 F81 P87 | N73-K83 VanDerWaalsContact O-CE 3.31Å; N73-K83 WeakPolarHBondContact O-CE 3.42Å; F74-K83 HydrophobicContact CD1-CB 4.43Å; F74-K83 HydrophobicContact CD1-CD 4.26Å; F74-K83 HydrophobicContact CE1-CB 4.15Å; F74-K83 PolarHBondContact O-NZ 3.47Å; D79-K83 WeakPolarHBondContact OD2-CE 3.45Å; D79-K83 IonicContact OD2-NZ 2.68Å; D79-K83 PolarHBondContact OD2-NZ 2.91Å; F81-K83 PolarHBondContact O-N 2.84Å; K83-P87 VanDerWaalsContact O-CD 3.25Å; K83-P87 WeakPolarHBondContact O-CD 3.32Å; K83-P87 WeakPolarHBondContact O-CG 3.3Å |
| 84 | E | 81.2 | Confident | 83.8 | Confident | 150 Ų | 150 | 52.7 Ų | 52.7 | 70% | 0.701 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -27.4 | 174.1 | -54.4 | 86.7 | 164.5 | 0 | 0 | 112.8 | A82 | A82-E84 PolarHBondContact O-N 3.14Š|
| 85 | I | 80.6 | Confident | 83.7 | Confident | 29 Ų | 29 | 50 Ų | 50 | 15% | 0.149 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -35.8 | -169.4 | -39.1 | -178.6 | 0 | 0 | 0 | 111.9 | A82 P87 I88 P89 M1477 V1610 | A82-I85 HydrophobicContact CB-CD1 4.17Å; A82-I85 HydrophobicContact CB-CG1 4.17Å; A82-I85 PolarHBondContact O-N 3.37Å; I85-P87 VanDerWaalsContact C-N 3.29Å; I85-I88 HydrophobicContact CG2-CD1 4.12Å; I85-I88 WeakPolarHBondContact O-CB 3.4Å; I85-I88 PolarHBondContact O-N 2.85Å; I85-P89 WeakPolarHBondContact O-CD 3.48Å; I85-M1477 HydrophobicContact CB-CE 3.92Å; I85-M1477 HydrophobicContact CG2-CE 3.33Å; I85-M1477 HydrophobicContact CG2-SD 4.27Å; I85-V1610 HydrophobicContact CD1-CB 4.37Å; I85-V1610 HydrophobicContact CD1-CG1 3.6Å; I85-V1610 HydrophobicContact CD1-CG2 3.79Å |
| 86 | A | 81.9 | Confident | 83.5 | Confident | 14 Ų | 14 | 49.8 Ų | 49.8 | 12% | 0.116 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -35.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | F81 A82 I88 | F81-A86 HydrophobicContact CB-CB 4.14Å; A82-A86 PolarHBondContact O-N 2.85Å; A82-A86 VanDerWaalsContact O-N 3.16Å; A86-I88 PolarHBondContact O-N 3.14Å |
| 87 | P | 87.2 | Confident | 83.3 | Confident | 22 Ų | 22 | 46.5 Ų | 46.5 | 14% | 0.143 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.6 | -25.4 | 176.1 | -17 | 30.3 | 0 | 0 | 0 | 114.7 | L70 K83 I85 V90 L91 | L70-P87 HydrophobicContact CD1-CB 3.87Å; L70-P87 HydrophobicContact CD1-CG 3.96Å; K83-P87 VanDerWaalsContact O-CD 3.25Å; K83-P87 WeakPolarHBondContact O-CD 3.32Å; K83-P87 WeakPolarHBondContact O-CG 3.3Å; I85-P87 VanDerWaalsContact C-N 3.29Å; P87-V90 PolarHBondContact O-N 2.86Å; P87-L91 HydrophobicContact CB-CD1 3.78Å; P87-L91 HydrophobicContact CB-CG 4.32Å; P87-L91 WeakPolarHBondContact O-CB 3.23Å; P87-L91 VanDerWaalsContact O-CG 3.32Å; P87-L91 WeakPolarHBondContact O-CG 3.43Å; P87-L91 PolarHBondContact O-N 2.83Å |
| 88 | I | 85.1 | Confident | 83.5 | Confident | 83 Ų | 83 | 42 Ų | 42 | 43% | 0.426 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.2 | -48.4 | -165.2 | -61.8 | 178.3 | 0 | 0 | 0 | 112.5 | I85 A86 V90 I92 | I85-I88 HydrophobicContact CG2-CD1 4.12Å; I85-I88 WeakPolarHBondContact O-CB 3.4Å; I85-I88 PolarHBondContact O-N 2.85Å; A86-I88 PolarHBondContact O-N 3.14Å; I88-V90 PolarHBondContact O-N 3.41Å; I88-I92 HydrophobicContact CG2-CD1 3.66Å; I88-I92 HydrophobicContact CG2-CG1 4.39Å; I88-I92 WeakPolarHBondContact O-CB 3.34Å; I88-I92 VanDerWaalsContact O-CG1 3.25Å; I88-I92 WeakPolarHBondContact O-CG1 3.44Å; I88-I92 PolarHBondContact O-N 3.41Å |
| 89 | P | 80.7 | Confident | 83.6 | Confident | 19 Ų | 19 | 47 Ų | 47 | 12% | 0.123 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 179.5 | -23.3 | 35.8 | 0 | 0 | 0 | 112.7 | I85 I92 T93 L348 M1477 | I85-P89 WeakPolarHBondContact O-CD 3.48Å; P89-I92 PolarHBondContact O-N 3.05Å; P89-T93 PolarHBondContact O-N 2.88Å; P89-T93 PolarHBondContact O-OG1 3.38Å; P89-L348 HydrophobicContact CB-CD2 3.3Å; P89-M1477 HydrophobicContact CG-CB 4.18Å |
| 90 | V | 83.3 | Confident | 83.4 | Confident | 12 Ų | 12 | 46.6 Ų | 46.6 | 7% | 0.073 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.8 | -50 | -179.1 | -175.4 | 0 | 0 | 0 | 0 | 110.3 | F66 P87 I88 I92 T93 L94 L348 | F66-V90 HydrophobicContact CB-CG1 4.29Å; F66-V90 HydrophobicContact CB-CG2 4.17Å; P87-V90 PolarHBondContact O-N 2.86Å; I88-V90 PolarHBondContact O-N 3.41Å; V90-I92 VanDerWaalsContact C-N 3.32Å; V90-I92 PolarHBondContact O-N 3.02Å; V90-T93 PolarHBondContact O-N 2.65Å; V90-T93 VanDerWaalsContact O-N 3.1Å; V90-T93 PolarHBondContact O-OG1 3.37Å; V90-L94 HydrophobicContact CG1-CD1 4.03Å; V90-L94 HydrophobicContact CG1-CG 4.42Å; V90-L94 WeakPolarHBondContact O-CG 3.39Å; V90-L94 PolarHBondContact O-N 3.03Å; V90-L348 HydrophobicContact CG2-CD1 4.21Å |
| 91 | L | 86.2 | Confident | 83.4 | Confident | 108 Ų | 108 | 46.4 Ų | 46.4 | 57% | 0.565 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -59.8 | -40.5 | 178 | -69.5 | 172.8 | 0 | 0 | 0 | 112.2 | P87 A95 | P87-L91 HydrophobicContact CB-CD1 3.78Å; P87-L91 HydrophobicContact CB-CG 4.32Å; P87-L91 WeakPolarHBondContact O-CB 3.23Å; P87-L91 VanDerWaalsContact O-CG 3.32Å; P87-L91 WeakPolarHBondContact O-CG 3.43Å; P87-L91 PolarHBondContact O-N 2.83Å; L91-A95 WeakPolarHBondContact O-CB 3.42Å; L91-A95 PolarHBondContact O-N 3.27Å |
| 92 | I | 84.4 | Confident | 83.6 | Confident | 86 Ų | 86 | 47.9 Ų | 47.9 | 44% | 0.441 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.1 | -46.5 | 173.8 | -72.6 | 171.6 | 0 | 0 | 0 | 110.7 | I88 P89 V90 A95 I96 | I88-I92 HydrophobicContact CG2-CD1 3.66Å; I88-I92 HydrophobicContact CG2-CG1 4.39Å; I88-I92 WeakPolarHBondContact O-CB 3.34Å; I88-I92 VanDerWaalsContact O-CG1 3.25Å; I88-I92 WeakPolarHBondContact O-CG1 3.44Å; I88-I92 PolarHBondContact O-N 3.41Å; P89-I92 PolarHBondContact O-N 3.05Å; V90-I92 VanDerWaalsContact C-N 3.32Å; V90-I92 PolarHBondContact O-N 3.02Å; I92-A95 PolarHBondContact O-N 3.32Å; I92-I96 HydrophobicContact CG2-CD1 3.61Å; I92-I96 HydrophobicContact CG2-CG1 4.39Å; I92-I96 WeakPolarHBondContact O-CB 3.4Å; I92-I96 VanDerWaalsContact O-CG1 3.22Å; I92-I96 WeakPolarHBondContact O-CG1 3.5Å; I92-I96 PolarHBondContact O-N 3.13Å |
| 93 | T | 80.1 | Confident | 83.7 | Confident | 11 Ų | 11 | 54 Ų | 54 | 7% | 0.067 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 179.2 | 51.5 | 0 | 0 | 0 | 0 | 113.4 | P89 V90 I96 V97 L348 V352 | P89-T93 PolarHBondContact O-N 2.88Å; P89-T93 PolarHBondContact O-OG1 3.38Å; V90-T93 PolarHBondContact O-N 2.65Å; V90-T93 VanDerWaalsContact O-N 3.1Å; V90-T93 PolarHBondContact O-OG1 3.37Å; T93-I96 PolarHBondContact O-N 3.34Å; T93-V97 WeakPolarHBondContact O-CG2 3.39Å; T93-V97 PolarHBondContact O-N 3.17Å; T93-V97 VanDerWaalsContact O-N 3.13Å; T93-L348 HydrophobicContact CG2-CD2 4.36Å; T93-L348 HydrophobicContact CG2-CG 4.08Å; T93-V352 HydrophobicContact CG2-CG2 3.95Å |
| 94 | L | 83.3 | Confident | 83.3 | Confident | 22 Ų | 22 | 53.6 Ų | 53.6 | 12% | 0.115 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 177.5 | -63.5 | 172.7 | 0 | 0 | 0 | 111.8 | Q57 I67 V90 V97 A98 | Q57-L94 HydrophobicContact CB-CD2 4.46Å; Q57-L94 PolarHBondContact NE2-O 2.78Å; Q57-L94 PolarHBondContact OE1-O 2.8Å; I67-L94 HydrophobicContact CD1-CD1 4.47Å; V90-L94 HydrophobicContact CG1-CD1 4.03Å; V90-L94 HydrophobicContact CG1-CG 4.42Å; V90-L94 WeakPolarHBondContact O-CG 3.39Å; V90-L94 PolarHBondContact O-N 3.03Å; L94-V97 PolarHBondContact O-N 2.85Å; L94-A98 WeakPolarHBondContact O-CB 3.25Å; L94-A98 PolarHBondContact O-N 3.2Å |
| 95 | A | 87.1 | Confident | 83.3 | Confident | 49 Ų | 49 | 47.1 Ų | 47.1 | 41% | 0.405 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L91 I92 A98 I99 | L91-A95 WeakPolarHBondContact O-CB 3.42Å; L91-A95 PolarHBondContact O-N 3.27Å; I92-A95 PolarHBondContact O-N 3.32Å; A95-A98 PolarHBondContact O-N 3.21Å; A95-I99 WeakPolarHBondContact O-CD1 3.28Å; A95-I99 VanDerWaalsContact O-CG1 3.27Å; A95-I99 WeakPolarHBondContact O-CG1 3.37Å; A95-I99 PolarHBondContact O-N 3.49Å |
| 96 | I | 84.5 | Confident | 83.5 | Confident | 61 Ų | 61 | 51.1 Ų | 51.1 | 31% | 0.313 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 177 | -74.5 | 170.9 | 0 | 0 | 0 | 111.3 | I92 T93 I99 K100 V352 F356 | I92-I96 HydrophobicContact CG2-CD1 3.61Å; I92-I96 HydrophobicContact CG2-CG1 4.39Å; I92-I96 WeakPolarHBondContact O-CB 3.4Å; I92-I96 VanDerWaalsContact O-CG1 3.22Å; I92-I96 WeakPolarHBondContact O-CG1 3.5Å; I92-I96 PolarHBondContact O-N 3.13Å; T93-I96 PolarHBondContact O-N 3.34Å; I96-I99 PolarHBondContact O-N 3.17Å; I96-K100 PolarHBondContact O-N 2.86Å; I96-V352 HydrophobicContact CG2-CG1 3.92Å; I96-F356 HydrophobicContact CG2-CE2 3.37Å; I96-F356 HydrophobicContact CG2-CZ 3.69Å |
| 97 | V | 80.7 | Confident | 83.3 | Confident | 21 Ų | 21 | 55.6 Ų | 55.6 | 13% | 0.127 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 174.5 | 175.9 | 0 | 0 | 0 | 0 | 110.4 | Q57 T93 L94 I99 K100 D101 V352 | Q57-V97 HydrophobicContact CG-CG1 3.92Å; T93-V97 WeakPolarHBondContact O-CG2 3.39Å; T93-V97 PolarHBondContact O-N 3.17Å; T93-V97 VanDerWaalsContact O-N 3.13Å; L94-V97 PolarHBondContact O-N 2.85Å; V97-I99 VanDerWaalsContact C-N 3.33Å; V97-I99 PolarHBondContact O-N 3.26Å; V97-K100 WeakPolarHBondContact O-CA 3.44Å; V97-K100 WeakPolarHBondContact O-CB 3.42Å; V97-K100 PolarHBondContact O-N 3.24Å; V97-D101 WeakPolarHBondContact CG1-OD2 3.38Å; V97-D101 PolarHBondContact O-N 2.61Å; V97-V352 HydrophobicContact CG2-CG2 4.07Å |
| 98 | A | 86.8 | Confident | 82.7 | Confident | 21 Ų | 21 | 58.4 Ų | 58.4 | 17% | 0.174 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.7 | -42.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F49 L94 A95 K100 D101 A102 | F49-A98 HydrophobicContact CZ-CB 4.31Å; F49-A98 WeakPolarHBondContact CZ-O 3.24Å; L94-A98 WeakPolarHBondContact O-CB 3.25Å; L94-A98 PolarHBondContact O-N 3.2Å; A95-A98 PolarHBondContact O-N 3.21Å; A98-K100 VanDerWaalsContact C-N 3.32Å; A98-K100 PolarHBondContact O-N 3.07Å; A98-D101 PolarHBondContact O-N 3.22Å; A98-A102 WeakPolarHBondContact O-CB 3.28Å; A98-A102 PolarHBondContact O-N 2.99Å |
| 99 | I | 88.2 | Confident | 82.6 | Confident | 119 Ų | 119 | 59 Ų | 59 | 61% | 0.61 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -61.6 | -38.9 | 175.5 | -69.8 | 162.3 | 0 | 0 | 0 | 111.5 | A95 I96 V97 Y103 | A95-I99 WeakPolarHBondContact O-CD1 3.28Å; A95-I99 VanDerWaalsContact O-CG1 3.27Å; A95-I99 WeakPolarHBondContact O-CG1 3.37Å; A95-I99 PolarHBondContact O-N 3.49Å; I96-I99 PolarHBondContact O-N 3.17Å; V97-I99 VanDerWaalsContact C-N 3.33Å; V97-I99 PolarHBondContact O-N 3.26Å; I99-Y103 WeakPolarHBondContact O-CB 3.2Å; I99-Y103 PolarHBondContact O-N 2.93Å |
| 100 | K | 82.6 | Confident | 82.8 | Confident | 41 Ų | 41 | 62 Ų | 62 | 18% | 0.178 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 175.2 | 172.1 | -89.5 | 137.5 | -176.6 | 0 | 111.9 | I96 V97 A98 Y103 E104 M359 | I96-K100 PolarHBondContact O-N 2.86Å; V97-K100 WeakPolarHBondContact O-CA 3.44Å; V97-K100 WeakPolarHBondContact O-CB 3.42Å; V97-K100 PolarHBondContact O-N 3.24Å; A98-K100 VanDerWaalsContact C-N 3.32Å; A98-K100 PolarHBondContact O-N 3.07Å; K100-Y103 PolarHBondContact O-N 3.36Å; K100-E104 WeakPolarHBondContact CE-OE2 3.42Å; K100-E104 IonicContact NZ-OE2 2.84Å; K100-E104 PolarHBondContact NZ-OE2 3.35Å; K100-E104 PolarHBondContact O-N 3.05Å; K100-E104 VanDerWaalsContact O-N 3.16Å; K100-M359 HydrophobicContact CB-CE 4.32Å; K100-M359 HydrophobicContact CG-CE 3.47Å; K100-M359 VanDerWaalsContact CG-CE 3.47Å |
| 101 | D | 81.3 | Confident | 82.2 | Confident | 26 Ų | 26 | 66.7 Ų | 66.7 | 14% | 0.139 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -74.1 | -35.4 | 179.9 | -67.5 | -43.2 | 0 | 0 | 0 | 112.3 | N53 V97 A98 Y103 E104 D105 | N53-D101 WeakPolarHBondContact ND2-CB 3.29Å; V97-D101 WeakPolarHBondContact CG1-OD2 3.38Å; V97-D101 PolarHBondContact O-N 2.61Å; A98-D101 PolarHBondContact O-N 3.22Å; D101-Y103 VanDerWaalsContact C-N 3.33Å; D101-Y103 PolarHBondContact O-N 3.49Å; D101-E104 PolarHBondContact O-N 2.8Å; D101-D105 PolarHBondContact O-N 2.85Å |
| 102 | A | 86.4 | Confident | 81.8 | Confident | 37 Ų | 37 | 61.8 Ų | 61.8 | 31% | 0.306 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.7 | -43 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F49 A98 D105 F106 | F49-A102 HydrophobicContact CE1-CB 4.44Å; F49-A102 HydrophobicContact CE2-CB 3.78Å; F49-A102 HydrophobicContact CZ-CB 3.62Å; A98-A102 WeakPolarHBondContact O-CB 3.28Å; A98-A102 PolarHBondContact O-N 2.99Å; A102-D105 PolarHBondContact O-N 3.32Å; A102-F106 VanDerWaalsContact O-CB 3.23Å; A102-F106 WeakPolarHBondContact O-CB 3.16Å; A102-F106 PolarHBondContact O-N 3.09Å |
| 103 | Y | 84.5 | Confident | 81.9 | Confident | 148 Ų | 148 | 63.9 Ų | 63.9 | 58% | 0.58 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -65.6 | -37.7 | 176.9 | 179.1 | -101.4 | 0 | 0 | 0 | 112.4 | I99 K100 D101 R107 | I99-Y103 WeakPolarHBondContact O-CB 3.2Å; I99-Y103 PolarHBondContact O-N 2.93Å; K100-Y103 PolarHBondContact O-N 3.36Å; D101-Y103 VanDerWaalsContact C-N 3.33Å; D101-Y103 PolarHBondContact O-N 3.49Å; Y103-R107 HydrophobicContact CE1-CG 4.32Å; Y103-R107 WeakPolarHBondContact O-CG 3.3Å; Y103-R107 PolarHBondContact O-N 3.14Å; Y103-R107 VanDerWaalsContact O-N 3.12Å |
| 104 | E | 73.6 | Confident | 81.9 | Confident | 46 Ų | 46 | 71.2 Ų | 71.2 | 22% | 0.215 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.7 | -48 | 175.6 | -163.7 | -171.7 | 128.2 | 0 | 0 | 111.7 | K100 D101 F106 R107 R108 | K100-E104 WeakPolarHBondContact CE-OE2 3.42Å; K100-E104 IonicContact NZ-OE2 2.84Å; K100-E104 PolarHBondContact NZ-OE2 3.35Å; K100-E104 PolarHBondContact O-N 3.05Å; K100-E104 VanDerWaalsContact O-N 3.16Å; D101-E104 PolarHBondContact O-N 2.8Å; E104-F106 VanDerWaalsContact C-N 3.35Å; E104-F106 PolarHBondContact O-N 3.15Å; E104-R107 WeakPolarHBondContact O-CB 3.35Å; E104-R107 PolarHBondContact O-N 3Å; E104-R107 VanDerWaalsContact O-N 3.16Å; E104-R108 PolarHBondContact O-N 2.98Å; E104-R108 VanDerWaalsContact O-N 3.16Å; E104-R108 IonicContact OE1-CZ 2.6Å; E104-R108 IonicContact OE1-NE 2.91Å; E104-R108 IonicContact OE1-NH2 3.48Å; E104-R108 PolarHBondContact OE1-NH2 3.14Å |
| 105 | D | 81 | Confident | 81.6 | Confident | 15 Ų | 15 | 72.7 Ų | 72.7 | 8% | 0.08 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -69.6 | -32.5 | -179.2 | -149.2 | 49.1 | 0 | 0 | 0 | 112.2 | T42 K43 Y44 D101 A102 R107 R108 Y109 | T42-D105 WeakPolarHBondContact CA-OD1 3.2Å; T42-D105 WeakPolarHBondContact CB-OD1 3.46Å; T42-D105 VanDerWaalsContact CB-OD2 3.31Å; T42-D105 WeakPolarHBondContact CB-OD2 3.49Å; T42-D105 PolarHBondContact OG1-OD2 3.01Å; K43-D105 PolarHBondContact N-OD1 2.95Å; Y44-D105 WeakPolarHBondContact CB-OD2 3.36Å; Y44-D105 HydrophobicContact CD2-CB 3.81Å; Y44-D105 WeakPolarHBondContact CD2-OD2 3.36Å; Y44-D105 HydrophobicContact CE2-CB 4.35Å; Y44-D105 PolarHBondContact N-OD2 3.04Å; D101-D105 PolarHBondContact O-N 2.85Å; A102-D105 PolarHBondContact O-N 3.32Å; D105-R107 VanDerWaalsContact C-N 3.33Å; D105-R107 PolarHBondContact O-N 3.05Å; D105-R108 WeakPolarHBondContact O-CB 3.26Å; D105-R108 PolarHBondContact O-N 3.17Å; D105-R108 WeakPolarHBondContact OD1-CD 3.45Å; D105-Y109 PolarHBondContact O-N 2.99Å |
| 106 | F | 84.3 | Confident | 81.6 | Confident | 113 Ų | 113 | 70.5 Ų | 70.5 | 50% | 0.496 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.3 | -35 | 170.8 | -177.2 | -108.2 | 0 | 0 | 0 | 112.6 | A102 E104 Y109 L110 | A102-F106 VanDerWaalsContact O-CB 3.23Å; A102-F106 WeakPolarHBondContact O-CB 3.16Å; A102-F106 PolarHBondContact O-N 3.09Å; E104-F106 VanDerWaalsContact C-N 3.35Å; E104-F106 PolarHBondContact O-N 3.15Å; F106-Y109 HydrophobicContact CD2-CD1 4.27Å; F106-Y109 HydrophobicContact CE2-CD1 4.24Å; F106-Y109 PolarHBondContact O-N 2.8Å; F106-L110 HydrophobicContact CD1-CD1 4.13Å; F106-L110 HydrophobicContact CE1-CD1 3.65Å; F106-L110 HydrophobicContact CE1-CG 4.18Å; F106-L110 HydrophobicContact CZ-CD1 4.06Å; F106-L110 HydrophobicContact CZ-CD2 4.21Å; F106-L110 HydrophobicContact CZ-CG 4.19Å; F106-L110 WeakPolarHBondContact O-CG 3.27Å; F106-L110 PolarHBondContact O-N 2.88Å; F106-L110 VanDerWaalsContact O-N 3.09Å |
| 107 | R | 77.6 | Confident | 81.9 | Confident | 107 Ų | 107 | 72.6 Ų | 72.6 | 40% | 0.404 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.5 | -39 | 171.4 | -77.4 | -176.1 | 63.1 | -144 | -5.3 | 112 | Y103 E104 D105 L110 L111 | Y103-R107 HydrophobicContact CE1-CG 4.32Å; Y103-R107 WeakPolarHBondContact O-CG 3.3Å; Y103-R107 PolarHBondContact O-N 3.14Å; Y103-R107 VanDerWaalsContact O-N 3.12Å; E104-R107 WeakPolarHBondContact O-CB 3.35Å; E104-R107 PolarHBondContact O-N 3Å; E104-R107 VanDerWaalsContact O-N 3.16Å; D105-R107 VanDerWaalsContact C-N 3.33Å; D105-R107 PolarHBondContact O-N 3.05Å; R107-L110 PolarHBondContact O-N 3.47Å; R107-L111 WeakPolarHBondContact O-CG 3.24Å; R107-L111 PolarHBondContact O-N 2.82Å |
| 108 | R | 75.4 | Confident | 82.1 | Confident | 81 Ų | 81 | 75 Ų | 75 | 31% | 0.306 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.6 | -47.3 | 173.5 | -61.4 | 172 | -174.2 | -126.1 | 1.4 | 110.7 | T42 E104 D105 L110 L111 D112 | T42-R108 HydrophobicContact CG2-CB 4.28Å; E104-R108 PolarHBondContact O-N 2.98Å; E104-R108 VanDerWaalsContact O-N 3.16Å; E104-R108 IonicContact OE1-CZ 2.6Å; E104-R108 IonicContact OE1-NE 2.91Å; E104-R108 IonicContact OE1-NH2 3.48Å; E104-R108 PolarHBondContact OE1-NH2 3.14Å; D105-R108 WeakPolarHBondContact O-CB 3.26Å; D105-R108 PolarHBondContact O-N 3.17Å; D105-R108 WeakPolarHBondContact OD1-CD 3.45Å; R108-L110 VanDerWaalsContact C-N 3.32Å; R108-L110 PolarHBondContact O-N 2.86Å; R108-L111 WeakPolarHBondContact O-CB 3.28Å; R108-L111 PolarHBondContact O-N 3.24Å; R108-D112 PolarHBondContact O-N 2.81Å |
| 109 | Y | 83.6 | Confident | 82.3 | Confident | 95 Ų | 95 | 78.2 Ų | 78.2 | 37% | 0.373 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -55 | -42.7 | 176.2 | 174 | -106.9 | 0 | 0 | 0 | 113.4 | D105 F106 L111 D112 R113 | D105-Y109 PolarHBondContact O-N 2.99Å; F106-Y109 HydrophobicContact CD2-CD1 4.27Å; F106-Y109 HydrophobicContact CE2-CD1 4.24Å; F106-Y109 PolarHBondContact O-N 2.8Å; Y109-L111 VanDerWaalsContact C-N 3.3Å; Y109-L111 PolarHBondContact O-N 2.76Å; Y109-D112 PolarHBondContact O-N 3.07Å; Y109-R113 VanDerWaalsContact O-CB 3.22Å; Y109-R113 WeakPolarHBondContact O-CB 3.47Å; Y109-R113 PolarHBondContact O-N 2.96Å |
| 110 | L | 84 | Confident | 82.5 | Confident | 83 Ų | 83 | 73 Ų | 73 | 44% | 0.435 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.7 | -29.5 | 177.9 | -71 | 177.2 | 0 | 0 | 0 | 113.3 | F106 R107 R108 K114 | F106-L110 HydrophobicContact CD1-CD1 4.13Å; F106-L110 HydrophobicContact CE1-CD1 3.65Å; F106-L110 HydrophobicContact CE1-CG 4.18Å; F106-L110 HydrophobicContact CZ-CD1 4.06Å; F106-L110 HydrophobicContact CZ-CD2 4.21Å; F106-L110 HydrophobicContact CZ-CG 4.19Å; F106-L110 WeakPolarHBondContact O-CG 3.27Å; F106-L110 PolarHBondContact O-N 2.88Å; F106-L110 VanDerWaalsContact O-N 3.09Å; R107-L110 PolarHBondContact O-N 3.47Å; R108-L110 VanDerWaalsContact C-N 3.32Å; R108-L110 PolarHBondContact O-N 2.86Å; L110-K114 PolarHBondContact O-N 3.39Å |
| 111 | L | 70.3 | Confident | 83.1 | Confident | 110 Ų | 110 | 73.6 Ų | 73.6 | 58% | 0.576 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -76.1 | -48.3 | 174.7 | -66.2 | 170.1 | 0 | 0 | 0 | 111 | R107 R108 Y109 R113 K114 V115 | R107-L111 WeakPolarHBondContact O-CG 3.24Å; R107-L111 PolarHBondContact O-N 2.82Å; R108-L111 WeakPolarHBondContact O-CB 3.28Å; R108-L111 PolarHBondContact O-N 3.24Å; Y109-L111 VanDerWaalsContact C-N 3.3Å; Y109-L111 PolarHBondContact O-N 2.76Å; L111-R113 VanDerWaalsContact C-N 3.25Å; L111-R113 PolarHBondContact O-N 2.8Å; L111-K114 WeakPolarHBondContact O-CB 3.41Å; L111-K114 PolarHBondContact O-N 2.84Å; L111-V115 PolarHBondContact O-N 3.15Å; L111-V115 VanDerWaalsContact O-N 3.15Å |
| 112 | D | 77.8 | Confident | 83.6 | Confident | 5 Ų | 5 | 73.2 Ų | 73.2 | 3% | 0.027 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -52.2 | -46.9 | 173.1 | -70.8 | -16.6 | 0 | 0 | 0 | 110.7 | K40 T41 T42 R108 Y109 K114 V115 N116 | K40-D112 WeakPolarHBondContact CA-OD2 3.49Å; T41-D112 WeakPolarHBondContact CB-OD1 3.47Å; T41-D112 WeakPolarHBondContact CG2-OD1 3.48Å; T41-D112 VanDerWaalsContact N-CG 3.33Å; T41-D112 PolarHBondContact N-OD1 3.01Å; T41-D112 PolarHBondContact N-OD2 2.98Å; T41-D112 VanDerWaalsContact OG1-CG 3.3Å; T41-D112 PolarHBondContact OG1-OD1 3.05Å; T41-D112 PolarHBondContact OG1-OD2 3.17Å; T42-D112 WeakPolarHBondContact CG2-OD2 3.32Å; T42-D112 PolarHBondContact N-OD2 3.41Å; R108-D112 PolarHBondContact O-N 2.81Å; Y109-D112 PolarHBondContact O-N 3.07Å; D112-K114 VanDerWaalsContact C-N 3.25Å; D112-K114 PolarHBondContact O-N 3.28Å; D112-V115 PolarHBondContact O-N 3.3Å; D112-V115 VanDerWaalsContact O-N 3.16Å; D112-N116 VanDerWaalsContact O-CB 3.29Å; D112-N116 WeakPolarHBondContact O-CB 3.4Å; D112-N116 PolarHBondContact O-N 2.73Å; D112-N116 PolarHBondContact O-ND2 3.36Å; D112-N116 VanDerWaalsContact O-ND2 3.1Å |
| 113 | R | 86 | Confident | 83.9 | Confident | 131 Ų | 131 | 72.3 Ų | 72.3 | 49% | 0.494 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.7 | -25.1 | 178.8 | -168.1 | 178 | -170.6 | -139.6 | 4 | 113.4 | Y109 L111 K117 | Y109-R113 VanDerWaalsContact O-CB 3.22Å; Y109-R113 WeakPolarHBondContact O-CB 3.47Å; Y109-R113 PolarHBondContact O-N 2.96Å; L111-R113 VanDerWaalsContact C-N 3.25Å; L111-R113 PolarHBondContact O-N 2.8Å; R113-K117 HydrophobicContact CG-CD 4.19Å; R113-K117 WeakPolarHBondContact O-CB 3.32Å; R113-K117 WeakPolarHBondContact O-CG 3.39Å |
| 114 | K | 81.6 | Confident | 84 | Confident | 165 Ų | 165 | 66.8 Ų | 66.8 | 72% | 0.717 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -75.7 | -42.4 | 172.4 | -170.4 | -174.9 | 177.9 | -172.2 | 0 | 111.3 | L110 L111 D112 | L110-K114 PolarHBondContact O-N 3.39Å; L111-K114 WeakPolarHBondContact O-CB 3.41Å; L111-K114 PolarHBondContact O-N 2.84Å; D112-K114 VanDerWaalsContact C-N 3.25Å; D112-K114 PolarHBondContact O-N 3.28Å |
| 115 | V | 77.3 | Confident | 84.4 | Confident | 52 Ų | 52 | 67.1 Ų | 67.1 | 32% | 0.315 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -69.6 | -48.5 | -179.5 | 179.2 | 0 | 0 | 0 | 0 | 111.2 | I39 L111 D112 K117 K118 W135 | I39-V115 HydrophobicContact CD1-CG1 4.19Å; L111-V115 PolarHBondContact O-N 3.15Å; L111-V115 VanDerWaalsContact O-N 3.15Å; D112-V115 PolarHBondContact O-N 3.3Å; D112-V115 VanDerWaalsContact O-N 3.16Å; V115-K117 PolarHBondContact O-N 2.87Å; V115-K117 VanDerWaalsContact O-N 3.15Å; V115-K118 PolarHBondContact O-N 3.37Å; V115-W135 HydrophobicContact CG1-CE3 4.08Å; V115-W135 HydrophobicContact CG1-CZ3 4.2Å |
| 116 | N | 87 | Confident | 84.4 | Confident | 4 Ų | 4 | 75.1 Ų | 75.1 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.8 | -24.5 | -178.8 | -76.8 | -34.8 | 0 | 0 | 0 | 114 | Y38 I39 D112 Q136 | Y38-N116 HydrophobicContact CD2-CB 4.41Å; Y38-N116 WeakPolarHBondContact CD2-ND2 3.45Å; Y38-N116 VanDerWaalsContact CE2-ND2 3.31Å; Y38-N116 WeakPolarHBondContact CE2-ND2 3.35Å; I39-N116 PolarHBondContact N-OD1 3.11Å; I39-N116 PolarHBondContact O-ND2 2.73Å; D112-N116 VanDerWaalsContact O-CB 3.29Å; D112-N116 WeakPolarHBondContact O-CB 3.4Å; D112-N116 PolarHBondContact O-N 2.73Å; D112-N116 PolarHBondContact O-ND2 3.36Å; D112-N116 VanDerWaalsContact O-ND2 3.1Å; N116-Q136 HydrophobicContact CB-CB 3.96Å; N116-Q136 WeakPolarHBondContact O-CB 3.42Å; N116-Q136 WeakPolarHBondContact O-CG 3.26Å; N116-Q136 PolarHBondContact O-N 2.86Å; N116-Q136 VanDerWaalsContact O-N 3.11Å |
| 117 | K | 89.2 | Confident | 84.2 | Confident | 105 Ų | 105 | 75.3 Ų | 75.3 | 46% | 0.457 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 3.4 | -179.3 | -81.1 | -178.8 | 149.7 | -73.5 | 0 | 115 | R113 V115 | R113-K117 HydrophobicContact CG-CD 4.19Å; R113-K117 WeakPolarHBondContact O-CB 3.32Å; R113-K117 WeakPolarHBondContact O-CG 3.39Å; V115-K117 PolarHBondContact O-N 2.87Å; V115-K117 VanDerWaalsContact O-N 3.15Å |
| 118 | K | 85.1 | Confident | 84.5 | Confident | 71 Ų | 71 | 75 Ų | 75 | 31% | 0.309 | 36% | 0.359 | S | S | . | . | trans | -59.1 | 141.8 | 171.9 | -79.5 | -172.4 | 169.1 | -166.1 | 0 | 110.3 | V115 Q134 W135 I151 | V115-K118 PolarHBondContact O-N 3.37Å; K118-Q134 CarbonylContact O-C 3.19Å; K118-Q134 WeakPolarHBondContact O-CA 3.38Å; K118-W135 HydrophobicContact CB-CB 4.37Å; K118-W135 HydrophobicContact CB-CD2 3.66Å; K118-W135 HydrophobicContact CB-CE3 4.38Å; K118-W135 HydrophobicContact CB-CG 3.61Å; K118-W135 HydrophobicContact CB-CZ2 4.36Å; K118-W135 HydrophobicContact CD-CD2 3.94Å; K118-W135 HydrophobicContact CD-CE3 4.06Å; K118-W135 HydrophobicContact CD-CH2 3.7Å; K118-W135 HydrophobicContact CD-CZ2 3.51Å; K118-W135 HydrophobicContact CD-CZ3 3.95Å; K118-W135 HydrophobicContact CG-CD2 4.39Å; K118-W135 PolarHBondContact O-N 2.97Å; K118-I151 VanDerWaalsContact NZ-CD1 3.31Å | ||
| 119 | P | 92.4 | Very high | 85.2 | Confident | 88 Ų | 88 | 76.2 Ų | 76.2 | 57% | 0.571 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 161.3 | 173.8 | 32.2 | -35.2 | 0 | 0 | 0 | 112 | I132 D133 W135 | P119-I132 HydrophobicContact CB-CG2 3.58Å; P119-D133 CarbonylContact C-O 3.59Å; P119-D133 WeakPolarHBondContact CA-O 3.15Å; P119-W135 VanDerWaalsContact O-CD1 3.25Å; P119-W135 PolarHBondContact O-NE1 2.87Å |
| 120 | C | 91.4 | Very high | 85.5 | Confident | 11 Ų | 11 | 73.8 Ų | 73.8 | 7% | 0.074 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 145.8 | 170.8 | -163.6 | 0 | 0 | 0 | 0 | 109.4 | I132 D133 L138 V144 | C120-I132 WeakPolarHBondContact O-CA 3.41Å; C120-D133 PolarHBondContact N-O 3.29Å; C120-D133 PolarHBondContact O-N 2.9Å; C120-L138 HydrophobicContact CB-CD1 4.49Å; C120-V144 WeakPolarHBondContact SG-CG1 3.43Å |
| 121 | E | 94.6 | Very high | 85.9 | Confident | 53 Ų | 53 | 72.6 Ų | 72.6 | 25% | 0.248 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 121.6 | 173.8 | -78.2 | 177 | -161.7 | 0 | 0 | 111.2 | I132 V144 R145 H147 | E121-I132 HydrophobicContact CG-CG1 4.22Å; E121-V144 WeakPolarHBondContact O-CA 3.43Å; E121-V144 WeakPolarHBondContact O-CG1 3.47Å; E121-R145 HydrophobicContact CB-CB 4Å; E121-R145 PolarHBondContact O-N 3.12Å; E121-R145 WeakPolarHBondContact OE2-CD 3.49Å; E121-H147 IonicContact OE1-CD2 2.69Å; E121-H147 IonicContact OE1-CE1 3.08Å; E121-H147 IonicContact OE1-NE2 2.72Å; E121-H147 PolarHBondContact OE1-NE2 2.78Å; E121-H147 IonicContact OE2-CD2 3.95Å; E121-H147 IonicContact OE2-CE1 2.73Å; E121-H147 IonicContact OE2-NE2 3.81Å; E121-H147 PolarHBondContact OE2-NE2 3.18Å |
| 122 | V | 93.4 | Very high | 87 | Confident | 18 Ų | 18 | 72.9 Ų | 72.9 | 11% | 0.109 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 135.8 | -175.8 | -171.1 | 0 | 0 | 0 | 0 | 109.5 | S124 V131 D133 L138 D142 F143 | V122-S124 PolarHBondContact O-N 2.91Å; V122-V131 PolarHBondContact N-O 3.38Å; V122-V131 PolarHBondContact O-N 3.35Å; V122-D133 HydrophobicContact CG2-CB 4.14Å; V122-L138 HydrophobicContact CG1-CD2 4.35Å; V122-L138 HydrophobicContact CG2-CD2 3.56Å; V122-L138 HydrophobicContact CG2-CG 4.48Å; V122-D142 HydrophobicContact CG1-CB 4.22Å; V122-F143 WeakPolarHBondContact CA-O 3.32Å |
| 123 | Y | 91.8 | Very high | 87.6 | Confident | 17 Ų | 17 | 75.5 Ų | 75.5 | 7% | 0.067 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 120.6 | -179.1 | -169.4 | -104.9 | 0 | 0 | 0 | 111.8 | N128 Y130 F143 P198 L199 | Y123-N128 PolarHBondContact OH-O 2.87Å; Y123-N128 PolarHBondContact OH-OD1 3.11Å; Y123-Y130 HydrophobicContact CD2-CD1 4.36Å; Y123-Y130 HydrophobicContact CD2-CD2 4.2Å; Y123-Y130 HydrophobicContact CD2-CE1 4.23Å; Y123-Y130 HydrophobicContact CD2-CE2 4.07Å; Y123-Y130 HydrophobicContact CD2-CG 4.35Å; Y123-Y130 HydrophobicContact CG-CE1 4.5Å; Y123-F143 PolarHBondContact N-O 3.47Å; Y123-P198 HydrophobicContact CD1-CB 3.77Å; Y123-P198 HydrophobicContact CD1-CG 4.2Å; Y123-P198 HydrophobicContact CD2-CB 4.32Å; Y123-P198 HydrophobicContact CD2-CG 3.84Å; Y123-P198 HydrophobicContact CE1-CB 3.91Å; Y123-P198 HydrophobicContact CE1-CG 4.41Å; Y123-P198 HydrophobicContact CE2-CB 4.46Å; Y123-P198 HydrophobicContact CE2-CG 4.09Å; Y123-P198 HydrophobicContact CG-CB 3.97Å; Y123-P198 HydrophobicContact CG-CG 3.9Å; Y123-L199 HydrophobicContact CE1-CD2 4.26Å |
| 124 | S | 87.3 | Confident | 88 | Confident | 32 Ų | 32 | 72 Ų | 72 | 22% | 0.224 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 119.5 | 175.3 | 176.4 | 0 | 0 | 0 | 0 | 110.4 | V122 Q126 E127 N128 Q129 | V122-S124 PolarHBondContact O-N 2.91Å; S124-Q126 PolarHBondContact O-N 3.06Å; S124-Q126 PolarHBondContact OG-N 3.46Å; S124-E127 PolarHBondContact O-N 3.15Å; S124-E127 PolarHBondContact OG-N 3.28Å; S124-N128 WeakPolarHBondContact O-CA 3.45Å; S124-N128 PolarHBondContact O-N 2.81Å; S124-Q129 PolarHBondContact N-O 2.79Å; S124-Q129 PolarHBondContact O-N 3.02Å |
| 125 | I | 81.4 | Confident | 88.4 | Confident | 53 Ų | 53 | 65 Ų | 65 | 27% | 0.272 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -31.7 | 176.7 | -57 | 168.9 | 0 | 0 | 0 | 111.2 | I20 T21 D24 | I20-I125 HydrophobicContact CG1-CD1 4.15Å; I20-I125 HydrophobicContact CG2-CD1 4.31Å; T21-I125 HydrophobicContact CG2-CD1 4.19Å; T21-I125 HydrophobicContact CG2-CG1 4.21Å; D24-I125 HydrophobicContact CB-CD1 4.2Å |
| 126 | Q | 80 | Confident | 89.1 | Confident | 183 Ų | 183 | 65 Ų | 65 | 86% | 0.855 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -34.5 | -177.6 | -63 | 178.8 | 5.6 | 0 | 0 | 112.5 | S124 | S124-Q126 PolarHBondContact O-N 3.06Å; S124-Q126 PolarHBondContact OG-N 3.46Å |
| 127 | E | 80.5 | Confident | 89.3 | Confident | 117 Ų | 117 | 68.3 Ų | 68.3 | 55% | 0.547 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -8.5 | 179.1 | -61.6 | -77.2 | 154.2 | 0 | 0 | 111.9 | S124 Q129 V131 | S124-E127 PolarHBondContact O-N 3.15Å; S124-E127 PolarHBondContact OG-N 3.28Å; E127-Q129 HydrophobicContact CB-CG 3.76Å; E127-Q129 WeakPolarHBondContact O-CG 3.44Å; E127-Q129 PolarHBondContact O-N 3.1Å; E127-Q129 VanDerWaalsContact O-N 3.1Å; E127-Q129 PolarHBondContact OE2-NE2 2.85Å; E127-V131 HydrophobicContact CB-CG2 4.07Å; E127-V131 HydrophobicContact CG-CG2 4.1Å |
| 128 | N | 84.5 | Confident | 89.4 | Confident | 101 Ų | 101 | 63.4 Ų | 63.4 | 54% | 0.54 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 17.2 | -174.1 | -158.7 | 52.8 | 0 | 0 | 0 | 115.7 | Y123 S124 | Y123-N128 PolarHBondContact OH-O 2.87Å; Y123-N128 PolarHBondContact OH-OD1 3.11Å; S124-N128 WeakPolarHBondContact O-CA 3.45Å; S124-N128 PolarHBondContact O-N 2.81Å |
| 129 | Q | 89.3 | Confident | 89.7 | Confident | 106 Ų | 106 | 66 Ų | 66 | 50% | 0.495 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 169.7 | -172.2 | 66.2 | -173.8 | -36.6 | 0 | 0 | 112.1 | S124 E127 V131 | S124-Q129 PolarHBondContact N-O 2.79Å; S124-Q129 PolarHBondContact O-N 3.02Å; E127-Q129 HydrophobicContact CB-CG 3.76Å; E127-Q129 WeakPolarHBondContact O-CG 3.44Å; E127-Q129 PolarHBondContact O-N 3.1Å; E127-Q129 VanDerWaalsContact O-N 3.1Å; E127-Q129 PolarHBondContact OE2-NE2 2.85Å; Q129-V131 HydrophobicContact CG-CG2 4.07Å |
| 130 | Y | 89.9 | Confident | 89.6 | Confident | 44 Ų | 44 | 62 Ų | 62 | 17% | 0.173 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 125.3 | 169.4 | -69.5 | -84.6 | 0 | 0 | 0 | 110.3 | Y123 R145 P198 I249 | Y123-Y130 HydrophobicContact CD2-CD1 4.36Å; Y123-Y130 HydrophobicContact CD2-CD2 4.2Å; Y123-Y130 HydrophobicContact CD2-CE1 4.23Å; Y123-Y130 HydrophobicContact CD2-CE2 4.07Å; Y123-Y130 HydrophobicContact CD2-CG 4.35Å; Y123-Y130 HydrophobicContact CG-CE1 4.5Å; Y130-R145 HydrophobicContact CD1-CB 3.78Å; Y130-R145 HydrophobicContact CE1-CB 3.84Å; Y130-R145 HydrophobicContact CG-CB 4.23Å; Y130-P198 VanDerWaalsContact OH-CG 3.27Å; Y130-P198 WeakPolarHBondContact OH-CG 3.3Å; Y130-I249 VanDerWaalsContact OH-CG2 3.25Å; Y130-I249 WeakPolarHBondContact OH-CG2 3.33Å |
| 131 | V | 92.8 | Very high | 89.5 | Confident | 58 Ų | 58 | 61.5 Ų | 61.5 | 35% | 0.352 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 142.7 | -178.5 | -176.3 | 0 | 0 | 0 | 0 | 108.9 | V122 E127 Q129 D133 | V122-V131 PolarHBondContact N-O 3.38Å; V122-V131 PolarHBondContact O-N 3.35Å; E127-V131 HydrophobicContact CB-CG2 4.07Å; E127-V131 HydrophobicContact CG-CG2 4.1Å; Q129-V131 HydrophobicContact CG-CG2 4.07Å; V131-D133 PolarHBondContact O-N 2.96Å |
| 132 | I | 93.3 | Very high | 89.4 | Confident | 117 Ų | 117 | 59.7 Ų | 59.7 | 60% | 0.6 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 113.3 | 177.6 | -56.5 | 174.9 | 0 | 0 | 0 | 109.6 | P119 C120 E121 | P119-I132 HydrophobicContact CB-CG2 3.58Å; C120-I132 WeakPolarHBondContact O-CA 3.41Å; E121-I132 HydrophobicContact CG-CG1 4.22Å |
| 133 | D | 92 | Very high | 89.4 | Confident | 59 Ų | 59 | 58.9 Ų | 58.9 | 32% | 0.316 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 173.2 | 172.9 | -162.7 | 12.3 | 0 | 0 | 0 | 111.7 | P119 C120 V122 V131 H137 | P119-D133 CarbonylContact C-O 3.59Å; P119-D133 WeakPolarHBondContact CA-O 3.15Å; C120-D133 PolarHBondContact N-O 3.29Å; C120-D133 PolarHBondContact O-N 2.9Å; V122-D133 HydrophobicContact CG2-CB 4.14Å; V131-D133 PolarHBondContact O-N 2.96Å; D133-H137 IonicContact OD1-CE1 3.98Å; D133-H137 IonicContact OD1-CG 2.74Å; D133-H137 IonicContact OD1-ND1 3.42Å; D133-H137 PolarHBondContact OD1-ND1 3.33Å; D133-H137 WeakPolarHBondContact OD2-CB 3.46Å; D133-H137 IonicContact OD2-CG 3.08Å; D133-H137 IonicContact OD2-ND1 3.74Å; D133-H137 PolarHBondContact OD2-ND1 2.94Å |
| 134 | Q | 93.2 | Very high | 89.6 | Confident | 59 Ų | 59 | 58.1 Ų | 58.1 | 28% | 0.276 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 142.1 | -176.5 | -69.5 | 169.3 | 45.4 | 0 | 0 | 111.9 | K118 Q136 H137 | K118-Q134 CarbonylContact O-C 3.19Å; K118-Q134 WeakPolarHBondContact O-CA 3.38Å; Q134-Q136 HydrophobicContact CB-CG 4.11Å; Q134-Q136 PolarHBondContact O-N 3.05Å; Q134-H137 PolarHBondContact O-N 3.08Å |
| 135 | W | 90.2 | Very high | 89.9 | Confident | 18 Ų | 18 | 59.1 Ų | 59.1 | 7% | 0.068 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47 | -35.1 | -179.6 | -85.6 | 30.8 | 0 | 0 | 0 | 114.3 | N37 V115 K118 P119 H137 I151 P153 | N37-W135 VanDerWaalsContact CB-O 3.22Å; N37-W135 WeakPolarHBondContact CB-O 3.27Å; N37-W135 PolarHBondContact ND2-O 2.76Å; V115-W135 HydrophobicContact CG1-CE3 4.08Å; V115-W135 HydrophobicContact CG1-CZ3 4.2Å; K118-W135 HydrophobicContact CB-CB 4.37Å; K118-W135 HydrophobicContact CB-CD2 3.66Å; K118-W135 HydrophobicContact CB-CE3 4.38Å; K118-W135 HydrophobicContact CB-CG 3.61Å; K118-W135 HydrophobicContact CB-CZ2 4.36Å; K118-W135 HydrophobicContact CD-CD2 3.94Å; K118-W135 HydrophobicContact CD-CE3 4.06Å; K118-W135 HydrophobicContact CD-CH2 3.7Å; K118-W135 HydrophobicContact CD-CZ2 3.51Å; K118-W135 HydrophobicContact CD-CZ3 3.95Å; K118-W135 HydrophobicContact CG-CD2 4.39Å; K118-W135 PolarHBondContact O-N 2.97Å; P119-W135 VanDerWaalsContact O-CD1 3.25Å; P119-W135 PolarHBondContact O-NE1 2.87Å; W135-H137 VanDerWaalsContact C-N 3.31Å; W135-H137 PolarHBondContact O-N 2.85Å; W135-I151 HydrophobicContact CH2-CB 4.3Å; W135-I151 HydrophobicContact CH2-CG2 3.9Å; W135-I151 HydrophobicContact CZ2-CB 4.34Å; W135-I151 HydrophobicContact CZ2-CG2 4.41Å; W135-I151 VanDerWaalsContact CZ2-O 3.29Å; W135-I151 WeakPolarHBondContact CZ2-O 3.03Å; W135-P153 HydrophobicContact CD2-CB 3.81Å; W135-P153 HydrophobicContact CE3-CB 4.39Å; W135-P153 HydrophobicContact CG-CB 4.12Å; W135-P153 HydrophobicContact CH2-CB 4.42Å; W135-P153 HydrophobicContact CZ2-CB 3.89Å |
| 136 | Q | 91.8 | Very high | 90.5 | Very high | 52 Ų | 52 | 56.8 Ų | 56.8 | 24% | 0.243 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -19.7 | 179.5 | 60.3 | 172.7 | 31.3 | 0 | 0 | 115.8 | Y38 N116 Q134 | Y38-Q136 HydrophobicContact CD2-CB 4Å; N116-Q136 HydrophobicContact CB-CB 3.96Å; N116-Q136 WeakPolarHBondContact O-CB 3.42Å; N116-Q136 WeakPolarHBondContact O-CG 3.26Å; N116-Q136 PolarHBondContact O-N 2.86Å; N116-Q136 VanDerWaalsContact O-N 3.11Å; Q134-Q136 HydrophobicContact CB-CG 4.11Å; Q134-Q136 PolarHBondContact O-N 3.05Å |
| 137 | H | 91.4 | Very high | 91 | Very high | 72 Ų | 72 | 51.3 Ų | 51.3 | 33% | 0.333 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -28.3 | -175.1 | -62.9 | 156.7 | 0 | 0 | 0 | 113.3 | D133 Q134 W135 R139 | D133-H137 IonicContact OD1-CE1 3.98Å; D133-H137 IonicContact OD1-CG 2.74Å; D133-H137 IonicContact OD1-ND1 3.42Å; D133-H137 PolarHBondContact OD1-ND1 3.33Å; D133-H137 WeakPolarHBondContact OD2-CB 3.46Å; D133-H137 IonicContact OD2-CG 3.08Å; D133-H137 IonicContact OD2-ND1 3.74Å; D133-H137 PolarHBondContact OD2-ND1 2.94Å; Q134-H137 PolarHBondContact O-N 3.08Å; W135-H137 VanDerWaalsContact C-N 3.31Å; W135-H137 PolarHBondContact O-N 2.85Å; H137-R139 WeakPolarHBondContact O-CG 3.31Å; H137-R139 PolarHBondContact O-NE 2.91Å |
| 138 | L | 91.8 | Very high | 91.3 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | trans | -47.1 | 140.7 | 178.1 | -73.4 | 167.8 | 0 | 0 | 0 | 113.2 | N37 C120 V122 D142 V144 P153 V252 | N37-L138 HydrophobicContact CB-CB 3.76Å; N37-L138 WeakPolarHBondContact CB-O 3.42Å; N37-L138 PolarHBondContact N-O 2.8Å; C120-L138 HydrophobicContact CB-CD1 4.49Å; V122-L138 HydrophobicContact CG1-CD2 4.35Å; V122-L138 HydrophobicContact CG2-CD2 3.56Å; V122-L138 HydrophobicContact CG2-CG 4.48Å; L138-D142 WeakPolarHBondContact CA-OD2 3.44Å; L138-V144 HydrophobicContact CD2-CG2 3.72Å; L138-P153 HydrophobicContact CD1-CB 3.73Å; L138-P153 HydrophobicContact CD1-CG 3.76Å; L138-V252 HydrophobicContact CD2-CG2 4.42Å | ||
| 139 | R | 90.6 | Very high | 91.2 | Very high | 126 Ų | 126 | 46 Ų | 46 | 48% | 0.475 | 22% | 0.219 | S | C | . | . | trans | -138.9 | 154 | -175.1 | -45.1 | -172.4 | -176.6 | -176.8 | 3.1 | 111.2 | T36 H137 G141 D142 V252 | T36-R139 HydrophobicContact CG2-CG 4.36Å; H137-R139 WeakPolarHBondContact O-CG 3.31Å; H137-R139 PolarHBondContact O-NE 2.91Å; R139-G141 PolarHBondContact O-N 3.04Å; R139-D142 PolarHBondContact N-OD2 2.91Å; R139-D142 WeakPolarHBondContact O-CB 3.37Å; R139-D142 VanDerWaalsContact O-CG 3.23Å; R139-D142 PolarHBondContact O-N 3.31Å; R139-D142 VanDerWaalsContact O-N 3.15Å; R139-V252 VanDerWaalsContact O-CB 3.31Å; R139-V252 WeakPolarHBondContact O-CB 3.48Å | ||
| 140 | P | 90.6 | Very high | 91.1 | Very high | 4 Ų | 4 | 44.1 Ų | 44.1 | 3% | 0.026 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | 122.3 | 169.4 | -23.7 | 36.5 | 0 | 0 | 0 | 111.3 | I17 Y34 V252 A255 | I17-P140 HydrophobicContact CD1-CB 4.4Å; I17-P140 HydrophobicContact CG2-CB 4.42Å; Y34-P140 HydrophobicContact CD2-CB 4.33Å; P140-V252 CarbonylContact C-O 3.5Å; P140-V252 VanDerWaalsContact CA-O 3.31Å; P140-V252 WeakPolarHBondContact CA-O 3.41Å; P140-A255 HydrophobicContact CG-CB 3.98Å |
| 141 | G | 89.8 | Confident | 90.9 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 111.2 | -15.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115 | Y18 I20 R139 V252 | Y18-G141 VanDerWaalsContact O-CA 3.32Å; Y18-G141 WeakPolarHBondContact O-CA 3.41Å; I20-G141 PolarHBondContact N-O 3.34Å; R139-G141 PolarHBondContact O-N 3.04Å; G141-V252 PolarHBondContact N-O 2.88Å |
| 142 | D | 91.7 | Very high | 90.9 | Very high | 15 Ų | 15 | 41.7 Ų | 41.7 | 8% | 0.08 | 20% | 0.2 | C | C | . | . | trans | -75.5 | 140.9 | 177.7 | -59.1 | -8.8 | 0 | 0 | 0 | 111 | V122 L138 R139 I251 V252 | V122-D142 HydrophobicContact CG1-CB 4.22Å; L138-D142 WeakPolarHBondContact CA-OD2 3.44Å; R139-D142 PolarHBondContact N-OD2 2.91Å; R139-D142 WeakPolarHBondContact O-CB 3.37Å; R139-D142 VanDerWaalsContact O-CG 3.23Å; R139-D142 PolarHBondContact O-N 3.31Å; R139-D142 VanDerWaalsContact O-N 3.15Å; D142-I251 WeakPolarHBondContact O-CA 3.32Å; D142-V252 HydrophobicContact CB-CG2 4.39Å; D142-V252 PolarHBondContact O-N 3.5Å | ||
| 143 | F | 94.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 138.5 | 169.9 | -61.2 | -91.2 | 0 | 0 | 0 | 110.9 | P19 I20 T21 V122 Y123 L159 F196 P198 F201 G250 I251 | P19-F143 HydrophobicContact CB-CE2 3.86Å; P19-F143 HydrophobicContact CB-CZ 3.68Å; I20-F143 HydrophobicContact CG2-CD2 4.02Å; I20-F143 HydrophobicContact CG2-CE2 4.31Å; T21-F143 HydrophobicContact CG2-CE2 4.02Å; V122-F143 WeakPolarHBondContact CA-O 3.32Å; Y123-F143 PolarHBondContact N-O 3.47Å; F143-L159 HydrophobicContact CD1-CD1 3.99Å; F143-L159 HydrophobicContact CE1-CD1 3.73Å; F143-F196 HydrophobicContact CE1-CE1 4.5Å; F143-F196 HydrophobicContact CE1-CZ 4.32Å; F143-P198 HydrophobicContact CB-CB 4.41Å; F143-P198 HydrophobicContact CD1-CB 4.13Å; F143-P198 HydrophobicContact CD2-CB 3.84Å; F143-P198 HydrophobicContact CE1-CB 4.27Å; F143-P198 HydrophobicContact CE2-CB 3.99Å; F143-P198 HydrophobicContact CG-CB 3.89Å; F143-P198 HydrophobicContact CG-CG 4.43Å; F143-P198 HydrophobicContact CZ-CB 4.19Å; F143-F201 HydrophobicContact CE1-CB 4.1Å; F143-F201 AromaticContact CE1-CD1 3.9Å; F143-F201 HydrophobicContact CE1-CD1 3.9Å; F143-F201 HydrophobicContact CE1-CG 4.31Å; F143-F201 HydrophobicContact CZ-CB 4.02Å; F143-F201 AromaticContact CZ-CD1 3.84Å; F143-F201 HydrophobicContact CZ-CD1 3.84Å; F143-F201 HydrophobicContact CZ-CG 4.38Å; F143-G250 CarbonylContact C-O 3.58Å; F143-G250 WeakPolarHBondContact CA-O 3.34Å; F143-I251 HydrophobicContact CD1-CB 4.2Å; F143-I251 HydrophobicContact CE1-CB 4.4Å; F143-I251 HydrophobicContact CE1-CD1 4.35Å; F143-I251 HydrophobicContact CZ-CD1 4.42Å |
| 144 | V | 94.8 | Very high | 90.8 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 135.3 | -171.9 | -176.8 | 0 | 0 | 0 | 0 | 109.8 | C120 E121 L138 L146 I156 I249 G250 V252 | C120-V144 WeakPolarHBondContact SG-CG1 3.43Å; E121-V144 WeakPolarHBondContact O-CA 3.43Å; E121-V144 WeakPolarHBondContact O-CG1 3.47Å; L138-V144 HydrophobicContact CD2-CG2 3.72Å; V144-L146 HydrophobicContact CG1-CD2 3.9Å; V144-L146 HydrophobicContact CG1-CG 4.05Å; V144-I156 HydrophobicContact CB-CD1 4.16Å; V144-I156 HydrophobicContact CG1-CD1 4.18Å; V144-I156 HydrophobicContact CG2-CD1 4.35Å; V144-I249 WeakPolarHBondContact O-CA 3.45Å; V144-G250 PolarHBondContact N-O 3.39Å; V144-G250 PolarHBondContact O-N 3.48Å; V144-V252 HydrophobicContact CG2-CG2 3.66Å |
| 145 | R | 95 | Very high | 90.9 | Very high | 52 Ų | 52 | 30.5 Ų | 30.5 | 20% | 0.196 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 137.7 | 166.7 | -159.7 | 176.3 | -154 | 156.7 | 10.8 | 108.6 | E121 Y130 V248 I249 | E121-R145 HydrophobicContact CB-CB 4Å; E121-R145 PolarHBondContact O-N 3.12Å; E121-R145 WeakPolarHBondContact OE2-CD 3.49Å; Y130-R145 HydrophobicContact CD1-CB 3.78Å; Y130-R145 HydrophobicContact CE1-CB 3.84Å; Y130-R145 HydrophobicContact CG-CB 4.23Å; R145-V248 WeakPolarHBondContact CA-O 3.27Å; R145-I249 HydrophobicContact CG-CG1 4.17Å |
| 146 | L | 93.2 | Very high | 91.1 | Very high | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 141.6 | 175.8 | -59.5 | 173.5 | 0 | 0 | 0 | 108.6 | V144 D150 I152 P153 I156 Y247 V248 | V144-L146 HydrophobicContact CG1-CD2 3.9Å; V144-L146 HydrophobicContact CG1-CG 4.05Å; L146-D150 HydrophobicContact CB-CB 4.17Å; L146-D150 HydrophobicContact CD2-CB 4.28Å; L146-I152 HydrophobicContact CD1-CB 4.34Å; L146-I152 HydrophobicContact CD1-CG1 3.65Å; L146-P153 HydrophobicContact CD2-CG 4.47Å; L146-I156 HydrophobicContact CD1-CD1 4.19Å; L146-Y247 CarbonylContact O-C 3.53Å; L146-Y247 WeakPolarHBondContact O-CA 3.32Å; L146-V248 HydrophobicContact CB-CG2 3.93Å; L146-V248 PolarHBondContact N-O 2.92Å; L146-V248 PolarHBondContact O-N 3.29Å |
| 147 | H | 91.6 | Very high | 91.3 | Very high | 68 Ų | 68 | 27.3 Ų | 27.3 | 32% | 0.315 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 169 | -177.1 | -58.4 | -86.4 | 0 | 0 | 0 | 112.1 | E121 N149 D150 L242 D246 | E121-H147 IonicContact OE1-CD2 2.69Å; E121-H147 IonicContact OE1-CE1 3.08Å; E121-H147 IonicContact OE1-NE2 2.72Å; E121-H147 PolarHBondContact OE1-NE2 2.78Å; E121-H147 IonicContact OE2-CD2 3.95Å; E121-H147 IonicContact OE2-CE1 2.73Å; E121-H147 IonicContact OE2-NE2 3.81Å; E121-H147 PolarHBondContact OE2-NE2 3.18Å; H147-N149 PolarHBondContact O-N 3.46Å; H147-D150 IonicContact CD2-OD2 2.65Å; H147-D150 PolarHBondContact N-OD2 2.69Å; H147-D150 WeakPolarHBondContact O-CB 3.48Å; H147-D150 PolarHBondContact O-N 3.28Å; H147-L242 WeakPolarHBondContact O-CD2 3.24Å; H147-D246 CarbonylContact C-O 3.44Å; H147-D246 WeakPolarHBondContact CA-O 3.33Å |
| 148 | T | 86.1 | Confident | 91.4 | Very high | 33 Ų | 33 | 23.9 Ų | 23.9 | 20% | 0.202 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | 129.6 | 175.8 | -68 | 0 | 0 | 0 | 0 | 111.6 | T245 D246 T563 | T148-T245 PolarHBondContact OG1-O 3.24Å; T148-D246 PolarHBondContact N-O 2.92Å; T148-D246 VanDerWaalsContact OG1-CA 3.3Å; T148-D246 WeakPolarHBondContact OG1-CA 3.48Å; T148-D246 PolarHBondContact OG1-N 2.94Å; T148-T563 HydrophobicContact CG2-CG2 4.32Å |
| 149 | N | 82.5 | Confident | 91.4 | Very high | 74 Ų | 74 | 23.9 Ų | 23.9 | 40% | 0.396 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 4.6 | -174.1 | -51.3 | -53.6 | 0 | 0 | 0 | 116.9 | H147 L242 R243 | H147-N149 PolarHBondContact O-N 3.46Å; N149-L242 WeakPolarHBondContact CA-O 3.33Å; N149-L242 PolarHBondContact N-O 2.81Å; N149-R243 WeakPolarHBondContact OD1-CD 3.45Å; N149-R243 PolarHBondContact OD1-NH1 2.69Å |
| 150 | D | 86.3 | Confident | 91.4 | Very high | 66 Ų | 66 | 18.4 Ų | 18.4 | 35% | 0.353 | 10% | 0.095 | S | C | . | . | P | Polyproline II helix | trans | -67.6 | 141.7 | 171.4 | -88.9 | -36.3 | 0 | 0 | 0 | 112.3 | L146 H147 V241 L242 | L146-D150 HydrophobicContact CB-CB 4.17Å; L146-D150 HydrophobicContact CD2-CB 4.28Å; H147-D150 IonicContact CD2-OD2 2.65Å; H147-D150 PolarHBondContact N-OD2 2.69Å; H147-D150 WeakPolarHBondContact O-CB 3.48Å; H147-D150 PolarHBondContact O-N 3.28Å; D150-V241 WeakPolarHBondContact O-CA 3.46Å; D150-L242 PolarHBondContact O-N 3.02Å |
| 151 | I | 86.2 | Confident | 91.3 | Very high | 51 Ų | 51 | 19.1 Ų | 19.1 | 26% | 0.262 | 10% | 0.099 | S | C | . | . | B | Isolated β-bridge | trans | -86.2 | 120.3 | 172 | -59.8 | 163 | 0 | 0 | 0 | 108.4 | K118 W135 C240 V241 | K118-I151 VanDerWaalsContact NZ-CD1 3.31Å; W135-I151 HydrophobicContact CH2-CB 4.3Å; W135-I151 HydrophobicContact CH2-CG2 3.9Å; W135-I151 HydrophobicContact CZ2-CB 4.34Å; W135-I151 HydrophobicContact CZ2-CG2 4.41Å; W135-I151 VanDerWaalsContact CZ2-O 3.29Å; W135-I151 WeakPolarHBondContact CZ2-O 3.03Å; I151-C240 WeakPolarHBondContact CA-O 3.3Å; I151-V241 HydrophobicContact CG1-CG2 4.27Å |
| 152 | I | 92.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | P | Polyproline II helix | trans | -61.2 | 121.2 | -177 | -71.6 | 150.1 | 0 | 0 | 0 | 110.2 | L146 A154 I156 I170 L236 L237 R238 G239 C240 | L146-I152 HydrophobicContact CD1-CB 4.34Å; L146-I152 HydrophobicContact CD1-CG1 3.65Å; I152-A154 WeakPolarHBondContact CG2-O 3.36Å; I152-I156 HydrophobicContact CG2-CD1 4.42Å; I152-I170 HydrophobicContact CD1-CB 4.48Å; I152-I170 HydrophobicContact CD1-CG2 3.79Å; I152-L236 HydrophobicContact CD1-CB 3.97Å; I152-L236 HydrophobicContact CG1-CB 4.43Å; I152-L236 HydrophobicContact CG2-CB 4.23Å; I152-L237 VanDerWaalsContact CG2-O 3.25Å; I152-L237 WeakPolarHBondContact CG2-O 3.45Å; I152-R238 WeakPolarHBondContact O-CA 3.36Å; I152-G239 PolarHBondContact O-N 3.35Å; I152-C240 HydrophobicContact CD1-CB 3.66Å; I152-C240 PolarHBondContact N-O 2.99Å |
| 153 | P | 91.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -84.2 | -20.4 | -163.2 | 33.6 | -40 | 0 | 0 | 0 | 114.6 | N37 W135 L138 L146 I156 R238 | N37-P153 PolarHBondContact ND2-O 3.1Å; N37-P153 PolarHBondContact OD1-O 3.48Å; W135-P153 HydrophobicContact CD2-CB 3.81Å; W135-P153 HydrophobicContact CE3-CB 4.39Å; W135-P153 HydrophobicContact CG-CB 4.12Å; W135-P153 HydrophobicContact CH2-CB 4.42Å; W135-P153 HydrophobicContact CZ2-CB 3.89Å; L138-P153 HydrophobicContact CD1-CB 3.73Å; L138-P153 HydrophobicContact CD1-CG 3.76Å; L146-P153 HydrophobicContact CD2-CG 4.47Å; P153-I156 HydrophobicContact CG-CD1 4.08Å; P153-R238 PolarHBondContact O-NE 2.64Å; P153-R238 VanDerWaalsContact O-NE 3.16Å; P153-R238 PolarHBondContact O-NH2 2.92Å | ||
| 154 | A | 93.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -157.2 | 173.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | I152 I156 V252 | I152-A154 WeakPolarHBondContact CG2-O 3.36Å; A154-I156 PolarHBondContact O-N 3.11Å; A154-V252 HydrophobicContact CB-CG1 3.92Å; A154-V252 HydrophobicContact CB-CG2 4.5Å |
| 155 | D | 94 | Very high | 88.4 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 118.9 | 173.7 | -63.2 | -19 | 0 | 0 | 0 | 108.7 | M235 L237 R238 I253 Y254 T259 K260 | D155-M235 HydrophobicContact CB-CE 4.04Å; D155-L237 HydrophobicContact CB-CD2 4.35Å; D155-R238 PolarHBondContact OD1-N 2.68Å; D155-I253 PolarHBondContact O-N 2.87Å; D155-Y254 HydrophobicContact CB-CD2 4.14Å; D155-Y254 PolarHBondContact N-O 3.22Å; D155-Y254 VanDerWaalsContact N-O 3.08Å; D155-Y254 PolarHBondContact O-N 3.11Å; D155-T259 HydrophobicContact CB-CG2 4.39Å; D155-T259 WeakPolarHBondContact OD2-CA 3.41Å; D155-K260 PolarHBondContact OD2-N 2.85Å |
| 156 | I | 94.9 | Very high | 87.6 | Confident | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 138.8 | -167.7 | -70.1 | 169.5 | 0 | 0 | 0 | 109.9 | V144 L146 I152 P153 A154 L236 I251 V252 | V144-I156 HydrophobicContact CB-CD1 4.16Å; V144-I156 HydrophobicContact CG1-CD1 4.18Å; V144-I156 HydrophobicContact CG2-CD1 4.35Å; L146-I156 HydrophobicContact CD1-CD1 4.19Å; I152-I156 HydrophobicContact CG2-CD1 4.42Å; P153-I156 HydrophobicContact CG-CD1 4.08Å; A154-I156 PolarHBondContact O-N 3.11Å; I156-L236 HydrophobicContact CB-CB 4.3Å; I156-L236 HydrophobicContact CG2-CD1 4.41Å; I156-L236 PolarHBondContact N-O 2.79Å; I156-L236 PolarHBondContact O-N 3.28Å; I156-L236 VanDerWaalsContact O-O 3.14Å; I156-I251 CarbonylContact C-O 3.53Å; I156-I251 WeakPolarHBondContact CA-O 3.48Å; I156-V252 HydrophobicContact CG1-CG2 4.08Å |
| 157 | L | 94.9 | Very high | 87.1 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 122.9 | 168.9 | 179.9 | 65.2 | 0 | 0 | 0 | 109.7 | L159 I187 I205 I230 N234 M235 G250 I251 I253 | L157-L159 HydrophobicContact CD2-CD2 4.32Å; L157-L159 HydrophobicContact CG-CD2 4.34Å; L157-I187 HydrophobicContact CD1-CD1 4.01Å; L157-I187 HydrophobicContact CD2-CD1 3.92Å; L157-I187 HydrophobicContact CG-CD1 4.07Å; L157-I205 HydrophobicContact CD2-CD1 3.83Å; L157-I205 HydrophobicContact CD2-CG2 4.45Å; L157-I230 HydrophobicContact CD1-CG2 3.44Å; L157-I230 VanDerWaalsContact CD1-CG2 3.44Å; L157-I230 HydrophobicContact CD2-CD1 3.88Å; L157-N234 HydrophobicContact CD1-CB 3.71Å; L157-M235 HydrophobicContact CB-SD 4.1Å; L157-M235 HydrophobicContact CD1-SD 3.97Å; L157-G250 CarbonylContact O-C 3.57Å; L157-G250 WeakPolarHBondContact O-CA 3.44Å; L157-I251 HydrophobicContact CB-CG2 3.85Å; L157-I251 HydrophobicContact CD2-CG2 4.15Å; L157-I251 HydrophobicContact CG-CG2 4.4Å; L157-I251 PolarHBondContact N-O 3.32Å; L157-I251 PolarHBondContact O-N 3.02Å; L157-I253 HydrophobicContact CB-CD1 3.87Å; L157-I253 HydrophobicContact CB-CG1 3.7Å; L157-I253 HydrophobicContact CD2-CD1 4.29Å |
| 158 | L | 94.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 126.4 | 177.9 | -179.7 | 62.8 | 0 | 0 | 0 | 110.6 | A160 C168 R184 I186 N234 L236 V248 | L158-A160 WeakPolarHBondContact CD1-O 3.32Å; L158-C168 VanDerWaalsContact CD2-SG 3.57Å; L158-R184 HydrophobicContact CD2-CB 4.15Å; L158-I186 HydrophobicContact CD2-CG2 4.32Å; L158-I186 HydrophobicContact CG-CG2 4.08Å; L158-N234 VanDerWaalsContact CB-O 3.32Å; L158-N234 WeakPolarHBondContact CB-O 3.35Å; L158-N234 PolarHBondContact N-O 2.82Å; L158-L236 HydrophobicContact CB-CG 4.35Å; L158-L236 HydrophobicContact CD1-CD1 4.41Å; L158-V248 HydrophobicContact CD1-CB 3.86Å; L158-V248 HydrophobicContact CD1-CG1 3.98Å |
| 159 | L | 91.2 | Very high | 86.8 | Confident | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | -41.6 | 179.6 | -60.6 | 179.4 | 0 | 0 | 0 | 111.9 | F143 L157 I187 L190 F196 F201 I249 I251 | F143-L159 HydrophobicContact CD1-CD1 3.99Å; F143-L159 HydrophobicContact CE1-CD1 3.73Å; L157-L159 HydrophobicContact CD2-CD2 4.32Å; L157-L159 HydrophobicContact CG-CD2 4.34Å; L159-I187 HydrophobicContact CD2-CD1 4.35Å; L159-L190 HydrophobicContact CD2-CD2 3.88Å; L159-F196 HydrophobicContact CB-CE1 4.27Å; L159-F196 HydrophobicContact CB-CE2 4.19Å; L159-F196 HydrophobicContact CB-CZ 3.95Å; L159-F196 HydrophobicContact CD1-CE1 4.22Å; L159-F196 HydrophobicContact CD1-CZ 3.71Å; L159-F196 HydrophobicContact CG-CZ 4.46Å; L159-F201 HydrophobicContact CD1-CD1 4.4Å; L159-F201 HydrophobicContact CD1-CG 4.45Å; L159-F201 HydrophobicContact CD2-CE2 4.49Å; L159-I249 PolarHBondContact N-O 3.16Å; L159-I251 HydrophobicContact CD1-CB 4.03Å; L159-I251 HydrophobicContact CD1-CG2 3.82Å; L159-I251 HydrophobicContact CD2-CG2 4.31Å; L159-I251 HydrophobicContact CG-CG2 4.19Å |
| 160 | A | 90.4 | Very high | 87 | Confident | 11 Ų | 11 | 24.7 Ų | 24.7 | 9% | 0.091 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 162 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L158 F196 I249 | L158-A160 WeakPolarHBondContact CD1-O 3.32Å; A160-F196 HydrophobicContact CB-CB 3.51Å; A160-F196 HydrophobicContact CB-CD1 4.19Å; A160-F196 HydrophobicContact CB-CD2 4.44Å; A160-F196 HydrophobicContact CB-CG 3.79Å; A160-I249 HydrophobicContact CB-CB 4.34Å; A160-I249 PolarHBondContact N-O 2.81Å; A160-I249 PolarHBondContact O-N 2.95Å |
| 161 | T | 89.3 | Confident | 86.6 | Confident | 19 Ų | 19 | 22.6 Ų | 22.6 | 12% | 0.117 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 153.6 | -178.9 | 172.3 | 0 | 0 | 0 | 0 | 109.7 | N163 G166 I186 T245 | T161-N163 HydrophobicContact CG2-CB 4.27Å; T161-N163 PolarHBondContact O-N 3.49Å; T161-N163 PolarHBondContact OG1-N 3.42Å; T161-G166 VanDerWaalsContact CG2-C 3.46Å; T161-I186 HydrophobicContact CG2-CG2 3.98Å; T161-T245 WeakPolarHBondContact OG1-CG2 3.13Å |
| 162 | S | 85.8 | Confident | 86.1 | Confident | 39 Ų | 39 | 20.2 Ų | 20.2 | 27% | 0.273 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -60.2 | -23.6 | 173.2 | 54.7 | 0 | 0 | 0 | 0 | 113.8 | D246 Y247 | S162-D246 PolarHBondContact OG-N 2.86Å; S162-Y247 PolarHBondContact N-O 2.87Å; S162-Y247 PolarHBondContact OG-N 3.34Å; S162-Y247 PolarHBondContact OG-O 3.45Å |
| 163 | N | 78.9 | Confident | 84.7 | Confident | 49 Ų | 49 | 20.2 Ų | 20.2 | 26% | 0.262 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -77.8 | 120.8 | 178.7 | -179 | -6.8 | 0 | 0 | 0 | 111.6 | T161 T165 G166 I167 | T161-N163 HydrophobicContact CG2-CB 4.27Å; T161-N163 PolarHBondContact O-N 3.49Å; T161-N163 PolarHBondContact OG1-N 3.42Å; N163-T165 PolarHBondContact ND2-OG1 2.94Å; N163-T165 PolarHBondContact O-N 2.9Å; N163-T165 PolarHBondContact OD1-N 2.89Å; N163-T165 PolarHBondContact OD1-OG1 3.42Å; N163-G166 PolarHBondContact O-N 3.31Å; N163-I167 WeakPolarHBondContact CB-O 3.22Å; N163-I167 PolarHBondContact ND2-O 3.22Å |
| 164 | S | 72.9 | Confident | 83.1 | Confident | 126 Ų | 126 | 21.4 Ų | 21.4 | 88% | 0.881 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -16.8 | -179.1 | 60.3 | 0 | 0 | 0 | 0 | 115.2 | G166 | S164-G166 VanDerWaalsContact C-N 3.31Š|
| 165 | T | 71.7 | Confident | 81.7 | Confident | 63 Ų | 63 | 21.6 Ų | 21.6 | 39% | 0.387 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -6.8 | 173.1 | 60.6 | 0 | 0 | 0 | 0 | 113.9 | N163 I167 V969 | N163-T165 PolarHBondContact ND2-OG1 2.94Å; N163-T165 PolarHBondContact O-N 2.9Å; N163-T165 PolarHBondContact OD1-N 2.89Å; N163-T165 PolarHBondContact OD1-OG1 3.42Å; T165-I167 VanDerWaalsContact C-N 3.33Å; T165-V969 HydrophobicContact CG2-CG1 4.43Å; T165-V969 HydrophobicContact CG2-CG2 3.81Å |
| 166 | G | 78.9 | Confident | 80 | Confident | 6 Ų | 6 | 22 Ų | 22 | 6% | 0.062 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 78 | 16.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | T161 N163 S164 I186 | T161-G166 VanDerWaalsContact CG2-C 3.46Å; N163-G166 PolarHBondContact O-N 3.31Å; S164-G166 VanDerWaalsContact C-N 3.31Å; G166-I186 WeakPolarHBondContact O-CG2 3.38Å; G166-I186 PolarHBondContact O-N 2.84Å |
| 167 | I | 83.2 | Confident | 77.9 | Confident | 37 Ų | 37 | 23 Ų | 23 | 19% | 0.19 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 136.6 | -176.4 | -68.2 | 167.4 | 0 | 0 | 0 | 111.3 | N163 T165 Q183 R184 E185 | N163-I167 WeakPolarHBondContact CB-O 3.22Å; N163-I167 PolarHBondContact ND2-O 3.22Å; T165-I167 VanDerWaalsContact C-N 3.33Å; I167-Q183 HydrophobicContact CG2-CG 3.45Å; I167-Q183 VanDerWaalsContact CG2-CG 3.45Å; I167-R184 CarbonylContact C-O 3.54Å; I167-R184 WeakPolarHBondContact CA-O 3.4Å; I167-E185 HydrophobicContact CG1-CG 4.24Å |
| 168 | C | 86.7 | Confident | 76.1 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 164.2 | 164.5 | 75.2 | 0 | 0 | 0 | 0 | 112.3 | L158 R184 L242 T245 V248 | L158-C168 VanDerWaalsContact CD2-SG 3.57Å; C168-R184 PolarHBondContact N-O 3.41Å; C168-R184 PolarHBondContact O-N 3.48Å; C168-L242 HydrophobicContact CB-CD1 4.36Å; C168-T245 WeakPolarHBondContact CA-OG1 3.39Å; C168-T245 HydrophobicContact CB-CG2 3.62Å; C168-T245 WeakPolarHBondContact CB-OG1 3.36Å; C168-V248 HydrophobicContact CB-CG1 3.67Å |
| 169 | H | 84.6 | Confident | 74.2 | Confident | 46 Ų | 46 | 28 Ų | 28 | 21% | 0.213 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 135.5 | 178.8 | -52.5 | 95 | 0 | 0 | 0 | 111.1 | L181 R243 N244 T245 | H169-L181 HydrophobicContact CB-CB 4.35Å; H169-R243 WeakPolarHBondContact CB-O 3.25Å; H169-R243 PolarHBondContact O-N 2.82Å; H169-R243 VanDerWaalsContact O-O 3.05Å; H169-N244 PolarHBondContact ND1-O 2.99Å; H169-T245 PolarHBondContact N-OG1 3.28Å |
| 170 | I | 86 | Confident | 73 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 139.2 | 171.7 | 64.2 | 174.9 | 0 | 0 | 0 | 111.7 | I152 T172 K182 R184 L236 C240 V241 L242 | I152-I170 HydrophobicContact CD1-CB 4.48Å; I152-I170 HydrophobicContact CD1-CG2 3.79Å; I170-T172 HydrophobicContact CD1-CG2 4Å; I170-T172 HydrophobicContact CG1-CG2 3.92Å; I170-K182 PolarHBondContact N-O 2.82Å; I170-K182 VanDerWaalsContact N-O 3.1Å; I170-K182 PolarHBondContact O-N 3.22Å; I170-R184 HydrophobicContact CD1-CG 3.96Å; I170-R184 HydrophobicContact CG1-CG 3.97Å; I170-L236 HydrophobicContact CD1-CD2 4.5Å; I170-L236 HydrophobicContact CG2-CD2 3.99Å; I170-C240 HydrophobicContact CB-CB 4.29Å; I170-C240 HydrophobicContact CD1-CB 4.06Å; I170-V241 CarbonylContact C-O 3.44Å; I170-V241 WeakPolarHBondContact CA-O 3.5Å; I170-L242 HydrophobicContact CG2-CD1 4.07Å |
| 171 | E | 78.5 | Confident | 72.2 | Confident | 23 Ų | 23 | 30.8 Ų | 30.8 | 11% | 0.107 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 123.2 | 166.4 | -166.9 | -171.9 | 135.9 | 0 | 0 | 108.8 | S173 L181 C240 V241 R243 | E171-S173 WeakPolarHBondContact OE1-CB 3.42Å; E171-S173 PolarHBondContact OE1-OG 3.2Å; E171-L181 HydrophobicContact CB-CD2 4.18Å; E171-C240 VanDerWaalsContact O-CA 3.26Å; E171-C240 WeakPolarHBondContact O-CA 3.39Å; E171-C240 VanDerWaalsContact O-CB 3.32Å; E171-C240 WeakPolarHBondContact O-CB 3.3Å; E171-V241 HydrophobicContact CB-CB 4.26Å; E171-V241 PolarHBondContact N-O 3.4Å; E171-V241 PolarHBondContact O-N 3.19Å; E171-R243 HydrophobicContact CB-CG 4.07Å; E171-R243 IonicContact OE1-NH2 3.12Å; E171-R243 IonicContact OE2-CZ 3.2Å; E171-R243 IonicContact OE2-NE 3.52Å; E171-R243 PolarHBondContact OE2-NE 3.42Å; E171-R243 IonicContact OE2-NH2 3.48Å; E171-R243 PolarHBondContact OE2-NH2 3Å |
| 172 | T | 75.2 | Confident | 71.6 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | trans | -106.5 | 10.8 | -178.2 | 63.7 | 0 | 0 | 0 | 0 | 113.5 | I170 N174 L175 D176 K182 | I170-T172 HydrophobicContact CD1-CG2 4Å; I170-T172 HydrophobicContact CG1-CG2 3.92Å; T172-N174 PolarHBondContact O-N 2.85Å; T172-L175 WeakPolarHBondContact O-CA 3.4Å; T172-L175 PolarHBondContact O-N 2.82Å; T172-D176 WeakPolarHBondContact CB-OD1 3.41Å; T172-D176 WeakPolarHBondContact CB-OD2 3.43Å; T172-D176 PolarHBondContact O-N 2.93Å; T172-D176 VanDerWaalsContact OG1-CG 3.23Å; T172-D176 PolarHBondContact OG1-OD1 2.58Å; T172-D176 PolarHBondContact OG1-OD2 2.86Å; T172-D176 VanDerWaalsContact OG1-OD2 3.06Å; T172-K182 HydrophobicContact CG2-CB 4.27Å; T172-K182 HydrophobicContact CG2-CD 3.76Å; T172-K182 HydrophobicContact CG2-CG 4.12Å; T172-K182 VanDerWaalsContact OG1-CD 3.31Å; T172-K182 WeakPolarHBondContact OG1-CD 3.43Å; T172-K182 WeakPolarHBondContact OG1-CE 3.37Å; T172-K182 PolarHBondContact OG1-NZ 3.22Å | ||
| 173 | S | 62.5 | Low | 71.4 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -44 | -47.2 | 173.3 | 66.5 | 0 | 0 | 0 | 0 | 112.3 | E171 L175 G177 E178 | E171-S173 WeakPolarHBondContact OE1-CB 3.42Å; E171-S173 PolarHBondContact OE1-OG 3.2Å; S173-L175 PolarHBondContact O-N 3.34Å; S173-G177 VanDerWaalsContact O-CA 3.31Å; S173-G177 WeakPolarHBondContact O-CA 3.46Å; S173-G177 PolarHBondContact O-N 3.12Å; S173-E178 PolarHBondContact N-O 3.13Å |
| 174 | N | 58.8 | Low | 71.8 | Confident | 24 Ų | 24 | 31.7 Ų | 31.7 | 13% | 0.128 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.6 | 5.5 | 173.4 | -80.4 | -44 | 0 | 0 | 0 | 116.3 | T172 G239 E1404 Q1408 | T172-N174 PolarHBondContact O-N 2.85Å; N174-G239 WeakPolarHBondContact CB-O 3.44Å; N174-G239 PolarHBondContact ND2-O 2.9Å; N174-G239 VanDerWaalsContact ND2-O 3.14Å; N174-E1404 PolarHBondContact OD1-O 3.29Å; N174-Q1408 VanDerWaalsContact C-CG 3.48Å; N174-Q1408 WeakPolarHBondContact O-CG 3.45Å; N174-Q1408 PolarHBondContact O-NE2 3.49Å |
| 175 | L | 63.9 | Low | 72.5 | Confident | 5 Ų | 5 | 28.7 Ų | 28.7 | 3% | 0.026 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -137.2 | -39.5 | 179.7 | -83.9 | -169.8 | 0 | 0 | 0 | 115.5 | T172 S173 L214 L237 R238 C240 A261 A1385 | T172-L175 WeakPolarHBondContact O-CA 3.4Å; T172-L175 PolarHBondContact O-N 2.82Å; S173-L175 PolarHBondContact O-N 3.34Å; L175-L214 HydrophobicContact CD1-CD2 4.37Å; L175-L214 HydrophobicContact CD2-CD2 4.38Å; L175-L237 HydrophobicContact CD1-CB 3.34Å; L175-L237 HydrophobicContact CD1-CD1 3.9Å; L175-L237 HydrophobicContact CD1-CG 4.28Å; L175-R238 WeakPolarHBondContact CD2-O 3.47Å; L175-C240 WeakPolarHBondContact CD1-SG 3.43Å; L175-A261 HydrophobicContact CD2-CB 3.68Å; L175-A1385 WeakPolarHBondContact O-CB 3.32Å |
| 176 | D | 58.2 | Low | 73.3 | Confident | 9 Ų | 9 | 27.6 Ų | 27.6 | 5% | 0.048 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -121.9 | -11.2 | 179.6 | 44.5 | 48.7 | 0 | 0 | 0 | 113 | T172 E178 K182 Y215 N1386 | T172-D176 WeakPolarHBondContact CB-OD1 3.41Å; T172-D176 WeakPolarHBondContact CB-OD2 3.43Å; T172-D176 PolarHBondContact O-N 2.93Å; T172-D176 VanDerWaalsContact OG1-CG 3.23Å; T172-D176 PolarHBondContact OG1-OD1 2.58Å; T172-D176 PolarHBondContact OG1-OD2 2.86Å; T172-D176 VanDerWaalsContact OG1-OD2 3.06Å; D176-E178 WeakPolarHBondContact OD1-CB 3.38Å; D176-E178 PolarHBondContact OD1-N 3.16Å; D176-K182 IonicContact OD1-NZ 3.48Å; D176-K182 PolarHBondContact OD1-NZ 3.23Å; D176-K182 VanDerWaalsContact OD1-NZ 3.08Å; D176-K182 IonicContact OD2-NZ 3.96Å; D176-K182 PolarHBondContact OD2-NZ 3.12Å; D176-Y215 WeakPolarHBondContact CB-OH 3.08Å; D176-Y215 PolarHBondContact OD2-OH 3.25Å; D176-N1386 PolarHBondContact O-ND2 3.2Å |
| 177 | G | 50.1 | Low | 73.5 | Confident | 21 Ų | 21 | 27.4 Ų | 27.4 | 22% | 0.216 | 14% | 0.142 | C | C | . | . | trans | 76.7 | 23.4 | -176 | 0 | 0 | 0 | 0 | 0 | 113.3 | S173 | S173-G177 VanDerWaalsContact O-CA 3.31Å; S173-G177 WeakPolarHBondContact O-CA 3.46Å; S173-G177 PolarHBondContact O-N 3.12Å | ||
| 178 | E | 58.4 | Low | 72.9 | Confident | 67 Ų | 67 | 30 Ų | 30 | 31% | 0.313 | 16% | 0.161 | S | C | . | . | trans | -104.8 | 113.6 | 175 | -61.8 | 171.9 | -151.6 | 0 | 0 | 110.3 | S173 D176 N180 K182 Y215 | S173-E178 PolarHBondContact N-O 3.13Å; D176-E178 WeakPolarHBondContact OD1-CB 3.38Å; D176-E178 PolarHBondContact OD1-N 3.16Å; E178-N180 PolarHBondContact O-N 3.08Å; E178-N180 VanDerWaalsContact O-N 3.12Å; E178-K182 IonicContact OE1-NZ 2.79Å; E178-K182 WeakPolarHBondContact OE2-CE 3.2Å; E178-K182 IonicContact OE2-NZ 3.84Å; E178-K182 PolarHBondContact OE2-NZ 2.66Å; E178-Y215 PolarHBondContact OE1-OH 2.99Å | ||
| 179 | S | 53.5 | Low | 71.9 | Confident | 40 Ų | 40 | 37.8 Ų | 37.8 | 28% | 0.28 | 20% | 0.203 | S | C | . | . | trans | -58.5 | -19.8 | 175.3 | 55.1 | 0 | 0 | 0 | 0 | 114.2 | L181 E1405 | S179-L181 PolarHBondContact O-N 3.42Å; S179-E1405 WeakPolarHBondContact CA-OE1 3.35Å; S179-E1405 VanDerWaalsContact CB-OE1 3.24Å; S179-E1405 WeakPolarHBondContact CB-OE1 3.39Å; S179-E1405 PolarHBondContact N-OE1 3.43Å | ||
| 180 | N | 65.8 | Low | 71.1 | Confident | 54 Ų | 54 | 37 Ų | 37 | 29% | 0.289 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -69.7 | 124.7 | -171 | -64 | 2.5 | 0 | 0 | 0 | 109.6 | E178 K182 E946 | E178-N180 PolarHBondContact O-N 3.08Å; E178-N180 VanDerWaalsContact O-N 3.12Å; N180-K182 WeakPolarHBondContact O-CG 3.48Å; N180-K182 PolarHBondContact O-N 2.82Å; N180-E946 WeakPolarHBondContact CB-O 3.46Å; N180-E946 PolarHBondContact ND2-O 3.16Å; N180-E946 PolarHBondContact OD1-O 3.2Å |
| 181 | L | 73.6 | Confident | 69.6 | Low | 17 Ų | 17 | 39.3 Ų | 39.3 | 9% | 0.089 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 124.2 | 173.9 | -61.7 | -174 | 0 | 0 | 0 | 109.7 | H169 E171 S179 R243 N244 | H169-L181 HydrophobicContact CB-CB 4.35Å; E171-L181 HydrophobicContact CB-CD2 4.18Å; S179-L181 PolarHBondContact O-N 3.42Å; L181-R243 HydrophobicContact CD1-CB 4.41Å; L181-R243 HydrophobicContact CD2-CB 3.77Å; L181-R243 HydrophobicContact CD2-CG 3.78Å; L181-N244 WeakPolarHBondContact CD1-ND2 3.21Å |
| 182 | K | 75.6 | Confident | 68.3 | Low | 34 Ų | 34 | 44.7 Ų | 44.7 | 15% | 0.148 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 118.9 | -179.3 | -59 | -167.2 | -176.5 | 168.3 | 0 | 110.2 | I170 T172 D176 E178 N180 Y215 | I170-K182 PolarHBondContact N-O 2.82Å; I170-K182 VanDerWaalsContact N-O 3.1Å; I170-K182 PolarHBondContact O-N 3.22Å; T172-K182 HydrophobicContact CG2-CB 4.27Å; T172-K182 HydrophobicContact CG2-CD 3.76Å; T172-K182 HydrophobicContact CG2-CG 4.12Å; T172-K182 VanDerWaalsContact OG1-CD 3.31Å; T172-K182 WeakPolarHBondContact OG1-CD 3.43Å; T172-K182 WeakPolarHBondContact OG1-CE 3.37Å; T172-K182 PolarHBondContact OG1-NZ 3.22Å; D176-K182 IonicContact OD1-NZ 3.48Å; D176-K182 PolarHBondContact OD1-NZ 3.23Å; D176-K182 VanDerWaalsContact OD1-NZ 3.08Å; D176-K182 IonicContact OD2-NZ 3.96Å; D176-K182 PolarHBondContact OD2-NZ 3.12Å; E178-K182 IonicContact OE1-NZ 2.79Å; E178-K182 WeakPolarHBondContact OE2-CE 3.2Å; E178-K182 IonicContact OE2-NZ 3.84Å; E178-K182 PolarHBondContact OE2-NZ 2.66Å; N180-K182 WeakPolarHBondContact O-CG 3.48Å; N180-K182 PolarHBondContact O-N 2.82Å; K182-Y215 PolarHBondContact NZ-OH 3.12Å |
| 183 | Q | 82.5 | Confident | 67.1 | Low | 77 Ų | 77 | 55 Ų | 55 | 36% | 0.36 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 139.9 | 173.6 | -163 | 172.8 | -73.4 | 0 | 0 | 111.5 | I167 E185 | I167-Q183 HydrophobicContact CG2-CG 3.45Å; I167-Q183 VanDerWaalsContact CG2-CG 3.45Å; Q183-E185 PolarHBondContact NE2-OE1 2.68Å |
| 184 | R | 87.4 | Confident | 66.7 | Low | 15 Ų | 15 | 61.2 Ų | 61.2 | 6% | 0.057 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 148.7 | 172.4 | -59.1 | -65.2 | 166.2 | 145.3 | 4 | 109.2 | L158 I167 C168 I170 K232 N233 M235 L236 | L158-R184 HydrophobicContact CD2-CB 4.15Å; I167-R184 CarbonylContact C-O 3.54Å; I167-R184 WeakPolarHBondContact CA-O 3.4Å; C168-R184 PolarHBondContact N-O 3.41Å; C168-R184 PolarHBondContact O-N 3.48Å; I170-R184 HydrophobicContact CD1-CG 3.96Å; I170-R184 HydrophobicContact CG1-CG 3.97Å; R184-K232 PolarHBondContact NH1-O 2.9Å; R184-N233 VanDerWaalsContact CA-O 3.25Å; R184-N233 WeakPolarHBondContact CA-O 3.27Å; R184-N233 VanDerWaalsContact CB-O 3.31Å; R184-N233 WeakPolarHBondContact CB-O 3.46Å; R184-N233 WeakPolarHBondContact CD-O 3.29Å; R184-M235 PolarHBondContact NH1-O 2.89Å; R184-L236 HydrophobicContact CB-CD2 4.05Å; R184-L236 HydrophobicContact CG-CD2 3.94Å |
| 185 | E | 87.3 | Confident | 67.1 | Low | 64 Ų | 64 | 67.4 Ų | 67.4 | 30% | 0.299 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 136.3 | -165.6 | -74.2 | 144.8 | -172.8 | 0 | 0 | 110.9 | I167 Q183 N233 N234 | I167-E185 HydrophobicContact CG1-CG 4.24Å; Q183-E185 PolarHBondContact NE2-OE1 2.68Å; E185-N233 PolarHBondContact N-O 2.98Å; E185-N233 PolarHBondContact OE2-ND2 2.85Å; E185-N234 WeakPolarHBondContact O-CA 3.26Å; E185-N234 PolarHBondContact O-ND2 2.8Å |
| 186 | I | 89 | Confident | 67.7 | Low | 40 Ų | 40 | 68.4 Ų | 68.4 | 21% | 0.205 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 164.5 | 168 | 65.3 | 174.7 | 0 | 0 | 0 | 110.7 | L158 T161 G166 P188 N234 | L158-I186 HydrophobicContact CD2-CG2 4.32Å; L158-I186 HydrophobicContact CG-CG2 4.08Å; T161-I186 HydrophobicContact CG2-CG2 3.98Å; G166-I186 WeakPolarHBondContact O-CG2 3.38Å; G166-I186 PolarHBondContact O-N 2.84Å; I186-P188 WeakPolarHBondContact O-CD 3.36Å; I186-N234 PolarHBondContact O-ND2 2.74Å |
| 187 | I | 82.8 | Confident | 68.7 | Low | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 122.6 | 178.6 | -60.2 | 173.2 | 0 | 0 | 0 | 109.1 | L157 L159 L190 I221 I228 I230 N234 | L157-I187 HydrophobicContact CD1-CD1 4.01Å; L157-I187 HydrophobicContact CD2-CD1 3.92Å; L157-I187 HydrophobicContact CG-CD1 4.07Å; L159-I187 HydrophobicContact CD2-CD1 4.35Å; I187-L190 HydrophobicContact CB-CB 4.21Å; I187-L190 HydrophobicContact CB-CD2 4.18Å; I187-L190 HydrophobicContact CD1-CD2 4.31Å; I187-L190 HydrophobicContact CG2-CB 4.31Å; I187-L190 WeakPolarHBondContact O-CB 3.35Å; I187-L190 PolarHBondContact O-N 3.25Å; I187-I221 HydrophobicContact CD1-CD1 3.49Å; I187-I221 VanDerWaalsContact CD1-CD1 3.49Å; I187-I221 HydrophobicContact CD1-CG1 4.37Å; I187-I228 HydrophobicContact CG2-CG2 3.51Å; I187-I230 HydrophobicContact CD1-CG1 4.41Å; I187-N234 HydrophobicContact CG1-CB 4.22Å |
| 188 | P | 70.6 | Confident | 70.1 | Confident | 91 Ų | 91 | 69.3 Ų | 69.3 | 59% | 0.591 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 146.2 | 179 | -26.4 | 35.4 | 0 | 0 | 0 | 112.6 | I186 L190 | I186-P188 WeakPolarHBondContact O-CD 3.36Å; P188-L190 PolarHBondContact O-N 2.99Å |
| 189 | N | 66.8 | Low | 71.2 | Confident | 163 Ų | 163 | 69.4 Ų | 69.4 | 87% | 0.872 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 13 | 179.8 | -50.7 | -26.9 | 0 | 0 | 0 | 115.6 | ||
| 190 | L | 66.2 | Low | 72.4 | Confident | 30 Ų | 30 | 72.1 Ų | 72.1 | 16% | 0.157 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -98.5 | -27.5 | 178.5 | -157.5 | 77.9 | 0 | 0 | 0 | 113.9 | L159 I187 P188 F201 I221 I228 | L159-L190 HydrophobicContact CD2-CD2 3.88Å; I187-L190 HydrophobicContact CB-CB 4.21Å; I187-L190 HydrophobicContact CB-CD2 4.18Å; I187-L190 HydrophobicContact CD1-CD2 4.31Å; I187-L190 HydrophobicContact CG2-CB 4.31Å; I187-L190 WeakPolarHBondContact O-CB 3.35Å; I187-L190 PolarHBondContact O-N 3.25Å; P188-L190 PolarHBondContact O-N 2.99Å; L190-F201 HydrophobicContact CD1-CE2 4.11Å; L190-F201 HydrophobicContact CD2-CD2 4.1Å; L190-F201 HydrophobicContact CD2-CE2 3.79Å; L190-F201 HydrophobicContact CG-CE2 4.39Å; L190-I221 HydrophobicContact CD1-CD1 4.17Å; L190-I221 HydrophobicContact CD2-CD1 3.97Å; L190-I228 HydrophobicContact CD1-CD1 4.25Å |
| 191 | S | 55.5 | Low | 73.2 | Confident | 49 Ų | 49 | 69.7 Ų | 69.7 | 34% | 0.343 | 36% | 0.364 | S | S | . | . | trans | -107.5 | 120.3 | 174.6 | -161.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 192 | N | 50.5 | Low | 73.6 | Confident | 136 Ų | 136 | 71.7 Ų | 71.7 | 73% | 0.727 | 37% | 0.374 | S | S | * | . | trans | -70.1 | 176.6 | 155.3 | -78.2 | -19.1 | 0 | 0 | 0 | 109.4 | D194 | N192-D194 PolarHBondContact O-N 3.4Š| ||
| 193 | K | 51 | Low | 74 | Confident | 217 Ų | 217 | 73.8 Ų | 73.8 | 94% | 0.943 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -76.1 | 2.9 | -173.5 | -68 | -173.6 | 175.2 | -176.7 | 0 | 115.1 | ||
| 194 | D | 53.2 | Low | 74.2 | Confident | 130 Ų | 130 | 71.4 Ų | 71.4 | 70% | 0.695 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -99.2 | 160.3 | -179.7 | -48.6 | -60.7 | 0 | 0 | 0 | 110.9 | N192 F196 | N192-D194 PolarHBondContact O-N 3.4Å; D194-F196 PolarHBondContact O-N 2.93Å |
| 195 | E | 66.7 | Low | 74.3 | Confident | 154 Ų | 154 | 70.7 Ų | 70.7 | 72% | 0.72 | 37% | 0.371 | S | S | * | . | trans | -60.4 | 130.4 | -172.9 | -168 | 176.5 | -171.9 | 0 | 0 | 112.8 | S197 | E195-S197 PolarHBondContact O-N 3.37Å; E195-S197 VanDerWaalsContact O-N 3.12Å | ||
| 196 | F | 76.8 | Confident | 74.4 | Confident | 26 Ų | 26 | 69.2 Ų | 69.2 | 11% | 0.114 | 36% | 0.363 | C | S | . | . | trans | -67.4 | 111.1 | -174.9 | 176.5 | -91 | 0 | 0 | 0 | 112.1 | F143 L159 A160 D194 P198 F201 I249 | F143-F196 HydrophobicContact CE1-CE1 4.5Å; F143-F196 HydrophobicContact CE1-CZ 4.32Å; L159-F196 HydrophobicContact CB-CE1 4.27Å; L159-F196 HydrophobicContact CB-CE2 4.19Å; L159-F196 HydrophobicContact CB-CZ 3.95Å; L159-F196 HydrophobicContact CD1-CE1 4.22Å; L159-F196 HydrophobicContact CD1-CZ 3.71Å; L159-F196 HydrophobicContact CG-CZ 4.46Å; A160-F196 HydrophobicContact CB-CB 3.51Å; A160-F196 HydrophobicContact CB-CD1 4.19Å; A160-F196 HydrophobicContact CB-CD2 4.44Å; A160-F196 HydrophobicContact CB-CG 3.79Å; D194-F196 PolarHBondContact O-N 2.93Å; F196-P198 HydrophobicContact CE1-CG 4.36Å; F196-F201 HydrophobicContact CE2-CB 4.22Å; F196-F201 HydrophobicContact CZ-CB 3.88Å; F196-F201 HydrophobicContact CZ-CG 4.48Å; F196-I249 HydrophobicContact CD1-CB 4.4Å; F196-I249 HydrophobicContact CD1-CD1 4.35Å; F196-I249 HydrophobicContact CD1-CG2 3.76Å; F196-I249 HydrophobicContact CE1-CG2 3.76Å | ||
| 197 | S | 79.2 | Confident | 74.5 | Confident | 44 Ų | 44 | 67.3 Ų | 67.3 | 31% | 0.308 | 35% | 0.354 | S | S | . | . | trans | -96.3 | 122.2 | 175 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | E195 L199 T200 | E195-S197 PolarHBondContact O-N 3.37Å; E195-S197 VanDerWaalsContact O-N 3.12Å; S197-L199 PolarHBondContact O-N 2.68Å; S197-T200 PolarHBondContact O-N 2.61Å; S197-T200 VanDerWaalsContact O-N 3.07Å; S197-T200 PolarHBondContact O-OG1 3.32Å | ||
| 198 | P | 80.8 | Confident | 74.7 | Confident | 5 Ų | 5 | 68.5 Ų | 68.5 | 3% | 0.032 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -24 | 176.7 | -29.2 | 37.7 | 0 | 0 | 0 | 115 | Y123 Y130 F143 F196 T200 F201 | Y123-P198 HydrophobicContact CD1-CB 3.77Å; Y123-P198 HydrophobicContact CD1-CG 4.2Å; Y123-P198 HydrophobicContact CD2-CB 4.32Å; Y123-P198 HydrophobicContact CD2-CG 3.84Å; Y123-P198 HydrophobicContact CE1-CB 3.91Å; Y123-P198 HydrophobicContact CE1-CG 4.41Å; Y123-P198 HydrophobicContact CE2-CB 4.46Å; Y123-P198 HydrophobicContact CE2-CG 4.09Å; Y123-P198 HydrophobicContact CG-CB 3.97Å; Y123-P198 HydrophobicContact CG-CG 3.9Å; Y130-P198 VanDerWaalsContact OH-CG 3.27Å; Y130-P198 WeakPolarHBondContact OH-CG 3.3Å; F143-P198 HydrophobicContact CB-CB 4.41Å; F143-P198 HydrophobicContact CD1-CB 4.13Å; F143-P198 HydrophobicContact CD2-CB 3.84Å; F143-P198 HydrophobicContact CE1-CB 4.27Å; F143-P198 HydrophobicContact CE2-CB 3.99Å; F143-P198 HydrophobicContact CG-CB 3.89Å; F143-P198 HydrophobicContact CG-CG 4.43Å; F143-P198 HydrophobicContact CZ-CB 4.19Å; F196-P198 HydrophobicContact CE1-CG 4.36Å; P198-T200 VanDerWaalsContact C-N 3.3Å; P198-T200 PolarHBondContact O-N 2.91Å; P198-F201 PolarHBondContact O-N 2.94Å |
| 199 | L | 80.2 | Confident | 75.4 | Confident | 70 Ų | 70 | 66.1 Ų | 66.1 | 37% | 0.366 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -28.7 | 177.5 | -64.9 | 175.3 | 0 | 0 | 0 | 113.5 | T21 Y123 S197 | T21-L199 HydrophobicContact CG2-CD2 4.15Å; Y123-L199 HydrophobicContact CE1-CD2 4.26Å; S197-L199 PolarHBondContact O-N 2.68Å |
| 200 | T | 79.3 | Confident | 76.4 | Confident | 96 Ų | 96 | 60.5 Ų | 60.5 | 59% | 0.589 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -22.9 | -178.9 | 65.1 | 0 | 0 | 0 | 0 | 112.3 | S197 P198 L202 | S197-T200 PolarHBondContact O-N 2.61Å; S197-T200 VanDerWaalsContact O-N 3.07Å; S197-T200 PolarHBondContact O-OG1 3.32Å; P198-T200 VanDerWaalsContact C-N 3.3Å; P198-T200 PolarHBondContact O-N 2.91Å; T200-L202 PolarHBondContact O-N 2.93Å; T200-L202 VanDerWaalsContact O-N 3.07Å |
| 201 | F | 82.4 | Confident | 77.2 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.018 | 32% | 0.321 | C | S | . | . | trans | -81.8 | 88.9 | 177.4 | -170.1 | -93.8 | 0 | 0 | 0 | 111.5 | P19 T21 F143 L159 L190 F196 P198 Y203 I205 I221 I251 | P19-F201 HydrophobicContact CB-CD1 4.07Å; P19-F201 HydrophobicContact CB-CE1 4.4Å; P19-F201 HydrophobicContact CG-CD1 4.15Å; P19-F201 HydrophobicContact CG-CE1 4.3Å; P19-F201 VanDerWaalsContact CG-O 3.32Å; P19-F201 WeakPolarHBondContact CG-O 3.38Å; T21-F201 PolarHBondContact OG1-O 3.25Å; F143-F201 HydrophobicContact CE1-CB 4.1Å; F143-F201 AromaticContact CE1-CD1 3.9Å; F143-F201 HydrophobicContact CE1-CD1 3.9Å; F143-F201 HydrophobicContact CE1-CG 4.31Å; F143-F201 HydrophobicContact CZ-CB 4.02Å; F143-F201 AromaticContact CZ-CD1 3.84Å; F143-F201 HydrophobicContact CZ-CD1 3.84Å; F143-F201 HydrophobicContact CZ-CG 4.38Å; L159-F201 HydrophobicContact CD1-CD1 4.4Å; L159-F201 HydrophobicContact CD1-CG 4.45Å; L159-F201 HydrophobicContact CD2-CE2 4.49Å; L190-F201 HydrophobicContact CD1-CE2 4.11Å; L190-F201 HydrophobicContact CD2-CD2 4.1Å; L190-F201 HydrophobicContact CD2-CE2 3.79Å; L190-F201 HydrophobicContact CG-CE2 4.39Å; F196-F201 HydrophobicContact CE2-CB 4.22Å; F196-F201 HydrophobicContact CZ-CB 3.88Å; F196-F201 HydrophobicContact CZ-CG 4.48Å; P198-F201 PolarHBondContact O-N 2.94Å; F201-Y203 AromaticContact CD2-CD2 3.89Å; F201-Y203 HydrophobicContact CD2-CD2 3.89Å; F201-Y203 WeakPolarHBondContact CE1-O 3.41Å; F201-Y203 AromaticContact CE2-CD2 3.82Å; F201-Y203 HydrophobicContact CE2-CD2 3.82Å; F201-I205 HydrophobicContact CE1-CD1 4.12Å; F201-I205 HydrophobicContact CE1-CG1 4.36Å; F201-I205 HydrophobicContact CZ-CD1 4.23Å; F201-I205 HydrophobicContact CZ-CG1 4.26Å; F201-I221 HydrophobicContact CE2-CD1 3.94Å; F201-I221 HydrophobicContact CE2-CG2 4.36Å; F201-I221 HydrophobicContact CZ-CD1 3.96Å; F201-I221 HydrophobicContact CZ-CG2 4.24Å; F201-I251 HydrophobicContact CE1-CD1 4.36Å | ||
| 202 | L | 81.1 | Confident | 78.1 | Confident | 59 Ų | 59 | 60.1 Ų | 60.1 | 31% | 0.309 | 32% | 0.322 | S | S | . | . | trans | -106.7 | 11.4 | -178.7 | -64.2 | 176.6 | 0 | 0 | 0 | 113.5 | L22 L25 T200 | L22-L202 HydrophobicContact CB-CD2 4.19Å; L22-L202 HydrophobicContact CD1-CB 4.13Å; L22-L202 HydrophobicContact CD1-CD2 4.44Å; L25-L202 HydrophobicContact CD1-CD1 4.46Å; L25-L202 HydrophobicContact CD1-CD2 3.84Å; T200-L202 PolarHBondContact O-N 2.93Å; T200-L202 VanDerWaalsContact O-N 3.07Å | ||
| 203 | Y | 84.8 | Confident | 79.2 | Confident | 77 Ų | 77 | 58.9 Ų | 58.9 | 30% | 0.302 | 31% | 0.312 | S | S | . | . | trans | -89.4 | 128.7 | -170.8 | -53.4 | -63.5 | 0 | 0 | 0 | 113 | F201 I221 L223 | F201-Y203 AromaticContact CD2-CD2 3.89Å; F201-Y203 HydrophobicContact CD2-CD2 3.89Å; F201-Y203 WeakPolarHBondContact CE1-O 3.41Å; F201-Y203 AromaticContact CE2-CD2 3.82Å; F201-Y203 HydrophobicContact CE2-CD2 3.82Å; Y203-I221 VanDerWaalsContact CB-CG2 3.46Å; Y203-I221 HydrophobicContact CG-CG2 4.24Å; Y203-L223 HydrophobicContact CD1-CB 4.18Å; Y203-L223 HydrophobicContact CD1-CD2 4.35Å; Y203-L223 HydrophobicContact CD1-CG 3.8Å; Y203-L223 HydrophobicContact CD2-CD2 4.32Å; Y203-L223 HydrophobicContact CD2-CG 4.19Å; Y203-L223 HydrophobicContact CE1-CB 4.25Å; Y203-L223 HydrophobicContact CE1-CD2 4.01Å; Y203-L223 HydrophobicContact CE1-CG 3.92Å; Y203-L223 HydrophobicContact CE2-CD2 3.97Å; Y203-L223 HydrophobicContact CE2-CG 4.3Å; Y203-L223 HydrophobicContact CG-CD2 4.5Å; Y203-L223 HydrophobicContact CG-CG 3.94Å | ||
| 204 | P | 87 | Confident | 80.3 | Confident | 28 Ų | 28 | 50.3 Ų | 50.3 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | trans | -64.3 | 146.6 | 172 | -19.8 | 31.9 | 0 | 0 | 0 | 112.4 | L16 Y18 L22 L222 | L16-P204 HydrophobicContact CD2-CB 3.67Å; Y18-P204 HydrophobicContact CD1-CB 3.8Å; Y18-P204 HydrophobicContact CD1-CG 3.84Å; Y18-P204 HydrophobicContact CE1-CB 3.8Å; Y18-P204 HydrophobicContact CE1-CG 3.84Å; L22-P204 HydrophobicContact CD2-CG 4.17Å; P204-L222 PolarHBondContact O-N 2.75Å | ||
| 205 | I | 90 | Very high | 81.3 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 120 | -178.9 | -47.9 | 174.5 | 0 | 0 | 0 | 108.4 | I17 L157 F201 V207 I230 I251 I253 | I17-I205 HydrophobicContact CB-CB 4.42Å; I17-I205 PolarHBondContact N-O 2.71Å; I17-I205 PolarHBondContact O-N 3.44Å; L157-I205 HydrophobicContact CD2-CD1 3.83Å; L157-I205 HydrophobicContact CD2-CG2 4.45Å; F201-I205 HydrophobicContact CE1-CD1 4.12Å; F201-I205 HydrophobicContact CE1-CG1 4.36Å; F201-I205 HydrophobicContact CZ-CD1 4.23Å; F201-I205 HydrophobicContact CZ-CG1 4.26Å; I205-V207 HydrophobicContact CG2-CG1 3.69Å; I205-I230 HydrophobicContact CG2-CD1 3.55Å; I205-I251 HydrophobicContact CD1-CD1 4.13Å; I205-I251 HydrophobicContact CD1-CG2 3.78Å; I205-I253 HydrophobicContact CD1-CD1 4.06Å; I205-I253 HydrophobicContact CG2-CD1 4.39Å |
| 206 | E | 88.6 | Confident | 81.8 | Confident | 32 Ų | 32 | 46.3 Ų | 46.3 | 15% | 0.15 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 115 | 175.4 | -169.4 | -170.5 | 142.9 | 0 | 0 | 109.7 | T14 R15 L16 G219 K220 L222 | T14-E206 WeakPolarHBondContact CB-OE1 3.35Å; T14-E206 HydrophobicContact CG2-CG 4.32Å; T14-E206 PolarHBondContact OG1-OE1 3.18Å; R15-E206 WeakPolarHBondContact O-CA 3.5Å; L16-E206 HydrophobicContact CD2-CB 4.48Å; L16-E206 HydrophobicContact CG-CB 4.47Å; L16-E206 HydrophobicContact CG-CG 4.49Å; E206-G219 CarbonylContact O-C 3.58Å; E206-G219 WeakPolarHBondContact O-CA 3.26Å; E206-K220 HydrophobicContact CB-CG 3.98Å; E206-K220 PolarHBondContact N-O 2.86Å; E206-K220 PolarHBondContact O-N 2.99Å; E206-K220 VanDerWaalsContact OE1-CE 3.29Å; E206-K220 WeakPolarHBondContact OE1-CE 3.48Å; E206-K220 IonicContact OE1-NZ 2.61Å; E206-K220 PolarHBondContact OE1-NZ 2.6Å; E206-K220 VanDerWaalsContact OE2-CE 3.27Å; E206-K220 WeakPolarHBondContact OE2-CE 3.17Å; E206-K220 IonicContact OE2-NZ 3.81Å; E206-K220 PolarHBondContact OE2-NZ 2.79Å; E206-L222 HydrophobicContact CB-CD1 4.33Å; E206-L222 HydrophobicContact CB-CG 4.49Å |
| 207 | V | 90.1 | Very high | 82.2 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 162.3 | -175.3 | -56.3 | 0 | 0 | 0 | 0 | 112 | T14 R15 I17 I205 F217 I253 Y254 | T14-V207 CarbonylContact C-O 3.58Å; T14-V207 VanDerWaalsContact CA-O 3.23Å; T14-V207 WeakPolarHBondContact CA-O 3.35Å; T14-V207 WeakPolarHBondContact CB-O 3.15Å; R15-V207 HydrophobicContact CB-CG2 3.85Å; R15-V207 HydrophobicContact CG-CG2 4.46Å; R15-V207 PolarHBondContact N-O 3.46Å; R15-V207 PolarHBondContact O-N 2.89Å; I17-V207 HydrophobicContact CD1-CG2 3.94Å; I17-V207 HydrophobicContact CG1-CG2 4.36Å; I205-V207 HydrophobicContact CG2-CG1 3.69Å; V207-F217 HydrophobicContact CB-CE2 4.22Å; V207-F217 HydrophobicContact CB-CZ 4.04Å; V207-F217 HydrophobicContact CG1-CE2 4.39Å; V207-F217 HydrophobicContact CG1-CZ 3.74Å; V207-I253 HydrophobicContact CG1-CG2 4.17Å; V207-I253 HydrophobicContact CG2-CG2 4.14Å; V207-Y254 HydrophobicContact CG2-CE1 4.07Å |
| 208 | E | 87.6 | Confident | 82.4 | Confident | 26 Ų | 26 | 48.7 Ų | 48.7 | 12% | 0.121 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 163.6 | 171.1 | 64.2 | 171.7 | -148.5 | 0 | 0 | 113 | S211 F217 H218 Y254 K260 | E208-S211 PolarHBondContact OE1-OG 2.68Å; E208-F217 HydrophobicContact CG-CD2 4.46Å; E208-H218 PolarHBondContact N-O 3.2Å; E208-Y254 PolarHBondContact O-OH 3.32Å; E208-K260 IonicContact OE1-NZ 2.73Å |
| 209 | A | 85.8 | Confident | 82.6 | Confident | 41 Ų | 41 | 49.2 Ų | 49.2 | 34% | 0.339 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 147 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | S211 | A209-S211 PolarHBondContact O-N 2.68Š|
| 210 | P | 86.9 | Confident | 82.9 | Confident | 46 Ų | 46 | 48.6 Ų | 48.6 | 30% | 0.299 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -50.4 | 127.3 | -179.7 | -27.6 | 34 | 0 | 0 | 0 | 113 | Y254 E258 L263 | P210-Y254 HydrophobicContact CB-CE1 4.46Å; P210-Y254 HydrophobicContact CG-CD1 3.91Å; P210-Y254 HydrophobicContact CG-CE1 3.85Å; P210-E258 HydrophobicContact CB-CB 4.32Å; P210-E258 HydrophobicContact CG-CB 4.06Å; P210-L263 HydrophobicContact CB-CD1 3.81Å |
| 211 | S | 83.6 | Confident | 83.3 | Confident | 24 Ų | 24 | 44 Ų | 44 | 17% | 0.168 | 23% | 0.227 | C | C | . | . | trans | -135.3 | 134.5 | -169.7 | 70.7 | 0 | 0 | 0 | 0 | 111.5 | E208 A209 E213 K260 | E208-S211 PolarHBondContact OE1-OG 2.68Å; A209-S211 PolarHBondContact O-N 2.68Å; S211-E213 PolarHBondContact O-N 3.44Å; S211-K260 WeakPolarHBondContact O-CG 3.23Å; S211-K260 PolarHBondContact O-NZ 3.34Å; S211-K260 PolarHBondContact OG-NZ 3.33Å | ||
| 212 | A | 74.9 | Confident | 83.4 | Confident | 46 Ų | 46 | 45.6 Ų | 45.6 | 38% | 0.38 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -68.8 | -13.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L214 L263 N264 | A212-L214 PolarHBondContact O-N 2.85Å; A212-L263 HydrophobicContact CB-CB 4.19Å; A212-N264 PolarHBondContact O-ND2 3Å; A212-N264 PolarHBondContact O-OD1 2.7Å |
| 213 | E | 74.3 | Confident | 83.5 | Confident | 110 Ų | 110 | 44.7 Ų | 44.7 | 51% | 0.514 | 23% | 0.231 | S | C | . | . | trans | -68.9 | 95.2 | 179.3 | -64.9 | 179.6 | 149 | 0 | 0 | 110.4 | S211 Y215 K216 K260 | S211-E213 PolarHBondContact O-N 3.44Å; E213-Y215 VanDerWaalsContact C-N 3.32Å; E213-Y215 PolarHBondContact O-N 2.98Å; E213-K216 HydrophobicContact CB-CB 4.07Å; E213-K216 HydrophobicContact CB-CD 4.35Å; E213-K216 PolarHBondContact O-N 3Å; E213-K216 VanDerWaalsContact O-O 3.1Å; E213-K216 WeakPolarHBondContact OE2-CD 3.19Å; E213-K216 WeakPolarHBondContact OE2-CE 3.13Å; E213-K216 IonicContact OE2-NZ 3.86Å; E213-K216 PolarHBondContact OE2-NZ 2.97Å; E213-K260 PolarHBondContact O-NZ 3.49Å | ||
| 214 | L | 72.6 | Confident | 83.1 | Confident | 38 Ų | 38 | 46.5 Ų | 46.5 | 20% | 0.199 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -45.3 | -175.5 | -75.7 | 166.9 | 0 | 0 | 0 | 113.4 | L175 A212 K216 L237 K260 | L175-L214 HydrophobicContact CD1-CD2 4.37Å; L175-L214 HydrophobicContact CD2-CD2 4.38Å; A212-L214 PolarHBondContact O-N 2.85Å; L214-K216 VanDerWaalsContact C-N 3.31Å; L214-K216 PolarHBondContact O-N 3.3Å; L214-L237 HydrophobicContact CD2-CD1 4.4Å; L214-K260 HydrophobicContact CD2-CB 4.13Å |
| 215 | Y | 73.8 | Confident | 82.5 | Confident | 110 Ų | 110 | 52.6 Ų | 52.6 | 43% | 0.431 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 1.8 | -172.9 | -66.9 | -54 | 0 | 0 | 0 | 115.2 | D176 E178 K182 E213 | D176-Y215 WeakPolarHBondContact CB-OH 3.08Å; D176-Y215 PolarHBondContact OD2-OH 3.25Å; E178-Y215 PolarHBondContact OE1-OH 2.99Å; K182-Y215 PolarHBondContact NZ-OH 3.12Å; E213-Y215 VanDerWaalsContact C-N 3.32Å; E213-Y215 PolarHBondContact O-N 2.98Å |
| 216 | K | 77.6 | Confident | 81.9 | Confident | 90 Ų | 90 | 57.7 Ų | 57.7 | 39% | 0.391 | 31% | 0.309 | S | S | . | . | trans | -120 | 127.1 | -178.9 | -179.1 | -167.9 | 175.6 | -178.4 | 0 | 109.8 | E213 L214 K260 | E213-K216 HydrophobicContact CB-CB 4.07Å; E213-K216 HydrophobicContact CB-CD 4.35Å; E213-K216 PolarHBondContact O-N 3Å; E213-K216 VanDerWaalsContact O-O 3.1Å; E213-K216 WeakPolarHBondContact OE2-CD 3.19Å; E213-K216 WeakPolarHBondContact OE2-CE 3.13Å; E213-K216 IonicContact OE2-NZ 3.86Å; E213-K216 PolarHBondContact OE2-NZ 2.97Å; L214-K216 VanDerWaalsContact C-N 3.31Å; L214-K216 PolarHBondContact O-N 3.3Å; K216-K260 WeakPolarHBondContact O-CE 3.38Å; K216-K260 PolarHBondContact O-NZ 3.38Å | ||
| 217 | F | 85.2 | Confident | 81.4 | Confident | 6 Ų | 6 | 64.9 Ų | 64.9 | 3% | 0.026 | 34% | 0.335 | C | S | . | . | trans | -155.3 | 128.9 | 171 | 179.3 | -100.2 | 0 | 0 | 0 | 108 | V207 E208 I230 M235 I253 Y254 | V207-F217 HydrophobicContact CB-CE2 4.22Å; V207-F217 HydrophobicContact CB-CZ 4.04Å; V207-F217 HydrophobicContact CG1-CE2 4.39Å; V207-F217 HydrophobicContact CG1-CZ 3.74Å; E208-F217 HydrophobicContact CG-CD2 4.46Å; F217-I230 HydrophobicContact CD1-CG2 4.3Å; F217-I230 HydrophobicContact CE1-CB 4.34Å; F217-I230 HydrophobicContact CE1-CG2 3.74Å; F217-M235 HydrophobicContact CB-CG 4.47Å; F217-M235 HydrophobicContact CD1-CG 3.41Å; F217-M235 VanDerWaalsContact CD1-CG 3.41Å; F217-M235 HydrophobicContact CD1-SD 4.04Å; F217-M235 HydrophobicContact CD2-CG 4.46Å; F217-M235 HydrophobicContact CE1-CG 3.62Å; F217-M235 HydrophobicContact CE1-SD 3.58Å; F217-M235 VanDerWaalsContact CE1-SD 3.58Å; F217-M235 HydrophobicContact CE2-CE 4.47Å; F217-M235 HydrophobicContact CE2-SD 4.34Å; F217-M235 HydrophobicContact CG-CG 3.87Å; F217-M235 HydrophobicContact CZ-CE 4.39Å; F217-M235 HydrophobicContact CZ-CG 4.22Å; F217-M235 HydrophobicContact CZ-SD 3.74Å; F217-I253 HydrophobicContact CE2-CG2 4.12Å; F217-I253 HydrophobicContact CZ-CG2 4.1Å; F217-Y254 HydrophobicContact CD2-CE2 4.24Å; F217-Y254 AromaticContact CE2-CE2 3.85Å; F217-Y254 HydrophobicContact CE2-CE2 3.85Å | ||
| 218 | H | 83.1 | Confident | 81 | Confident | 113 Ų | 113 | 66 Ų | 66 | 52% | 0.523 | 34% | 0.341 | S | S | . | . | trans | -130.6 | 129.1 | 175.2 | -65.3 | -16.1 | 0 | 0 | 0 | 109.2 | E208 | E208-H218 PolarHBondContact N-O 3.2Š| ||
| 219 | G | 86.4 | Confident | 80.9 | Confident | 16 Ų | 16 | 68.4 Ų | 68.4 | 17% | 0.165 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | -176.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E206 I230 | E206-G219 CarbonylContact O-C 3.58Å; E206-G219 WeakPolarHBondContact O-CA 3.26Å; G219-I230 PolarHBondContact N-O 3.4Å; G219-I230 VanDerWaalsContact N-O 3.15Å; G219-I230 PolarHBondContact O-N 3.15Å |
| 220 | K | 86.7 | Confident | 80.9 | Confident | 57 Ų | 57 | 66.5 Ų | 66.5 | 25% | 0.248 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 138.7 | 177.3 | 51.8 | -173 | 148.9 | 142.1 | 0 | 110.6 | E206 L222 I228 | E206-K220 HydrophobicContact CB-CG 3.98Å; E206-K220 PolarHBondContact N-O 2.86Å; E206-K220 PolarHBondContact O-N 2.99Å; E206-K220 VanDerWaalsContact OE1-CE 3.29Å; E206-K220 WeakPolarHBondContact OE1-CE 3.48Å; E206-K220 IonicContact OE1-NZ 2.61Å; E206-K220 PolarHBondContact OE1-NZ 2.6Å; E206-K220 VanDerWaalsContact OE2-CE 3.27Å; E206-K220 WeakPolarHBondContact OE2-CE 3.17Å; E206-K220 IonicContact OE2-NZ 3.81Å; E206-K220 PolarHBondContact OE2-NZ 2.79Å; K220-L222 HydrophobicContact CD-CD2 4.19Å; K220-L222 HydrophobicContact CG-CD2 4.18Å; K220-I228 CarbonylContact C-O 3.53Å; K220-I228 WeakPolarHBondContact CA-O 3.23Å |
| 221 | I | 87.2 | Confident | 80.8 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 136.7 | 165.9 | -55.9 | -173.6 | 0 | 0 | 0 | 108.1 | I187 L190 F201 Y203 L223 R227 I228 I230 | I187-I221 HydrophobicContact CD1-CD1 3.49Å; I187-I221 VanDerWaalsContact CD1-CD1 3.49Å; I187-I221 HydrophobicContact CD1-CG1 4.37Å; L190-I221 HydrophobicContact CD1-CD1 4.17Å; L190-I221 HydrophobicContact CD2-CD1 3.97Å; F201-I221 HydrophobicContact CE2-CD1 3.94Å; F201-I221 HydrophobicContact CE2-CG2 4.36Å; F201-I221 HydrophobicContact CZ-CD1 3.96Å; F201-I221 HydrophobicContact CZ-CG2 4.24Å; Y203-I221 VanDerWaalsContact CB-CG2 3.46Å; Y203-I221 HydrophobicContact CG-CG2 4.24Å; I221-L223 HydrophobicContact CB-CD1 4.22Å; I221-L223 HydrophobicContact CG2-CD1 3.75Å; I221-L223 HydrophobicContact CG2-CG 4.44Å; I221-R227 WeakPolarHBondContact O-CA 3.42Å; I221-I228 HydrophobicContact CB-CB 4.49Å; I221-I228 PolarHBondContact N-O 2.87Å; I221-I228 PolarHBondContact O-N 2.92Å; I221-I230 HydrophobicContact CG1-CD1 3.8Å; I221-I230 HydrophobicContact CG1-CG1 4.18Å |
| 222 | L | 84.9 | Confident | 80.9 | Confident | 38 Ų | 38 | 71.8 Ų | 71.8 | 20% | 0.199 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 90.7 | 176.5 | -55 | -176.9 | 0 | 0 | 0 | 109.5 | L16 P204 E206 K220 R227 | L16-L222 HydrophobicContact CD2-CD1 4.02Å; P204-L222 PolarHBondContact O-N 2.75Å; E206-L222 HydrophobicContact CB-CD1 4.33Å; E206-L222 HydrophobicContact CB-CG 4.49Å; K220-L222 HydrophobicContact CD-CD2 4.19Å; K220-L222 HydrophobicContact CG-CD2 4.18Å; L222-R227 HydrophobicContact CD2-CG 4Å |
| 223 | L | 81.9 | Confident | 81.4 | Confident | 40 Ų | 40 | 72.5 Ų | 72.5 | 21% | 0.209 | 36% | 0.356 | C | S | . | . | trans | -80.3 | 164.3 | 161.6 | -60.3 | 90.4 | 0 | 0 | 0 | 108.5 | Y203 I221 D225 I226 I228 | Y203-L223 HydrophobicContact CD1-CB 4.18Å; Y203-L223 HydrophobicContact CD1-CD2 4.35Å; Y203-L223 HydrophobicContact CD1-CG 3.8Å; Y203-L223 HydrophobicContact CD2-CD2 4.32Å; Y203-L223 HydrophobicContact CD2-CG 4.19Å; Y203-L223 HydrophobicContact CE1-CB 4.25Å; Y203-L223 HydrophobicContact CE1-CD2 4.01Å; Y203-L223 HydrophobicContact CE1-CG 3.92Å; Y203-L223 HydrophobicContact CE2-CD2 3.97Å; Y203-L223 HydrophobicContact CE2-CG 4.3Å; Y203-L223 HydrophobicContact CG-CD2 4.5Å; Y203-L223 HydrophobicContact CG-CG 3.94Å; I221-L223 HydrophobicContact CB-CD1 4.22Å; I221-L223 HydrophobicContact CG2-CD1 3.75Å; I221-L223 HydrophobicContact CG2-CG 4.44Å; L223-D225 VanDerWaalsContact C-N 3.33Å; L223-D225 PolarHBondContact O-N 3.2Å; L223-I226 WeakPolarHBondContact CB-O 3.4Å; L223-I226 PolarHBondContact N-O 3.21Å; L223-I226 VanDerWaalsContact N-O 3.08Å; L223-I228 HydrophobicContact CD1-CD1 3.58Å; L223-I228 HydrophobicContact CD1-CG1 3.75Å | ||
| 224 | P | 76.3 | Confident | 82.1 | Confident | 114 Ų | 114 | 67.8 Ų | 67.8 | 74% | 0.74 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -55 | -45.7 | -176.8 | -28.1 | 36.6 | 0 | 0 | 0 | 113.5 | ||
| 225 | D | 75.2 | Confident | 83 | Confident | 156 Ų | 156 | 66.1 Ų | 66.1 | 83% | 0.834 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -107.8 | -19.4 | -172.9 | -49.3 | -70.5 | 0 | 0 | 0 | 113.8 | L223 | L223-D225 VanDerWaalsContact C-N 3.33Å; L223-D225 PolarHBondContact O-N 3.2Å |
| 226 | I | 77.4 | Confident | 84 | Confident | 108 Ų | 108 | 61 Ų | 61 | 55% | 0.554 | 31% | 0.306 | S | S | * | . | trans | -131 | 142 | -170.1 | -60.5 | 179 | 0 | 0 | 0 | 110.7 | L223 I228 | L223-I226 WeakPolarHBondContact CB-O 3.4Å; L223-I226 PolarHBondContact N-O 3.21Å; L223-I226 VanDerWaalsContact N-O 3.08Å; I226-I228 HydrophobicContact CG2-CG1 4.18Å | ||
| 227 | R | 77.6 | Confident | 84.6 | Confident | 182 Ų | 182 | 57.3 Ų | 57.3 | 69% | 0.687 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 107 | 173.4 | -65 | 179.5 | 179.3 | 175.1 | -2 | 109.9 | I221 L222 | I221-R227 WeakPolarHBondContact O-CA 3.42Å; L222-R227 HydrophobicContact CD2-CG 4Å |
| 228 | I | 83.1 | Confident | 84.8 | Confident | 26 Ų | 26 | 57.8 Ų | 57.8 | 13% | 0.133 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 121.5 | 179.8 | -55.7 | 175.9 | 0 | 0 | 0 | 108.5 | I187 L190 K220 I221 L223 I226 | I187-I228 HydrophobicContact CG2-CG2 3.51Å; L190-I228 HydrophobicContact CD1-CD1 4.25Å; K220-I228 CarbonylContact C-O 3.53Å; K220-I228 WeakPolarHBondContact CA-O 3.23Å; I221-I228 HydrophobicContact CB-CB 4.49Å; I221-I228 PolarHBondContact N-O 2.87Å; I221-I228 PolarHBondContact O-N 2.92Å; L223-I228 HydrophobicContact CD1-CD1 3.58Å; L223-I228 HydrophobicContact CD1-CG1 3.75Å; I226-I228 HydrophobicContact CG2-CG1 4.18Å |
| 229 | P | 83.7 | Confident | 84.5 | Confident | 75 Ų | 75 | 53.2 Ų | 53.2 | 49% | 0.487 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 151.5 | 178.8 | 31.1 | -35.7 | 0 | 0 | 0 | 111.6 | ||
| 230 | I | 87.1 | Confident | 84.5 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 133.7 | 177.6 | -50.3 | 167.4 | 0 | 0 | 0 | 109.2 | L157 I187 I205 F217 G219 I221 N234 | L157-I230 HydrophobicContact CD1-CG2 3.44Å; L157-I230 VanDerWaalsContact CD1-CG2 3.44Å; L157-I230 HydrophobicContact CD2-CD1 3.88Å; I187-I230 HydrophobicContact CD1-CG1 4.41Å; I205-I230 HydrophobicContact CG2-CD1 3.55Å; F217-I230 HydrophobicContact CD1-CG2 4.3Å; F217-I230 HydrophobicContact CE1-CB 4.34Å; F217-I230 HydrophobicContact CE1-CG2 3.74Å; G219-I230 PolarHBondContact N-O 3.4Å; G219-I230 VanDerWaalsContact N-O 3.15Å; G219-I230 PolarHBondContact O-N 3.15Å; I221-I230 HydrophobicContact CG1-CD1 3.8Å; I221-I230 HydrophobicContact CG1-CG1 4.18Å; I230-N234 HydrophobicContact CG2-CB 4.05Å |
| 231 | H | 84.4 | Confident | 84.4 | Confident | 97 Ų | 97 | 49.9 Ų | 49.9 | 45% | 0.449 | 26% | 0.257 | S | S | . | . | trans | -123.4 | 178.1 | -177.6 | -57.3 | -60.6 | 0 | 0 | 0 | 111.5 | N233 N234 | H231-N233 PolarHBondContact O-N 2.75Å; H231-N234 PolarHBondContact N-OD1 3.15Å; H231-N234 VanDerWaalsContact N-OD1 3.07Å; H231-N234 PolarHBondContact O-N 2.9Å; H231-N234 PolarHBondContact O-OD1 2.86Å | ||
| 232 | K | 85.6 | Confident | 84.4 | Confident | 85 Ų | 85 | 49.9 Ų | 49.9 | 37% | 0.37 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -58.4 | -31.6 | -179.3 | 88.9 | 175.5 | -168.9 | -179.5 | 0 | 112.9 | R184 N234 M235 | R184-K232 PolarHBondContact NH1-O 2.9Å; K232-N234 PolarHBondContact O-N 2.87Å; K232-M235 PolarHBondContact O-N 2.95Å |
| 233 | N | 85 | Confident | 84.1 | Confident | 60 Ų | 60 | 50.2 Ų | 50.2 | 32% | 0.321 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -64.3 | -26.2 | -174.8 | -72.4 | 22.2 | 0 | 0 | 0 | 112.3 | R184 E185 H231 M235 | R184-N233 VanDerWaalsContact CA-O 3.25Å; R184-N233 WeakPolarHBondContact CA-O 3.27Å; R184-N233 VanDerWaalsContact CB-O 3.31Å; R184-N233 WeakPolarHBondContact CB-O 3.46Å; R184-N233 WeakPolarHBondContact CD-O 3.29Å; E185-N233 PolarHBondContact N-O 2.98Å; E185-N233 PolarHBondContact OE2-ND2 2.85Å; H231-N233 PolarHBondContact O-N 2.75Å; N233-M235 VanDerWaalsContact C-N 3.34Å |
| 234 | N | 90.3 | Very high | 83.8 | Confident | 11 Ų | 11 | 50.5 Ų | 50.5 | 6% | 0.059 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -85.7 | -7.2 | 177.6 | -40.7 | 106.4 | 0 | 0 | 0 | 112.6 | L157 L158 E185 I186 I187 I230 H231 K232 | L157-N234 HydrophobicContact CD1-CB 3.71Å; L158-N234 VanDerWaalsContact CB-O 3.32Å; L158-N234 WeakPolarHBondContact CB-O 3.35Å; L158-N234 PolarHBondContact N-O 2.82Å; E185-N234 WeakPolarHBondContact O-CA 3.26Å; E185-N234 PolarHBondContact O-ND2 2.8Å; I186-N234 PolarHBondContact O-ND2 2.74Å; I187-N234 HydrophobicContact CG1-CB 4.22Å; I230-N234 HydrophobicContact CG2-CB 4.05Å; H231-N234 PolarHBondContact N-OD1 3.15Å; H231-N234 VanDerWaalsContact N-OD1 3.07Å; H231-N234 PolarHBondContact O-N 2.9Å; H231-N234 PolarHBondContact O-OD1 2.86Å; K232-N234 PolarHBondContact O-N 2.87Å |
| 235 | M | 91.7 | Very high | 84.1 | Confident | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.02 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 125.7 | -176.2 | -70.9 | -62.8 | -59.1 | 0 | 0 | 112.4 | D155 L157 R184 F217 K232 N233 L237 I253 | D155-M235 HydrophobicContact CB-CE 4.04Å; L157-M235 HydrophobicContact CB-SD 4.1Å; L157-M235 HydrophobicContact CD1-SD 3.97Å; R184-M235 PolarHBondContact NH1-O 2.89Å; F217-M235 HydrophobicContact CB-CG 4.47Å; F217-M235 HydrophobicContact CD1-CG 3.41Å; F217-M235 VanDerWaalsContact CD1-CG 3.41Å; F217-M235 HydrophobicContact CD1-SD 4.04Å; F217-M235 HydrophobicContact CD2-CG 4.46Å; F217-M235 HydrophobicContact CE1-CG 3.62Å; F217-M235 HydrophobicContact CE1-SD 3.58Å; F217-M235 VanDerWaalsContact CE1-SD 3.58Å; F217-M235 HydrophobicContact CE2-CE 4.47Å; F217-M235 HydrophobicContact CE2-SD 4.34Å; F217-M235 HydrophobicContact CG-CG 3.87Å; F217-M235 HydrophobicContact CZ-CE 4.39Å; F217-M235 HydrophobicContact CZ-CG 4.22Å; F217-M235 HydrophobicContact CZ-SD 3.74Å; K232-M235 PolarHBondContact O-N 2.95Å; N233-M235 VanDerWaalsContact C-N 3.34Å; M235-L237 HydrophobicContact CB-CD2 4.29Å; M235-I253 HydrophobicContact CE-CB 4.01Å; M235-I253 HydrophobicContact CE-CG1 3.99Å; M235-I253 HydrophobicContact CE-CG2 4.34Å; M235-I253 HydrophobicContact SD-CG1 4.06Å |
| 236 | L | 93.6 | Very high | 84.5 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 132.1 | 161.9 | -47.4 | -176.1 | 0 | 0 | 0 | 107.7 | I152 I156 L158 I170 R184 V248 | I152-L236 HydrophobicContact CD1-CB 3.97Å; I152-L236 HydrophobicContact CG1-CB 4.43Å; I152-L236 HydrophobicContact CG2-CB 4.23Å; I156-L236 HydrophobicContact CB-CB 4.3Å; I156-L236 HydrophobicContact CG2-CD1 4.41Å; I156-L236 PolarHBondContact N-O 2.79Å; I156-L236 PolarHBondContact O-N 3.28Å; I156-L236 VanDerWaalsContact O-O 3.14Å; L158-L236 HydrophobicContact CB-CG 4.35Å; L158-L236 HydrophobicContact CD1-CD1 4.41Å; I170-L236 HydrophobicContact CD1-CD2 4.5Å; I170-L236 HydrophobicContact CG2-CD2 3.99Å; R184-L236 HydrophobicContact CB-CD2 4.05Å; R184-L236 HydrophobicContact CG-CD2 3.94Å; L236-V248 HydrophobicContact CD1-CG2 3.95Å |
| 237 | L | 91.1 | Very high | 85.1 | Confident | 13 Ų | 13 | 41.3 Ų | 41.3 | 7% | 0.068 | 20% | 0.199 | C | C | . | . | trans | -110.5 | 147.1 | -173.9 | -61.7 | -177.2 | 0 | 0 | 0 | 111.7 | I152 D155 L175 L214 M235 G239 C240 K260 | I152-L237 VanDerWaalsContact CG2-O 3.25Å; I152-L237 WeakPolarHBondContact CG2-O 3.45Å; D155-L237 HydrophobicContact CB-CD2 4.35Å; L175-L237 HydrophobicContact CD1-CB 3.34Å; L175-L237 HydrophobicContact CD1-CD1 3.9Å; L175-L237 HydrophobicContact CD1-CG 4.28Å; L214-L237 HydrophobicContact CD2-CD1 4.4Å; M235-L237 HydrophobicContact CB-CD2 4.29Å; L237-G239 PolarHBondContact O-N 2.97Å; L237-C240 WeakPolarHBondContact O-CB 3.02Å; L237-C240 PolarHBondContact O-N 3.1Å; L237-C240 PolarHBondContact O-SG 3.33Å; L237-K260 HydrophobicContact CD1-CD 4.47Å; L237-K260 HydrophobicContact CD2-CD 4.03Å | ||
| 238 | R | 87.6 | Confident | 85.8 | Confident | 16 Ų | 16 | 32.8 Ų | 32.8 | 6% | 0.06 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 130.3 | -178.8 | -176.4 | -177.9 | -157.4 | 140.4 | 21.6 | 111.8 | N37 I152 P153 D155 L175 G256 T259 A261 | N37-R238 PolarHBondContact ND2-NH2 3.5Å; N37-R238 PolarHBondContact OD1-NH1 3.21Å; N37-R238 PolarHBondContact OD1-NH2 2.95Å; I152-R238 WeakPolarHBondContact O-CA 3.36Å; P153-R238 PolarHBondContact O-NE 2.64Å; P153-R238 VanDerWaalsContact O-NE 3.16Å; P153-R238 PolarHBondContact O-NH2 2.92Å; D155-R238 PolarHBondContact OD1-N 2.68Å; L175-R238 WeakPolarHBondContact CD2-O 3.47Å; R238-G256 PolarHBondContact NH1-O 3.13Å; R238-T259 HydrophobicContact CB-CG2 4.19Å; R238-T259 WeakPolarHBondContact CD-OG1 3.33Å; R238-A261 HydrophobicContact CB-CB 3.88Å; R238-A261 HydrophobicContact CG-CB 4.24Å; R238-A261 WeakPolarHBondContact O-CB 3.3Å |
| 239 | G | 78.1 | Confident | 86.3 | Confident | 18 Ų | 18 | 31.7 Ų | 31.7 | 19% | 0.186 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.8 | -19.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | I152 N174 L237 | I152-G239 PolarHBondContact O-N 3.35Å; N174-G239 WeakPolarHBondContact CB-O 3.44Å; N174-G239 PolarHBondContact ND2-O 2.9Å; N174-G239 VanDerWaalsContact ND2-O 3.14Å; L237-G239 PolarHBondContact O-N 2.97Å |
| 240 | C | 86.4 | Confident | 86.8 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -59.7 | 154.9 | 168.5 | -62.7 | 0 | 0 | 0 | 0 | 111.3 | I151 I152 I170 E171 L175 L237 | I151-C240 WeakPolarHBondContact CA-O 3.3Å; I152-C240 HydrophobicContact CD1-CB 3.66Å; I152-C240 PolarHBondContact N-O 2.99Å; I170-C240 HydrophobicContact CB-CB 4.29Å; I170-C240 HydrophobicContact CD1-CB 4.06Å; E171-C240 VanDerWaalsContact O-CA 3.26Å; E171-C240 WeakPolarHBondContact O-CA 3.39Å; E171-C240 VanDerWaalsContact O-CB 3.32Å; E171-C240 WeakPolarHBondContact O-CB 3.3Å; L175-C240 WeakPolarHBondContact CD1-SG 3.43Å; L237-C240 WeakPolarHBondContact O-CB 3.02Å; L237-C240 PolarHBondContact O-N 3.1Å; L237-C240 PolarHBondContact O-SG 3.33Å | ||
| 241 | V | 83.7 | Confident | 87.1 | Confident | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.012 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 133.3 | 176.5 | -168.7 | 0 | 0 | 0 | 0 | 109.2 | D150 I151 I170 E171 | D150-V241 WeakPolarHBondContact O-CA 3.46Å; I151-V241 HydrophobicContact CG1-CG2 4.27Å; I170-V241 CarbonylContact C-O 3.44Å; I170-V241 WeakPolarHBondContact CA-O 3.5Å; E171-V241 HydrophobicContact CB-CB 4.26Å; E171-V241 PolarHBondContact N-O 3.4Å; E171-V241 PolarHBondContact O-N 3.19Å |
| 242 | L | 87.1 | Confident | 87.6 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 132.5 | 171.5 | -167.5 | 73.5 | 0 | 0 | 0 | 109.5 | H147 N149 D150 C168 I170 T245 V248 | H147-L242 WeakPolarHBondContact O-CD2 3.24Å; N149-L242 WeakPolarHBondContact CA-O 3.33Å; N149-L242 PolarHBondContact N-O 2.81Å; D150-L242 PolarHBondContact O-N 3.02Å; C168-L242 HydrophobicContact CB-CD1 4.36Å; I170-L242 HydrophobicContact CG2-CD1 4.07Å; L242-T245 VanDerWaalsContact CD2-O 3.32Å; L242-T245 WeakPolarHBondContact CD2-O 3.26Å; L242-V248 HydrophobicContact CD1-CG1 3.84Å; L242-V248 HydrophobicContact CD1-CG2 4.04Å; L242-V248 HydrophobicContact CD2-CG1 4.15Å; L242-V248 HydrophobicContact CD2-CG2 3.89Å |
| 243 | R | 79.9 | Confident | 88 | Confident | 46 Ų | 46 | 19.6 Ų | 19.6 | 17% | 0.174 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 152.2 | 178.3 | -60.3 | -71.4 | -163.5 | -157.9 | -3.9 | 109.3 | N149 H169 E171 L181 T245 E1404 | N149-R243 WeakPolarHBondContact OD1-CD 3.45Å; N149-R243 PolarHBondContact OD1-NH1 2.69Å; H169-R243 WeakPolarHBondContact CB-O 3.25Å; H169-R243 PolarHBondContact O-N 2.82Å; H169-R243 VanDerWaalsContact O-O 3.05Å; E171-R243 HydrophobicContact CB-CG 4.07Å; E171-R243 IonicContact OE1-NH2 3.12Å; E171-R243 IonicContact OE2-CZ 3.2Å; E171-R243 IonicContact OE2-NE 3.52Å; E171-R243 PolarHBondContact OE2-NE 3.42Å; E171-R243 IonicContact OE2-NH2 3.48Å; E171-R243 PolarHBondContact OE2-NH2 3Å; L181-R243 HydrophobicContact CD1-CB 4.41Å; L181-R243 HydrophobicContact CD2-CB 3.77Å; L181-R243 HydrophobicContact CD2-CG 3.78Å; R243-T245 PolarHBondContact O-N 2.9Å; R243-T245 VanDerWaalsContact O-N 3.09Å; R243-T245 PolarHBondContact O-OG1 2.91Å; R243-E1404 IonicContact CZ-OE2 2.72Å; R243-E1404 IonicContact NH2-OE2 2.71Å; R243-E1404 PolarHBondContact NH2-OE2 3.26Å |
| 244 | N | 75.5 | Confident | 88.4 | Confident | 46 Ų | 46 | 16.7 Ų | 16.7 | 25% | 0.246 | 9% | 0.085 | C | C | . | . | S | Bend | trans | 44.1 | 47.6 | 173.7 | -58.7 | -33.6 | 0 | 0 | 0 | 113.5 | H169 L181 E944 | H169-N244 PolarHBondContact ND1-O 2.99Å; L181-N244 WeakPolarHBondContact CD1-ND2 3.21Å; N244-E944 PolarHBondContact ND2-OE2 3.06Å; N244-E944 PolarHBondContact OD1-OE2 3.32Å |
| 245 | T | 82.5 | Confident | 88.5 | Confident | 6 Ų | 6 | 16.2 Ų | 16.2 | 4% | 0.037 | 8% | 0.083 | C | C | . | . | trans | -163.8 | 102.2 | 178 | -56 | 0 | 0 | 0 | 0 | 108.6 | T148 T161 C168 H169 L242 R243 Y247 V248 | T148-T245 PolarHBondContact OG1-O 3.24Å; T161-T245 WeakPolarHBondContact OG1-CG2 3.13Å; C168-T245 WeakPolarHBondContact CA-OG1 3.39Å; C168-T245 HydrophobicContact CB-CG2 3.62Å; C168-T245 WeakPolarHBondContact CB-OG1 3.36Å; H169-T245 PolarHBondContact N-OG1 3.28Å; L242-T245 VanDerWaalsContact CD2-O 3.32Å; L242-T245 WeakPolarHBondContact CD2-O 3.26Å; R243-T245 PolarHBondContact O-N 2.9Å; R243-T245 VanDerWaalsContact O-N 3.09Å; R243-T245 PolarHBondContact O-OG1 2.91Å; T245-Y247 VanDerWaalsContact C-N 3.32Å; T245-Y247 PolarHBondContact O-N 2.82Å; T245-V248 HydrophobicContact CG2-CG1 3.72Å | ||
| 246 | D | 83 | Confident | 88.2 | Confident | 118 Ų | 118 | 16 Ų | 16 | 63% | 0.631 | 8% | 0.082 | S | C | * | . | S | Bend | trans | -48.8 | -47.7 | -171.3 | -59.6 | -33.2 | 0 | 0 | 0 | 114.6 | H147 T148 S162 | H147-D246 CarbonylContact C-O 3.44Å; H147-D246 WeakPolarHBondContact CA-O 3.33Å; T148-D246 PolarHBondContact N-O 2.92Å; T148-D246 VanDerWaalsContact OG1-CA 3.3Å; T148-D246 WeakPolarHBondContact OG1-CA 3.48Å; T148-D246 PolarHBondContact OG1-N 2.94Å; S162-D246 PolarHBondContact OG-N 2.86Å |
| 247 | Y | 90.4 | Very high | 87.7 | Confident | 61 Ų | 61 | 19.4 Ų | 19.4 | 24% | 0.239 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 155.6 | 168.7 | 71.9 | -93.3 | 0 | 0 | 0 | 112.6 | L146 S162 T245 I249 | L146-Y247 CarbonylContact O-C 3.53Å; L146-Y247 WeakPolarHBondContact O-CA 3.32Å; S162-Y247 PolarHBondContact N-O 2.87Å; S162-Y247 PolarHBondContact OG-N 3.34Å; S162-Y247 PolarHBondContact OG-O 3.45Å; T245-Y247 VanDerWaalsContact C-N 3.32Å; T245-Y247 PolarHBondContact O-N 2.82Å; Y247-I249 HydrophobicContact CD2-CD1 4.45Å; Y247-I249 HydrophobicContact CD2-CG1 4.25Å; Y247-I249 HydrophobicContact CE2-CD1 4.1Å; Y247-I249 HydrophobicContact CE2-CG1 4.36Å |
| 248 | V | 93 | Very high | 87.6 | Confident | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.012 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 152.7 | 166 | -64 | 0 | 0 | 0 | 0 | 110.7 | R145 L146 L158 C168 L236 L242 T245 | R145-V248 WeakPolarHBondContact CA-O 3.27Å; L146-V248 HydrophobicContact CB-CG2 3.93Å; L146-V248 PolarHBondContact N-O 2.92Å; L146-V248 PolarHBondContact O-N 3.29Å; L158-V248 HydrophobicContact CD1-CB 3.86Å; L158-V248 HydrophobicContact CD1-CG1 3.98Å; C168-V248 HydrophobicContact CB-CG1 3.67Å; L236-V248 HydrophobicContact CD1-CG2 3.95Å; L242-V248 HydrophobicContact CD1-CG1 3.84Å; L242-V248 HydrophobicContact CD1-CG2 4.04Å; L242-V248 HydrophobicContact CD2-CG1 4.15Å; L242-V248 HydrophobicContact CD2-CG2 3.89Å; T245-V248 HydrophobicContact CG2-CG1 3.72Å |
| 249 | I | 93.6 | Very high | 87.6 | Confident | 4 Ų | 4 | 19.5 Ų | 19.5 | 2% | 0.021 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 132.6 | 171.8 | -63 | 166.4 | 0 | 0 | 0 | 108.2 | Y130 V144 R145 L159 A160 F196 Y247 | Y130-I249 VanDerWaalsContact OH-CG2 3.25Å; Y130-I249 WeakPolarHBondContact OH-CG2 3.33Å; V144-I249 WeakPolarHBondContact O-CA 3.45Å; R145-I249 HydrophobicContact CG-CG1 4.17Å; L159-I249 PolarHBondContact N-O 3.16Å; A160-I249 HydrophobicContact CB-CB 4.34Å; A160-I249 PolarHBondContact N-O 2.81Å; A160-I249 PolarHBondContact O-N 2.95Å; F196-I249 HydrophobicContact CD1-CB 4.4Å; F196-I249 HydrophobicContact CD1-CD1 4.35Å; F196-I249 HydrophobicContact CD1-CG2 3.76Å; F196-I249 HydrophobicContact CE1-CG2 3.76Å; Y247-I249 HydrophobicContact CD2-CD1 4.45Å; Y247-I249 HydrophobicContact CD2-CG1 4.25Å; Y247-I249 HydrophobicContact CE2-CD1 4.1Å; Y247-I249 HydrophobicContact CE2-CG1 4.36Å |
| 250 | G | 93.5 | Very high | 87.9 | Confident | 2 Ų | 2 | 18.7 Ų | 18.7 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 172.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | F143 V144 L157 | F143-G250 CarbonylContact C-O 3.58Å; F143-G250 WeakPolarHBondContact CA-O 3.34Å; V144-G250 PolarHBondContact N-O 3.39Å; V144-G250 PolarHBondContact O-N 3.48Å; L157-G250 CarbonylContact O-C 3.57Å; L157-G250 WeakPolarHBondContact O-CA 3.44Å |
| 251 | I | 94 | Very high | 87.4 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 134.2 | -179.5 | -175.9 | 170.2 | 0 | 0 | 0 | 111.2 | P19 D142 F143 I156 L157 L159 F201 I205 I253 | P19-I251 HydrophobicContact CB-CD1 3.8Å; D142-I251 WeakPolarHBondContact O-CA 3.32Å; F143-I251 HydrophobicContact CD1-CB 4.2Å; F143-I251 HydrophobicContact CE1-CB 4.4Å; F143-I251 HydrophobicContact CE1-CD1 4.35Å; F143-I251 HydrophobicContact CZ-CD1 4.42Å; I156-I251 CarbonylContact C-O 3.53Å; I156-I251 WeakPolarHBondContact CA-O 3.48Å; L157-I251 HydrophobicContact CB-CG2 3.85Å; L157-I251 HydrophobicContact CD2-CG2 4.15Å; L157-I251 HydrophobicContact CG-CG2 4.4Å; L157-I251 PolarHBondContact N-O 3.32Å; L157-I251 PolarHBondContact O-N 3.02Å; L159-I251 HydrophobicContact CD1-CB 4.03Å; L159-I251 HydrophobicContact CD1-CG2 3.82Å; L159-I251 HydrophobicContact CD2-CG2 4.31Å; L159-I251 HydrophobicContact CG-CG2 4.19Å; F201-I251 HydrophobicContact CE1-CD1 4.36Å; I205-I251 HydrophobicContact CD1-CD1 4.13Å; I205-I251 HydrophobicContact CD1-CG2 3.78Å; I251-I253 PolarHBondContact O-N 3.33Å |
| 252 | V | 95 | Very high | 87.1 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 128.3 | -178.9 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | L138 R139 P140 G141 D142 V144 A154 I156 A255 | L138-V252 HydrophobicContact CD2-CG2 4.42Å; R139-V252 VanDerWaalsContact O-CB 3.31Å; R139-V252 WeakPolarHBondContact O-CB 3.48Å; P140-V252 CarbonylContact C-O 3.5Å; P140-V252 VanDerWaalsContact CA-O 3.31Å; P140-V252 WeakPolarHBondContact CA-O 3.41Å; G141-V252 PolarHBondContact N-O 2.88Å; D142-V252 HydrophobicContact CB-CG2 4.39Å; D142-V252 PolarHBondContact O-N 3.5Å; V144-V252 HydrophobicContact CG2-CG2 3.66Å; A154-V252 HydrophobicContact CB-CG1 3.92Å; A154-V252 HydrophobicContact CB-CG2 4.5Å; I156-V252 HydrophobicContact CG1-CG2 4.08Å; V252-A255 HydrophobicContact CG1-CB 4.45Å |
| 253 | I | 93.6 | Very high | 86.6 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | -49.3 | 179 | -60.9 | -59.2 | 0 | 0 | 0 | 111.6 | I17 D155 L157 I205 V207 F217 M235 I251 | I17-I253 HydrophobicContact CD1-CB 4.16Å; I17-I253 HydrophobicContact CD1-CD1 3.96Å; I17-I253 HydrophobicContact CD1-CG2 3.8Å; I17-I253 WeakPolarHBondContact CD1-O 3.37Å; D155-I253 PolarHBondContact O-N 2.87Å; L157-I253 HydrophobicContact CB-CD1 3.87Å; L157-I253 HydrophobicContact CB-CG1 3.7Å; L157-I253 HydrophobicContact CD2-CD1 4.29Å; I205-I253 HydrophobicContact CD1-CD1 4.06Å; I205-I253 HydrophobicContact CG2-CD1 4.39Å; V207-I253 HydrophobicContact CG1-CG2 4.17Å; V207-I253 HydrophobicContact CG2-CG2 4.14Å; F217-I253 HydrophobicContact CE2-CG2 4.12Å; F217-I253 HydrophobicContact CZ-CG2 4.1Å; M235-I253 HydrophobicContact CE-CB 4.01Å; M235-I253 HydrophobicContact CE-CG1 3.99Å; M235-I253 HydrophobicContact CE-CG2 4.34Å; M235-I253 HydrophobicContact SD-CG1 4.06Å; I251-I253 PolarHBondContact O-N 3.33Å |
| 254 | Y | 92.7 | Very high | 86 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 143.1 | 175.8 | -51.3 | -54.9 | 0 | 0 | 0 | 110.5 | D155 V207 E208 P210 F217 T259 | D155-Y254 HydrophobicContact CB-CD2 4.14Å; D155-Y254 PolarHBondContact N-O 3.22Å; D155-Y254 VanDerWaalsContact N-O 3.08Å; D155-Y254 PolarHBondContact O-N 3.11Å; V207-Y254 HydrophobicContact CG2-CE1 4.07Å; E208-Y254 PolarHBondContact O-OH 3.32Å; P210-Y254 HydrophobicContact CB-CE1 4.46Å; P210-Y254 HydrophobicContact CG-CD1 3.91Å; P210-Y254 HydrophobicContact CG-CE1 3.85Å; F217-Y254 HydrophobicContact CD2-CE2 4.24Å; F217-Y254 AromaticContact CE2-CE2 3.85Å; F217-Y254 HydrophobicContact CE2-CE2 3.85Å; Y254-T259 VanDerWaalsContact O-CG2 3.23Å; Y254-T259 WeakPolarHBondContact O-CG2 3.36Å |
| 255 | A | 91.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -128.1 | 149.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | N37 P140 V252 C257 E258 | N37-A255 HydrophobicContact CB-CB 4Å; P140-A255 HydrophobicContact CG-CB 3.98Å; V252-A255 HydrophobicContact CG1-CB 4.45Å; A255-C257 PolarHBondContact O-N 2.89Å; A255-E258 WeakPolarHBondContact O-CB 3.32Å; A255-E258 PolarHBondContact O-N 2.87Å | ||
| 256 | G | 86.7 | Confident | 84 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | 62.8 | -128.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | N37 R238 E258 T259 A262 | N37-G256 WeakPolarHBondContact OD1-CA 3.48Å; N37-G256 PolarHBondContact OD1-N 3.03Å; R238-G256 PolarHBondContact NH1-O 3.13Å; G256-E258 PolarHBondContact O-N 3.39Å; G256-T259 PolarHBondContact O-N 3.36Å; G256-T259 PolarHBondContact O-OG1 3.29Å; G256-A262 WeakPolarHBondContact O-CB 3.35Å |
| 257 | C | 83.1 | Confident | 82.7 | Confident | 73 Ų | 73 | 24.3 Ų | 24.3 | 49% | 0.493 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -72.3 | -5.3 | 176.7 | 46.9 | 0 | 0 | 0 | 0 | 114.7 | A255 L263 | A255-C257 PolarHBondContact O-N 2.89Å; C257-L263 WeakPolarHBondContact O-CD2 3.43Å |
| 258 | E | 88.6 | Confident | 80.8 | Confident | 30 Ų | 30 | 24.6 Ų | 24.6 | 14% | 0.14 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -85.9 | -11.8 | 172.7 | -52.4 | -170.4 | 98.4 | 0 | 0 | 113 | R15 L35 P210 A255 G256 | R15-E258 IonicContact CZ-OE1 3.86Å; R15-E258 IonicContact CZ-OE2 3.5Å; R15-E258 IonicContact NH1-OE1 2.97Å; R15-E258 PolarHBondContact NH1-OE1 3.14Å; R15-E258 IonicContact NH1-OE2 3.91Å; R15-E258 PolarHBondContact NH1-OE2 2.74Å; R15-E258 VanDerWaalsContact NH1-OE2 3.12Å; R15-E258 IonicContact NH2-OE1 2.72Å; R15-E258 IonicContact NH2-OE2 3.63Å; R15-E258 PolarHBondContact NH2-OE2 2.69Å; L35-E258 HydrophobicContact CB-CG 4.44Å; L35-E258 HydrophobicContact CD1-CG 3.66Å; P210-E258 HydrophobicContact CB-CB 4.32Å; P210-E258 HydrophobicContact CG-CB 4.06Å; A255-E258 WeakPolarHBondContact O-CB 3.32Å; A255-E258 PolarHBondContact O-N 2.87Å; G256-E258 PolarHBondContact O-N 3.39Å |
| 259 | T | 87.9 | Confident | 79.4 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -68.3 | 144.3 | -179.4 | 54.9 | 0 | 0 | 0 | 0 | 112.1 | D155 R238 Y254 G256 A261 A262 L263 | D155-T259 HydrophobicContact CB-CG2 4.39Å; D155-T259 WeakPolarHBondContact OD2-CA 3.41Å; R238-T259 HydrophobicContact CB-CG2 4.19Å; R238-T259 WeakPolarHBondContact CD-OG1 3.33Å; Y254-T259 VanDerWaalsContact O-CG2 3.23Å; Y254-T259 WeakPolarHBondContact O-CG2 3.36Å; G256-T259 PolarHBondContact O-N 3.36Å; G256-T259 PolarHBondContact O-OG1 3.29Å; T259-A261 PolarHBondContact O-N 3.11Å; T259-A261 VanDerWaalsContact O-N 3.14Å; T259-A262 PolarHBondContact O-N 3.01Å; T259-A262 WeakPolarHBondContact OG1-CB 3.28Å; T259-L263 WeakPolarHBondContact O-CG 3.02Å; T259-L263 PolarHBondContact O-N 2.95Å |
| 260 | K | 84.5 | Confident | 78 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.009 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -54.7 | -34.8 | 178.6 | -66.4 | -171.2 | 168.2 | -80.5 | 0 | 111.9 | D155 E208 S211 E213 L214 K216 L237 N264 | D155-K260 PolarHBondContact OD2-N 2.85Å; E208-K260 IonicContact OE1-NZ 2.73Å; S211-K260 WeakPolarHBondContact O-CG 3.23Å; S211-K260 PolarHBondContact O-NZ 3.34Å; S211-K260 PolarHBondContact OG-NZ 3.33Å; E213-K260 PolarHBondContact O-NZ 3.49Å; L214-K260 HydrophobicContact CD2-CB 4.13Å; K216-K260 WeakPolarHBondContact O-CE 3.38Å; K216-K260 PolarHBondContact O-NZ 3.38Å; L237-K260 HydrophobicContact CD1-CD 4.47Å; L237-K260 HydrophobicContact CD2-CD 4.03Å; K260-N264 PolarHBondContact O-N 3.27Å; K260-N264 PolarHBondContact O-ND2 3.15Å |
| 261 | A | 76 | Confident | 77.1 | Confident | 14 Ų | 14 | 36.7 Ų | 36.7 | 12% | 0.116 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.4 | -51.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L175 R238 T259 N264 N265 | L175-A261 HydrophobicContact CD2-CB 3.68Å; R238-A261 HydrophobicContact CB-CB 3.88Å; R238-A261 HydrophobicContact CG-CB 4.24Å; R238-A261 WeakPolarHBondContact O-CB 3.3Å; T259-A261 PolarHBondContact O-N 3.11Å; T259-A261 VanDerWaalsContact O-N 3.14Å; A261-N264 PolarHBondContact O-N 2.86Å; A261-N265 WeakPolarHBondContact O-CB 3.4Å; A261-N265 PolarHBondContact O-N 3.14Å |
| 262 | A | 76.5 | Confident | 76.4 | Confident | 34 Ų | 34 | 42.1 Ų | 42.1 | 28% | 0.281 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -71.8 | -29.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | G256 T259 | G256-A262 WeakPolarHBondContact O-CB 3.35Å; T259-A262 PolarHBondContact O-N 3.01Å; T259-A262 WeakPolarHBondContact OG1-CB 3.28Å |
| 263 | L | 76.9 | Confident | 76.1 | Confident | 68 Ų | 68 | 42.1 Ų | 42.1 | 36% | 0.356 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -72.5 | -28.9 | 176.1 | -67.8 | 174.8 | 0 | 0 | 0 | 113.3 | P210 A212 C257 T259 | P210-L263 HydrophobicContact CB-CD1 3.81Å; A212-L263 HydrophobicContact CB-CB 4.19Å; C257-L263 WeakPolarHBondContact O-CD2 3.43Å; T259-L263 WeakPolarHBondContact O-CG 3.02Å; T259-L263 PolarHBondContact O-N 2.95Å |
| 264 | N | 67.3 | Low | 75.8 | Confident | 56 Ų | 56 | 44.3 Ų | 44.3 | 30% | 0.299 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -82.9 | -31.6 | 171.8 | -76 | -80.2 | 0 | 0 | 0 | 112.3 | A212 K260 A261 S266 | A212-N264 PolarHBondContact O-ND2 3Å; A212-N264 PolarHBondContact O-OD1 2.7Å; K260-N264 PolarHBondContact O-N 3.27Å; K260-N264 PolarHBondContact O-ND2 3.15Å; A261-N264 PolarHBondContact O-N 2.86Å; N264-S266 VanDerWaalsContact C-N 3.26Å; N264-S266 PolarHBondContact O-N 2.97Å |
| 265 | N | 64.1 | Low | 75.7 | Confident | 48 Ų | 48 | 44.3 Ų | 44.3 | 26% | 0.257 | 24% | 0.238 | S | C | . | . | trans | -83.5 | 71.7 | 179 | -155.4 | -22.9 | 0 | 0 | 0 | 111.2 | A261 G267 | A261-N265 WeakPolarHBondContact O-CB 3.4Å; A261-N265 PolarHBondContact O-N 3.14Å; N265-G267 PolarHBondContact O-N 3.22Å | ||
| 266 | S | 52.2 | Low | 75.6 | Confident | 84 Ų | 84 | 45.6 Ų | 45.6 | 59% | 0.587 | 24% | 0.243 | S | C | * | . | trans | -58 | -2.2 | -180 | 49.7 | 0 | 0 | 0 | 0 | 115.7 | N264 Q1392 | N264-S266 VanDerWaalsContact C-N 3.26Å; N264-S266 PolarHBondContact O-N 2.97Å; S266-Q1392 PolarHBondContact OG-NE2 2.81Å; S266-Q1392 PolarHBondContact OG-OE1 3.16Å; S266-Q1392 VanDerWaalsContact OG-OE1 3.06Å | ||
| 267 | G | 54.5 | Low | 75.7 | Confident | 31 Ų | 31 | 50.8 Ų | 50.8 | 32% | 0.32 | 27% | 0.266 | S | S | . | . | trans | 80.1 | 168 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | N265 R269 | N265-G267 PolarHBondContact O-N 3.22Å; G267-R269 PolarHBondContact O-N 3.24Å | ||
| 268 | V | 52.1 | Low | 76 | Confident | 68 Ų | 68 | 49.8 Ų | 49.8 | 41% | 0.412 | 25% | 0.254 | S | S | . | . | trans | -73.6 | 99.5 | 179.9 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | F270 | V268-F270 PolarHBondContact O-N 2.87Š| ||
| 269 | R | 63.1 | Low | 76.1 | Confident | 105 Ų | 105 | 48.6 Ų | 48.6 | 40% | 0.396 | 25% | 0.249 | S | C | . | . | trans | -53.1 | 129.4 | 176.3 | -170.8 | 178.5 | -171.4 | -145.2 | -7.3 | 110 | G267 K271 D721 E723 | G267-R269 PolarHBondContact O-N 3.24Å; R269-K271 WeakPolarHBondContact O-CG 3.47Å; R269-K271 PolarHBondContact O-N 3Å; R269-D721 IonicContact NE-OD2 2.7Å; R269-D721 PolarHBondContact NE-OD2 3.19Å; R269-E723 IonicContact CZ-OE1 2.72Å; R269-E723 IonicContact NH1-OE1 3.58Å; R269-E723 IonicContact NH2-OE1 3.57Å; R269-E723 PolarHBondContact NH2-OE1 3.29Å | ||
| 270 | F | 64.6 | Low | 76.1 | Confident | 127 Ų | 127 | 50.3 Ų | 50.3 | 56% | 0.557 | 26% | 0.258 | S | S | * | . | trans | -67.2 | 101.9 | -175.9 | -177.8 | -98.9 | 0 | 0 | 0 | 112.1 | V268 R272 N386 | V268-F270 PolarHBondContact O-N 2.87Å; F270-R272 HydrophobicContact CD1-CG 4.31Å; F270-R272 HydrophobicContact CE1-CG 3.67Å; F270-R272 HydrophobicContact CZ-CG 4.48Å; F270-N386 VanDerWaalsContact CE2-ND2 3.31Å; F270-N386 WeakPolarHBondContact CE2-ND2 3.37Å | ||
| 271 | K | 74.8 | Confident | 76.4 | Confident | 30 Ų | 30 | 55.6 Ų | 55.6 | 13% | 0.13 | 28% | 0.284 | C | S | . | . | trans | -82.6 | 143.2 | 177 | -49.4 | -165.4 | -173.6 | -176.6 | 0 | 110.2 | R269 N386 I387 I1391 A1394 N1395 D1414 | R269-K271 WeakPolarHBondContact O-CG 3.47Å; R269-K271 PolarHBondContact O-N 3Å; K271-N386 PolarHBondContact O-ND2 2.93Å; K271-I387 HydrophobicContact CB-CD1 4.28Å; K271-I387 HydrophobicContact CB-CG2 4.11Å; K271-I387 HydrophobicContact CD-CD1 4.13Å; K271-I1391 PolarHBondContact NZ-O 2.9Å; K271-I1391 VanDerWaalsContact NZ-O 3.11Å; K271-A1394 PolarHBondContact NZ-O 3.3Å; K271-N1395 VanDerWaalsContact CD-O 3.25Å; K271-N1395 WeakPolarHBondContact CD-O 3.4Å; K271-D1414 WeakPolarHBondContact CE-OD1 3.36Å; K271-D1414 VanDerWaalsContact CE-OD2 3.27Å; K271-D1414 WeakPolarHBondContact CE-OD2 3.18Å; K271-D1414 IonicContact NZ-OD1 2.9Å; K271-D1414 IonicContact NZ-OD2 3.73Å; K271-D1414 PolarHBondContact NZ-OD2 2.83Å | ||
| 272 | R | 79 | Confident | 77.2 | Confident | 113 Ų | 113 | 55.1 Ų | 55.1 | 43% | 0.426 | 28% | 0.28 | S | S | . | . | trans | -117.8 | 132 | 172.9 | -83.4 | -171.7 | 174.8 | 135.1 | 3.1 | 110.6 | F270 E276 K277 | F270-R272 HydrophobicContact CD1-CG 4.31Å; F270-R272 HydrophobicContact CE1-CG 3.67Å; F270-R272 HydrophobicContact CZ-CG 4.48Å; R272-E276 WeakPolarHBondContact CD-OE1 3.47Å; R272-E276 IonicContact NE-OE1 3.57Å; R272-E276 PolarHBondContact NE-OE1 3.31Å; R272-K277 VanDerWaalsContact O-CE 3.3Å; R272-K277 WeakPolarHBondContact O-CE 3.28Å; R272-K277 PolarHBondContact O-NZ 2.97Å | ||
| 273 | S | 87.2 | Confident | 77.8 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -70.1 | 159.9 | -169.4 | 81.5 | 0 | 0 | 0 | 0 | 114.5 | L275 E276 K277 E389 D390 | S273-L275 VanDerWaalsContact C-N 3.33Å; S273-E276 VanDerWaalsContact OG-CB 3.29Å; S273-E276 WeakPolarHBondContact OG-CB 3.45Å; S273-E276 PolarHBondContact OG-N 3.14Å; S273-K277 WeakPolarHBondContact O-CD 3.4Å; S273-K277 WeakPolarHBondContact O-CG 3.44Å; S273-K277 PolarHBondContact O-N 2.81Å; S273-E389 WeakPolarHBondContact CB-OE1 3.26Å; S273-E389 PolarHBondContact OG-OE1 2.82Å; S273-D390 VanDerWaalsContact CA-OD2 3.23Å; S273-D390 WeakPolarHBondContact CA-OD2 3.24Å; S273-D390 WeakPolarHBondContact CB-OD1 3.47Å | ||
| 274 | K | 89.3 | Confident | 78.5 | Confident | 48 Ų | 48 | 54.7 Ų | 54.7 | 21% | 0.209 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.9 | -35.5 | 176 | -175.4 | 168.4 | 173.4 | -179.7 | 0 | 111.6 | Q278 D390 Q1377 | K274-Q278 WeakPolarHBondContact O-CG 3.35Å; K274-Q278 PolarHBondContact O-N 3.49Å; K274-D390 PolarHBondContact N-OD1 3.22Å; K274-Q1377 HydrophobicContact CD-CG 3.54Å |
| 275 | L | 90.5 | Very high | 79.7 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -73.1 | -41.8 | 177.6 | -176.9 | 59.9 | 0 | 0 | 0 | 112.6 | S273 K277 Q278 I279 E389 Y1435 L1438 Y1519 | S273-L275 VanDerWaalsContact C-N 3.33Å; L275-K277 VanDerWaalsContact C-N 3.29Å; L275-K277 PolarHBondContact O-N 3.2Å; L275-Q278 WeakPolarHBondContact O-CB 3.47Å; L275-Q278 PolarHBondContact O-N 3.3Å; L275-I279 HydrophobicContact CD1-CD1 4.33Å; L275-I279 HydrophobicContact CD1-CG1 4.44Å; L275-I279 HydrophobicContact CG-CD1 3.92Å; L275-I279 HydrophobicContact CG-CG1 4.47Å; L275-I279 WeakPolarHBondContact O-CG1 3.48Å; L275-I279 PolarHBondContact O-N 3.2Å; L275-E389 HydrophobicContact CB-CG 3.96Å; L275-E389 HydrophobicContact CD2-CG 4.24Å; L275-Y1435 HydrophobicContact CD1-CE2 4.42Å; L275-Y1435 HydrophobicContact CD2-CD2 4.5Å; L275-L1438 HydrophobicContact CD2-CB 4.03Å; L275-L1438 HydrophobicContact CD2-CD2 3.96Å; L275-L1438 HydrophobicContact CD2-CG 3.84Å; L275-Y1519 HydrophobicContact CD1-CD1 3.84Å; L275-Y1519 HydrophobicContact CD1-CD2 3.68Å; L275-Y1519 HydrophobicContact CD1-CE1 4.34Å; L275-Y1519 HydrophobicContact CD1-CE2 4.19Å; L275-Y1519 HydrophobicContact CD1-CG 3.46Å; L275-Y1519 VanDerWaalsContact CD1-CG 3.46Å |
| 276 | E | 88.7 | Confident | 81.1 | Confident | 26 Ų | 26 | 55.2 Ų | 55.2 | 12% | 0.121 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.6 | -43.5 | 175.8 | -174.5 | -164.8 | 131.1 | 0 | 0 | 110.9 | R272 S273 Q278 I279 N280 | R272-E276 WeakPolarHBondContact CD-OE1 3.47Å; R272-E276 IonicContact NE-OE1 3.57Å; R272-E276 PolarHBondContact NE-OE1 3.31Å; S273-E276 VanDerWaalsContact OG-CB 3.29Å; S273-E276 WeakPolarHBondContact OG-CB 3.45Å; S273-E276 PolarHBondContact OG-N 3.14Å; E276-Q278 PolarHBondContact O-N 3.44Å; E276-I279 PolarHBondContact O-N 2.88Å; E276-N280 WeakPolarHBondContact O-CB 3.16Å; E276-N280 PolarHBondContact O-N 3.33Å; E276-N280 PolarHBondContact O-ND2 3.43Å; E276-N280 PolarHBondContact O-OD1 3Å |
| 277 | K | 88.6 | Confident | 82.9 | Confident | 109 Ų | 109 | 53.8 Ų | 53.8 | 47% | 0.474 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.7 | -31.3 | 175.5 | -69.6 | 165.1 | -173.1 | 160.6 | 0 | 113 | R272 S273 L275 M281 | R272-K277 VanDerWaalsContact O-CE 3.3Å; R272-K277 WeakPolarHBondContact O-CE 3.28Å; R272-K277 PolarHBondContact O-NZ 2.97Å; S273-K277 WeakPolarHBondContact O-CD 3.4Å; S273-K277 WeakPolarHBondContact O-CG 3.44Å; S273-K277 PolarHBondContact O-N 2.81Å; L275-K277 VanDerWaalsContact C-N 3.29Å; L275-K277 PolarHBondContact O-N 3.2Å; K277-M281 WeakPolarHBondContact O-CG 3.47Å |
| 278 | Q | 90.2 | Very high | 84.8 | Confident | 53 Ų | 53 | 56.9 Ų | 56.9 | 25% | 0.248 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -76.9 | -45.4 | 175.2 | -68.1 | 177.3 | 2.7 | 0 | 0 | 111.5 | K274 L275 E276 N280 M281 D282 Y1519 | K274-Q278 WeakPolarHBondContact O-CG 3.35Å; K274-Q278 PolarHBondContact O-N 3.49Å; L275-Q278 WeakPolarHBondContact O-CB 3.47Å; L275-Q278 PolarHBondContact O-N 3.3Å; E276-Q278 PolarHBondContact O-N 3.44Å; Q278-N280 VanDerWaalsContact C-N 3.27Å; Q278-N280 PolarHBondContact O-N 3.28Å; Q278-M281 WeakPolarHBondContact O-CB 3.17Å; Q278-M281 PolarHBondContact O-N 3.25Å; Q278-D282 PolarHBondContact O-N 2.86Å; Q278-D282 VanDerWaalsContact O-N 3.14Å; Q278-Y1519 HydrophobicContact CB-CD1 4.07Å; Q278-Y1519 HydrophobicContact CB-CE1 3.91Å |
| 279 | I | 90.2 | Very high | 86.8 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.3 | -42.2 | 175.2 | -69.2 | 167 | 0 | 0 | 0 | 110.8 | L275 E276 M281 D282 V283 L350 I354 S1442 F1446 Y1519 | L275-I279 HydrophobicContact CD1-CD1 4.33Å; L275-I279 HydrophobicContact CD1-CG1 4.44Å; L275-I279 HydrophobicContact CG-CD1 3.92Å; L275-I279 HydrophobicContact CG-CG1 4.47Å; L275-I279 WeakPolarHBondContact O-CG1 3.48Å; L275-I279 PolarHBondContact O-N 3.2Å; E276-I279 PolarHBondContact O-N 2.88Å; I279-M281 PolarHBondContact O-N 3.4Å; I279-D282 PolarHBondContact O-N 3.3Å; I279-D282 VanDerWaalsContact O-N 3.14Å; I279-V283 WeakPolarHBondContact O-CG2 3.4Å; I279-V283 PolarHBondContact O-N 2.74Å; I279-L350 HydrophobicContact CG2-CD2 4Å; I279-I354 HydrophobicContact CD1-CD1 3.91Å; I279-S1442 WeakPolarHBondContact CD1-OG 3.27Å; I279-F1446 HydrophobicContact CG2-CE2 4.17Å; I279-F1446 HydrophobicContact CG2-CZ 4.07Å; I279-Y1519 HydrophobicContact CG1-CE2 4.26Å; I279-Y1519 WeakPolarHBondContact CG1-OH 3.4Å |
| 280 | N | 87.9 | Confident | 88.3 | Confident | 36 Ų | 36 | 49.9 Ų | 49.9 | 19% | 0.193 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.5 | -32.1 | 176.4 | -68.8 | -19.5 | 0 | 0 | 0 | 113 | E276 Q278 I284 Y351 | E276-N280 WeakPolarHBondContact O-CB 3.16Å; E276-N280 PolarHBondContact O-N 3.33Å; E276-N280 PolarHBondContact O-ND2 3.43Å; E276-N280 PolarHBondContact O-OD1 3Å; Q278-N280 VanDerWaalsContact C-N 3.27Å; Q278-N280 PolarHBondContact O-N 3.28Å; N280-I284 WeakPolarHBondContact O-CG1 3.44Å; N280-I284 PolarHBondContact O-N 3.24Å; N280-Y351 PolarHBondContact OD1-OH 3.01Å |
| 281 | M | 90.2 | Very high | 89.7 | Confident | 114 Ų | 114 | 47 Ų | 47 | 56% | 0.562 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -77.5 | -34.2 | 176.4 | -62.6 | -68.4 | -76 | 0 | 0 | 112 | K277 Q278 I279 I284 W285 | K277-M281 WeakPolarHBondContact O-CG 3.47Å; Q278-M281 WeakPolarHBondContact O-CB 3.17Å; Q278-M281 PolarHBondContact O-N 3.25Å; I279-M281 PolarHBondContact O-N 3.4Å; M281-I284 WeakPolarHBondContact O-CB 3.23Å; M281-I284 PolarHBondContact O-N 3.23Å; M281-I284 HydrophobicContact SD-CD1 4.27Å; M281-W285 VanDerWaalsContact O-CD1 3.24Å; M281-W285 PolarHBondContact O-N 3.11Å; M281-W285 VanDerWaalsContact O-N 3.16Å |
| 282 | D | 92.6 | Very high | 90.7 | Very high | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -74.1 | -29.1 | 175.6 | -72.8 | -3.5 | 0 | 0 | 0 | 111.7 | Q278 I279 I284 W285 C286 F1446 Y1519 F1524 | Q278-D282 PolarHBondContact O-N 2.86Å; Q278-D282 VanDerWaalsContact O-N 3.14Å; I279-D282 PolarHBondContact O-N 3.3Å; I279-D282 VanDerWaalsContact O-N 3.14Å; D282-I284 VanDerWaalsContact C-N 3.33Å; D282-I284 PolarHBondContact O-N 3.44Å; D282-W285 WeakPolarHBondContact O-CB 3.23Å; D282-W285 PolarHBondContact O-N 3.07Å; D282-C286 PolarHBondContact O-N 3.09Å; D282-F1446 HydrophobicContact CB-CE2 4.49Å; D282-Y1519 PolarHBondContact OD2-OH 3.43Å; D282-F1524 HydrophobicContact CB-CD2 3.82Å; D282-F1524 HydrophobicContact CB-CE2 3.96Å; D282-F1524 HydrophobicContact CB-CG 4.2Å; D282-F1524 HydrophobicContact CB-CZ 4.45Å; D282-F1524 WeakPolarHBondContact OD2-CB 3.22Å |
| 283 | V | 90.6 | Very high | 91.4 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.9 | -40.4 | 165.4 | 173 | 0 | 0 | 0 | 0 | 111.6 | I279 W285 C286 V287 I346 L350 F1446 | I279-V283 WeakPolarHBondContact O-CG2 3.4Å; I279-V283 PolarHBondContact O-N 2.74Å; V283-W285 VanDerWaalsContact C-N 3.3Å; V283-W285 PolarHBondContact O-N 2.83Å; V283-C286 WeakPolarHBondContact O-CB 3.35Å; V283-C286 PolarHBondContact O-N 3.5Å; V283-C286 VanDerWaalsContact O-N 3.15Å; V283-V287 PolarHBondContact O-N 2.9Å; V283-I346 HydrophobicContact CG1-CD1 4.01Å; V283-I346 HydrophobicContact CG1-CG1 4.43Å; V283-I346 HydrophobicContact CG1-CG2 4.18Å; V283-L350 HydrophobicContact CG2-CD2 3.84Å; V283-F1446 HydrophobicContact CG2-CE1 3.94Å; V283-F1446 HydrophobicContact CG2-CZ 3.78Å |
| 284 | I | 90.5 | Very high | 91.8 | Very high | 86 Ų | 86 | 45.9 Ų | 45.9 | 44% | 0.441 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.6 | -36.5 | 175.4 | -66.3 | 165.9 | 0 | 0 | 0 | 110.7 | N280 M281 D282 V287 L288 | N280-I284 WeakPolarHBondContact O-CG1 3.44Å; N280-I284 PolarHBondContact O-N 3.24Å; M281-I284 WeakPolarHBondContact O-CB 3.23Å; M281-I284 PolarHBondContact O-N 3.23Å; M281-I284 HydrophobicContact SD-CD1 4.27Å; D282-I284 VanDerWaalsContact C-N 3.33Å; D282-I284 PolarHBondContact O-N 3.44Å; I284-V287 PolarHBondContact O-N 3.29Å; I284-L288 HydrophobicContact CG2-CD1 4.48Å; I284-L288 WeakPolarHBondContact O-CG 3.33Å; I284-L288 PolarHBondContact O-N 3.03Å; I284-L288 VanDerWaalsContact O-N 3.09Å |
| 285 | W | 92.9 | Very high | 92.1 | Very high | 113 Ų | 113 | 46.6 Ų | 46.6 | 43% | 0.428 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.2 | -37.5 | 171.1 | -71.8 | 113.7 | 0 | 0 | 0 | 112.8 | M281 D282 V283 V287 L288 I289 F1524 W1525 | M281-W285 VanDerWaalsContact O-CD1 3.24Å; M281-W285 PolarHBondContact O-N 3.11Å; M281-W285 VanDerWaalsContact O-N 3.16Å; D282-W285 WeakPolarHBondContact O-CB 3.23Å; D282-W285 PolarHBondContact O-N 3.07Å; V283-W285 VanDerWaalsContact C-N 3.3Å; V283-W285 PolarHBondContact O-N 2.83Å; W285-V287 PolarHBondContact O-N 3.45Å; W285-L288 HydrophobicContact CD2-CD1 4.38Å; W285-L288 HydrophobicContact CE3-CB 4.46Å; W285-L288 HydrophobicContact CE3-CD1 3.66Å; W285-L288 HydrophobicContact CZ3-CD1 3.76Å; W285-L288 PolarHBondContact O-N 3.24Å; W285-I289 VanDerWaalsContact O-CG1 3.31Å; W285-I289 WeakPolarHBondContact O-CG1 3.27Å; W285-I289 PolarHBondContact O-N 2.86Å; W285-F1524 HydrophobicContact CB-CE1 3.9Å; W285-F1524 HydrophobicContact CB-CZ 4.21Å; W285-W1525 HydrophobicContact CB-CZ2 4.37Å; W285-W1525 AromaticContact CD2-CZ2 3.9Å; W285-W1525 HydrophobicContact CD2-CZ2 3.9Å; W285-W1525 HydrophobicContact CE3-CH2 4.3Å; W285-W1525 AromaticContact CE3-CZ2 3.76Å; W285-W1525 HydrophobicContact CE3-CZ2 3.76Å; W285-W1525 HydrophobicContact CG-CZ2 4.17Å; W285-W1525 HydrophobicContact CZ3-CZ2 4.37Å |
| 286 | C | 92.9 | Very high | 92.3 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.014 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60 | -41.3 | 170.8 | -73.9 | 0 | 0 | 0 | 0 | 112.6 | D282 V283 L288 I289 L290 I345 I346 | D282-C286 PolarHBondContact O-N 3.09Å; V283-C286 WeakPolarHBondContact O-CB 3.35Å; V283-C286 PolarHBondContact O-N 3.5Å; V283-C286 VanDerWaalsContact O-N 3.15Å; C286-L288 VanDerWaalsContact C-N 3.33Å; C286-L288 PolarHBondContact O-N 2.98Å; C286-I289 PolarHBondContact O-N 3.06Å; C286-L290 WeakPolarHBondContact O-CB 3.22Å; C286-L290 PolarHBondContact O-N 3.43Å; C286-I345 HydrophobicContact CB-CG1 4.44Å; C286-I346 HydrophobicContact CB-CG1 3.95Å |
| 287 | V | 91.3 | Very high | 92.4 | Very high | 54 Ų | 54 | 48.3 Ų | 48.3 | 33% | 0.327 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.8 | -41.9 | 174.3 | 177 | 0 | 0 | 0 | 0 | 111.3 | V283 I284 W285 L290 V291 I346 | V283-V287 PolarHBondContact O-N 2.9Å; I284-V287 PolarHBondContact O-N 3.29Å; W285-V287 PolarHBondContact O-N 3.45Å; V287-L290 WeakPolarHBondContact O-CB 3.38Å; V287-L290 PolarHBondContact O-N 2.95Å; V287-V291 WeakPolarHBondContact O-CG2 3.36Å; V287-V291 PolarHBondContact O-N 3.17Å; V287-I346 HydrophobicContact CG2-CD1 3.72Å |
| 288 | L | 93.6 | Very high | 92.7 | Very high | 95 Ų | 95 | 43.7 Ų | 43.7 | 50% | 0.497 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -67.8 | -37.2 | 178.4 | -68.6 | 170.7 | 0 | 0 | 0 | 112.6 | I284 W285 C286 L292 | I284-L288 HydrophobicContact CG2-CD1 4.48Å; I284-L288 WeakPolarHBondContact O-CG 3.33Å; I284-L288 PolarHBondContact O-N 3.03Å; I284-L288 VanDerWaalsContact O-N 3.09Å; W285-L288 HydrophobicContact CD2-CD1 4.38Å; W285-L288 HydrophobicContact CE3-CB 4.46Å; W285-L288 HydrophobicContact CE3-CD1 3.66Å; W285-L288 HydrophobicContact CZ3-CD1 3.76Å; W285-L288 PolarHBondContact O-N 3.24Å; C286-L288 VanDerWaalsContact C-N 3.33Å; C286-L288 PolarHBondContact O-N 2.98Å; L288-L292 PolarHBondContact O-N 2.75Å |
| 289 | I | 94.3 | Very high | 92.9 | Very high | 22 Ų | 22 | 46.1 Ų | 46.1 | 11% | 0.113 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.1 | -44.2 | 173.1 | -65.3 | 163.7 | 0 | 0 | 0 | 110.3 | W285 C286 V291 L292 V293 I345 F1454 F1524 W1525 I1528 | W285-I289 VanDerWaalsContact O-CG1 3.31Å; W285-I289 WeakPolarHBondContact O-CG1 3.27Å; W285-I289 PolarHBondContact O-N 2.86Å; C286-I289 PolarHBondContact O-N 3.06Å; I289-V291 PolarHBondContact O-N 2.9Å; I289-L292 PolarHBondContact O-N 2.95Å; I289-V293 HydrophobicContact CG2-CG2 4.31Å; I289-V293 WeakPolarHBondContact O-CG2 3.36Å; I289-V293 PolarHBondContact O-N 3.03Å; I289-I345 HydrophobicContact CB-CD1 4.12Å; I289-I345 HydrophobicContact CG2-CD1 3.75Å; I289-F1454 HydrophobicContact CG2-CE1 4.37Å; I289-F1454 HydrophobicContact CG2-CZ 4.22Å; I289-F1524 HydrophobicContact CD1-CE1 4.49Å; I289-W1525 HydrophobicContact CD1-CH2 3.98Å; I289-W1525 HydrophobicContact CD1-CZ3 4.01Å; I289-W1525 HydrophobicContact CG1-CH2 4.26Å; I289-W1525 HydrophobicContact CG1-CZ3 4.5Å; I289-I1528 HydrophobicContact CD1-CG2 4.36Å |
| 290 | L | 94.4 | Very high | 93 | Very high | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.7 | -52.7 | 176.6 | 178.1 | 60.3 | 0 | 0 | 0 | 111.6 | Y65 C286 V287 L292 V293 C294 F342 I345 | Y65-L290 HydrophobicContact CE2-CD2 3.88Å; Y65-L290 WeakPolarHBondContact OH-CD2 3.1Å; C286-L290 WeakPolarHBondContact O-CB 3.22Å; C286-L290 PolarHBondContact O-N 3.43Å; V287-L290 WeakPolarHBondContact O-CB 3.38Å; V287-L290 PolarHBondContact O-N 2.95Å; L290-L292 VanDerWaalsContact C-N 3.28Å; L290-L292 PolarHBondContact O-N 2.91Å; L290-V293 PolarHBondContact O-N 3.31Å; L290-C294 WeakPolarHBondContact O-CB 3.2Å; L290-C294 PolarHBondContact O-N 3.41Å; L290-C294 PolarHBondContact O-SG 3.49Å; L290-F342 HydrophobicContact CD1-CB 3.54Å; L290-I345 HydrophobicContact CB-CD1 4.36Å; L290-I345 HydrophobicContact CB-CG2 3.99Å; L290-I345 HydrophobicContact CD1-CG2 4.11Å; L290-I345 HydrophobicContact CD2-CG2 4.13Å; L290-I345 HydrophobicContact CG-CG2 4.3Å |
| 291 | V | 94.4 | Very high | 93.1 | Very high | 66 Ų | 66 | 45.1 Ų | 45.1 | 40% | 0.4 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.3 | -41 | 180 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | V287 I289 V295 | V287-V291 WeakPolarHBondContact O-CG2 3.36Å; V287-V291 PolarHBondContact O-N 3.17Å; I289-V291 PolarHBondContact O-N 2.9Å; V291-V295 HydrophobicContact CG1-CG2 4.4Å; V291-V295 WeakPolarHBondContact O-CB 3.08Å; V291-V295 VanDerWaalsContact O-CG2 3.27Å; V291-V295 WeakPolarHBondContact O-CG2 3.47Å; V291-V295 PolarHBondContact O-N 3.29Å |
| 292 | L | 95.3 | Very high | 93.1 | Very high | 111 Ų | 111 | 40.6 Ų | 40.6 | 58% | 0.581 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -62 | -48.5 | 176.3 | -172.2 | 156.9 | 0 | 0 | 0 | 111.6 | L288 I289 L290 V295 T296 | L288-L292 PolarHBondContact O-N 2.75Å; I289-L292 PolarHBondContact O-N 2.95Å; L290-L292 VanDerWaalsContact C-N 3.28Å; L290-L292 PolarHBondContact O-N 2.91Å; L292-V295 PolarHBondContact O-N 3Å; L292-T296 HydrophobicContact CD2-CG2 4.3Å; L292-T296 WeakPolarHBondContact O-CG2 3.44Å; L292-T296 PolarHBondContact O-N 3.31Å; L292-T296 PolarHBondContact O-OG1 3.48Å |
| 293 | V | 94 | Very high | 93 | Very high | 9 Ų | 9 | 43.8 Ų | 43.8 | 6% | 0.055 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.5 | -48.4 | 178.3 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | I289 L290 V295 T296 G297 F342 F1454 F1457 | I289-V293 HydrophobicContact CG2-CG2 4.31Å; I289-V293 WeakPolarHBondContact O-CG2 3.36Å; I289-V293 PolarHBondContact O-N 3.03Å; L290-V293 PolarHBondContact O-N 3.31Å; V293-V295 PolarHBondContact O-N 2.74Å; V293-T296 PolarHBondContact O-N 3.28Å; V293-T296 VanDerWaalsContact O-N 3.14Å; V293-T296 PolarHBondContact O-OG1 2.77Å; V293-G297 PolarHBondContact O-N 3Å; V293-F342 HydrophobicContact CG1-CD2 3.74Å; V293-F342 HydrophobicContact CG1-CE2 3.62Å; V293-F342 HydrophobicContact CG1-CG 4.5Å; V293-F342 HydrophobicContact CG1-CZ 4.29Å; V293-F1454 HydrophobicContact CG2-CE1 4.41Å; V293-F1457 HydrophobicContact CG1-CB 4.31Å; V293-F1457 HydrophobicContact CG1-CD2 3.5Å; V293-F1457 VanDerWaalsContact CG1-CD2 3.5Å; V293-F1457 HydrophobicContact CG1-CE2 3.97Å; V293-F1457 HydrophobicContact CG1-CG 3.97Å |
| 294 | C | 95.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.7 | -38.4 | 178 | -61.9 | 0 | 0 | 0 | 0 | 112.7 | L290 G297 A298 F335 F338 V339 | L290-C294 WeakPolarHBondContact O-CB 3.2Å; L290-C294 PolarHBondContact O-N 3.41Å; L290-C294 PolarHBondContact O-SG 3.49Å; C294-G297 PolarHBondContact O-N 3.47Å; C294-A298 VanDerWaalsContact O-CB 3.28Å; C294-A298 WeakPolarHBondContact O-CB 3.19Å; C294-A298 PolarHBondContact O-N 3.03Å; C294-F335 HydrophobicContact CB-CD2 3.69Å; C294-F335 HydrophobicContact CB-CE2 3.56Å; C294-F335 HydrophobicContact CB-CZ 4.46Å; C294-F338 HydrophobicContact CB-CB 4.04Å; C294-V339 HydrophobicContact CB-CG2 3.94Å; C294-V339 VanDerWaalsContact SG-CG2 3.6Å; C294-V339 PolarHBondContact SG-N 3.45Å; C294-V339 VanDerWaalsContact SG-N 3.41Å |
| 295 | V | 95.7 | Very high | 92.4 | Very high | 63 Ų | 63 | 46.9 Ų | 46.9 | 38% | 0.382 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.2 | -42.3 | 173.1 | 166.6 | 0 | 0 | 0 | 0 | 111.2 | V291 L292 V293 G297 A298 I299 F335 | V291-V295 HydrophobicContact CG1-CG2 4.4Å; V291-V295 WeakPolarHBondContact O-CB 3.08Å; V291-V295 VanDerWaalsContact O-CG2 3.27Å; V291-V295 WeakPolarHBondContact O-CG2 3.47Å; V291-V295 PolarHBondContact O-N 3.29Å; L292-V295 PolarHBondContact O-N 3Å; V293-V295 PolarHBondContact O-N 2.74Å; V295-G297 PolarHBondContact O-N 2.97Å; V295-A298 PolarHBondContact O-N 3.24Å; V295-I299 HydrophobicContact CG1-CD1 3.7Å; V295-I299 HydrophobicContact CG1-CG1 4.42Å; V295-I299 WeakPolarHBondContact O-CG1 3.17Å; V295-I299 PolarHBondContact O-N 2.87Å; V295-F335 HydrophobicContact CG2-CD2 4.22Å; V295-F335 HydrophobicContact CG2-CE2 3.86Å |
| 296 | T | 94.4 | Very high | 92 | Very high | 60 Ų | 60 | 48.4 Ų | 48.4 | 37% | 0.368 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.9 | -39.1 | 176.8 | 57.5 | 0 | 0 | 0 | 0 | 112.6 | L292 V293 G300 | L292-T296 HydrophobicContact CD2-CG2 4.3Å; L292-T296 WeakPolarHBondContact O-CG2 3.44Å; L292-T296 PolarHBondContact O-N 3.31Å; L292-T296 PolarHBondContact O-OG1 3.48Å; V293-T296 PolarHBondContact O-N 3.28Å; V293-T296 VanDerWaalsContact O-N 3.14Å; V293-T296 PolarHBondContact O-OG1 2.77Å; T296-G300 PolarHBondContact O-N 2.75Å |
| 297 | G | 92.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.4 | -42.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | V293 C294 V295 G300 S301 | V293-G297 PolarHBondContact O-N 3Å; C294-G297 PolarHBondContact O-N 3.47Å; V295-G297 PolarHBondContact O-N 2.97Å; G297-G300 PolarHBondContact O-N 2.9Å; G297-S301 WeakPolarHBondContact O-CB 3.4Å; G297-S301 PolarHBondContact O-N 2.73Å |
| 298 | A | 94 | Very high | 90.6 | Very high | 12 Ų | 12 | 53.5 Ų | 53.5 | 10% | 0.099 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | C294 V295 S301 A302 G331 F335 | C294-A298 VanDerWaalsContact O-CB 3.28Å; C294-A298 WeakPolarHBondContact O-CB 3.19Å; C294-A298 PolarHBondContact O-N 3.03Å; V295-A298 PolarHBondContact O-N 3.24Å; A298-S301 PolarHBondContact O-N 2.84Å; A298-A302 WeakPolarHBondContact O-CB 3.23Å; A298-A302 PolarHBondContact O-N 2.97Å; A298-G331 VanDerWaalsContact CB-O 3.3Å; A298-G331 WeakPolarHBondContact CB-O 3.32Å; A298-F335 HydrophobicContact CB-CB 3.72Å; A298-F335 HydrophobicContact CB-CD2 4.35Å |
| 299 | I | 94 | Very high | 89.1 | Confident | 104 Ų | 104 | 53.1 Ų | 53.1 | 53% | 0.533 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 174.4 | -67.1 | 166.5 | 0 | 0 | 0 | 110.2 | V295 S301 A302 V303 | V295-I299 HydrophobicContact CG1-CD1 3.7Å; V295-I299 HydrophobicContact CG1-CG1 4.42Å; V295-I299 WeakPolarHBondContact O-CG1 3.17Å; V295-I299 PolarHBondContact O-N 2.87Å; I299-S301 VanDerWaalsContact C-N 3.32Å; I299-S301 PolarHBondContact O-N 3.38Å; I299-A302 PolarHBondContact O-N 2.74Å; I299-V303 HydrophobicContact CG2-CG2 4.31Å; I299-V303 WeakPolarHBondContact O-CB 3.49Å; I299-V303 VanDerWaalsContact O-CG2 3.31Å; I299-V303 WeakPolarHBondContact O-CG2 2.98Å; I299-V303 PolarHBondContact O-N 3.08Å |
| 300 | G | 92.1 | Very high | 87.3 | Confident | 14 Ų | 14 | 54.8 Ų | 54.8 | 14% | 0.144 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57 | -44.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T296 G297 V303 W304 | T296-G300 PolarHBondContact O-N 2.75Å; G297-G300 PolarHBondContact O-N 2.9Å; G300-V303 PolarHBondContact O-N 3.45Å; G300-W304 WeakPolarHBondContact O-CB 3.29Å; G300-W304 PolarHBondContact O-N 3.18Å |
| 301 | S | 90.2 | Very high | 85.5 | Confident | 5 Ų | 5 | 61.4 Ų | 61.4 | 4% | 0.035 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.2 | -46 | 177.1 | -163.3 | 0 | 0 | 0 | 0 | 112.4 | G297 A298 I299 V303 W304 H305 N334 F1465 | G297-S301 WeakPolarHBondContact O-CB 3.4Å; G297-S301 PolarHBondContact O-N 2.73Å; A298-S301 PolarHBondContact O-N 2.84Å; I299-S301 VanDerWaalsContact C-N 3.32Å; I299-S301 PolarHBondContact O-N 3.38Å; S301-V303 PolarHBondContact O-N 3.32Å; S301-W304 PolarHBondContact O-N 3.22Å; S301-H305 WeakPolarHBondContact O-CB 3.06Å; S301-H305 PolarHBondContact O-N 2.69Å; S301-N334 PolarHBondContact OG-ND2 3.2Å; S301-F1465 WeakPolarHBondContact CB-O 3.26Å; S301-F1465 PolarHBondContact OG-O 3.21Å; S301-F1465 VanDerWaalsContact OG-O 3.05Å |
| 302 | A | 89.8 | Confident | 83.6 | Confident | 20 Ų | 20 | 65.4 Ų | 65.4 | 17% | 0.165 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A298 I299 Q306 P327 | A298-A302 WeakPolarHBondContact O-CB 3.23Å; A298-A302 PolarHBondContact O-N 2.97Å; I299-A302 PolarHBondContact O-N 2.74Å; A302-Q306 WeakPolarHBondContact O-CB 3.42Å; A302-Q306 PolarHBondContact O-N 2.81Å; A302-P327 WeakPolarHBondContact CB-O 3.26Å |
| 303 | V | 90.2 | Very high | 81.9 | Confident | 70 Ų | 70 | 61.9 Ų | 61.9 | 42% | 0.424 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -69.3 | -38.4 | 175.9 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | I299 G300 S301 Q306 N307 | I299-V303 HydrophobicContact CG2-CG2 4.31Å; I299-V303 WeakPolarHBondContact O-CB 3.49Å; I299-V303 VanDerWaalsContact O-CG2 3.31Å; I299-V303 WeakPolarHBondContact O-CG2 2.98Å; I299-V303 PolarHBondContact O-N 3.08Å; G300-V303 PolarHBondContact O-N 3.45Å; S301-V303 PolarHBondContact O-N 3.32Å; V303-Q306 PolarHBondContact O-N 2.9Å; V303-N307 PolarHBondContact O-N 2.71Å; V303-N307 PolarHBondContact O-ND2 3.03Å |
| 304 | W | 87.4 | Confident | 80.1 | Confident | 116 Ų | 116 | 69.8 Ų | 69.8 | 44% | 0.439 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.8 | -47.6 | 174.9 | -174.4 | 81.8 | 0 | 0 | 0 | 111.1 | G300 S301 Q306 N307 L308 | G300-W304 WeakPolarHBondContact O-CB 3.29Å; G300-W304 PolarHBondContact O-N 3.18Å; S301-W304 PolarHBondContact O-N 3.22Å; W304-Q306 VanDerWaalsContact C-N 3.34Å; W304-Q306 PolarHBondContact O-N 3.43Å; W304-N307 CarbonylContact O-C 3.59Å; W304-N307 PolarHBondContact O-N 3.41Å; W304-L308 HydrophobicContact CD2-CD1 3.81Å; W304-L308 HydrophobicContact CE3-CD1 3.73Å; W304-L308 HydrophobicContact CH2-CD1 3.71Å; W304-L308 HydrophobicContact CH2-CD2 4.45Å; W304-L308 HydrophobicContact CZ2-CD1 3.78Å; W304-L308 HydrophobicContact CZ3-CD1 3.68Å; W304-L308 HydrophobicContact CZ3-CD2 4.42Å; W304-L308 WeakPolarHBondContact O-CD1 3.26Å; W304-L308 PolarHBondContact O-N 2.96Å |
| 305 | H | 81.8 | Confident | 78.7 | Confident | 43 Ų | 43 | 78.4 Ų | 78.4 | 20% | 0.199 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -66.4 | -32 | 178.9 | -159.7 | 72.1 | 0 | 0 | 0 | 113 | S301 N307 L308 P327 | S301-H305 WeakPolarHBondContact O-CB 3.06Å; S301-H305 PolarHBondContact O-N 2.69Å; H305-N307 VanDerWaalsContact C-N 3.27Å; H305-N307 PolarHBondContact O-N 3.28Å; H305-L308 PolarHBondContact O-N 3.02Å; H305-P327 HydrophobicContact CB-CB 4.46Å |
| 306 | Q | 83.7 | Confident | 77.1 | Confident | 144 Ų | 144 | 78 Ų | 78 | 67% | 0.673 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -66.4 | -27.4 | 171.5 | -177.7 | 176.2 | 6.2 | 0 | 0 | 113.1 | A302 V303 W304 P327 | A302-Q306 WeakPolarHBondContact O-CB 3.42Å; A302-Q306 PolarHBondContact O-N 2.81Å; V303-Q306 PolarHBondContact O-N 2.9Å; W304-Q306 VanDerWaalsContact C-N 3.34Å; W304-Q306 PolarHBondContact O-N 3.43Å; Q306-P327 HydrophobicContact CB-CB 4.45Å; Q306-P327 HydrophobicContact CB-CG 4.48Å |
| 307 | N | 81.8 | Confident | 75.3 | Confident | 121 Ų | 121 | 80 Ų | 80 | 65% | 0.647 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 7.9 | -178.2 | -70.8 | -57.7 | 0 | 0 | 0 | 113.6 | V303 W304 H305 | V303-N307 PolarHBondContact O-N 2.71Å; V303-N307 PolarHBondContact O-ND2 3.03Å; W304-N307 CarbonylContact O-C 3.59Å; W304-N307 PolarHBondContact O-N 3.41Å; H305-N307 VanDerWaalsContact C-N 3.27Å; H305-N307 PolarHBondContact O-N 3.28Å |
| 308 | L | 74.5 | Confident | 73.5 | Confident | 42 Ų | 42 | 83.4 Ų | 83.4 | 22% | 0.22 | 47% | 0.467 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 129.6 | 172.2 | -110.2 | 70.8 | 0 | 0 | 0 | 110.4 | W304 H305 G310 | W304-L308 HydrophobicContact CD2-CD1 3.81Å; W304-L308 HydrophobicContact CE3-CD1 3.73Å; W304-L308 HydrophobicContact CH2-CD1 3.71Å; W304-L308 HydrophobicContact CH2-CD2 4.45Å; W304-L308 HydrophobicContact CZ2-CD1 3.78Å; W304-L308 HydrophobicContact CZ3-CD1 3.68Å; W304-L308 HydrophobicContact CZ3-CD2 4.42Å; W304-L308 WeakPolarHBondContact O-CD1 3.26Å; W304-L308 PolarHBondContact O-N 2.96Å; H305-L308 PolarHBondContact O-N 3.02Å; L308-G310 PolarHBondContact O-N 3.37Å |
| 309 | P | 60.7 | Low | 71.5 | Confident | 88 Ų | 88 | 87.9 Ų | 87.9 | 57% | 0.571 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 129.8 | 163.1 | 28.7 | -31.6 | 0 | 0 | 0 | 108.8 | V313 | P309-V313 HydrophobicContact CG-CG2 3.88Š|
| 310 | G | 57.9 | Low | 69.2 | Low | 57 Ų | 57 | 93.8 Ų | 93.8 | 59% | 0.588 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -68.4 | 142.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L308 D312 | L308-G310 PolarHBondContact O-N 3.37Å; G310-D312 PolarHBondContact O-N 2.78Å |
| 311 | D | 55.9 | Low | 67.2 | Low | 143 Ų | 143 | 98.7 Ų | 98.7 | 77% | 0.765 | 53% | 0.527 | S | S | * | . | S | Bend | trans | 52.2 | -23.5 | 172.4 | -70.1 | 13.4 | 0 | 0 | 0 | 119.8 | V313 | D311-V313 VanDerWaalsContact C-N 3.3Å; D311-V313 PolarHBondContact O-N 3.15Å |
| 312 | D | 54.4 | Low | 65.4 | Low | 151 Ų | 151 | 99.9 Ų | 99.9 | 81% | 0.807 | 54% | 0.535 | S | S | * | . | trans | -76.8 | -8.4 | -175.5 | -78 | -28 | 0 | 0 | 0 | 114.6 | G310 L314 | G310-D312 PolarHBondContact O-N 2.78Å; D312-L314 PolarHBondContact O-N 2.92Å | ||
| 313 | V | 60.1 | Low | 63.6 | Low | 37 Ų | 37 | 103.3 Ų | 103.3 | 22% | 0.224 | 56% | 0.558 | C | S | . | * | trans | -87.3 | 74.9 | -175 | -161.5 | 0 | 0 | 0 | 0 | 111.5 | P309 D311 F315 V316 | P309-V313 HydrophobicContact CG-CG2 3.88Å; D311-V313 VanDerWaalsContact C-N 3.3Å; D311-V313 PolarHBondContact O-N 3.15Å; V313-F315 HydrophobicContact CG1-CD1 4.37Å; V313-F315 HydrophobicContact CG1-CD2 4.17Å; V313-F315 HydrophobicContact CG1-CE1 3.86Å; V313-F315 HydrophobicContact CG1-CE2 3.63Å; V313-F315 HydrophobicContact CG1-CZ 3.46Å; V313-F315 VanDerWaalsContact CG1-CZ 3.46Å; V313-F315 PolarHBondContact O-N 2.85Å; V313-V316 HydrophobicContact CB-CB 4.4Å; V313-V316 HydrophobicContact CB-CG2 4.22Å; V313-V316 HydrophobicContact CG1-CB 4.27Å; V313-V316 HydrophobicContact CG1-CG2 3.61Å; V313-V316 PolarHBondContact O-N 2.78Å | ||
| 314 | L | 55.7 | Low | 61.9 | Low | 175 Ų | 175 | 105.9 Ų | 105.9 | 92% | 0.916 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -43.5 | -26.2 | -172.3 | -163.7 | 75.1 | 0 | 0 | 0 | 117.2 | D312 | D312-L314 PolarHBondContact O-N 2.92Š|
| 315 | F | 65.4 | Low | 60.8 | Low | 180 Ų | 180 | 101.6 Ų | 101.6 | 79% | 0.789 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -6.3 | -176.8 | 53.2 | -95.1 | 0 | 0 | 0 | 114.6 | V313 | V313-F315 HydrophobicContact CG1-CD1 4.37Å; V313-F315 HydrophobicContact CG1-CD2 4.17Å; V313-F315 HydrophobicContact CG1-CE1 3.86Å; V313-F315 HydrophobicContact CG1-CE2 3.63Å; V313-F315 HydrophobicContact CG1-CZ 3.46Å; V313-F315 VanDerWaalsContact CG1-CZ 3.46Å; V313-F315 PolarHBondContact O-N 2.85Å |
| 316 | V | 63.7 | Low | 60.8 | Low | 55 Ų | 55 | 103.5 Ų | 103.5 | 33% | 0.333 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -88.9 | 109.5 | 170.9 | 179.3 | 0 | 0 | 0 | 0 | 107.9 | V313 L318 | V313-V316 HydrophobicContact CB-CB 4.4Å; V313-V316 HydrophobicContact CB-CG2 4.22Å; V313-V316 HydrophobicContact CG1-CB 4.27Å; V313-V316 HydrophobicContact CG1-CG2 3.61Å; V313-V316 PolarHBondContact O-N 2.78Å; V316-L318 HydrophobicContact CG1-CG 4.15Å; V316-L318 PolarHBondContact O-N 2.73Å |
| 317 | A | 55.7 | Low | 60.9 | Low | 102 Ų | 102 | 98.8 Ų | 98.8 | 84% | 0.843 | 56% | 0.559 | S | S | * | * | trans | -72.7 | 70.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | D319 | A317-D319 PolarHBondContact O-N 3.22Š| ||
| 318 | L | 54 | Low | 61.2 | Low | 73 Ų | 73 | 96.6 Ų | 96.6 | 38% | 0.382 | 56% | 0.557 | S | S | . | * | trans | -59.8 | 100.1 | 160.6 | -76.8 | 166.4 | 0 | 0 | 0 | 107.4 | V316 R320 | V316-L318 HydrophobicContact CG1-CG 4.15Å; V316-L318 PolarHBondContact O-N 2.73Å; L318-R320 PolarHBondContact O-N 3.28Å | ||
| 319 | D | 52.8 | Low | 61.8 | Low | 106 Ų | 106 | 99.8 Ų | 99.8 | 57% | 0.567 | 57% | 0.567 | S | S | * | * | trans | -55.4 | 136.9 | 173 | 177.5 | 38.4 | 0 | 0 | 0 | 108.4 | A317 N321 S322 | A317-D319 PolarHBondContact O-N 3.22Å; D319-N321 PolarHBondContact O-N 3.3Å; D319-N321 PolarHBondContact OD2-ND2 3.29Å; D319-S322 VanDerWaalsContact O-CB 3.3Å; D319-S322 WeakPolarHBondContact O-CB 3.42Å; D319-S322 PolarHBondContact O-N 3.28Å; D319-S322 PolarHBondContact O-OG 3.14Å | ||
| 320 | R | 45.9 | Very low | 63 | Low | 228 Ų | 228 | 97.7 Ų | 97.7 | 86% | 0.86 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -8.3 | -158.8 | -138.6 | 171.3 | -174.5 | 165.2 | 1.4 | 113.9 | L318 S323 | L318-R320 PolarHBondContact O-N 3.28Å; R320-S323 PolarHBondContact O-OG 3.03Å |
| 321 | N | 48.8 | Very low | 64.6 | Low | 117 Ų | 117 | 95.2 Ų | 95.2 | 63% | 0.626 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -27.5 | 171.5 | -51.7 | -58.7 | 0 | 0 | 0 | 112.8 | D319 S323 T324 | D319-N321 PolarHBondContact O-N 3.3Å; D319-N321 PolarHBondContact OD2-ND2 3.29Å; N321-S323 VanDerWaalsContact C-N 3.3Å; N321-S323 PolarHBondContact O-N 3.04Å; N321-T324 PolarHBondContact O-N 2.99Å; N321-T324 PolarHBondContact O-OG1 3.21Å |
| 322 | S | 52.2 | Low | 66.3 | Low | 29 Ų | 29 | 93.7 Ų | 93.7 | 20% | 0.203 | 51% | 0.511 | C | S | . | . | G | 310 helix | trans | -72.4 | -16.1 | -172.1 | 70.5 | 0 | 0 | 0 | 0 | 114.6 | D319 T324 S325 | D319-S322 VanDerWaalsContact O-CB 3.3Å; D319-S322 WeakPolarHBondContact O-CB 3.42Å; D319-S322 PolarHBondContact O-N 3.28Å; D319-S322 PolarHBondContact O-OG 3.14Å; S322-T324 PolarHBondContact O-N 2.72Å; S322-S325 WeakPolarHBondContact O-CB 3.41Å; S322-S325 PolarHBondContact O-N 3.4Å; S322-S325 PolarHBondContact O-OG 2.82Å |
| 323 | S | 52.1 | Low | 68 | Low | 93 Ų | 93 | 87.6 Ų | 87.6 | 65% | 0.65 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -61.5 | -11.4 | 173.3 | 53.7 | 0 | 0 | 0 | 0 | 114.1 | R320 N321 | R320-S323 PolarHBondContact O-OG 3.03Å; N321-S323 VanDerWaalsContact C-N 3.3Å; N321-S323 PolarHBondContact O-N 3.04Å |
| 324 | T | 54.8 | Low | 69.4 | Low | 124 Ų | 124 | 86.8 Ų | 86.8 | 76% | 0.761 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -92.4 | -10.9 | 171.8 | 62 | 0 | 0 | 0 | 0 | 113.8 | N321 S322 | N321-T324 PolarHBondContact O-N 2.99Å; N321-T324 PolarHBondContact O-OG1 3.21Å; S322-T324 PolarHBondContact O-N 2.72Å |
| 325 | S | 64.9 | Low | 71.3 | Confident | 25 Ų | 25 | 80.2 Ų | 80.2 | 18% | 0.175 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -82.6 | 126.6 | -175 | 70.5 | 0 | 0 | 0 | 0 | 111.6 | S322 Q330 | S322-S325 WeakPolarHBondContact O-CB 3.41Å; S322-S325 PolarHBondContact O-N 3.4Å; S322-S325 PolarHBondContact O-OG 2.82Å; S325-Q330 PolarHBondContact OG-NE2 3.4Å |
| 326 | T | 82.8 | Confident | 72.6 | Confident | 83 Ų | 83 | 74.8 Ų | 74.8 | 51% | 0.509 | 41% | 0.411 | S | S | . | . | trans | -70.4 | 149.5 | -179.4 | 66.2 | 0 | 0 | 0 | 0 | 111.2 | A328 Y329 Q330 | T326-A328 PolarHBondContact O-N 3.31Å; T326-A328 VanDerWaalsContact O-N 3.11Å; T326-Y329 WeakPolarHBondContact O-CA 3.27Å; T326-Y329 WeakPolarHBondContact O-CB 3.18Å; T326-Y329 PolarHBondContact O-N 3.4Å; T326-Y329 PolarHBondContact OG1-N 2.87Å; T326-Q330 PolarHBondContact O-N 2.88Å; T326-Q330 VanDerWaalsContact O-N 3.09Å | ||
| 327 | P | 84.8 | Confident | 73.9 | Confident | 46 Ų | 46 | 76 Ų | 76 | 30% | 0.299 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -55.7 | -30 | 174.7 | -26.2 | 33.8 | 0 | 0 | 0 | 113.6 | A302 H305 Q306 G331 | A302-P327 WeakPolarHBondContact CB-O 3.26Å; H305-P327 HydrophobicContact CB-CB 4.46Å; Q306-P327 HydrophobicContact CB-CB 4.45Å; Q306-P327 HydrophobicContact CB-CG 4.48Å; P327-G331 PolarHBondContact O-N 2.69Å |
| 328 | A | 87.4 | Confident | 75.7 | Confident | 74 Ų | 74 | 71.1 Ų | 71.1 | 61% | 0.612 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -68.6 | -34.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T326 F332 | T326-A328 PolarHBondContact O-N 3.31Å; T326-A328 VanDerWaalsContact O-N 3.11Å; A328-F332 WeakPolarHBondContact O-CB 3.23Å; A328-F332 PolarHBondContact O-N 3.26Å |
| 329 | Y | 88.5 | Confident | 77.6 | Confident | 110 Ų | 110 | 68.1 Ų | 68.1 | 43% | 0.431 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -70.2 | -42.2 | 174.3 | -176.2 | -101.8 | 0 | 0 | 0 | 111.6 | T326 G331 F332 L333 | T326-Y329 WeakPolarHBondContact O-CA 3.27Å; T326-Y329 WeakPolarHBondContact O-CB 3.18Å; T326-Y329 PolarHBondContact O-N 3.4Å; T326-Y329 PolarHBondContact OG1-N 2.87Å; Y329-G331 PolarHBondContact O-N 3.39Å; Y329-F332 WeakPolarHBondContact O-CB 3.49Å; Y329-F332 PolarHBondContact O-N 3.01Å; Y329-F332 VanDerWaalsContact O-N 3.1Å; Y329-L333 HydrophobicContact CD1-CD1 4.13Å; Y329-L333 HydrophobicContact CD1-CG 4.4Å; Y329-L333 HydrophobicContact CE1-CD1 3.59Å; Y329-L333 HydrophobicContact CE1-CD2 4.46Å; Y329-L333 HydrophobicContact CE1-CG 4.01Å; Y329-L333 PolarHBondContact O-N 3.41Å |
| 330 | Q | 86 | Confident | 79.5 | Confident | 44 Ų | 44 | 63 Ų | 63 | 21% | 0.206 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 173 | -69.1 | -64.2 | -13.5 | 0 | 0 | 111.7 | S325 T326 F332 L333 N334 | S325-Q330 PolarHBondContact OG-NE2 3.4Å; T326-Q330 PolarHBondContact O-N 2.88Å; T326-Q330 VanDerWaalsContact O-N 3.09Å; Q330-F332 VanDerWaalsContact C-N 3.3Å; Q330-F332 PolarHBondContact O-N 3.16Å; Q330-L333 PolarHBondContact O-N 3.47Å; Q330-N334 WeakPolarHBondContact O-CB 3.38Å; Q330-N334 PolarHBondContact O-N 2.94Å; Q330-N334 PolarHBondContact O-ND2 2.92Å |
| 331 | G | 90.1 | Very high | 81.6 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 5% | 0.052 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.7 | -37 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A298 P327 Y329 F335 | A298-G331 VanDerWaalsContact CB-O 3.3Å; A298-G331 WeakPolarHBondContact CB-O 3.32Å; P327-G331 PolarHBondContact O-N 2.69Å; Y329-G331 PolarHBondContact O-N 3.39Å; G331-F335 PolarHBondContact O-N 2.87Å |
| 332 | F | 91.8 | Very high | 83.7 | Confident | 110 Ų | 110 | 46.7 Ų | 46.7 | 48% | 0.482 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -69.8 | -41 | 176.7 | 175.7 | -96.4 | 0 | 0 | 0 | 113.2 | A328 Y329 Q330 F335 W336 | A328-F332 WeakPolarHBondContact O-CB 3.23Å; A328-F332 PolarHBondContact O-N 3.26Å; Y329-F332 WeakPolarHBondContact O-CB 3.49Å; Y329-F332 PolarHBondContact O-N 3.01Å; Y329-F332 VanDerWaalsContact O-N 3.1Å; Q330-F332 VanDerWaalsContact C-N 3.3Å; Q330-F332 PolarHBondContact O-N 3.16Å; F332-F335 WeakPolarHBondContact O-CB 3.32Å; F332-F335 PolarHBondContact O-N 3.06Å; F332-W336 AromaticContact CE1-NE1 3.86Å; F332-W336 AromaticContact CE2-NE1 3.39Å; F332-W336 AromaticContact CZ-CD1 3.88Å; F332-W336 AromaticContact CZ-NE1 3.26Å; F332-W336 VanDerWaalsContact CZ-NE1 3.26Å; F332-W336 VanDerWaalsContact O-CD1 3.27Å |
| 333 | L | 90.7 | Very high | 85.5 | Confident | 23 Ų | 23 | 46.6 Ų | 46.6 | 12% | 0.12 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63 | -47.8 | 172.4 | -68 | -179.8 | 0 | 0 | 0 | 110.7 | D77 I78 Y329 Q330 F335 W336 R337 | D77-L333 HydrophobicContact CB-CD2 4.23Å; I78-L333 HydrophobicContact CD1-CD2 4.5Å; I78-L333 HydrophobicContact CG1-CD2 4.09Å; Y329-L333 HydrophobicContact CD1-CD1 4.13Å; Y329-L333 HydrophobicContact CD1-CG 4.4Å; Y329-L333 HydrophobicContact CE1-CD1 3.59Å; Y329-L333 HydrophobicContact CE1-CD2 4.46Å; Y329-L333 HydrophobicContact CE1-CG 4.01Å; Y329-L333 PolarHBondContact O-N 3.41Å; Q330-L333 PolarHBondContact O-N 3.47Å; L333-F335 VanDerWaalsContact C-N 3.31Å; L333-F335 PolarHBondContact O-N 3.47Å; L333-W336 PolarHBondContact O-N 3.26Å; L333-W336 VanDerWaalsContact O-N 3.16Å; L333-R337 PolarHBondContact O-N 3.31Å |
| 334 | N | 90.4 | Very high | 87.2 | Confident | 20 Ų | 20 | 42.9 Ų | 42.9 | 11% | 0.107 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.2 | -27.8 | 179.9 | -74.3 | -39.2 | 0 | 0 | 0 | 113.1 | S301 Q330 W336 R337 F338 | S301-N334 PolarHBondContact OG-ND2 3.2Å; Q330-N334 WeakPolarHBondContact O-CB 3.38Å; Q330-N334 PolarHBondContact O-N 2.94Å; Q330-N334 PolarHBondContact O-ND2 2.92Å; N334-W336 PolarHBondContact O-N 3.07Å; N334-R337 PolarHBondContact O-N 3.46Å; N334-F338 HydrophobicContact CB-CD2 4.45Å; N334-F338 HydrophobicContact CB-CE2 3.99Å; N334-F338 WeakPolarHBondContact O-CB 3.48Å; N334-F338 WeakPolarHBondContact O-CD2 3.48Å; N334-F338 VanDerWaalsContact O-CG 3.29Å; N334-F338 WeakPolarHBondContact O-CG 3.34Å; N334-F338 PolarHBondContact O-N 3.36Å |
| 335 | F | 94.4 | Very high | 88.9 | Confident | 38 Ų | 38 | 37.2 Ų | 37.2 | 17% | 0.167 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -53.5 | -52.7 | 168.1 | 172.2 | -100.5 | 0 | 0 | 0 | 111.7 | C294 V295 A298 G331 F332 L333 F338 V339 | C294-F335 HydrophobicContact CB-CD2 3.69Å; C294-F335 HydrophobicContact CB-CE2 3.56Å; C294-F335 HydrophobicContact CB-CZ 4.46Å; V295-F335 HydrophobicContact CG2-CD2 4.22Å; V295-F335 HydrophobicContact CG2-CE2 3.86Å; A298-F335 HydrophobicContact CB-CB 3.72Å; A298-F335 HydrophobicContact CB-CD2 4.35Å; G331-F335 PolarHBondContact O-N 2.87Å; F332-F335 WeakPolarHBondContact O-CB 3.32Å; F332-F335 PolarHBondContact O-N 3.06Å; L333-F335 VanDerWaalsContact C-N 3.31Å; L333-F335 PolarHBondContact O-N 3.47Å; F335-F338 PolarHBondContact O-N 3.09Å; F335-V339 HydrophobicContact CE1-CG2 4.09Å; F335-V339 HydrophobicContact CE2-CG2 4.38Å; F335-V339 HydrophobicContact CZ-CG2 3.98Å; F335-V339 WeakPolarHBondContact O-CG2 3.48Å; F335-V339 PolarHBondContact O-N 3.01Å |
| 336 | W | 93.3 | Very high | 90.1 | Very high | 65 Ų | 65 | 36 Ų | 36 | 25% | 0.246 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.7 | -33.4 | -179.7 | -67.3 | 110.9 | 0 | 0 | 0 | 112.2 | F68 L72 I78 F332 L333 N334 F338 V339 I340 | F68-W336 HydrophobicContact CE1-CZ3 4.1Å; F68-W336 HydrophobicContact CZ-CH2 4.25Å; F68-W336 AromaticContact CZ-CZ3 3.82Å; F68-W336 HydrophobicContact CZ-CZ3 3.82Å; L72-W336 HydrophobicContact CD1-CE3 3.72Å; L72-W336 HydrophobicContact CD1-CZ3 3.99Å; L72-W336 HydrophobicContact CD2-CE3 4.25Å; I78-W336 HydrophobicContact CD1-CB 4.14Å; I78-W336 HydrophobicContact CD1-CG 4.47Å; I78-W336 HydrophobicContact CG2-CB 3.43Å; I78-W336 VanDerWaalsContact CG2-CB 3.43Å; F332-W336 AromaticContact CE1-NE1 3.86Å; F332-W336 AromaticContact CE2-NE1 3.39Å; F332-W336 AromaticContact CZ-CD1 3.88Å; F332-W336 AromaticContact CZ-NE1 3.26Å; F332-W336 VanDerWaalsContact CZ-NE1 3.26Å; F332-W336 VanDerWaalsContact O-CD1 3.27Å; L333-W336 PolarHBondContact O-N 3.26Å; L333-W336 VanDerWaalsContact O-N 3.16Å; N334-W336 PolarHBondContact O-N 3.07Å; W336-F338 PolarHBondContact O-N 2.89Å; W336-V339 HydrophobicContact CE3-CB 4.45Å; W336-V339 HydrophobicContact CE3-CG1 4.42Å; W336-V339 HydrophobicContact CE3-CG2 4.45Å; W336-V339 WeakPolarHBondContact O-CB 3.18Å; W336-V339 PolarHBondContact O-N 3.44Å; W336-I340 PolarHBondContact O-N 3.34Å; W336-I340 VanDerWaalsContact O-N 3.14Å |
| 337 | R | 91.6 | Very high | 90.3 | Very high | 80 Ų | 80 | 32.1 Ų | 32.1 | 30% | 0.302 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -61.2 | -43.4 | 172.3 | -155.4 | 175.2 | -152.3 | -166 | 9.5 | 111.7 | D79 A80 L333 N334 V339 I340 I341 S1466 | D79-R337 VanDerWaalsContact O-CZ 3.3Å; D79-R337 PolarHBondContact O-NE 2.97Å; D79-R337 PolarHBondContact O-NH2 3.18Å; A80-R337 HydrophobicContact CB-CG 4.14Å; L333-R337 PolarHBondContact O-N 3.31Å; N334-R337 PolarHBondContact O-N 3.46Å; R337-V339 VanDerWaalsContact C-N 3.34Å; R337-V339 PolarHBondContact O-N 3.23Å; R337-I340 PolarHBondContact O-N 3.14Å; R337-I341 HydrophobicContact CG-CD1 4.07Å; R337-I341 WeakPolarHBondContact O-CD1 3.33Å; R337-I341 VanDerWaalsContact O-CG1 3.29Å; R337-I341 WeakPolarHBondContact O-CG1 3.5Å; R337-I341 PolarHBondContact O-N 2.89Å; R337-S1466 PolarHBondContact NH1-O 3Å |
| 338 | F | 93.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.7 | -35 | 173.2 | -68.6 | -47.6 | 0 | 0 | 0 | 112.8 | C294 N334 F335 W336 I340 I341 F342 Q1460 F1465 | C294-F338 HydrophobicContact CB-CB 4.04Å; N334-F338 HydrophobicContact CB-CD2 4.45Å; N334-F338 HydrophobicContact CB-CE2 3.99Å; N334-F338 WeakPolarHBondContact O-CB 3.48Å; N334-F338 WeakPolarHBondContact O-CD2 3.48Å; N334-F338 VanDerWaalsContact O-CG 3.29Å; N334-F338 WeakPolarHBondContact O-CG 3.34Å; N334-F338 PolarHBondContact O-N 3.36Å; F335-F338 PolarHBondContact O-N 3.09Å; W336-F338 PolarHBondContact O-N 2.89Å; F338-I340 VanDerWaalsContact C-N 3.27Å; F338-I340 PolarHBondContact O-N 3.1Å; F338-I341 HydrophobicContact CD1-CD1 4.14Å; F338-I341 HydrophobicContact CE1-CD1 4.49Å; F338-I341 PolarHBondContact O-N 3Å; F338-F342 HydrophobicContact CB-CD2 3.89Å; F338-F342 HydrophobicContact CB-CE2 3.75Å; F338-F342 AromaticContact CD1-CE2 3.69Å; F338-F342 HydrophobicContact CD1-CE2 3.69Å; F338-F342 AromaticContact CD1-CZ 3.98Å; F338-F342 HydrophobicContact CD1-CZ 3.98Å; F338-F342 AromaticContact CG-CE2 3.92Å; F338-F342 HydrophobicContact CG-CE2 3.92Å; F338-F342 WeakPolarHBondContact O-CB 3.44Å; F338-F342 VanDerWaalsContact O-CD2 3.24Å; F338-F342 WeakPolarHBondContact O-CD2 3.34Å; F338-F342 WeakPolarHBondContact O-CG 3.48Å; F338-F342 PolarHBondContact O-N 2.6Å; F338-Q1460 HydrophobicContact CD1-CG 4.37Å; F338-Q1460 HydrophobicContact CE1-CB 4.28Å; F338-Q1460 HydrophobicContact CE1-CG 3.71Å; F338-Q1460 HydrophobicContact CZ-CG 4.47Å; F338-F1465 HydrophobicContact CE2-CB 4.41Å; F338-F1465 HydrophobicContact CZ-CB 3.99Å; F338-F1465 HydrophobicContact CZ-CD1 4.47Å |
| 339 | V | 93.7 | Very high | 90.2 | Very high | 9 Ų | 9 | 27.8 Ų | 27.8 | 6% | 0.055 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.4 | -36.1 | 173.3 | 165.9 | 0 | 0 | 0 | 0 | 111.7 | I69 L72 C294 F335 W336 R337 | I69-V339 HydrophobicContact CD1-CG1 3.41Å; I69-V339 VanDerWaalsContact CD1-CG1 3.41Å; L72-V339 HydrophobicContact CD1-CG1 4.22Å; C294-V339 HydrophobicContact CB-CG2 3.94Å; C294-V339 VanDerWaalsContact SG-CG2 3.6Å; C294-V339 PolarHBondContact SG-N 3.45Å; C294-V339 VanDerWaalsContact SG-N 3.41Å; F335-V339 HydrophobicContact CE1-CG2 4.09Å; F335-V339 HydrophobicContact CE2-CG2 4.38Å; F335-V339 HydrophobicContact CZ-CG2 3.98Å; F335-V339 WeakPolarHBondContact O-CG2 3.48Å; F335-V339 PolarHBondContact O-N 3.01Å; W336-V339 HydrophobicContact CE3-CB 4.45Å; W336-V339 HydrophobicContact CE3-CG1 4.42Å; W336-V339 HydrophobicContact CE3-CG2 4.45Å; W336-V339 WeakPolarHBondContact O-CB 3.18Å; W336-V339 PolarHBondContact O-N 3.44Å; R337-V339 VanDerWaalsContact C-N 3.34Å; R337-V339 PolarHBondContact O-N 3.23Å |
| 340 | I | 91.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -75.1 | -48.7 | 173.6 | -60.1 | 164.1 | 0 | 0 | 0 | 111.3 | I69 L72 N73 I78 A80 F81 W336 R337 F338 F342 Q343 | I69-I340 HydrophobicContact CG2-CB 4.47Å; I69-I340 HydrophobicContact CG2-CG1 4.28Å; I69-I340 HydrophobicContact CG2-CG2 4.34Å; L72-I340 HydrophobicContact CB-CD1 4.1Å; L72-I340 HydrophobicContact CB-CG1 4.2Å; N73-I340 HydrophobicContact CB-CD1 4.03Å; N73-I340 HydrophobicContact CB-CG2 4.16Å; I78-I340 HydrophobicContact CG2-CD1 3.91Å; I78-I340 WeakPolarHBondContact O-CD1 3.29Å; A80-I340 HydrophobicContact CB-CB 4.37Å; A80-I340 HydrophobicContact CB-CG2 3.98Å; F81-I340 HydrophobicContact CD2-CG2 3.58Å; F81-I340 HydrophobicContact CE2-CG2 3.72Å; W336-I340 PolarHBondContact O-N 3.34Å; W336-I340 VanDerWaalsContact O-N 3.14Å; R337-I340 PolarHBondContact O-N 3.14Å; F338-I340 VanDerWaalsContact C-N 3.27Å; F338-I340 PolarHBondContact O-N 3.1Å; I340-F342 VanDerWaalsContact C-N 3.31Å; I340-F342 PolarHBondContact O-N 3.03Å; I340-Q343 VanDerWaalsContact O-CB 3.23Å; I340-Q343 WeakPolarHBondContact O-CB 3.26Å; I340-Q343 WeakPolarHBondContact O-CG 3.37Å; I340-Q343 PolarHBondContact O-N 2.97Å |
| 341 | I | 90.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58.9 | -42.9 | -178 | -68.7 | 160.8 | 0 | 0 | 0 | 111.3 | A80 R337 F338 Q343 G1467 Q1476 | A80-I341 HydrophobicContact CB-CD1 4.43Å; A80-I341 HydrophobicContact CB-CG1 3.79Å; R337-I341 HydrophobicContact CG-CD1 4.07Å; R337-I341 WeakPolarHBondContact O-CD1 3.33Å; R337-I341 VanDerWaalsContact O-CG1 3.29Å; R337-I341 WeakPolarHBondContact O-CG1 3.5Å; R337-I341 PolarHBondContact O-N 2.89Å; F338-I341 HydrophobicContact CD1-CD1 4.14Å; F338-I341 HydrophobicContact CE1-CD1 4.49Å; F338-I341 PolarHBondContact O-N 3Å; I341-Q343 VanDerWaalsContact C-N 3.29Å; I341-Q343 PolarHBondContact O-N 3.07Å; I341-G1467 WeakPolarHBondContact CD1-O 3.49Å; I341-Q1476 PolarHBondContact O-NE2 3.49Å |
| 342 | F | 92.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 15.6 | -177.7 | -55.6 | -45.1 | 0 | 0 | 0 | 114.1 | L290 V293 F338 I340 T344 I345 I1453 L1456 F1457 Q1460 | L290-F342 HydrophobicContact CD1-CB 3.54Å; V293-F342 HydrophobicContact CG1-CD2 3.74Å; V293-F342 HydrophobicContact CG1-CE2 3.62Å; V293-F342 HydrophobicContact CG1-CG 4.5Å; V293-F342 HydrophobicContact CG1-CZ 4.29Å; F338-F342 HydrophobicContact CB-CD2 3.89Å; F338-F342 HydrophobicContact CB-CE2 3.75Å; F338-F342 AromaticContact CD1-CE2 3.69Å; F338-F342 HydrophobicContact CD1-CE2 3.69Å; F338-F342 AromaticContact CD1-CZ 3.98Å; F338-F342 HydrophobicContact CD1-CZ 3.98Å; F338-F342 AromaticContact CG-CE2 3.92Å; F338-F342 HydrophobicContact CG-CE2 3.92Å; F338-F342 WeakPolarHBondContact O-CB 3.44Å; F338-F342 VanDerWaalsContact O-CD2 3.24Å; F338-F342 WeakPolarHBondContact O-CD2 3.34Å; F338-F342 WeakPolarHBondContact O-CG 3.48Å; F338-F342 PolarHBondContact O-N 2.6Å; I340-F342 VanDerWaalsContact C-N 3.31Å; I340-F342 PolarHBondContact O-N 3.03Å; F342-T344 PolarHBondContact O-N 2.79Å; F342-T344 VanDerWaalsContact O-N 3.07Å; F342-I345 WeakPolarHBondContact O-CG2 3.41Å; F342-I345 PolarHBondContact O-N 2.76Å; F342-I1453 HydrophobicContact CB-CD1 4.2Å; F342-I1453 HydrophobicContact CB-CG2 4.07Å; F342-I1453 HydrophobicContact CD1-CD1 4.37Å; F342-I1453 HydrophobicContact CD1-CG2 4.09Å; F342-I1453 HydrophobicContact CG-CG2 4.26Å; F342-L1456 HydrophobicContact CD1-CB 4.26Å; F342-L1456 HydrophobicContact CE1-CB 3.85Å; F342-F1457 HydrophobicContact CE1-CB 4.1Å; F342-F1457 HydrophobicContact CE2-CD2 4.38Å; F342-F1457 HydrophobicContact CZ-CB 3.98Å; F342-F1457 HydrophobicContact CZ-CD2 4.13Å; F342-Q1460 HydrophobicContact CZ-CG 3.94Å |
| 343 | Q | 90 | Very high | 89.7 | Confident | 28 Ų | 28 | 17.7 Ų | 17.7 | 13% | 0.131 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | -57.4 | -27.7 | -173.3 | 68 | 174.6 | -36 | 0 | 0 | 115.4 | Y65 I69 I340 I341 I345 | Y65-Q343 WeakPolarHBondContact OH-CA 3.41Å; Y65-Q343 PolarHBondContact OH-O 3.37Å; I69-Q343 HydrophobicContact CG1-CB 4.37Å; I69-Q343 HydrophobicContact CG2-CB 3.94Å; I69-Q343 VanDerWaalsContact CG2-OE1 3.27Å; I340-Q343 VanDerWaalsContact O-CB 3.23Å; I340-Q343 WeakPolarHBondContact O-CB 3.26Å; I340-Q343 WeakPolarHBondContact O-CG 3.37Å; I340-Q343 PolarHBondContact O-N 2.97Å; I341-Q343 VanDerWaalsContact C-N 3.29Å; I341-Q343 PolarHBondContact O-N 3.07Å; Q343-I345 PolarHBondContact O-N 3.18Å |
| 344 | T | 87.8 | Confident | 89.7 | Confident | 15 Ų | 15 | 17.2 Ų | 17.2 | 9% | 0.092 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -76.9 | -0.1 | -175.3 | 53.3 | 0 | 0 | 0 | 0 | 114 | F342 I346 D1449 I1453 | F342-T344 PolarHBondContact O-N 2.79Å; F342-T344 VanDerWaalsContact O-N 3.07Å; T344-I346 CarbonylContact O-C 3.41Å; T344-I346 PolarHBondContact O-N 3.25Å; T344-D1449 WeakPolarHBondContact O-CB 3.28Å; T344-I1453 WeakPolarHBondContact OG1-CD1 3.31Å |
| 345 | I | 91.3 | Very high | 89.5 | Confident | 4 Ų | 4 | 17.8 Ų | 17.8 | 2% | 0.021 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | -59 | -25.8 | 172.7 | -164.5 | 172.4 | 0 | 0 | 0 | 113.1 | C286 I289 L290 F342 Q343 I1453 | C286-I345 HydrophobicContact CB-CG1 4.44Å; I289-I345 HydrophobicContact CB-CD1 4.12Å; I289-I345 HydrophobicContact CG2-CD1 3.75Å; L290-I345 HydrophobicContact CB-CD1 4.36Å; L290-I345 HydrophobicContact CB-CG2 3.99Å; L290-I345 HydrophobicContact CD1-CG2 4.11Å; L290-I345 HydrophobicContact CD2-CG2 4.13Å; L290-I345 HydrophobicContact CG-CG2 4.3Å; F342-I345 WeakPolarHBondContact O-CG2 3.41Å; F342-I345 PolarHBondContact O-N 2.76Å; Q343-I345 PolarHBondContact O-N 3.18Å; I345-I1453 HydrophobicContact CB-CG1 3.98Å; I345-I1453 HydrophobicContact CB-CG2 4.35Å; I345-I1453 HydrophobicContact CD1-CG2 4.39Å |
| 346 | I | 89.7 | Confident | 89.2 | Confident | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -97 | 114 | 163 | -58.2 | 177.1 | 0 | 0 | 0 | 105.7 | A62 Y65 F66 V283 C286 V287 T344 L348 | A62-I346 HydrophobicContact CB-CG2 4.27Å; Y65-I346 HydrophobicContact CD1-CB 4.46Å; Y65-I346 HydrophobicContact CD1-CD1 3.78Å; Y65-I346 HydrophobicContact CD2-CD1 4.18Å; Y65-I346 HydrophobicContact CE1-CB 4.21Å; Y65-I346 HydrophobicContact CE1-CD1 3.83Å; Y65-I346 HydrophobicContact CE1-CG1 4.32Å; Y65-I346 HydrophobicContact CE2-CD1 4.23Å; Y65-I346 HydrophobicContact CG-CD1 3.96Å; F66-I346 HydrophobicContact CE1-CB 4.5Å; F66-I346 HydrophobicContact CZ-CB 4.19Å; F66-I346 HydrophobicContact CZ-CG2 3.87Å; F66-I346 WeakPolarHBondContact CZ-O 3.3Å; V283-I346 HydrophobicContact CG1-CD1 4.01Å; V283-I346 HydrophobicContact CG1-CG1 4.43Å; V283-I346 HydrophobicContact CG1-CG2 4.18Å; C286-I346 HydrophobicContact CB-CG1 3.95Å; V287-I346 HydrophobicContact CG2-CD1 3.72Å; T344-I346 CarbonylContact O-C 3.41Å; T344-I346 PolarHBondContact O-N 3.25Å; I346-L348 PolarHBondContact O-N 2.83Å |
| 347 | P | 87.4 | Confident | 89.1 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.078 | C | C | . | . | trans | -62.7 | 114 | -175.9 | -23.2 | 33.1 | 0 | 0 | 0 | 110.8 | P349 L350 L1445 F1446 D1449 | P347-P349 VanDerWaalsContact C-CD 3.46Å; P347-P349 VanDerWaalsContact C-N 3.33Å; P347-L350 HydrophobicContact CB-CB 4.13Å; P347-L350 WeakPolarHBondContact O-CB 3.48Å; P347-L350 PolarHBondContact O-N 3.09Å; P347-L1445 HydrophobicContact CG-CB 4.5Å; P347-L1445 VanDerWaalsContact CG-O 3.3Å; P347-L1445 WeakPolarHBondContact CG-O 3.18Å; P347-F1446 HydrophobicContact CG-CD1 4.18Å; P347-D1449 WeakPolarHBondContact CA-OD2 3.5Å; P347-D1449 WeakPolarHBondContact CB-OD2 3.5Å; P347-D1449 HydrophobicContact CG-CB 4.38Å | ||
| 348 | L | 83.6 | Confident | 89.1 | Confident | 21 Ų | 21 | 12.9 Ų | 12.9 | 11% | 0.11 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50 | -44.5 | 176.1 | -177.6 | 70.6 | 0 | 0 | 0 | 113.4 | F66 P89 V90 T93 I346 L350 V1481 | F66-L348 HydrophobicContact CB-CD1 4.45Å; F66-L348 HydrophobicContact CD1-CD1 3.87Å; F66-L348 HydrophobicContact CD2-CD1 3.57Å; F66-L348 HydrophobicContact CE1-CB 4.32Å; F66-L348 HydrophobicContact CE1-CD1 3.97Å; F66-L348 HydrophobicContact CE2-CD1 3.69Å; F66-L348 HydrophobicContact CG-CD1 3.7Å; F66-L348 HydrophobicContact CZ-CB 4.11Å; F66-L348 HydrophobicContact CZ-CD1 3.9Å; P89-L348 HydrophobicContact CB-CD2 3.3Å; V90-L348 HydrophobicContact CG2-CD1 4.21Å; T93-L348 HydrophobicContact CG2-CD2 4.36Å; T93-L348 HydrophobicContact CG2-CG 4.08Å; I346-L348 PolarHBondContact O-N 2.83Å; L348-L350 VanDerWaalsContact C-N 3.25Å; L348-L350 PolarHBondContact O-N 2.88Å; L348-V1481 HydrophobicContact CD2-CG2 3.97Å |
| 349 | P | 85.7 | Confident | 88.9 | Confident | 9 Ų | 9 | 15.8 Ų | 15.8 | 6% | 0.058 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 1 | 177.6 | 32.6 | -36.5 | 0 | 0 | 0 | 114.5 | P347 Y351 V352 T353 S1480 | P347-P349 VanDerWaalsContact C-CD 3.46Å; P347-P349 VanDerWaalsContact C-N 3.33Å; P349-Y351 PolarHBondContact O-N 3.06Å; P349-V352 PolarHBondContact O-N 3.11Å; P349-V352 VanDerWaalsContact O-N 3.08Å; P349-T353 WeakPolarHBondContact O-CB 3.23Å; P349-T353 PolarHBondContact O-N 2.83Å; P349-T353 PolarHBondContact O-OG1 3.17Å; P349-S1480 VanDerWaalsContact CD-OG 3.31Å; P349-S1480 WeakPolarHBondContact CD-OG 3.49Å |
| 350 | L | 88.5 | Confident | 88.8 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -46.5 | -60.9 | -170.1 | 178.6 | 60.4 | 0 | 0 | 0 | 113.2 | I279 V283 P347 L348 I354 L1445 F1446 | I279-L350 HydrophobicContact CG2-CD2 4Å; V283-L350 HydrophobicContact CG2-CD2 3.84Å; P347-L350 HydrophobicContact CB-CB 4.13Å; P347-L350 WeakPolarHBondContact O-CB 3.48Å; P347-L350 PolarHBondContact O-N 3.09Å; L348-L350 VanDerWaalsContact C-N 3.25Å; L348-L350 PolarHBondContact O-N 2.88Å; L350-I354 HydrophobicContact CD1-CD1 3.77Å; L350-I354 HydrophobicContact CG-CD1 4.09Å; L350-I354 WeakPolarHBondContact O-CB 3.46Å; L350-I354 WeakPolarHBondContact O-CD1 3.4Å; L350-I354 WeakPolarHBondContact O-CG1 3.39Å; L350-I354 PolarHBondContact O-N 3.47Å; L350-I354 VanDerWaalsContact O-N 3.12Å; L350-L1445 HydrophobicContact CD1-CB 4.2Å; L350-L1445 HydrophobicContact CD1-CD1 3.92Å; L350-F1446 HydrophobicContact CD1-CE2 4.45Å; L350-F1446 HydrophobicContact CD1-CZ 4.42Å; L350-F1446 HydrophobicContact CD2-CE1 4Å; L350-F1446 HydrophobicContact CD2-CE2 4.46Å; L350-F1446 HydrophobicContact CD2-CZ 3.68Å |
| 351 | Y | 83.6 | Confident | 88.9 | Confident | 21 Ų | 21 | 17.5 Ų | 17.5 | 8% | 0.082 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -70.4 | -37.7 | -178.8 | -62.5 | -86.7 | 0 | 0 | 0 | 111.5 | A62 N280 P349 T353 I354 E355 | A62-Y351 HydrophobicContact CB-CD2 4.14Å; A62-Y351 HydrophobicContact CB-CE2 3.49Å; A62-Y351 VanDerWaalsContact CB-CE2 3.49Å; N280-Y351 PolarHBondContact OD1-OH 3.01Å; P349-Y351 PolarHBondContact O-N 3.06Å; Y351-T353 PolarHBondContact O-N 3.48Å; Y351-I354 PolarHBondContact O-N 3.2Å; Y351-E355 WeakPolarHBondContact O-CG 3.01Å; Y351-E355 PolarHBondContact O-N 3.12Å |
| 352 | V | 85.7 | Confident | 88.9 | Confident | 20 Ų | 20 | 17.5 Ų | 17.5 | 12% | 0.121 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.7 | -51.3 | 179.1 | -173.4 | 0 | 0 | 0 | 0 | 110.5 | T93 I96 V97 P349 I354 E355 F356 | T93-V352 HydrophobicContact CG2-CG2 3.95Å; I96-V352 HydrophobicContact CG2-CG1 3.92Å; V97-V352 HydrophobicContact CG2-CG2 4.07Å; P349-V352 PolarHBondContact O-N 3.11Å; P349-V352 VanDerWaalsContact O-N 3.08Å; V352-I354 VanDerWaalsContact C-N 3.34Å; V352-I354 PolarHBondContact O-N 3.5Å; V352-E355 PolarHBondContact O-N 3.06Å; V352-F356 HydrophobicContact CG1-CD2 3.89Å; V352-F356 HydrophobicContact CG1-CE2 3.84Å; V352-F356 VanDerWaalsContact O-CD2 3.28Å; V352-F356 WeakPolarHBondContact O-CD2 3.44Å; V352-F356 PolarHBondContact O-N 2.96Å |
| 353 | T | 89.2 | Confident | 88.9 | Confident | 15 Ų | 15 | 22.8 Ų | 22.8 | 9% | 0.092 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60 | -42.9 | 176 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | P349 Y351 V357 L1445 F1489 | P349-T353 WeakPolarHBondContact O-CB 3.23Å; P349-T353 PolarHBondContact O-N 2.83Å; P349-T353 PolarHBondContact O-OG1 3.17Å; Y351-T353 PolarHBondContact O-N 3.48Å; T353-V357 HydrophobicContact CG2-CG2 4.31Å; T353-V357 WeakPolarHBondContact O-CB 3.47Å; T353-V357 WeakPolarHBondContact O-CG2 3.33Å; T353-V357 PolarHBondContact O-N 3.09Å; T353-L1445 HydrophobicContact CG2-CD1 4.15Å; T353-F1489 HydrophobicContact CG2-CB 4.17Å |
| 354 | I | 89.4 | Confident | 89 | Confident | 13 Ų | 13 | 24.9 Ų | 24.9 | 7% | 0.067 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.9 | -49.1 | 176.9 | -73.6 | 167.1 | 0 | 0 | 0 | 111.3 | I279 L350 Y351 V352 F356 V357 K358 L1438 | I279-I354 HydrophobicContact CD1-CD1 3.91Å; L350-I354 HydrophobicContact CD1-CD1 3.77Å; L350-I354 HydrophobicContact CG-CD1 4.09Å; L350-I354 WeakPolarHBondContact O-CB 3.46Å; L350-I354 WeakPolarHBondContact O-CD1 3.4Å; L350-I354 WeakPolarHBondContact O-CG1 3.39Å; L350-I354 PolarHBondContact O-N 3.47Å; L350-I354 VanDerWaalsContact O-N 3.12Å; Y351-I354 PolarHBondContact O-N 3.2Å; V352-I354 VanDerWaalsContact C-N 3.34Å; V352-I354 PolarHBondContact O-N 3.5Å; I354-F356 PolarHBondContact O-N 3.31Å; I354-V357 PolarHBondContact O-N 2.97Å; I354-K358 HydrophobicContact CG2-CD 4.19Å; I354-K358 WeakPolarHBondContact O-CG 3.29Å; I354-K358 PolarHBondContact O-N 2.71Å; I354-L1438 HydrophobicContact CB-CD1 4.44Å; I354-L1438 HydrophobicContact CG1-CD1 4.09Å; I354-L1438 HydrophobicContact CG2-CD1 4.25Å; I354-L1438 HydrophobicContact CG2-CD2 4.49Å |
| 355 | E | 85.6 | Confident | 89.3 | Confident | 33 Ų | 33 | 24.2 Ų | 24.2 | 15% | 0.154 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.9 | -39.9 | -178.1 | -62.4 | -78 | -165.3 | 0 | 0 | 111.9 | R60 Y351 V352 K358 M359 | R60-E355 IonicContact CZ-OE1 3.73Å; R60-E355 VanDerWaalsContact CZ-OE1 3.23Å; R60-E355 IonicContact NH1-OE1 2.67Å; R60-E355 PolarHBondContact NH1-OE1 2.99Å; R60-E355 IonicContact NH2-OE1 3.23Å; R60-E355 PolarHBondContact NH2-OE1 2.69Å; Y351-E355 WeakPolarHBondContact O-CG 3.01Å; Y351-E355 PolarHBondContact O-N 3.12Å; V352-E355 PolarHBondContact O-N 3.06Å; E355-K358 PolarHBondContact O-N 2.98Å; E355-M359 WeakPolarHBondContact O-CB 3.45Å; E355-M359 PolarHBondContact O-N 3.01Å |
| 356 | F | 88.5 | Confident | 89.3 | Confident | 74 Ų | 74 | 25.8 Ų | 25.8 | 33% | 0.325 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -70.3 | -35.3 | 174.2 | -81.2 | -74 | 0 | 0 | 0 | 113.4 | I96 V352 I354 M359 H360 F1489 | I96-F356 HydrophobicContact CG2-CE2 3.37Å; I96-F356 HydrophobicContact CG2-CZ 3.69Å; V352-F356 HydrophobicContact CG1-CD2 3.89Å; V352-F356 HydrophobicContact CG1-CE2 3.84Å; V352-F356 VanDerWaalsContact O-CD2 3.28Å; V352-F356 WeakPolarHBondContact O-CD2 3.44Å; V352-F356 PolarHBondContact O-N 2.96Å; I354-F356 PolarHBondContact O-N 3.31Å; F356-M359 HydrophobicContact CD1-CE 4.06Å; F356-M359 HydrophobicContact CD1-SD 4.44Å; F356-M359 HydrophobicContact CE1-CE 3.98Å; F356-M359 PolarHBondContact O-N 2.91Å; F356-H360 WeakPolarHBondContact O-CB 3.32Å; F356-H360 PolarHBondContact O-N 2.88Å; F356-F1489 HydrophobicContact CB-CD2 4.31Å; F356-F1489 HydrophobicContact CB-CE2 3.83Å |
| 357 | V | 92.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.6 | -48.6 | 171.8 | 166.1 | 0 | 0 | 0 | 0 | 109.8 | T353 I354 M359 H360 Q361 L1438 F1489 G1492 I1493 | T353-V357 HydrophobicContact CG2-CG2 4.31Å; T353-V357 WeakPolarHBondContact O-CB 3.47Å; T353-V357 WeakPolarHBondContact O-CG2 3.33Å; T353-V357 PolarHBondContact O-N 3.09Å; I354-V357 PolarHBondContact O-N 2.97Å; V357-M359 PolarHBondContact O-N 3.18Å; V357-H360 PolarHBondContact O-N 3.18Å; V357-Q361 HydrophobicContact CG1-CG 4.28Å; V357-Q361 WeakPolarHBondContact O-CB 3.04Å; V357-Q361 VanDerWaalsContact O-CG 3.31Å; V357-Q361 WeakPolarHBondContact O-CG 3.45Å; V357-Q361 PolarHBondContact O-N 3.32Å; V357-L1438 HydrophobicContact CB-CD1 4.33Å; V357-L1438 HydrophobicContact CG1-CD1 3.88Å; V357-F1489 HydrophobicContact CG2-CD2 3.97Å; V357-G1492 VanDerWaalsContact CG1-O 3.29Å; V357-G1492 WeakPolarHBondContact CG1-O 3.11Å; V357-I1493 HydrophobicContact CG1-CG1 4.47Å; V357-I1493 HydrophobicContact CG2-CG1 4.28Å |
| 358 | K | 91.8 | Very high | 89.6 | Confident | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.017 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.8 | -48 | 175.9 | -71.6 | -179.2 | 179.4 | -163.2 | 0 | 112.1 | I354 E355 H360 Q361 V362 N386 P388 E389 L1438 | I354-K358 HydrophobicContact CG2-CD 4.19Å; I354-K358 WeakPolarHBondContact O-CG 3.29Å; I354-K358 PolarHBondContact O-N 2.71Å; E355-K358 PolarHBondContact O-N 2.98Å; K358-H360 VanDerWaalsContact C-N 3.29Å; K358-H360 PolarHBondContact O-N 2.99Å; K358-Q361 WeakPolarHBondContact O-CB 3.37Å; K358-Q361 PolarHBondContact O-N 3.37Å; K358-V362 WeakPolarHBondContact O-CB 3.3Å; K358-V362 WeakPolarHBondContact O-CG2 3.48Å; K358-V362 PolarHBondContact O-N 3.12Å; K358-N386 PolarHBondContact NZ-O 2.69Å; K358-P388 HydrophobicContact CB-CG 3.93Å; K358-P388 HydrophobicContact CD-CG 4.39Å; K358-P388 HydrophobicContact CG-CG 3.82Å; K358-E389 VanDerWaalsContact CE-CD 3.45Å; K358-E389 WeakPolarHBondContact CE-OE1 3.49Å; K358-E389 WeakPolarHBondContact CE-OE2 3.43Å; K358-E389 VanDerWaalsContact NZ-CD 3.34Å; K358-E389 IonicContact NZ-OE1 3.21Å; K358-E389 PolarHBondContact NZ-OE1 3.48Å; K358-E389 IonicContact NZ-OE2 3.77Å; K358-E389 PolarHBondContact NZ-OE2 3.42Å; K358-L1438 HydrophobicContact CG-CD2 4.21Å |
| 359 | M | 87.8 | Confident | 90 | Very high | 62 Ų | 62 | 36.5 Ų | 36.5 | 31% | 0.305 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -57.3 | -41.5 | 176.9 | -169.6 | -165.4 | -56.3 | 0 | 0 | 112 | K100 E355 F356 V357 W363 | K100-M359 HydrophobicContact CB-CE 4.32Å; K100-M359 HydrophobicContact CG-CE 3.47Å; K100-M359 VanDerWaalsContact CG-CE 3.47Å; E355-M359 WeakPolarHBondContact O-CB 3.45Å; E355-M359 PolarHBondContact O-N 3.01Å; F356-M359 HydrophobicContact CD1-CE 4.06Å; F356-M359 HydrophobicContact CD1-SD 4.44Å; F356-M359 HydrophobicContact CE1-CE 3.98Å; F356-M359 PolarHBondContact O-N 2.91Å; V357-M359 PolarHBondContact O-N 3.18Å; M359-W363 WeakPolarHBondContact O-CB 3.37Å; M359-W363 PolarHBondContact O-N 2.78Å |
| 360 | H | 91.9 | Very high | 90.3 | Very high | 41 Ų | 41 | 40.9 Ų | 40.9 | 19% | 0.19 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -77.6 | -28.8 | 179.1 | -160.7 | -39.2 | 0 | 0 | 0 | 112.9 | F356 V357 K358 W363 H364 I1493 W1494 | F356-H360 WeakPolarHBondContact O-CB 3.32Å; F356-H360 PolarHBondContact O-N 2.88Å; V357-H360 PolarHBondContact O-N 3.18Å; K358-H360 VanDerWaalsContact C-N 3.29Å; K358-H360 PolarHBondContact O-N 2.99Å; H360-W363 AromaticContact CE1-CE3 3.47Å; H360-W363 VanDerWaalsContact CE1-CE3 3.47Å; H360-W363 AromaticContact CE1-CZ3 3.46Å; H360-W363 VanDerWaalsContact CE1-CZ3 3.46Å; H360-W363 WeakPolarHBondContact CE1-CZ3 3.25Å; H360-W363 AromaticContact ND1-CE3 3.71Å; H360-W363 PolarHBondContact O-N 3.23Å; H360-H364 AromaticContact CE1-CD2 3.7Å; H360-H364 AromaticContact CE1-NE2 3.18Å; H360-H364 PolarHBondContact CE1-NE2 2.92Å; H360-H364 AromaticContact ND1-CD2 3.38Å; H360-H364 PolarHBondContact ND1-CD2 3.22Å; H360-H364 AromaticContact ND1-NE2 3.49Å; H360-H364 PolarHBondContact ND1-NE2 3.5Å; H360-H364 PolarHBondContact O-CD2 2.73Å; H360-H364 PolarHBondContact O-N 3.29Å; H360-I1493 HydrophobicContact CB-CD1 3.67Å; H360-I1493 HydrophobicContact CB-CG1 3.97Å; H360-I1493 HydrophobicContact CB-CG2 4.47Å; H360-W1494 AromaticContact CE1-CH2 3.87Å; H360-W1494 AromaticContact CE1-CZ2 3.66Å; H360-W1494 AromaticContact NE2-CH2 3.34Å; H360-W1494 VanDerWaalsContact NE2-CH2 3.34Å; H360-W1494 WeakPolarHBondContact NE2-CH2 3.5Å; H360-W1494 AromaticContact NE2-CZ2 3.59Å |
| 361 | Q | 93.9 | Very high | 90.5 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 2% | 0.023 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.4 | -47.9 | 168.8 | -74.2 | 174.1 | -4.7 | 0 | 0 | 110.8 | V357 K358 W363 H364 M365 C1434 G1492 | V357-Q361 HydrophobicContact CG1-CG 4.28Å; V357-Q361 WeakPolarHBondContact O-CB 3.04Å; V357-Q361 VanDerWaalsContact O-CG 3.31Å; V357-Q361 WeakPolarHBondContact O-CG 3.45Å; V357-Q361 PolarHBondContact O-N 3.32Å; K358-Q361 WeakPolarHBondContact O-CB 3.37Å; K358-Q361 PolarHBondContact O-N 3.37Å; Q361-W363 VanDerWaalsContact C-N 3.3Å; Q361-W363 PolarHBondContact O-N 3.41Å; Q361-H364 WeakPolarHBondContact O-CB 3.27Å; Q361-H364 PolarHBondContact O-N 3.12Å; Q361-M365 PolarHBondContact O-N 3.4Å; Q361-C1434 PolarHBondContact NE2-O 3.5Å; Q361-G1492 PolarHBondContact NE2-O 3.21Å |
| 362 | V | 91.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.4 | -37.6 | 173.7 | 169.2 | 0 | 0 | 0 | 0 | 111.8 | K358 M365 N366 I382 F385 P388 | K358-V362 WeakPolarHBondContact O-CB 3.3Å; K358-V362 WeakPolarHBondContact O-CG2 3.48Å; K358-V362 PolarHBondContact O-N 3.12Å; V362-M365 HydrophobicContact CG2-CE 4.01Å; V362-M365 PolarHBondContact O-N 3.46Å; V362-N366 WeakPolarHBondContact CG1-ND2 3.49Å; V362-N366 WeakPolarHBondContact O-CB 3.16Å; V362-N366 PolarHBondContact O-N 3.29Å; V362-N366 PolarHBondContact O-ND2 2.96Å; V362-I382 HydrophobicContact CG1-CB 3.98Å; V362-I382 HydrophobicContact CG1-CD1 3.99Å; V362-I382 HydrophobicContact CG1-CG2 3.76Å; V362-I382 HydrophobicContact CG2-CG2 4.28Å; V362-F385 HydrophobicContact CB-CD1 4.18Å; V362-F385 HydrophobicContact CB-CE1 4.3Å; V362-F385 HydrophobicContact CG1-CD1 3.68Å; V362-F385 HydrophobicContact CG1-CE1 3.44Å; V362-F385 VanDerWaalsContact CG1-CE1 3.44Å; V362-F385 HydrophobicContact CG1-CG 4.33Å; V362-F385 HydrophobicContact CG1-CZ 3.9Å; V362-F385 HydrophobicContact CG2-CD1 4.5Å; V362-P388 HydrophobicContact CG2-CB 4.12Å; V362-P388 HydrophobicContact CG2-CG 4.26Å |
| 363 | W | 91.1 | Very high | 90.8 | Very high | 111 Ų | 111 | 42.7 Ų | 42.7 | 42% | 0.42 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.2 | -35.9 | 172.1 | -179.8 | 94.8 | 0 | 0 | 0 | 113 | M359 H360 Q361 N367 R580 | M359-W363 WeakPolarHBondContact O-CB 3.37Å; M359-W363 PolarHBondContact O-N 2.78Å; H360-W363 AromaticContact CE1-CE3 3.47Å; H360-W363 VanDerWaalsContact CE1-CE3 3.47Å; H360-W363 AromaticContact CE1-CZ3 3.46Å; H360-W363 VanDerWaalsContact CE1-CZ3 3.46Å; H360-W363 WeakPolarHBondContact CE1-CZ3 3.25Å; H360-W363 AromaticContact ND1-CE3 3.71Å; H360-W363 PolarHBondContact O-N 3.23Å; Q361-W363 VanDerWaalsContact C-N 3.3Å; Q361-W363 PolarHBondContact O-N 3.41Å; W363-N367 PolarHBondContact O-N 3.02Å; W363-N367 PolarHBondContact O-ND2 2.72Å; W363-R580 VanDerWaalsContact CZ2-CZ 3.42Å |
| 364 | H | 92.5 | Very high | 90.6 | Very high | 73 Ų | 73 | 48.3 Ų | 48.3 | 34% | 0.338 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.4 | -43.4 | 173.6 | -87.5 | -61.8 | 0 | 0 | 0 | 111.7 | H360 Q361 N367 D368 I1493 W1494 | H360-H364 AromaticContact CE1-CD2 3.7Å; H360-H364 AromaticContact CE1-NE2 3.18Å; H360-H364 PolarHBondContact CE1-NE2 2.92Å; H360-H364 AromaticContact ND1-CD2 3.38Å; H360-H364 PolarHBondContact ND1-CD2 3.22Å; H360-H364 AromaticContact ND1-NE2 3.49Å; H360-H364 PolarHBondContact ND1-NE2 3.5Å; H360-H364 PolarHBondContact O-CD2 2.73Å; H360-H364 PolarHBondContact O-N 3.29Å; Q361-H364 WeakPolarHBondContact O-CB 3.27Å; Q361-H364 PolarHBondContact O-N 3.12Å; H364-N367 CarbonylContact O-C 3.55Å; H364-N367 PolarHBondContact O-N 2.69Å; H364-N367 VanDerWaalsContact O-N 3.14Å; H364-D368 PolarHBondContact O-N 3.36Å; H364-I1493 WeakPolarHBondContact NE2-CG2 3.45Å; H364-W1494 AromaticContact CE1-NE1 3.48Å; H364-W1494 PolarHBondContact CE1-NE1 3.15Å; H364-W1494 AromaticContact NE2-CD1 3.56Å; H364-W1494 AromaticContact NE2-CD2 3.8Å; H364-W1494 AromaticContact NE2-CE2 2.9Å; H364-W1494 AromaticContact NE2-CZ2 3.14Å; H364-W1494 WeakPolarHBondContact NE2-CZ2 3.38Å; H364-W1494 AromaticContact NE2-NE1 2.74Å; H364-W1494 PolarHBondContact NE2-NE1 2.89Å |
| 365 | M | 94.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.1 | -49.3 | 175.8 | -70.1 | -170.7 | -79.4 | 0 | 0 | 111.9 | Q361 V362 N367 D368 I380 I382 P388 L391 F1415 L1426 H1430 | Q361-M365 PolarHBondContact O-N 3.4Å; V362-M365 HydrophobicContact CG2-CE 4.01Å; V362-M365 PolarHBondContact O-N 3.46Å; M365-N367 PolarHBondContact O-N 2.86Å; M365-D368 PolarHBondContact O-N 3.11Å; M365-D368 VanDerWaalsContact O-N 3.15Å; M365-I380 WeakPolarHBondContact O-CG2 3.35Å; M365-I382 HydrophobicContact CB-CD1 3.63Å; M365-I382 HydrophobicContact CE-CD1 4.04Å; M365-I382 HydrophobicContact SD-CD1 4.34Å; M365-P388 HydrophobicContact CE-CB 3.71Å; M365-L391 HydrophobicContact CE-CD1 4.48Å; M365-L391 HydrophobicContact SD-CD1 4.13Å; M365-F1415 HydrophobicContact CE-CE1 4.11Å; M365-L1426 HydrophobicContact SD-CD1 3.79Å; M365-H1430 HydrophobicContact CG-CB 3.82Å; M365-H1430 HydrophobicContact SD-CB 3.73Å |
| 366 | N | 91 | Very high | 89.8 | Confident | 37 Ų | 37 | 56.2 Ų | 56.2 | 20% | 0.198 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -5.1 | 176.6 | -76.9 | -56.9 | 0 | 0 | 0 | 115.1 | V362 I380 | V362-N366 WeakPolarHBondContact CG1-ND2 3.49Å; V362-N366 WeakPolarHBondContact O-CB 3.16Å; V362-N366 PolarHBondContact O-N 3.29Å; V362-N366 PolarHBondContact O-ND2 2.96Å; N366-I380 PolarHBondContact OD1-O 3.17Å |
| 367 | N | 90.9 | Very high | 89.6 | Confident | 69 Ų | 69 | 57.8 Ų | 57.8 | 37% | 0.369 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.6 | 11.5 | 178.4 | -71.6 | -78.4 | 0 | 0 | 0 | 113 | W363 H364 M365 L369 R580 | W363-N367 PolarHBondContact O-N 3.02Å; W363-N367 PolarHBondContact O-ND2 2.72Å; H364-N367 CarbonylContact O-C 3.55Å; H364-N367 PolarHBondContact O-N 2.69Å; H364-N367 VanDerWaalsContact O-N 3.14Å; M365-N367 PolarHBondContact O-N 2.86Å; N367-L369 PolarHBondContact O-N 2.86Å; N367-R580 PolarHBondContact ND2-NH1 2.88Å; N367-R580 VanDerWaalsContact ND2-NH1 3.12Å; N367-R580 PolarHBondContact OD1-NH1 3.04Å |
| 368 | D | 93.4 | Very high | 88.9 | Confident | 25 Ų | 25 | 61.5 Ų | 61.5 | 13% | 0.134 | 29% | 0.294 | C | S | . | . | trans | -80.1 | 115.5 | 173.7 | -166.8 | -18.2 | 0 | 0 | 0 | 110.5 | H364 M365 Q370 L371 R1425 H1430 | H364-D368 PolarHBondContact O-N 3.36Å; M365-D368 PolarHBondContact O-N 3.11Å; M365-D368 VanDerWaalsContact O-N 3.15Å; D368-Q370 PolarHBondContact O-N 3.42Å; D368-Q370 PolarHBondContact OD1-N 3.4Å; D368-L371 HydrophobicContact CB-CB 4.3Å; D368-L371 HydrophobicContact CB-CD1 4.17Å; D368-L371 HydrophobicContact CB-CG 4.15Å; D368-L371 PolarHBondContact O-N 2.9Å; D368-R1425 IonicContact OD1-CZ 2.92Å; D368-R1425 IonicContact OD1-NE 3.72Å; D368-R1425 IonicContact OD1-NH2 2.64Å; D368-R1425 IonicContact OD2-CZ 3.21Å; D368-R1425 IonicContact OD2-NE 2.74Å; D368-R1425 PolarHBondContact OD2-NE 3.36Å; D368-R1425 IonicContact OD2-NH2 3.87Å; D368-R1425 PolarHBondContact OD2-NH2 3.38Å; D368-H1430 IonicContact OD2-CD2 3.6Å; D368-H1430 IonicContact OD2-CE1 2.75Å; D368-H1430 PolarHBondContact OD2-CE1 3.23Å; D368-H1430 IonicContact OD2-NE2 3.59Å; D368-H1430 PolarHBondContact OD2-NE2 3Å | ||
| 369 | L | 91.2 | Very high | 88.7 | Confident | 154 Ų | 154 | 68.1 Ų | 68.1 | 81% | 0.806 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -65.4 | -14.4 | 178.7 | -65.4 | 172.3 | 0 | 0 | 0 | 113.4 | N367 | N367-L369 PolarHBondContact O-N 2.86Š|
| 370 | Q | 92.1 | Very high | 88.7 | Confident | 100 Ų | 100 | 65.2 Ų | 65.2 | 47% | 0.467 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -91.9 | 4.4 | 171.5 | -68 | 176.1 | 48.2 | 0 | 0 | 113.1 | D368 L1422 R1425 | D368-Q370 PolarHBondContact O-N 3.42Å; D368-Q370 PolarHBondContact OD1-N 3.4Å; Q370-L1422 WeakPolarHBondContact O-CD2 3.47Å; Q370-R1425 VanDerWaalsContact CB-CD 3.43Å; Q370-R1425 VanDerWaalsContact CD-NH1 3.34Å |
| 371 | L | 92.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -113.3 | 32.6 | 168.4 | -63.6 | 179.7 | 0 | 0 | 0 | 111.1 | D368 R379 I380 L1422 R1425 L1426 | D368-L371 HydrophobicContact CB-CB 4.3Å; D368-L371 HydrophobicContact CB-CD1 4.17Å; D368-L371 HydrophobicContact CB-CG 4.15Å; D368-L371 PolarHBondContact O-N 2.9Å; L371-R379 CarbonylContact O-C 3.49Å; L371-R379 WeakPolarHBondContact O-CA 3.5Å; L371-I380 HydrophobicContact CB-CB 4.2Å; L371-I380 HydrophobicContact CB-CG2 3.87Å; L371-I380 HydrophobicContact CD1-CD1 4.13Å; L371-I380 HydrophobicContact CD1-CG2 4.17Å; L371-I380 PolarHBondContact O-N 3.17Å; L371-L1422 HydrophobicContact CD2-CB 4.17Å; L371-R1425 HydrophobicContact CD2-CB 4.08Å; L371-R1425 HydrophobicContact CD2-CG 4.29Å; L371-L1426 HydrophobicContact CD1-CD1 4.47Å |
| 372 | Y | 90 | Very high | 88 | Confident | 74 Ų | 74 | 67.3 Ų | 67.3 | 29% | 0.29 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 129.6 | 178.2 | 166.7 | -95.2 | 0 | 0 | 0 | 109.2 | N374 D377 R379 | Y372-N374 WeakPolarHBondContact CE1-OD1 3.33Å; Y372-D377 WeakPolarHBondContact CE2-OD1 3.41Å; Y372-D377 PolarHBondContact OH-OD1 2.76Å; Y372-R379 HydrophobicContact CD2-CB 4.19Å |
| 373 | D | 86.4 | Confident | 87.3 | Confident | 5 Ų | 5 | 70.2 Ų | 70.2 | 3% | 0.027 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 115.4 | 176.7 | -178.4 | 4 | 0 | 0 | 0 | 110.2 | H375 L376 D377 R378 S1418 R1419 | D373-H375 PolarHBondContact O-N 3.49Å; D373-H375 WeakPolarHBondContact OD1-CB 3.38Å; D373-H375 IonicContact OD1-CD2 2.74Å; D373-H375 PolarHBondContact OD1-CD2 3.13Å; D373-H375 IonicContact OD1-CG 3.3Å; D373-H375 PolarHBondContact OD1-N 2.92Å; D373-L376 PolarHBondContact O-N 2.74Å; D373-D377 PolarHBondContact O-N 2.91Å; D373-D377 VanDerWaalsContact O-N 3.16Å; D373-R378 PolarHBondContact N-O 3.15Å; D373-R378 PolarHBondContact O-N 3.15Å; D373-S1418 WeakPolarHBondContact CB-OG 3.3Å; D373-R1419 VanDerWaalsContact OD2-CG 3.26Å; D373-R1419 WeakPolarHBondContact OD2-CG 3.48Å; D373-R1419 IonicContact OD2-CZ 3.39Å; D373-R1419 IonicContact OD2-NE 2.65Å; D373-R1419 PolarHBondContact OD2-NE 2.98Å; D373-R1419 IonicContact OD2-NH2 3.86Å |
| 374 | N | 84.2 | Confident | 86.8 | Confident | 134 Ų | 134 | 65.2 Ų | 65.2 | 72% | 0.717 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -29.1 | 176.9 | -64.8 | -31.7 | 0 | 0 | 0 | 113 | Y372 | Y372-N374 WeakPolarHBondContact CE1-OD1 3.33Š|
| 375 | H | 81 | Confident | 86.3 | Confident | 163 Ų | 163 | 64.1 Ų | 64.1 | 76% | 0.755 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -23.1 | -175.6 | -67.4 | -84.7 | 0 | 0 | 0 | 113.4 | D373 | D373-H375 PolarHBondContact O-N 3.49Å; D373-H375 WeakPolarHBondContact OD1-CB 3.38Å; D373-H375 IonicContact OD1-CD2 2.74Å; D373-H375 PolarHBondContact OD1-CD2 3.13Å; D373-H375 IonicContact OD1-CG 3.3Å; D373-H375 PolarHBondContact OD1-N 2.92Å |
| 376 | L | 78.2 | Confident | 85.8 | Confident | 49 Ų | 49 | 65.2 Ų | 65.2 | 26% | 0.257 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | -4.2 | -176.3 | -68.2 | 175.8 | 0 | 0 | 0 | 113.5 | D373 R378 | D373-L376 PolarHBondContact O-N 2.74Å; L376-R378 HydrophobicContact CB-CB 4.18Å; L376-R378 HydrophobicContact CB-CG 4.32Å; L376-R378 WeakPolarHBondContact O-CG 3.34Å; L376-R378 PolarHBondContact O-N 3.22Å |
| 377 | D | 83.3 | Confident | 85.8 | Confident | 106 Ų | 106 | 63.4 Ų | 63.4 | 57% | 0.567 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.4 | 41.5 | -167.6 | -162.4 | -2.8 | 0 | 0 | 0 | 111.9 | Y372 D373 | Y372-D377 WeakPolarHBondContact CE2-OD1 3.41Å; Y372-D377 PolarHBondContact OH-OD1 2.76Å; D373-D377 PolarHBondContact O-N 2.91Å; D373-D377 VanDerWaalsContact O-N 3.16Å |
| 378 | R | 78.6 | Confident | 85.9 | Confident | 80 Ų | 80 | 60.1 Ų | 60.1 | 30% | 0.302 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 122.7 | -176.8 | -76.2 | 174.1 | -159.1 | -165 | 6.5 | 110.5 | D373 L376 N1401 G1403 | D373-R378 PolarHBondContact N-O 3.15Å; D373-R378 PolarHBondContact O-N 3.15Å; L376-R378 HydrophobicContact CB-CB 4.18Å; L376-R378 HydrophobicContact CB-CG 4.32Å; L376-R378 WeakPolarHBondContact O-CG 3.34Å; L376-R378 PolarHBondContact O-N 3.22Å; R378-N1401 PolarHBondContact NH1-OD1 3.01Å; R378-G1403 PolarHBondContact NH1-O 3.43Å |
| 379 | R | 86.7 | Confident | 86 | Confident | 142 Ų | 142 | 59 Ų | 59 | 54% | 0.536 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 166.3 | 165.3 | 58.6 | 166.9 | -179.4 | -129.3 | -13 | 110.3 | L371 Y372 E381 | L371-R379 CarbonylContact O-C 3.49Å; L371-R379 WeakPolarHBondContact O-CA 3.5Å; Y372-R379 HydrophobicContact CD2-CB 4.19Å; R379-E381 PolarHBondContact O-N 3.43Å |
| 380 | I | 89.3 | Confident | 86.2 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | trans | -51.8 | 135.5 | 160.2 | -172.6 | 168 | 0 | 0 | 0 | 110.8 | M365 N366 L371 I382 A1416 I1417 L1426 | M365-I380 WeakPolarHBondContact O-CG2 3.35Å; N366-I380 PolarHBondContact OD1-O 3.17Å; L371-I380 HydrophobicContact CB-CB 4.2Å; L371-I380 HydrophobicContact CB-CG2 3.87Å; L371-I380 HydrophobicContact CD1-CD1 4.13Å; L371-I380 HydrophobicContact CD1-CG2 4.17Å; L371-I380 PolarHBondContact O-N 3.17Å; I380-I382 HydrophobicContact CD1-CD1 4.24Å; I380-I382 HydrophobicContact CD1-CG1 4.29Å; I380-I382 HydrophobicContact CG1-CD1 4.46Å; I380-I382 HydrophobicContact CG1-CG1 4.08Å; I380-A1416 CarbonylContact C-O 3.5Å; I380-A1416 VanDerWaalsContact CA-O 3.3Å; I380-A1416 WeakPolarHBondContact CA-O 3.25Å; I380-A1416 WeakPolarHBondContact CG1-O 3.32Å; I380-I1417 HydrophobicContact CD1-CG2 4.02Å; I380-I1417 HydrophobicContact CG1-CG2 4.06Å; I380-L1426 HydrophobicContact CD1-CD1 3.71Å; I380-L1426 HydrophobicContact CD1-CD2 4.09Å; I380-L1426 HydrophobicContact CD1-CG 4.5Å | ||
| 381 | E | 84.3 | Confident | 86.4 | Confident | 80 Ų | 80 | 47 Ų | 47 | 37% | 0.374 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 150.1 | 165.9 | -50.8 | -146 | 130.6 | 0 | 0 | 109.6 | R379 A1416 | R379-E381 PolarHBondContact O-N 3.43Å; E381-A1416 HydrophobicContact CB-CB 4.28Å; E381-A1416 PolarHBondContact N-O 3.34Å; E381-A1416 PolarHBondContact O-N 3.32Å |
| 382 | I | 85.9 | Confident | 86.5 | Confident | 10 Ų | 10 | 47 Ų | 47 | 5% | 0.051 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 119.6 | -174.2 | -55.2 | -175.6 | 0 | 0 | 0 | 108.6 | V362 M365 I380 F385 F1415 | V362-I382 HydrophobicContact CG1-CB 3.98Å; V362-I382 HydrophobicContact CG1-CD1 3.99Å; V362-I382 HydrophobicContact CG1-CG2 3.76Å; V362-I382 HydrophobicContact CG2-CG2 4.28Å; M365-I382 HydrophobicContact CB-CD1 3.63Å; M365-I382 HydrophobicContact CE-CD1 4.04Å; M365-I382 HydrophobicContact SD-CD1 4.34Å; I380-I382 HydrophobicContact CD1-CD1 4.24Å; I380-I382 HydrophobicContact CD1-CG1 4.29Å; I380-I382 HydrophobicContact CG1-CD1 4.46Å; I380-I382 HydrophobicContact CG1-CG1 4.08Å; I382-F385 WeakPolarHBondContact O-CE2 3.32Å; I382-F1415 HydrophobicContact CB-CD1 4.31Å; I382-F1415 HydrophobicContact CD1-CD1 3.97Å; I382-F1415 HydrophobicContact CD1-CE1 4.17Å; I382-F1415 HydrophobicContact CG1-CD1 3.84Å; I382-F1415 HydrophobicContact CG1-CE1 4.38Å; I382-F1415 HydrophobicContact CG2-CD1 3.77Å; I382-F1415 HydrophobicContact CG2-CE1 3.71Å |
| 383 | H | 77.1 | Confident | 86.7 | Confident | 62 Ų | 62 | 43.6 Ų | 43.6 | 29% | 0.287 | 20% | 0.204 | S | C | . | . | trans | -100.6 | -38.7 | -177.2 | -51.8 | -69.7 | 0 | 0 | 0 | 110.6 | V1410 S1413 D1414 | H383-V1410 PolarHBondContact NE2-O 3.16Å; H383-S1413 WeakPolarHBondContact CB-O 3.42Å; H383-S1413 PolarHBondContact CD2-O 3.18Å; H383-D1414 PolarHBondContact N-O 2.91Å | ||
| 384 | A | 80.5 | Confident | 87.2 | Confident | 6 Ų | 6 | 43.3 Ų | 43.3 | 5% | 0.05 | 20% | 0.203 | C | C | . | . | trans | -93.6 | 104.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N386 I387 D1414 | A384-N386 VanDerWaalsContact C-N 3.31Å; A384-N386 PolarHBondContact O-N 3.31Å; A384-I387 HydrophobicContact CB-CD1 4.11Å; A384-I387 HydrophobicContact CB-CG1 3.93Å; A384-D1414 HydrophobicContact CB-CB 3.66Å; A384-D1414 WeakPolarHBondContact CB-OD1 3.49Å; A384-D1414 PolarHBondContact N-O 3.35Å | ||
| 385 | F | 82.8 | Confident | 87.7 | Confident | 49 Ų | 49 | 38.7 Ų | 38.7 | 22% | 0.215 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -79.8 | -10.2 | -179.1 | -80.4 | -106.4 | 0 | 0 | 0 | 114.2 | V362 I382 | V362-F385 HydrophobicContact CB-CD1 4.18Å; V362-F385 HydrophobicContact CB-CE1 4.3Å; V362-F385 HydrophobicContact CG1-CD1 3.68Å; V362-F385 HydrophobicContact CG1-CE1 3.44Å; V362-F385 VanDerWaalsContact CG1-CE1 3.44Å; V362-F385 HydrophobicContact CG1-CG 4.33Å; V362-F385 HydrophobicContact CG1-CZ 3.9Å; V362-F385 HydrophobicContact CG2-CD1 4.5Å; I382-F385 WeakPolarHBondContact O-CE2 3.32Å |
| 386 | N | 83.1 | Confident | 88.4 | Confident | 23 Ų | 23 | 31.7 Ų | 31.7 | 12% | 0.123 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -110.1 | -2.4 | -164.1 | 68.3 | -28.2 | 0 | 0 | 0 | 115.1 | F270 K271 K358 A384 | F270-N386 VanDerWaalsContact CE2-ND2 3.31Å; F270-N386 WeakPolarHBondContact CE2-ND2 3.37Å; K271-N386 PolarHBondContact O-ND2 2.93Å; K358-N386 PolarHBondContact NZ-O 2.69Å; A384-N386 VanDerWaalsContact C-N 3.31Å; A384-N386 PolarHBondContact O-N 3.31Å |
| 387 | I | 90.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -122.7 | 25.2 | 177.7 | 63 | 173.8 | 0 | 0 | 0 | 116.1 | K271 A384 E389 D390 V1396 D1414 F1415 | K271-I387 HydrophobicContact CB-CD1 4.28Å; K271-I387 HydrophobicContact CB-CG2 4.11Å; K271-I387 HydrophobicContact CD-CD1 4.13Å; A384-I387 HydrophobicContact CB-CD1 4.11Å; A384-I387 HydrophobicContact CB-CG1 3.93Å; I387-E389 PolarHBondContact O-N 3.37Å; I387-E389 VanDerWaalsContact O-N 3.09Å; I387-D390 PolarHBondContact O-N 2.87Å; I387-V1396 HydrophobicContact CD1-CG2 4.29Å; I387-D1414 HydrophobicContact CD1-CB 4.04Å; I387-F1415 HydrophobicContact CD1-CE2 4.44Å; I387-F1415 HydrophobicContact CG1-CE2 4.26Å; I387-F1415 HydrophobicContact CG1-CZ 4.46Å | ||
| 388 | P | 93.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -19.9 | -178.3 | 30.8 | -37.5 | 0 | 0 | 0 | 113.5 | K358 V362 M365 C1434 | K358-P388 HydrophobicContact CB-CG 3.93Å; K358-P388 HydrophobicContact CD-CG 4.39Å; K358-P388 HydrophobicContact CG-CG 3.82Å; V362-P388 HydrophobicContact CG2-CB 4.12Å; V362-P388 HydrophobicContact CG2-CG 4.26Å; M365-P388 HydrophobicContact CE-CB 3.71Å; P388-C1434 WeakPolarHBondContact O-CB 3.17Å |
| 389 | E | 94.5 | Very high | 90.7 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -24.7 | 174.7 | 71.4 | -91.3 | -140.3 | 0 | 0 | 114.5 | S273 L275 K358 I387 L391 G392 L1438 | S273-E389 WeakPolarHBondContact CB-OE1 3.26Å; S273-E389 PolarHBondContact OG-OE1 2.82Å; L275-E389 HydrophobicContact CB-CG 3.96Å; L275-E389 HydrophobicContact CD2-CG 4.24Å; K358-E389 VanDerWaalsContact CE-CD 3.45Å; K358-E389 WeakPolarHBondContact CE-OE1 3.49Å; K358-E389 WeakPolarHBondContact CE-OE2 3.43Å; K358-E389 VanDerWaalsContact NZ-CD 3.34Å; K358-E389 IonicContact NZ-OE1 3.21Å; K358-E389 PolarHBondContact NZ-OE1 3.48Å; K358-E389 IonicContact NZ-OE2 3.77Å; K358-E389 PolarHBondContact NZ-OE2 3.42Å; I387-E389 PolarHBondContact O-N 3.37Å; I387-E389 VanDerWaalsContact O-N 3.09Å; E389-L391 PolarHBondContact O-N 3.46Å; E389-G392 PolarHBondContact O-N 3.29Å; E389-L1438 HydrophobicContact CB-CD2 4.06Å; E389-L1438 HydrophobicContact CG-CD2 4.12Å |
| 390 | D | 95.2 | Very high | 90.9 | Very high | 3 Ų | 3 | 14.2 Ų | 14.2 | 2% | 0.016 | 7% | 0.067 | C | C | . | . | G | 310 helix | trans | -70 | -26.3 | -179.3 | -74.4 | -15.7 | 0 | 0 | 0 | 111 | S273 K274 I387 G392 Q393 I394 V1396 | S273-D390 VanDerWaalsContact CA-OD2 3.23Å; S273-D390 WeakPolarHBondContact CA-OD2 3.24Å; S273-D390 WeakPolarHBondContact CB-OD1 3.47Å; K274-D390 PolarHBondContact N-OD1 3.22Å; I387-D390 PolarHBondContact O-N 2.87Å; D390-G392 PolarHBondContact O-N 3.24Å; D390-Q393 PolarHBondContact O-N 2.8Å; D390-I394 VanDerWaalsContact O-CD1 3.29Å; D390-I394 WeakPolarHBondContact O-CD1 3.1Å; D390-I394 WeakPolarHBondContact O-CG1 3.22Å; D390-V1396 HydrophobicContact CB-CG2 4.02Å |
| 391 | L | 96.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.067 | C | C | . | . | G | 310 helix | trans | -55.2 | -19.9 | 167 | -69.9 | 174.9 | 0 | 0 | 0 | 113.3 | M365 E389 L1379 V1396 F1415 L1426 L1427 G1431 Y1510 | M365-L391 HydrophobicContact CE-CD1 4.48Å; M365-L391 HydrophobicContact SD-CD1 4.13Å; E389-L391 PolarHBondContact O-N 3.46Å; L391-L1379 HydrophobicContact CD2-CD1 4.48Å; L391-V1396 HydrophobicContact CD2-CG1 3.89Å; L391-F1415 HydrophobicContact CD1-CD1 4.21Å; L391-F1415 HydrophobicContact CD1-CE1 3.65Å; L391-F1415 HydrophobicContact CD1-CE2 4.08Å; L391-F1415 HydrophobicContact CD1-CZ 3.59Å; L391-F1415 HydrophobicContact CD2-CD2 4.34Å; L391-F1415 HydrophobicContact CD2-CE2 4.15Å; L391-F1415 HydrophobicContact CD2-CZ 4.49Å; L391-F1415 HydrophobicContact CG-CE2 4.08Å; L391-F1415 HydrophobicContact CG-CZ 4Å; L391-L1426 HydrophobicContact CD1-CD1 3.92Å; L391-L1426 HydrophobicContact CD1-CG 4.26Å; L391-L1426 HydrophobicContact CD2-CG 4.45Å; L391-L1427 HydrophobicContact CB-CD2 4.22Å; L391-L1427 HydrophobicContact CD2-CD2 3.74Å; L391-L1427 WeakPolarHBondContact O-CD2 3.47Å; L391-G1431 VanDerWaalsContact C-CA 3.48Å; L391-G1431 WeakPolarHBondContact O-CA 3.25Å; L391-Y1510 WeakPolarHBondContact O-CE2 3.46Å; L391-Y1510 PolarHBondContact O-OH 3.39Å |
| 392 | G | 94.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.062 | C | C | . | . | G | 310 helix | trans | -91.6 | 0.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115 | E389 D390 G1431 G1513 | E389-G392 PolarHBondContact O-N 3.29Å; D390-G392 PolarHBondContact O-N 3.24Å; G392-G1431 WeakPolarHBondContact CA-O 3.45Å; G392-G1431 PolarHBondContact N-O 2.94Å; G392-G1513 CarbonylContact O-C 3.56Å; G392-G1513 VanDerWaalsContact O-CA 3.23Å; G392-G1513 WeakPolarHBondContact O-CA 3.48Å |
| 393 | Q | 94.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.005 | 6% | 0.061 | C | C | . | . | S | Bend | trans | -127.2 | 7.8 | -174.2 | -54.3 | -142.1 | -91 | 0 | 0 | 114.3 | D390 Q1377 Y1435 Y1510 G1513 | D390-Q393 PolarHBondContact O-N 2.8Å; Q393-Q1377 HydrophobicContact CB-CG 4.22Å; Q393-Q1377 WeakPolarHBondContact O-CB 3.49Å; Q393-Y1435 HydrophobicContact CG-CD1 4.47Å; Q393-Y1435 HydrophobicContact CG-CD2 3.66Å; Q393-Y1435 HydrophobicContact CG-CE2 3.96Å; Q393-Y1435 HydrophobicContact CG-CG 3.96Å; Q393-Y1510 PolarHBondContact N-OH 3.49Å; Q393-G1513 PolarHBondContact NE2-O 3.08Å |
| 394 | I | 96.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.047 | C | C | . | . | trans | -65.3 | 132.2 | -174.3 | -57.6 | -53.5 | 0 | 0 | 0 | 111.5 | D390 V397 M1127 Q1377 L1379 V1396 L1427 Y1510 I1514 | D390-I394 VanDerWaalsContact O-CD1 3.29Å; D390-I394 WeakPolarHBondContact O-CD1 3.1Å; D390-I394 WeakPolarHBondContact O-CG1 3.22Å; I394-V397 HydrophobicContact CG2-CG2 3.88Å; I394-M1127 HydrophobicContact CB-CE 4.43Å; I394-M1127 HydrophobicContact CG2-SD 4.42Å; I394-Q1377 HydrophobicContact CD1-CB 4.25Å; I394-L1379 HydrophobicContact CD1-CB 4.06Å; I394-L1379 HydrophobicContact CD1-CD1 4.45Å; I394-L1379 HydrophobicContact CG1-CB 4.21Å; I394-L1379 HydrophobicContact CG1-CD1 4.05Å; I394-L1379 HydrophobicContact CG2-CB 3.58Å; I394-L1379 HydrophobicContact CG2-CD1 4.36Å; I394-V1396 HydrophobicContact CD1-CB 4.36Å; I394-V1396 HydrophobicContact CD1-CG2 3.97Å; I394-L1427 HydrophobicContact CG1-CD2 4.06Å; I394-Y1510 PolarHBondContact N-OH 3.35Å; I394-I1514 WeakPolarHBondContact O-CD1 3.13Å; I394-I1514 WeakPolarHBondContact O-CG1 3.48Å | ||
| 395 | E | 94.5 | Very high | 91.2 | Very high | 36 Ų | 36 | 8.8 Ų | 8.8 | 17% | 0.168 | 5% | 0.045 | C | C | . | . | trans | -118.6 | -35.3 | -177.2 | -170.7 | 178.9 | 174.7 | 0 | 0 | 111.6 | M1127 H1128 A1376 Q1377 I1514 | E395-M1127 WeakPolarHBondContact O-CA 3.36Å; E395-H1128 PolarHBondContact O-N 3.49Å; E395-A1376 HydrophobicContact CB-CB 4.37Å; E395-A1376 WeakPolarHBondContact OE2-CB 3.32Å; E395-Q1377 PolarHBondContact N-O 2.99Å; E395-I1514 HydrophobicContact CB-CG2 4.13Å; E395-I1514 HydrophobicContact CG-CG2 4Å | ||
| 396 | Y | 95.5 | Very high | 91.4 | Very high | 17 Ų | 17 | 6.5 Ų | 6.5 | 7% | 0.067 | 4% | 0.035 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 133.3 | 175.8 | -69.4 | -98.7 | 0 | 0 | 0 | 110.6 | H1128 W1130 V1370 L1374 A1376 Q1377 L1379 | Y396-H1128 WeakPolarHBondContact CA-O 3.19Å; Y396-H1128 HydrophobicContact CD1-CB 3.57Å; Y396-H1128 HydrophobicContact CE1-CB 3.66Å; Y396-H1128 AromaticContact CE1-CG 3.86Å; Y396-H1128 HydrophobicContact CG-CB 4.25Å; Y396-H1128 AromaticContact CZ-CD2 3.96Å; Y396-W1130 AromaticContact CD1-CE2 3.9Å; Y396-W1130 AromaticContact CD1-CZ2 3.84Å; Y396-W1130 HydrophobicContact CD1-CZ2 3.84Å; Y396-W1130 AromaticContact CD1-NE1 3.89Å; Y396-W1130 AromaticContact CE1-CZ2 3.68Å; Y396-W1130 HydrophobicContact CE1-CZ2 3.68Å; Y396-V1370 HydrophobicContact CD1-CG1 3.94Å; Y396-V1370 HydrophobicContact CD2-CG1 3.97Å; Y396-V1370 HydrophobicContact CE1-CG1 4.3Å; Y396-V1370 HydrophobicContact CE2-CG1 4.33Å; Y396-V1370 HydrophobicContact CG-CG1 3.78Å; Y396-L1374 HydrophobicContact CE2-CD1 4.49Å; Y396-A1376 HydrophobicContact CD2-CB 3.53Å; Y396-A1376 HydrophobicContact CE2-CB 3.64Å; Y396-Q1377 PolarHBondContact N-O 2.84Å; Y396-Q1377 VanDerWaalsContact N-O 3.08Å; Y396-L1379 PolarHBondContact O-N 3.02Å |
| 397 | V | 96.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.039 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 114.8 | 176.4 | 174.7 | 0 | 0 | 0 | 0 | 108.5 | I394 M1127 H1128 V1129 W1130 L1379 | I394-V397 HydrophobicContact CG2-CG2 3.88Å; V397-M1127 HydrophobicContact CG2-CB 4.45Å; V397-M1127 HydrophobicContact CG2-SD 3.89Å; V397-H1128 PolarHBondContact N-O 3.27Å; V397-V1129 HydrophobicContact CB-CG1 4.5Å; V397-V1129 HydrophobicContact CB-CG2 4.35Å; V397-V1129 HydrophobicContact CG1-CG1 4.32Å; V397-V1129 CarbonylContact O-C 3.59Å; V397-V1129 WeakPolarHBondContact O-CA 3.47Å; V397-W1130 PolarHBondContact O-N 3.26Å; V397-L1379 CarbonylContact C-O 3.51Å; V397-L1379 WeakPolarHBondContact CA-O 3.39Å; V397-L1379 HydrophobicContact CG1-CD2 4.06Å; V397-L1379 HydrophobicContact CG2-CB 4.39Å; V397-L1379 HydrophobicContact CG2-CD2 4.48Å |
| 398 | F | 96.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 127.5 | 173.2 | -56.9 | -86.3 | 0 | 0 | 0 | 109.1 | W1130 L1132 V1366 V1367 V1370 T1378 L1379 A1380 I1381 M1390 | F398-W1130 WeakPolarHBondContact CA-O 3.35Å; F398-W1130 HydrophobicContact CD1-CB 4.13Å; F398-W1130 HydrophobicContact CD1-CD2 4.47Å; F398-W1130 HydrophobicContact CD1-CE3 4.12Å; F398-W1130 HydrophobicContact CE1-CB 4.49Å; F398-W1130 AromaticContact CE1-CD2 3.97Å; F398-W1130 HydrophobicContact CE1-CD2 3.97Å; F398-W1130 AromaticContact CE1-CE3 3.49Å; F398-W1130 HydrophobicContact CE1-CE3 3.49Å; F398-W1130 VanDerWaalsContact CE1-CE3 3.49Å; F398-W1130 HydrophobicContact CE1-CG 4.48Å; F398-W1130 AromaticContact CE1-CZ3 3.85Å; F398-W1130 HydrophobicContact CE1-CZ3 3.85Å; F398-W1130 HydrophobicContact CZ-CE3 4.46Å; F398-L1132 HydrophobicContact CB-CD1 4.12Å; F398-L1132 HydrophobicContact CD1-CD1 3.54Å; F398-L1132 HydrophobicContact CD1-CG 4.06Å; F398-L1132 HydrophobicContact CE1-CD1 4.33Å; F398-L1132 HydrophobicContact CG-CD1 4.15Å; F398-V1366 HydrophobicContact CE1-CG1 4.14Å; F398-V1367 HydrophobicContact CB-CG2 4.15Å; F398-V1367 HydrophobicContact CD1-CG2 4.04Å; F398-V1367 HydrophobicContact CD2-CB 4.45Å; F398-V1367 HydrophobicContact CD2-CG1 4.26Å; F398-V1367 HydrophobicContact CD2-CG2 3.68Å; F398-V1367 HydrophobicContact CE1-CG2 4.35Å; F398-V1367 HydrophobicContact CE2-CB 4.41Å; F398-V1367 HydrophobicContact CE2-CG1 4.19Å; F398-V1367 HydrophobicContact CE2-CG2 4.04Å; F398-V1367 HydrophobicContact CG-CG2 3.68Å; F398-V1367 HydrophobicContact CZ-CG2 4.35Å; F398-V1370 HydrophobicContact CE1-CG2 4.3Å; F398-V1370 HydrophobicContact CE2-CG1 4.48Å; F398-V1370 HydrophobicContact CZ-CB 3.77Å; F398-V1370 HydrophobicContact CZ-CG1 3.86Å; F398-V1370 HydrophobicContact CZ-CG2 3.87Å; F398-T1378 HydrophobicContact CE2-CG2 3.75Å; F398-T1378 HydrophobicContact CZ-CG2 4.48Å; F398-L1379 WeakPolarHBondContact CD2-O 3.36Å; F398-L1379 PolarHBondContact N-O 3.36Å; F398-A1380 HydrophobicContact CB-CB 4.47Å; F398-A1380 CarbonylContact O-C 3.47Å; F398-A1380 WeakPolarHBondContact O-CA 3.07Å; F398-I1381 WeakPolarHBondContact O-CG2 3.39Å; F398-I1381 PolarHBondContact O-N 2.93Å; F398-M1390 HydrophobicContact CB-SD 4.04Å |
| 399 | T | 95.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 142.8 | -178.6 | -177.6 | 0 | 0 | 0 | 0 | 110.4 | T404 L405 V1129 W1130 M1131 L1132 I1381 | T399-T404 WeakPolarHBondContact OG1-CG2 3.21Å; T399-L405 HydrophobicContact CG2-CD1 3.85Å; T399-L405 HydrophobicContact CG2-CG 4.38Å; T399-V1129 HydrophobicContact CG2-CG1 4.17Å; T399-W1130 WeakPolarHBondContact CG2-O 3.44Å; T399-W1130 PolarHBondContact N-O 2.67Å; T399-M1131 CarbonylContact O-C 3.56Å; T399-M1131 WeakPolarHBondContact O-CA 3.34Å; T399-L1132 PolarHBondContact O-N 3.22Å; T399-I1381 WeakPolarHBondContact CA-O 3.47Å |
| 400 | D | 90.8 | Very high | 89.4 | Confident | 9 Ų | 9 | 14.6 Ų | 14.6 | 5% | 0.048 | 7% | 0.072 | C | C | . | . | trans | -74.1 | 176.4 | 158.7 | -162 | 65.2 | 0 | 0 | 0 | 110.9 | T402 L405 L1132 T1133 K1363 I1381 D1387 | D400-T402 PolarHBondContact OD2-N 3.22Å; D400-L405 WeakPolarHBondContact O-CD1 3.4Å; D400-L405 WeakPolarHBondContact O-CG 3.27Å; D400-L1132 VanDerWaalsContact OD1-O 3.04Å; D400-T1133 VanDerWaalsContact OD1-CA 3.29Å; D400-T1133 WeakPolarHBondContact OD1-CA 3.26Å; D400-K1363 IonicContact OD1-NZ 2.81Å; D400-K1363 PolarHBondContact OD1-NZ 3.21Å; D400-I1381 PolarHBondContact N-O 2.66Å; D400-D1387 WeakPolarHBondContact CB-OD2 3.48Å | ||
| 401 | K | 88 | Confident | 88.9 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -101.8 | -51.8 | 177.9 | -173.4 | -118 | 71.3 | 178 | 0 | 111.8 | L405 T406 D1109 M1131 T1133 D1135 I1143 | K401-L405 PolarHBondContact O-N 3.05Å; K401-L405 VanDerWaalsContact O-N 3.13Å; K401-T406 PolarHBondContact O-N 2.97Å; K401-D1109 IonicContact NZ-OD2 2.85Å; K401-D1109 PolarHBondContact NZ-OD2 2.97Å; K401-M1131 HydrophobicContact CB-CE 4.2Å; K401-M1131 HydrophobicContact CB-CG 4.26Å; K401-M1131 HydrophobicContact CB-SD 3.97Å; K401-M1131 HydrophobicContact CG-CE 3.98Å; K401-M1131 HydrophobicContact CG-SD 4.06Å; K401-T1133 HydrophobicContact CB-CG2 4.29Å; K401-D1135 HydrophobicContact CD-CB 4.48Å; K401-D1135 VanDerWaalsContact CD-OD2 3.3Å; K401-D1135 WeakPolarHBondContact CD-OD2 3.44Å; K401-D1135 WeakPolarHBondContact CE-OD2 3.32Å; K401-D1135 IonicContact NZ-OD2 4Å; K401-D1135 PolarHBondContact NZ-OD2 2.78Å; K401-I1143 HydrophobicContact CD-CB 4.31Å; K401-I1143 HydrophobicContact CD-CG1 4.05Å; K401-I1143 HydrophobicContact CD-CG2 4.4Å; K401-I1143 HydrophobicContact CG-CB 4.01Å; K401-I1143 HydrophobicContact CG-CG1 4.27Å; K401-I1143 HydrophobicContact CG-CG2 3.71Å |
| 402 | T | 80.5 | Confident | 88.6 | Confident | 42 Ų | 42 | 17.7 Ų | 17.7 | 26% | 0.258 | 9% | 0.086 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 130.3 | -170.6 | -60.1 | 0 | 0 | 0 | 0 | 108.9 | D400 T404 | D400-T402 PolarHBondContact OD2-N 3.22Å; T402-T404 PolarHBondContact O-N 2.87Å |
| 403 | G | 78.4 | Confident | 88.4 | Confident | 4 Ų | 4 | 19.3 Ų | 19.3 | 4% | 0.041 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | -22.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | T406 Q1112 D1383 | G403-T406 CarbonylContact C-O 3.6Å; G403-T406 VanDerWaalsContact CA-O 3.22Å; G403-T406 WeakPolarHBondContact CA-O 3.22Å; G403-T406 PolarHBondContact N-O 2.72Å; G403-T406 PolarHBondContact N-OG1 3.05Å; G403-Q1112 PolarHBondContact O-NE2 2.95Å; G403-D1383 VanDerWaalsContact C-OD2 3.28Å; G403-D1383 WeakPolarHBondContact CA-OD2 3.42Å |
| 404 | T | 87.7 | Confident | 88.2 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -48.7 | 175.5 | -73.7 | 0 | 0 | 0 | 0 | 113 | T399 T402 Q1112 I1381 G1382 D1383 I1400 F1420 | T399-T404 WeakPolarHBondContact OG1-CG2 3.21Å; T402-T404 PolarHBondContact O-N 2.87Å; T404-Q1112 PolarHBondContact O-NE2 3.15Å; T404-I1381 HydrophobicContact CG2-CG1 4.5Å; T404-I1381 HydrophobicContact CG2-CG2 4.32Å; T404-G1382 VanDerWaalsContact OG1-CA 3.27Å; T404-G1382 WeakPolarHBondContact OG1-CA 3.43Å; T404-D1383 PolarHBondContact N-OD1 3.48Å; T404-D1383 PolarHBondContact OG1-N 3.49Å; T404-D1383 VanDerWaalsContact OG1-N 3.16Å; T404-D1383 PolarHBondContact OG1-OD1 3.42Å; T404-I1400 HydrophobicContact CG2-CD1 4.02Å; T404-F1420 HydrophobicContact CG2-CD2 4.38Å |
| 405 | L | 90.5 | Very high | 88 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -35.9 | 173.7 | -71 | 172.4 | 0 | 0 | 0 | 111.8 | T399 D400 K401 L1111 Q1112 V1115 I1119 M1131 F1420 | T399-L405 HydrophobicContact CG2-CD1 3.85Å; T399-L405 HydrophobicContact CG2-CG 4.38Å; D400-L405 WeakPolarHBondContact O-CD1 3.4Å; D400-L405 WeakPolarHBondContact O-CG 3.27Å; K401-L405 PolarHBondContact O-N 3.05Å; K401-L405 VanDerWaalsContact O-N 3.13Å; L405-L1111 HydrophobicContact CB-CD2 4.5Å; L405-L1111 WeakPolarHBondContact O-CD2 3.4Å; L405-Q1112 PolarHBondContact O-N 2.85Å; L405-V1115 HydrophobicContact CD2-CG1 3.67Å; L405-V1115 HydrophobicContact CD2-CG2 4.47Å; L405-I1119 HydrophobicContact CD2-CD1 3.95Å; L405-M1131 HydrophobicContact CD1-CE 3.66Å; L405-F1420 HydrophobicContact CD2-CD1 4.34Å; L405-F1420 HydrophobicContact CD2-CD2 3.85Å; L405-F1420 HydrophobicContact CD2-CE1 4.06Å; L405-F1420 HydrophobicContact CD2-CE2 3.55Å; L405-F1420 HydrophobicContact CD2-CG 4.25Å; L405-F1420 HydrophobicContact CD2-CZ 3.67Å |
| 406 | T | 86.9 | Confident | 87.9 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 158.1 | 169.3 | 76.2 | 0 | 0 | 0 | 0 | 110.9 | K401 G403 D1109 R1110 L1111 Q1112 I1143 | K401-T406 PolarHBondContact O-N 2.97Å; G403-T406 CarbonylContact C-O 3.6Å; G403-T406 VanDerWaalsContact CA-O 3.22Å; G403-T406 WeakPolarHBondContact CA-O 3.22Å; G403-T406 PolarHBondContact N-O 2.72Å; G403-T406 PolarHBondContact N-OG1 3.05Å; T406-D1109 WeakPolarHBondContact CB-OD1 3.37Å; T406-D1109 WeakPolarHBondContact CG2-OD1 3.36Å; T406-D1109 PolarHBondContact OG1-OD1 2.9Å; T406-R1110 CarbonylContact C-O 3.57Å; T406-R1110 WeakPolarHBondContact CA-O 3.45Å; T406-R1110 VanDerWaalsContact CB-O 3.23Å; T406-R1110 WeakPolarHBondContact CB-O 3.47Å; T406-L1111 HydrophobicContact CG2-CD2 4.38Å; T406-Q1112 WeakPolarHBondContact O-CG 3.37Å; T406-Q1112 PolarHBondContact O-NE2 2.84Å; T406-I1143 HydrophobicContact CG2-CD1 4.03Å; T406-I1143 HydrophobicContact CG2-CG1 4.38Å; T406-I1143 HydrophobicContact CG2-CG2 4.18Å |
| 407 | E | 81.1 | Confident | 87.7 | Confident | 46 Ų | 46 | 19.6 Ų | 19.6 | 22% | 0.215 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 12.9 | 171.2 | 52.1 | 171.6 | -150.7 | 0 | 0 | 112.6 | K409 R1110 Q1112 | E407-K409 HydrophobicContact CG-CB 3.83Å; E407-K409 PolarHBondContact O-N 2.7Å; E407-K409 WeakPolarHBondContact OE1-CD 3.49Å; E407-R1110 VanDerWaalsContact CD-NH1 3.33Å; E407-R1110 HydrophobicContact CG-CB 4.09Å; E407-R1110 HydrophobicContact CG-CG 4.38Å; E407-R1110 WeakPolarHBondContact CG-O 3.22Å; E407-R1110 PolarHBondContact N-O 2.81Å; E407-R1110 WeakPolarHBondContact OE1-CD 3.29Å; E407-R1110 IonicContact OE1-CZ 3.37Å; E407-R1110 IonicContact OE1-NE 3.92Å; E407-R1110 IonicContact OE1-NH1 2.68Å; E407-R1110 PolarHBondContact OE1-NH1 2.92Å; E407-R1110 IonicContact OE2-NH1 2.61Å; E407-R1110 PolarHBondContact OE2-NH1 2.84Å; E407-Q1112 HydrophobicContact CB-CG 4.13Å |
| 408 | N | 74.4 | Confident | 87.2 | Confident | 32 Ų | 32 | 21.3 Ų | 21.3 | 17% | 0.171 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 51.3 | 19.4 | -173.8 | -156.5 | 19.6 | 0 | 0 | 0 | 114 | M410 | N408-M410 WeakPolarHBondContact OD1-CE 3.01Å |
| 409 | K | 78.9 | Confident | 86.4 | Confident | 100 Ų | 100 | 22 Ų | 22 | 44% | 0.435 | 11% | 0.11 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 113.4 | 179.9 | -167.8 | -164.2 | -177.3 | -163.1 | 0 | 109 | E407 E411 R1110 | E407-K409 HydrophobicContact CG-CB 3.83Å; E407-K409 PolarHBondContact O-N 2.7Å; E407-K409 WeakPolarHBondContact OE1-CD 3.49Å; K409-E411 HydrophobicContact CD-CG 4.43Å; K409-E411 VanDerWaalsContact CE-OE1 3.23Å; K409-E411 WeakPolarHBondContact CE-OE1 3.38Å; K409-E411 IonicContact NZ-OE1 2.78Å; K409-E411 PolarHBondContact NZ-OE1 2.75Å; K409-R1110 WeakPolarHBondContact O-CB 3.36Å; K409-R1110 PolarHBondContact O-N 2.8Å |
| 410 | M | 84.2 | Confident | 86.1 | Confident | 16 Ų | 16 | 25.7 Ų | 25.7 | 8% | 0.079 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 125.3 | 178.7 | -56.5 | -54.3 | 153.8 | 0 | 0 | 110.1 | N408 P948 C952 R1053 I1107 E1108 D1109 | N408-M410 WeakPolarHBondContact OD1-CE 3.01Å; M410-P948 HydrophobicContact CE-CG 4.01Å; M410-P948 HydrophobicContact CG-CB 3.84Å; M410-P948 HydrophobicContact CG-CG 4.05Å; M410-C952 VanDerWaalsContact C-SG 3.54Å; M410-C952 HydrophobicContact CB-CB 3.91Å; M410-C952 PolarHBondContact O-SG 3.24Å; M410-R1053 VanDerWaalsContact CE-NH2 3.28Å; M410-I1107 HydrophobicContact CB-CG2 3.8Å; M410-E1108 WeakPolarHBondContact CA-O 3.2Å; M410-D1109 HydrophobicContact CE-CB 4.33Å; M410-D1109 HydrophobicContact SD-CB 3.9Å |
| 411 | E | 86.2 | Confident | 86 | Confident | 50 Ų | 50 | 28 Ų | 28 | 23% | 0.234 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 130 | 178.3 | -66.3 | -166.3 | 164 | 0 | 0 | 112 | K409 K413 C952 I1107 E1108 R1110 | K409-E411 HydrophobicContact CD-CG 4.43Å; K409-E411 VanDerWaalsContact CE-OE1 3.23Å; K409-E411 WeakPolarHBondContact CE-OE1 3.38Å; K409-E411 IonicContact NZ-OE1 2.78Å; K409-E411 PolarHBondContact NZ-OE1 2.75Å; E411-K413 PolarHBondContact O-N 2.61Å; E411-C952 VanDerWaalsContact C-SG 3.56Å; E411-I1107 CarbonylContact O-C 3.53Å; E411-I1107 WeakPolarHBondContact O-CA 3.09Å; E411-E1108 PolarHBondContact N-O 3.06Å; E411-E1108 PolarHBondContact O-N 2.7Å; E411-R1110 IonicContact OE2-NE 3.22Å |
| 412 | F | 90.1 | Very high | 86 | Confident | 18 Ų | 18 | 32.6 Ų | 32.6 | 8% | 0.079 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 115 | 179.5 | -165.5 | -79.2 | 0 | 0 | 0 | 109.3 | R414 A415 C952 L953 E956 T1105 | F412-R414 WeakPolarHBondContact CE1-O 3.24Å; F412-R414 WeakPolarHBondContact CZ-O 3.35Å; F412-A415 HydrophobicContact CE1-CB 3.98Å; F412-A415 HydrophobicContact CZ-CB 3.88Å; F412-C952 PolarHBondContact N-SG 3.04Å; F412-L953 HydrophobicContact CD2-CD2 3.92Å; F412-L953 HydrophobicContact CE2-CD2 3.86Å; F412-E956 HydrophobicContact CB-CB 4.17Å; F412-E956 HydrophobicContact CB-CG 4.34Å; F412-E956 HydrophobicContact CD1-CB 4.48Å; F412-E956 HydrophobicContact CD1-CG 3.83Å; F412-E956 HydrophobicContact CD2-CB 4.11Å; F412-E956 HydrophobicContact CD2-CG 4.22Å; F412-E956 HydrophobicContact CE1-CG 4.15Å; F412-E956 HydrophobicContact CG-CB 4.01Å; F412-E956 HydrophobicContact CG-CG 3.87Å; F412-E956 HydrophobicContact CZ-CG 4.47Å; F412-T1105 HydrophobicContact CE2-CG2 3.81Å; F412-T1105 HydrophobicContact CZ-CG2 4.3Å |
| 413 | K | 88.5 | Confident | 86 | Confident | 34 Ų | 34 | 32.9 Ų | 32.9 | 15% | 0.148 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | -38.2 | -173.7 | -75.3 | -63.8 | -170.3 | 170.4 | 0 | 114 | E411 A424 D425 L1052 G1106 E1108 | E411-K413 PolarHBondContact O-N 2.61Å; K413-A424 VanDerWaalsContact O-CB 3.26Å; K413-A424 WeakPolarHBondContact O-CB 3.42Å; K413-A424 PolarHBondContact O-N 3.28Å; K413-D425 WeakPolarHBondContact CD-OD2 3.39Å; K413-D425 IonicContact NZ-OD1 2.71Å; K413-D425 PolarHBondContact NZ-OD1 3.37Å; K413-D425 IonicContact NZ-OD2 2.93Å; K413-D425 PolarHBondContact NZ-OD2 2.82Å; K413-L1052 HydrophobicContact CB-CD1 4.28Å; K413-L1052 HydrophobicContact CB-CD2 3.96Å; K413-L1052 HydrophobicContact CG-CD2 4.24Å; K413-G1106 PolarHBondContact N-O 2.84Å; K413-E1108 WeakPolarHBondContact CE-OE2 3.32Å; K413-E1108 HydrophobicContact CG-CB 3.89Å |
| 414 | R | 90.8 | Very high | 85.3 | Confident | 50 Ų | 50 | 35 Ų | 35 | 19% | 0.189 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 157.7 | 179.4 | -65.1 | -159.1 | 173.1 | -179.2 | 11.6 | 113.7 | F412 D421 Y422 N423 H1046 Y1047 L1052 G1106 | F412-R414 WeakPolarHBondContact CE1-O 3.24Å; F412-R414 WeakPolarHBondContact CZ-O 3.35Å; R414-D421 WeakPolarHBondContact CD-OD1 3.48Å; R414-D421 IonicContact CZ-OD2 2.8Å; R414-D421 IonicContact NH1-OD2 3.93Å; R414-D421 PolarHBondContact NH1-OD2 2.66Å; R414-Y422 VanDerWaalsContact CA-O 3.29Å; R414-Y422 WeakPolarHBondContact CA-O 3.49Å; R414-N423 PolarHBondContact NE-OD1 3.14Å; R414-H1046 PolarHBondContact NH1-NE2 2.93Å; R414-Y1047 HydrophobicContact CB-CD1 4.25Å; R414-Y1047 HydrophobicContact CB-CE1 3.69Å; R414-Y1047 HydrophobicContact CB-CE2 4.19Å; R414-Y1047 HydrophobicContact CG-CE1 4.16Å; R414-L1052 HydrophobicContact CB-CD1 4.32Å; R414-L1052 HydrophobicContact CG-CD1 4.21Å; R414-G1106 PolarHBondContact N-O 3.12Å; R414-G1106 PolarHBondContact O-N 2.89Å |
| 415 | A | 92.4 | Very high | 83.8 | Confident | 5 Ų | 5 | 37.5 Ų | 37.5 | 4% | 0.041 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 130.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | F412 I417 Y422 Y548 Y1047 A1104 | F412-A415 HydrophobicContact CE1-CB 3.98Å; F412-A415 HydrophobicContact CZ-CB 3.88Å; A415-I417 HydrophobicContact CB-CD1 4.17Å; A415-I417 HydrophobicContact CB-CG1 3.95Å; A415-Y422 PolarHBondContact N-O 2.97Å; A415-Y422 WeakPolarHBondContact O-CD2 3.47Å; A415-Y422 PolarHBondContact O-N 2.92Å; A415-Y548 HydrophobicContact CB-CE1 4.35Å; A415-Y1047 PolarHBondContact O-OH 2.62Å; A415-A1104 CarbonylContact C-O 3.58Å; A415-A1104 WeakPolarHBondContact CA-O 3.44Å |
| 416 | S | 92.7 | Very high | 81.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 119.9 | 157.4 | 176.8 | 0 | 0 | 0 | 0 | 107.3 | I420 Q1043 Y1047 G1103 A1104 | S416-I420 VanDerWaalsContact CA-O 3.28Å; S416-I420 WeakPolarHBondContact CA-O 3.49Å; S416-Q1043 VanDerWaalsContact CB-OE1 3.24Å; S416-Q1043 PolarHBondContact OG-OE1 3.49Å; S416-Y1047 PolarHBondContact N-OH 2.77Å; S416-Y1047 VanDerWaalsContact N-OH 3.07Å; S416-G1103 CarbonylContact O-C 3.58Å; S416-G1103 WeakPolarHBondContact O-CA 3.48Å; S416-A1104 PolarHBondContact N-O 3.02Å; S416-A1104 PolarHBondContact O-N 3.23Å |
| 417 | I | 91.6 | Very high | 79 | Confident | 6 Ų | 6 | 46.4 Ų | 46.4 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 128.5 | 174.3 | -45 | 174.1 | 0 | 0 | 0 | 107.6 | A415 G419 I420 Y422 I545 Y548 F549 | A415-I417 HydrophobicContact CB-CD1 4.17Å; A415-I417 HydrophobicContact CB-CG1 3.95Å; I417-G419 PolarHBondContact O-N 2.83Å; I417-I420 PolarHBondContact N-O 3.2Å; I417-I420 PolarHBondContact O-N 3.29Å; I417-Y422 HydrophobicContact CB-CD2 4.21Å; I417-Y422 HydrophobicContact CB-CE2 3.82Å; I417-Y422 HydrophobicContact CD1-CD2 4.22Å; I417-Y422 HydrophobicContact CD1-CE2 4.31Å; I417-Y422 HydrophobicContact CG1-CD2 4.07Å; I417-Y422 HydrophobicContact CG1-CE2 4.15Å; I417-I545 HydrophobicContact CG2-CG1 4.02Å; I417-Y548 HydrophobicContact CD1-CD1 3.51Å; I417-Y548 HydrophobicContact CD1-CE1 3.52Å; I417-Y548 HydrophobicContact CD1-CG 4.25Å; I417-Y548 HydrophobicContact CG1-CD1 3.86Å; I417-Y548 HydrophobicContact CG1-CD2 4.44Å; I417-Y548 HydrophobicContact CG1-CE1 3.7Å; I417-Y548 HydrophobicContact CG1-CE2 4.31Å; I417-Y548 HydrophobicContact CG1-CG 4.22Å; I417-Y548 HydrophobicContact CG2-CD1 4.44Å; I417-Y548 HydrophobicContact CG2-CD2 4.48Å; I417-Y548 HydrophobicContact CG2-CG 4.14Å; I417-F549 HydrophobicContact CD1-CE2 4.25Å; I417-F549 HydrophobicContact CD1-CZ 4.17Å |
| 418 | N | 85.3 | Confident | 76.5 | Confident | 35 Ų | 35 | 51.2 Ų | 51.2 | 19% | 0.187 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 23.7 | -172.8 | -148.9 | 46.5 | 0 | 0 | 0 | 114.5 | E541 R544 L1036 L1102 | N418-E541 PolarHBondContact ND2-OE1 3.23Å; N418-R544 WeakPolarHBondContact OD1-CD 3.38Å; N418-R544 PolarHBondContact OD1-NH1 2.76Å; N418-L1036 HydrophobicContact CB-CD1 4.48Å; N418-L1036 WeakPolarHBondContact O-CD1 3.36Å; N418-L1036 VanDerWaalsContact OD1-CD1 3.24Å; N418-L1036 WeakPolarHBondContact OD1-CD1 3.34Å; N418-L1102 PolarHBondContact N-O 3.24Å |
| 419 | G | 81.4 | Confident | 74.2 | Confident | 15 Ų | 15 | 57.6 Ų | 57.6 | 16% | 0.155 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | 7.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | I417 Q1043 | I417-G419 PolarHBondContact O-N 2.83Å; G419-Q1043 PolarHBondContact O-NE2 3.27Å; G419-Q1043 PolarHBondContact O-OE1 2.86Å |
| 420 | I | 87.6 | Confident | 71.8 | Confident | 78 Ų | 78 | 60.3 Ų | 60.3 | 40% | 0.4 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 129.3 | 176.3 | -57.8 | 173 | 0 | 0 | 0 | 109.2 | S416 I417 Y422 | S416-I420 VanDerWaalsContact CA-O 3.28Å; S416-I420 WeakPolarHBondContact CA-O 3.49Å; I417-I420 PolarHBondContact N-O 3.2Å; I417-I420 PolarHBondContact O-N 3.29Å; I420-Y422 HydrophobicContact CB-CD2 4.46Å; I420-Y422 HydrophobicContact CB-CE2 3.73Å; I420-Y422 HydrophobicContact CG2-CD2 4.3Å; I420-Y422 HydrophobicContact CG2-CE1 4.43Å; I420-Y422 HydrophobicContact CG2-CE2 3.75Å; I420-Y422 WeakPolarHBondContact O-CD2 3.33Å; I420-Y422 WeakPolarHBondContact O-CE2 3.47Å |
| 421 | D | 88.7 | Confident | 69.3 | Low | 56 Ų | 56 | 67.3 Ų | 67.3 | 30% | 0.299 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 120.7 | 175.3 | -172.4 | 12.5 | 0 | 0 | 0 | 111 | R414 Q1043 Y1047 | R414-D421 WeakPolarHBondContact CD-OD1 3.48Å; R414-D421 IonicContact CZ-OD2 2.8Å; R414-D421 IonicContact NH1-OD2 3.93Å; R414-D421 PolarHBondContact NH1-OD2 2.66Å; D421-Q1043 HydrophobicContact CB-CG 4.44Å; D421-Y1047 WeakPolarHBondContact OD1-CE1 3.23Å; D421-Y1047 PolarHBondContact OD1-OH 3.33Å |
| 422 | Y | 87.3 | Confident | 66.6 | Low | 97 Ų | 97 | 70.7 Ų | 70.7 | 38% | 0.38 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 117.7 | 175.6 | -63.3 | -92.8 | 0 | 0 | 0 | 109.8 | R414 A415 I417 I420 | R414-Y422 VanDerWaalsContact CA-O 3.29Å; R414-Y422 WeakPolarHBondContact CA-O 3.49Å; A415-Y422 PolarHBondContact N-O 2.97Å; A415-Y422 WeakPolarHBondContact O-CD2 3.47Å; A415-Y422 PolarHBondContact O-N 2.92Å; I417-Y422 HydrophobicContact CB-CD2 4.21Å; I417-Y422 HydrophobicContact CB-CE2 3.82Å; I417-Y422 HydrophobicContact CD1-CD2 4.22Å; I417-Y422 HydrophobicContact CD1-CE2 4.31Å; I417-Y422 HydrophobicContact CG1-CD2 4.07Å; I417-Y422 HydrophobicContact CG1-CE2 4.15Å; I420-Y422 HydrophobicContact CB-CD2 4.46Å; I420-Y422 HydrophobicContact CB-CE2 3.73Å; I420-Y422 HydrophobicContact CG2-CD2 4.3Å; I420-Y422 HydrophobicContact CG2-CE1 4.43Å; I420-Y422 HydrophobicContact CG2-CE2 3.75Å; I420-Y422 WeakPolarHBondContact O-CD2 3.33Å; I420-Y422 WeakPolarHBondContact O-CE2 3.47Å |
| 423 | N | 81.1 | Confident | 63.7 | Low | 48 Ų | 48 | 76.9 Ų | 76.9 | 26% | 0.257 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 137 | 176.7 | -167.5 | 52 | 0 | 0 | 0 | 111.2 | R414 D426 | R414-N423 PolarHBondContact NE-OD1 3.14Å; N423-D426 WeakPolarHBondContact CB-OD1 3.4Å; N423-D426 PolarHBondContact ND2-OD1 3.33Å |
| 424 | A | 63.1 | Low | 60.9 | Low | 48 Ų | 48 | 81.6 Ų | 81.6 | 40% | 0.397 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -81.1 | -22.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | K413 | K413-A424 VanDerWaalsContact O-CB 3.26Å; K413-A424 WeakPolarHBondContact O-CB 3.42Å; K413-A424 PolarHBondContact O-N 3.28Å |
| 425 | D | 56.6 | Low | 58 | Low | 53 Ų | 53 | 87 Ų | 87 | 28% | 0.283 | 46% | 0.458 | S | S | . | . | trans | -93.9 | 7 | -168.2 | -69.8 | -19.9 | 0 | 0 | 0 | 114.8 | K413 G427 D428 | K413-D425 WeakPolarHBondContact CD-OD2 3.39Å; K413-D425 IonicContact NZ-OD1 2.71Å; K413-D425 PolarHBondContact NZ-OD1 3.37Å; K413-D425 IonicContact NZ-OD2 2.93Å; K413-D425 PolarHBondContact NZ-OD2 2.82Å; D425-G427 PolarHBondContact O-N 3.41Å; D425-D428 PolarHBondContact O-N 3.05Å; D425-D428 VanDerWaalsContact O-N 3.17Å | ||
| 426 | D | 43.1 | Very low | 55.1 | Low | 116 Ų | 116 | 94.7 Ų | 94.7 | 62% | 0.62 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | 8.5 | -177.3 | -77.1 | 12.9 | 0 | 0 | 0 | 114.7 | N423 | N423-D426 WeakPolarHBondContact CB-OD1 3.4Å; N423-D426 PolarHBondContact ND2-OD1 3.33Å |
| 427 | G | 33.6 | Very low | 51.8 | Low | 71 Ų | 71 | 100.1 Ų | 100.1 | 73% | 0.732 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -32 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | D425 | D425-G427 PolarHBondContact O-N 3.41Š|
| 428 | D | 28.7 | Very low | 48.6 | Very low | 147 Ų | 147 | 102.8 Ų | 102.8 | 79% | 0.786 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.8 | -11.6 | -161.5 | -98.7 | -45 | 0 | 0 | 0 | 117.6 | D425 | D425-D428 PolarHBondContact O-N 3.05Å; D425-D428 VanDerWaalsContact O-N 3.17Å |
| 429 | Y | 27.6 | Very low | 45.7 | Very low | 166 Ų | 166 | 110.9 Ų | 110.9 | 65% | 0.651 | 60% | 0.601 | S | S | * | * | trans | -116.4 | 10.9 | -165.4 | -86.9 | -85.2 | 0 | 0 | 0 | 118.7 | E431 | Y429-E431 VanDerWaalsContact C-N 3.33Å; Y429-E431 PolarHBondContact O-N 3.35Å | ||
| 430 | H | 27.7 | Very low | 43 | Very low | 158 Ų | 158 | 115.9 Ų | 115.9 | 73% | 0.731 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | 64.8 | 175.5 | -101.6 | -56.7 | 0 | 0 | 0 | 114.1 | ||
| 431 | E | 30.6 | Very low | 40 | Very low | 163 Ų | 163 | 116.3 Ų | 116.3 | 76% | 0.762 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.8 | -26.4 | 161.7 | -136.2 | 173.1 | -149.6 | 0 | 0 | 116.6 | Y429 | Y429-E431 VanDerWaalsContact C-N 3.33Å; Y429-E431 PolarHBondContact O-N 3.35Å |
| 432 | N | 29.6 | Very low | 37.1 | Very low | 120 Ų | 120 | 120 Ų | 120 | 64% | 0.642 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -98.4 | -23.8 | -163.2 | -78.6 | -61.5 | 0 | 0 | 0 | 118.1 | ||
| 433 | N | 29.8 | Very low | 34.1 | Very low | 148 Ų | 148 | 122 Ų | 122 | 79% | 0.791 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -96.4 | -26.6 | -168.4 | -79.5 | -12.9 | 0 | 0 | 0 | 116.1 | Q435 | N433-Q435 VanDerWaalsContact C-N 3.31Å; N433-Q435 PolarHBondContact O-N 3.42Å |
| 434 | D | 30.7 | Very low | 31.4 | Very low | 134 Ų | 134 | 126.7 Ų | 126.7 | 72% | 0.717 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -6.2 | -176.1 | -74.3 | -48.1 | 0 | 0 | 0 | 114.8 | S437 | D434-S437 PolarHBondContact O-OG 3.31Š|
| 435 | Q | 28.7 | Very low | 30 | Very low | 163 Ų | 163 | 131.3 Ų | 131.3 | 76% | 0.762 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -5.8 | -179.6 | -65.8 | -163.2 | 18.1 | 0 | 0 | 115.4 | N433 S437 | N433-Q435 VanDerWaalsContact C-N 3.31Å; N433-Q435 PolarHBondContact O-N 3.42Å; Q435-S437 PolarHBondContact O-N 3.02Å |
| 436 | L | 32.2 | Very low | 28.7 | Very low | 166 Ų | 166 | 136.2 Ų | 136.2 | 87% | 0.869 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 15 | 178.3 | -103.9 | 83.3 | 0 | 0 | 0 | 115 | ||
| 437 | S | 23.3 | Very low | 27.9 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | 23.1 | 178.5 | 62.2 | 0 | 0 | 0 | 0 | 114.2 | D434 Q435 | D434-S437 PolarHBondContact O-OG 3.31Å; Q435-S437 PolarHBondContact O-N 3.02Å |
| 438 | G | 24.5 | Very low | 27.7 | Very low | 62 Ų | 62 | 134.7 Ų | 134.7 | 64% | 0.639 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -131.4 | 143.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | S440 | G438-S440 PolarHBondContact O-N 3.1Š|
| 439 | H | 24.5 | Very low | 27.9 | Very low | 205 Ų | 205 | 133.3 Ų | 133.3 | 95% | 0.949 | 72% | 0.718 | S | S | * | * | trans | -68.5 | 117.3 | 176.3 | -85.7 | -78.5 | 0 | 0 | 0 | 113 | ||||
| 440 | S | 24.1 | Very low | 28 | Very low | 121 Ų | 121 | 131.4 Ų | 131.4 | 85% | 0.846 | 72% | 0.719 | S | S | * | * | trans | -161.9 | 164 | 142.1 | 61.4 | 0 | 0 | 0 | 0 | 112.8 | G438 | G438-S440 PolarHBondContact O-N 3.1Š| ||
| 441 | S | 24.5 | Very low | 28.1 | Very low | 87 Ų | 87 | 128.1 Ų | 128.1 | 61% | 0.608 | 71% | 0.71 | S | S | * | * | trans | -82.7 | 152.3 | -173 | 58.7 | 0 | 0 | 0 | 0 | 114.2 | K443 | S441-K443 VanDerWaalsContact C-N 3.33Å; S441-K443 PolarHBondContact O-N 3.33Å | ||
| 442 | P | 27.6 | Very low | 28.2 | Very low | 132 Ų | 132 | 125.4 Ų | 125.4 | 86% | 0.857 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -70.5 | 80.9 | 177.1 | 30.7 | -36.5 | 0 | 0 | 0 | 112.4 | ||
| 443 | K | 24.1 | Very low | 28.1 | Very low | 141 Ų | 141 | 124.5 Ų | 124.5 | 61% | 0.613 | 69% | 0.691 | S | S | * | * | trans | -139.9 | 18.6 | 179.8 | -100.5 | -166.1 | 177.9 | -174.6 | 0 | 115.7 | S441 H1733 | S441-K443 VanDerWaalsContact C-N 3.33Å; S441-K443 PolarHBondContact O-N 3.33Å; K443-H1733 PolarHBondContact NZ-NE2 3.37Å | ||
| 444 | H | 25.7 | Very low | 28 | Very low | 145 Ų | 145 | 120.7 Ų | 120.7 | 67% | 0.671 | 68% | 0.676 | S | S | * | * | trans | -140.7 | 35.3 | 179.5 | -103.5 | -65.8 | 0 | 0 | 0 | 116.8 | T447 | H444-T447 PolarHBondContact CE1-OG1 3.27Å; H444-T447 PolarHBondContact ND1-OG1 2.91Å | ||
| 445 | I | 32.9 | Very low | 28.2 | Very low | 146 Ų | 146 | 120.5 Ų | 120.5 | 75% | 0.749 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -3.8 | 174.7 | -68.4 | 175.1 | 0 | 0 | 0 | 113.1 | ||
| 446 | I | 29.6 | Very low | 28.3 | Very low | 155 Ų | 155 | 119 Ų | 119 | 80% | 0.795 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | 4.6 | -178.9 | -66.4 | 176.1 | 0 | 0 | 0 | 112.4 | ||
| 447 | T | 25.9 | Very low | 28 | Very low | 94 Ų | 94 | 116.6 Ų | 116.6 | 58% | 0.577 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -119.9 | -1.3 | -172.4 | -26.6 | 0 | 0 | 0 | 0 | 114.9 | H444 | H444-T447 PolarHBondContact CE1-OG1 3.27Å; H444-T447 PolarHBondContact ND1-OG1 2.91Å |
| 448 | S | 30 | Very low | 28.2 | Very low | 62 Ų | 62 | 118.1 Ų | 118.1 | 43% | 0.434 | 65% | 0.654 | S | S | . | * | S | Bend | trans | -99.6 | 2.4 | 173.4 | 42.9 | 0 | 0 | 0 | 0 | 113.9 | N450 T451 L452 | S448-N450 PolarHBondContact O-N 3.23Å; S448-N450 VanDerWaalsContact O-N 3.1Å; S448-T451 PolarHBondContact O-N 3.07Å; S448-T451 PolarHBondContact O-OG1 2.8Å; S448-T451 VanDerWaalsContact O-OG1 3.05Å; S448-L452 PolarHBondContact O-N 3.14Å |
| 449 | L | 32.5 | Very low | 28.2 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 61% | 0.613 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -3.6 | 175.8 | -93.7 | 167.1 | 0 | 0 | 0 | 114.8 | ||
| 450 | N | 28.8 | Very low | 28.2 | Very low | 126 Ų | 126 | 122.7 Ų | 122.7 | 67% | 0.674 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -31 | 173.4 | -73.2 | -10.7 | 0 | 0 | 0 | 113.1 | S448 K453 S454 | S448-N450 PolarHBondContact O-N 3.23Å; S448-N450 VanDerWaalsContact O-N 3.1Å; N450-K453 VanDerWaalsContact O-CB 3.25Å; N450-K453 WeakPolarHBondContact O-CB 3.42Å; N450-K453 PolarHBondContact O-N 3.28Å; N450-S454 PolarHBondContact O-N 3.18Å; N450-S454 VanDerWaalsContact O-N 3.13Å; N450-S454 PolarHBondContact O-OG 2.92Å |
| 451 | T | 31.6 | Very low | 28.2 | Very low | 90 Ų | 90 | 123.2 Ų | 123.2 | 55% | 0.552 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -76.3 | -37.7 | 177.1 | 35 | 0 | 0 | 0 | 0 | 112.2 | S448 K453 S454 I455 | S448-T451 PolarHBondContact O-N 3.07Å; S448-T451 PolarHBondContact O-OG1 2.8Å; S448-T451 VanDerWaalsContact O-OG1 3.05Å; T451-K453 PolarHBondContact O-N 3.14Å; T451-S454 WeakPolarHBondContact CA-OG 3.44Å; T451-S454 PolarHBondContact O-N 2.85Å; T451-S454 PolarHBondContact O-OG 3.01Å; T451-I455 PolarHBondContact O-N 3.28Å |
| 452 | L | 31.8 | Very low | 28.3 | Very low | 106 Ų | 106 | 128.8 Ų | 128.8 | 56% | 0.555 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -63.4 | -25.9 | 167.5 | -102.1 | 167.4 | 0 | 0 | 0 | 112.4 | S448 L456 | S448-L452 PolarHBondContact O-N 3.14Å; L452-L456 PolarHBondContact O-N 3.29Å |
| 453 | K | 27.3 | Very low | 28.2 | Very low | 100 Ų | 100 | 127.7 Ų | 127.7 | 44% | 0.435 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -71 | -47.6 | 175.8 | -137 | 175 | 162.4 | -79.8 | 0 | 111.5 | N450 T451 I455 L456 E457 | N450-K453 VanDerWaalsContact O-CB 3.25Å; N450-K453 WeakPolarHBondContact O-CB 3.42Å; N450-K453 PolarHBondContact O-N 3.28Å; T451-K453 PolarHBondContact O-N 3.14Å; K453-I455 PolarHBondContact O-N 2.88Å; K453-I455 VanDerWaalsContact O-N 3.17Å; K453-L456 PolarHBondContact O-N 2.74Å; K453-L456 VanDerWaalsContact O-N 3.12Å; K453-E457 HydrophobicContact CG-CG 4.33Å; K453-E457 WeakPolarHBondContact CG-OE2 3.48Å; K453-E457 IonicContact NZ-OE1 2.86Å; K453-E457 PolarHBondContact NZ-OE1 3.36Å; K453-E457 IonicContact NZ-OE2 2.75Å; K453-E457 PolarHBondContact NZ-OE2 2.83Å; K453-E457 WeakPolarHBondContact O-CB 3.48Å; K453-E457 WeakPolarHBondContact O-CG 3.37Å; K453-E457 PolarHBondContact O-N 3.24Å |
| 454 | S | 28.1 | Very low | 28.1 | Very low | 69 Ų | 69 | 125.4 Ų | 125.4 | 48% | 0.483 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -61.8 | -21.8 | 176 | 43.7 | 0 | 0 | 0 | 0 | 114.8 | N450 T451 | N450-S454 PolarHBondContact O-N 3.18Å; N450-S454 VanDerWaalsContact O-N 3.13Å; N450-S454 PolarHBondContact O-OG 2.92Å; T451-S454 WeakPolarHBondContact CA-OG 3.44Å; T451-S454 PolarHBondContact O-N 2.85Å; T451-S454 PolarHBondContact O-OG 3.01Å |
| 455 | I | 33.9 | Very low | 28.1 | Very low | 130 Ų | 130 | 125.7 Ų | 125.7 | 67% | 0.667 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -85.4 | -35.4 | 175 | -64.7 | 171.4 | 0 | 0 | 0 | 111.2 | T451 K453 | T451-I455 PolarHBondContact O-N 3.28Å; K453-I455 PolarHBondContact O-N 2.88Å; K453-I455 VanDerWaalsContact O-N 3.17Å |
| 456 | L | 31.7 | Very low | 27.6 | Very low | 130 Ų | 130 | 124.8 Ų | 124.8 | 68% | 0.681 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -83.2 | -22.9 | 178.4 | -83.7 | 158.7 | 0 | 0 | 0 | 114.5 | L452 K453 N458 | L452-L456 PolarHBondContact O-N 3.29Å; K453-L456 PolarHBondContact O-N 2.74Å; K453-L456 VanDerWaalsContact O-N 3.12Å; L456-N458 VanDerWaalsContact C-N 3.3Å; L456-N458 PolarHBondContact O-N 3.49Å |
| 457 | E | 26.5 | Very low | 27.2 | Very low | 116 Ų | 116 | 125.9 Ų | 125.9 | 54% | 0.542 | 66% | 0.658 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80 | -6.1 | -177.8 | -72 | -176.3 | 132.9 | 0 | 0 | 114.2 | K453 | K453-E457 HydrophobicContact CG-CG 4.33Å; K453-E457 WeakPolarHBondContact CG-OE2 3.48Å; K453-E457 IonicContact NZ-OE1 2.86Å; K453-E457 PolarHBondContact NZ-OE1 3.36Å; K453-E457 IonicContact NZ-OE2 2.75Å; K453-E457 PolarHBondContact NZ-OE2 2.83Å; K453-E457 WeakPolarHBondContact O-CB 3.48Å; K453-E457 WeakPolarHBondContact O-CG 3.37Å; K453-E457 PolarHBondContact O-N 3.24Å |
| 458 | N | 26 | Very low | 27.1 | Very low | 147 Ų | 147 | 126.9 Ų | 126.9 | 79% | 0.786 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | 17.1 | 178.5 | -94.4 | -15.9 | 0 | 0 | 0 | 115.1 | L456 | L456-N458 VanDerWaalsContact C-N 3.3Å; L456-N458 PolarHBondContact O-N 3.49Å |
| 459 | R | 25.6 | Very low | 26.8 | Very low | 236 Ų | 236 | 130.6 Ų | 130.6 | 89% | 0.891 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -139.5 | 41.7 | 179.8 | -91.7 | -164.4 | 175.3 | -169.4 | 1 | 116.4 | ||
| 460 | T | 24.1 | Very low | 26.2 | Very low | 127 Ų | 127 | 131.8 Ų | 131.8 | 78% | 0.779 | 68% | 0.684 | S | S | * | * | trans | -145.3 | 84.4 | 166.4 | 50.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 461 | V | 25.1 | Very low | 26 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 79% | 0.794 | 69% | 0.69 | S | S | * | * | trans | -147.4 | 132 | 142 | -130.2 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 462 | F | 26.6 | Very low | 25.5 | Very low | 204 Ų | 204 | 135.8 Ų | 135.8 | 90% | 0.895 | 70% | 0.703 | S | S | * | * | cis | -132 | 177.6 | 32.9 | -117.8 | -88.7 | 0 | 0 | 0 | 116 | ||||
| 463 | S | 25 | Very low | 25.1 | Very low | 109 Ų | 109 | 139.3 Ų | 139.3 | 76% | 0.762 | 72% | 0.718 | S | S | * | * | trans | -83 | 145.8 | -165.4 | 178.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 464 | C | 21.8 | Very low | 24.9 | Very low | 94 Ų | 94 | 142.9 Ų | 142.9 | 64% | 0.635 | 74% | 0.737 | S | S | * | * | trans | -58.3 | 143 | 168.8 | 172.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 465 | H | 25.1 | Very low | 24.7 | Very low | 150 Ų | 150 | 150.8 Ų | 150.8 | 69% | 0.694 | 76% | 0.757 | S | S | * | * | -163.5 | 105.7 | 127.2 | -112.8 | 73.2 | 0 | 0 | 0 | 117.4 | |||||
| 466 | Q | 22.8 | Very low | 24.2 | Very low | 128 Ų | 128 | 148 Ų | 148 | 60% | 0.598 | 75% | 0.75 | S | S | * | * | trans | 46.7 | 121.1 | 143.2 | -65.2 | -167 | 1.3 | 0 | 0 | 124.1 | ||||
| 467 | K | 21.5 | Very low | 23.9 | Very low | 177 Ų | 177 | 149.8 Ų | 149.8 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | trans | 72.2 | 138.9 | 147.3 | -62 | 169.8 | 179.1 | 165.9 | 0 | 116.1 | ||||
| 468 | T | 22.7 | Very low | 23.8 | Very low | 115 Ų | 115 | 150.3 Ų | 150.3 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | cis | -159.8 | 132.4 | 41.8 | -44.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 469 | I | 24 | Very low | 23.7 | Very low | 140 Ų | 140 | 148.4 Ų | 148.4 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | trans | 53.6 | 125.1 | 149.5 | -65.9 | 175 | 0 | 0 | 0 | 120.2 | ||||
| 470 | N | 21.2 | Very low | 23.6 | Very low | 142 Ų | 142 | 142.9 Ų | 142.9 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | trans | 56.4 | 130.8 | 159.2 | -61.3 | 18.1 | 0 | 0 | 0 | 117.6 | ||||
| 471 | N | 23 | Very low | 23.7 | Very low | 147 Ų | 147 | 143.5 Ų | 143.5 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | -144.2 | 179.4 | 52.2 | -88.3 | -10.7 | 0 | 0 | 0 | 112.6 | |||||
| 472 | D | 21.6 | Very low | 23.7 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | trans | -68.9 | 140.5 | 173.7 | -43.1 | -88.5 | 0 | 0 | 0 | 113.1 | ||||
| 473 | M | 23.3 | Very low | 23.7 | Very low | 180 Ų | 180 | 142.6 Ų | 142.6 | 89% | 0.887 | 73% | 0.734 | S | S | * | * | trans | -167.4 | 156.9 | 136.6 | -113.7 | -163.6 | -61.2 | 0 | 0 | 110.8 | ||||
| 474 | E | 22.5 | Very low | 23.7 | Very low | 176 Ų | 176 | 144.2 Ų | 144.2 | 82% | 0.822 | 73% | 0.728 | S | S | * | * | trans | -61.1 | 152.9 | 168.5 | -60.6 | 159.4 | 104 | 0 | 0 | 110.9 | ||||
| 475 | Y | 24.9 | Very low | 23.9 | Very low | 234 Ų | 234 | 146.4 Ų | 146.4 | 92% | 0.918 | 73% | 0.732 | S | S | * | * | trans | -127 | 116.9 | 155.2 | -114.5 | -90.4 | 0 | 0 | 0 | 109.4 | ||||
| 476 | S | 24 | Very low | 24 | Very low | 72 Ų | 72 | 145 Ų | 145 | 50% | 0.503 | 74% | 0.736 | S | S | . | * | trans | -80.5 | 152.6 | -177.7 | 39.7 | 0 | 0 | 0 | 0 | 112.1 | H478 | S476-H478 PolarHBondContact O-N 3.04Å; S476-H478 PolarHBondContact OG-CD2 3.29Å | ||
| 477 | D | 24.1 | Very low | 24.1 | Very low | 167 Ų | 167 | 147.7 Ų | 147.7 | 89% | 0.893 | 75% | 0.748 | S | S | * | * | trans | -69.6 | 75.7 | 169.4 | -82.3 | -50.2 | 0 | 0 | 0 | 111.3 | S479 | D477-S479 PolarHBondContact O-N 2.74Å; D477-S479 VanDerWaalsContact O-N 3.16Å | ||
| 478 | H | 24.1 | Very low | 24.2 | Very low | 128 Ų | 128 | 147 Ų | 147 | 59% | 0.593 | 75% | 0.753 | S | S | * | * | trans | -82.3 | 83.6 | 173.4 | -95.4 | -68.4 | 0 | 0 | 0 | 111.4 | S476 | S476-H478 PolarHBondContact O-N 3.04Å; S476-H478 PolarHBondContact OG-CD2 3.29Å | ||
| 479 | S | 23.7 | Very low | 24.3 | Very low | 106 Ų | 106 | 150.9 Ų | 150.9 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -141.7 | 25 | 166.7 | 59.3 | 0 | 0 | 0 | 0 | 115.4 | D477 | D477-S479 PolarHBondContact O-N 2.74Å; D477-S479 VanDerWaalsContact O-N 3.16Å |
| 480 | S | 24.7 | Very low | 24.2 | Very low | 120 Ų | 120 | 149.4 Ų | 149.4 | 84% | 0.839 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -157.9 | 67.4 | 166 | -83.5 | 0 | 0 | 0 | 0 | 113.4 | ||
| 481 | R | 25.7 | Very low | 24.4 | Very low | 140 Ų | 140 | 149 Ų | 149 | 53% | 0.528 | 76% | 0.756 | S | S | . | * | trans | -145.7 | 114.2 | 166.4 | -78.2 | -172.5 | 172.2 | 155 | -3.5 | 110.6 | D936 | R481-D936 IonicContact NH2-OD2 3.43Å; R481-D936 PolarHBondContact NH2-OD2 2.95Å; R481-D936 VanDerWaalsContact NH2-OD2 3.13Å | ||
| 482 | N | 26 | Very low | 24.5 | Very low | 145 Ų | 145 | 149.6 Ų | 149.6 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | trans | -128 | 134.2 | 159.3 | -99.5 | -6.9 | 0 | 0 | 0 | 107.9 | ||||
| 483 | Y | 26.4 | Very low | 24.8 | Very low | 172 Ų | 172 | 148.6 Ų | 148.6 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | trans | -87.7 | 156.7 | -172.2 | -73 | -101.4 | 0 | 0 | 0 | 112.4 | ||||
| 484 | F | 25.3 | Very low | 24.8 | Very low | 142 Ų | 142 | 145.9 Ų | 145.9 | 62% | 0.623 | 74% | 0.736 | S | S | * | * | trans | -125 | 134.3 | 159 | -105.4 | -83.4 | 0 | 0 | 0 | 110.4 | N509 T510 | F484-N509 HydrophobicContact CE2-CB 4.09Å; F484-N509 HydrophobicContact CZ-CB 4.17Å; F484-N509 WeakPolarHBondContact CZ-ND2 3.23Å; F484-T510 HydrophobicContact CE2-CG2 4.32Å; F484-T510 HydrophobicContact CZ-CG2 4.45Å | ||
| 485 | I | 26.1 | Very low | 24.8 | Very low | 140 Ų | 140 | 145.4 Ų | 145.4 | 72% | 0.718 | 73% | 0.731 | S | S | * | * | trans | -131.6 | 123.9 | 162.9 | -61.3 | 175.6 | 0 | 0 | 0 | 105.9 | ||||
| 486 | P | 27 | Very low | 24.8 | Very low | 120 Ų | 120 | 140.2 Ų | 140.2 | 78% | 0.779 | 72% | 0.724 | S | S | * | * | trans | -88.3 | 134.1 | 169.9 | 33.2 | -30.1 | 0 | 0 | 0 | 110.7 | ||||
| 487 | E | 24.1 | Very low | 24.9 | Very low | 185 Ų | 185 | 140.5 Ų | 140.5 | 86% | 0.864 | 73% | 0.731 | S | S | * | * | trans | -125.8 | 156.6 | 163.4 | -84.7 | -152.5 | 143.1 | 0 | 0 | 111.8 | ||||
| 488 | N | 24.2 | Very low | 24.9 | Very low | 162 Ų | 162 | 138.4 Ų | 138.4 | 87% | 0.866 | 72% | 0.724 | S | S | * | * | trans | -89.9 | 158.3 | -156.5 | -73.1 | -45.1 | 0 | 0 | 0 | 115.4 | ||||
| 489 | K | 24.4 | Very low | 25 | Very low | 197 Ų | 197 | 139.2 Ų | 139.2 | 86% | 0.857 | 73% | 0.728 | S | S | * | * | trans | -128.6 | 135.7 | 150.5 | -76.2 | -172.8 | 178.9 | 177.7 | 0 | 107.8 | ||||
| 490 | T | 21.9 | Very low | 24.9 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 68% | 0.675 | 73% | 0.728 | S | S | * | * | cis | -160.7 | 146.2 | -5.8 | 25.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 491 | N | 25.2 | Very low | 24.8 | Very low | 132 Ų | 132 | 139.9 Ų | 139.9 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | 165.4 | 119.4 | 127.3 | -83.2 | -10.7 | 0 | 0 | 0 | 111.5 | |||||
| 492 | H | 25.9 | Very low | 24.7 | Very low | 160 Ų | 160 | 139.1 Ų | 139.1 | 74% | 0.741 | 72% | 0.721 | S | S | * | * | trans | 48.4 | 132.6 | 140.8 | -60.3 | -65.5 | 0 | 0 | 0 | 120.4 | ||||
| 493 | I | 27.2 | Very low | 24.7 | Very low | 132 Ų | 132 | 138.9 Ų | 138.9 | 68% | 0.677 | 72% | 0.715 | S | S | * | * | cis | -157.2 | 135.5 | 15.2 | -115.7 | 157.1 | 0 | 0 | 0 | 110 | ||||
| 494 | D | 23.5 | Very low | 24.6 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 66% | 0.658 | 72% | 0.718 | S | S | * | * | trans | 43.9 | 145.2 | 136 | -54.2 | 2.2 | 0 | 0 | 0 | 122.2 | ||||
| 495 | F | 23 | Very low | 24.6 | Very low | 166 Ų | 166 | 136.1 Ų | 136.1 | 73% | 0.728 | 72% | 0.724 | S | S | * | * | cis | -163.8 | 168.1 | -8.2 | -126.7 | -59.4 | 0 | 0 | 0 | 111 | ||||
| 496 | T | 24.5 | Very low | 24.4 | Very low | 126 Ų | 126 | 134.2 Ų | 134.2 | 77% | 0.773 | 72% | 0.722 | S | S | * | * | trans | 74 | 137.2 | 150.4 | 42 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 497 | A | 26.2 | Very low | 24.4 | Very low | 78 Ų | 78 | 134.3 Ų | 134.3 | 65% | 0.645 | 72% | 0.721 | S | S | * | * | cis | -158.6 | 136.9 | 1.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 498 | V | 24.2 | Very low | 24.5 | Very low | 122 Ų | 122 | 130.1 Ų | 130.1 | 74% | 0.739 | 71% | 0.712 | S | S | * | * | 82.6 | 129.9 | 109.6 | 162.6 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 499 | Q | 24.9 | Very low | 24.6 | Very low | 146 Ų | 146 | 127.8 Ų | 127.8 | 68% | 0.682 | 70% | 0.7 | S | S | * | * | cis | -154.1 | 135.9 | 5 | -114 | 176.3 | -50.2 | 0 | 0 | 110 | ||||
| 500 | Q | 23.1 | Very low | 24.7 | Very low | 160 Ų | 160 | 122 Ų | 122 | 75% | 0.748 | 68% | 0.681 | S | S | * | * | 70.8 | 143.5 | 93.9 | -72.6 | -174.6 | -17.9 | 0 | 0 | 117.5 | |||||
| 501 | S | 22.6 | Very low | 24.9 | Very low | 80 Ų | 80 | 126.4 Ų | 126.4 | 56% | 0.559 | 69% | 0.691 | S | S | * | * | cis | 178.8 | 165 | -12.1 | 56.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 502 | N | 23.7 | Very low | 25.2 | Very low | 123 Ų | 123 | 125.8 Ų | 125.8 | 66% | 0.658 | 69% | 0.686 | S | S | * | * | trans | 74.8 | 147.5 | 147.3 | -62.9 | -13.4 | 0 | 0 | 0 | 120 | ||||
| 503 | H | 25.4 | Very low | 25.5 | Very low | 140 Ų | 140 | 123.7 Ų | 123.7 | 65% | 0.648 | 68% | 0.68 | S | S | * | * | cis | -155.8 | 138.2 | -9.6 | -97.6 | -31.5 | 0 | 0 | 0 | 108.2 | ||||
| 504 | I | 23.3 | Very low | 25.6 | Very low | 142 Ų | 142 | 121.4 Ų | 121.4 | 73% | 0.728 | 67% | 0.67 | S | S | * | * | 69.5 | 121.2 | 73.5 | -66.1 | -175.1 | 0 | 0 | 0 | 112.9 | |||||
| 505 | P | 25.5 | Very low | 26.1 | Very low | 115 Ų | 115 | 120 Ų | 120 | 75% | 0.747 | 67% | 0.665 | S | S | * | * | -151.2 | 131.5 | 76.8 | 38.7 | -17.1 | 0 | 0 | 0 | 121.1 | |||||
| 506 | S | 22.4 | Very low | 26.6 | Very low | 99 Ų | 99 | 116.8 Ų | 116.8 | 69% | 0.692 | 66% | 0.659 | S | S | * | * | trans | 33.8 | 131.6 | 136.6 | 65.3 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 507 | T | 26.3 | Very low | 26.8 | Very low | 122 Ų | 122 | 115.6 Ų | 115.6 | 75% | 0.748 | 65% | 0.648 | S | S | * | * | 175.6 | 147.4 | 98.3 | 30.7 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 508 | S | 28.1 | Very low | 27 | Very low | 98 Ų | 98 | 117.6 Ų | 117.6 | 69% | 0.685 | 64% | 0.644 | S | S | * | * | trans | 73.1 | 148.7 | 159.2 | 72.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 509 | N | 25.6 | Very low | 27.2 | Very low | 113 Ų | 113 | 117.6 Ų | 117.6 | 60% | 0.604 | 64% | 0.64 | S | S | * | * | trans | -140.5 | 177.3 | -159.8 | -69.2 | -20.4 | 0 | 0 | 0 | 113.9 | F484 | F484-N509 HydrophobicContact CE2-CB 4.09Å; F484-N509 HydrophobicContact CZ-CB 4.17Å; F484-N509 WeakPolarHBondContact CZ-ND2 3.23Å | ||
| 510 | T | 25.4 | Very low | 27.6 | Very low | 76 Ų | 76 | 114.5 Ų | 114.5 | 47% | 0.466 | 63% | 0.627 | S | S | . | * | trans | 60.1 | 107.6 | 147.5 | 47.2 | 0 | 0 | 0 | 0 | 120.3 | F484 | F484-T510 HydrophobicContact CE2-CG2 4.32Å; F484-T510 HydrophobicContact CZ-CG2 4.45Å | ||
| 511 | K | 26.4 | Very low | 27.8 | Very low | 202 Ų | 202 | 114 Ų | 114 | 88% | 0.878 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -147.3 | 102.9 | 145.7 | -80 | -167.9 | 179.4 | -179.9 | 0 | 110.7 | ||
| 512 | I | 32.6 | Very low | 28 | Very low | 118 Ų | 118 | 119.3 Ų | 119.3 | 61% | 0.605 | 64% | 0.638 | S | S | * | * | S | Bend | trans | 178.5 | -46.8 | 145.7 | -96.4 | 157.5 | 0 | 0 | 0 | 108.8 | N514 V515 | I512-N514 PolarHBondContact O-N 2.73Å; I512-V515 PolarHBondContact O-N 3.08Å |
| 513 | D | 30.8 | Very low | 28.2 | Very low | 116 Ų | 116 | 124.1 Ų | 124.1 | 62% | 0.62 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -60 | -21.7 | -177.8 | -51.5 | -34.9 | 0 | 0 | 0 | 114.4 | N517 | D513-N517 PolarHBondContact O-ND2 2.89Å; D513-N517 VanDerWaalsContact O-ND2 3.14Å |
| 514 | N | 30.2 | Very low | 28.1 | Very low | 84 Ų | 84 | 124.7 Ų | 124.7 | 45% | 0.449 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -76.1 | -23.5 | 177.1 | -67.2 | -1.4 | 0 | 0 | 0 | 113.2 | I512 V516 N517 E518 | I512-N514 PolarHBondContact O-N 2.73Å; N514-V516 VanDerWaalsContact C-N 3.34Å; N514-V516 PolarHBondContact O-N 3.28Å; N514-N517 PolarHBondContact O-N 3.12Å; N514-E518 PolarHBondContact O-N 2.95Å |
| 515 | V | 34.3 | Very low | 28.1 | Very low | 94 Ų | 94 | 123.3 Ų | 123.3 | 57% | 0.57 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -72.8 | -29.2 | -175 | -179 | 0 | 0 | 0 | 0 | 112.1 | I512 N517 N519 | I512-V515 PolarHBondContact O-N 3.08Å; V515-N517 VanDerWaalsContact C-N 3.35Å; V515-N519 PolarHBondContact O-ND2 2.84Å |
| 516 | V | 34.1 | Very low | 28.1 | Very low | 98 Ų | 98 | 124.1 Ų | 124.1 | 59% | 0.594 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -71 | -32 | 173.1 | -177.8 | 0 | 0 | 0 | 0 | 111.2 | N514 | N514-V516 VanDerWaalsContact C-N 3.34Å; N514-V516 PolarHBondContact O-N 3.28Å |
| 517 | N | 28.6 | Very low | 28.4 | Very low | 102 Ų | 102 | 128.2 Ų | 128.2 | 55% | 0.545 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -88.7 | -40.4 | -177 | -72.6 | -67.3 | 0 | 0 | 0 | 113.9 | D513 N514 V515 N519 I520 | D513-N517 PolarHBondContact O-ND2 2.89Å; D513-N517 VanDerWaalsContact O-ND2 3.14Å; N514-N517 PolarHBondContact O-N 3.12Å; V515-N517 VanDerWaalsContact C-N 3.35Å; N517-N519 PolarHBondContact O-N 2.86Å; N517-N519 VanDerWaalsContact O-N 3.15Å; N517-I520 PolarHBondContact O-N 2.92Å; N517-I520 VanDerWaalsContact O-N 3.08Å |
| 518 | E | 29.1 | Very low | 28.4 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 56% | 0.556 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -65.8 | -19.2 | -176 | -77.7 | -156.8 | 122.5 | 0 | 0 | 114.6 | N514 I520 | N514-E518 PolarHBondContact O-N 2.95Å; E518-I520 VanDerWaalsContact C-N 3.33Å |
| 519 | N | 29.5 | Very low | 28.2 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 65% | 0.652 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -12.1 | 175.7 | -79.2 | -58.6 | 0 | 0 | 0 | 114 | V515 N517 | V515-N519 PolarHBondContact O-ND2 2.84Å; N517-N519 PolarHBondContact O-N 2.86Å; N517-N519 VanDerWaalsContact O-N 3.15Å |
| 520 | I | 31.8 | Very low | 28 | Very low | 82 Ų | 82 | 133.3 Ų | 133.3 | 42% | 0.421 | 68% | 0.681 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85 | -40.6 | -179.7 | -62.5 | 176.4 | 0 | 0 | 0 | 110.7 | N517 E518 R522 L538 | N517-I520 PolarHBondContact O-N 2.92Å; N517-I520 VanDerWaalsContact O-N 3.08Å; E518-I520 VanDerWaalsContact C-N 3.33Å; I520-R522 VanDerWaalsContact C-N 3.34Å; I520-R522 PolarHBondContact O-N 3.06Å; I520-L538 HydrophobicContact CD1-CD2 4Å |
| 521 | D | 27.2 | Very low | 28 | Very low | 148 Ų | 148 | 141.2 Ų | 141.2 | 79% | 0.791 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -3.6 | -175.4 | -81.6 | -24.5 | 0 | 0 | 0 | 115.3 | ||
| 522 | R | 28.1 | Very low | 27.9 | Very low | 193 Ų | 193 | 138.1 Ų | 138.1 | 73% | 0.728 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 10.4 | -179.6 | -71.6 | -171.1 | -180 | 166.3 | 9.5 | 115.6 | I520 | I520-R522 VanDerWaalsContact C-N 3.34Å; I520-R522 PolarHBondContact O-N 3.06Å |
| 523 | R | 26.5 | Very low | 27.5 | Very low | 223 Ų | 223 | 142.2 Ų | 142.2 | 84% | 0.842 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -129.7 | 22.2 | -179.6 | -78 | -173.8 | 173.8 | 160.6 | -0.9 | 116 | ||
| 524 | N | 23.7 | Very low | 27.2 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 81% | 0.813 | 71% | 0.713 | S | S | * | * | trans | -139.5 | 73.7 | 175.6 | -87.2 | -57.6 | 0 | 0 | 0 | 114 | ||||
| 525 | S | 24 | Very low | 26.9 | Very low | 113 Ų | 113 | 146.7 Ų | 146.7 | 79% | 0.79 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -145.9 | 29 | 172.5 | 55.9 | 0 | 0 | 0 | 0 | 116.1 | ||
| 526 | T | 25.4 | Very low | 26.6 | Very low | 133 Ų | 133 | 149.6 Ų | 149.6 | 82% | 0.816 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -156.2 | 157.3 | 157.1 | 9.4 | 0 | 0 | 0 | 0 | 111.7 | ||
| 527 | E | 28.3 | Very low | 26.4 | Very low | 185 Ų | 185 | 151.1 Ų | 151.1 | 86% | 0.864 | 74% | 0.74 | S | S | * | * | trans | 67.5 | 55.4 | 169.5 | -53.1 | -148.2 | 133 | 0 | 0 | 120 | ||||
| 528 | I | 26.4 | Very low | 26.6 | Very low | 141 Ų | 141 | 152.4 Ų | 152.4 | 72% | 0.723 | 75% | 0.747 | S | S | * | * | 36.9 | 110.7 | 117.6 | -57.5 | -178.3 | 0 | 0 | 0 | 118.5 | |||||
| 529 | K | 23.4 | Very low | 26.9 | Very low | 193 Ų | 193 | 153.2 Ų | 153.2 | 84% | 0.839 | 75% | 0.754 | S | S | * | * | trans | 64.7 | 112.4 | 153.4 | -59.9 | 167 | -169.7 | 170 | 0 | 116.7 | ||||
| 530 | S | 23.3 | Very low | 28.2 | Very low | 106 Ų | 106 | 149.8 Ų | 149.8 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | 174.6 | 172.1 | 61.4 | 54.9 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 531 | R | 23.5 | Very low | 29.6 | Very low | 242 Ų | 242 | 150.2 Ų | 150.2 | 91% | 0.913 | 74% | 0.74 | S | S | * | * | trans | 76.9 | 119.2 | 169.5 | -63.4 | -176.7 | 172.3 | 174.4 | -2 | 118.1 | F533 | R531-F533 PolarHBondContact O-N 2.88Š| ||
| 532 | T | 25.2 | Very low | 31.7 | Very low | 137 Ų | 137 | 148.7 Ų | 148.7 | 84% | 0.84 | 73% | 0.728 | S | S | * | * | trans | -60.2 | 116.2 | 163.8 | 24.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 533 | F | 23.7 | Very low | 34 | Very low | 203 Ų | 203 | 142.5 Ų | 142.5 | 89% | 0.89 | 71% | 0.712 | S | S | * | * | trans | -174.1 | 91.5 | 148.1 | -116.6 | -74.8 | 0 | 0 | 0 | 111.8 | R531 | R531-F533 PolarHBondContact O-N 2.88Š| ||
| 534 | H | 25.2 | Very low | 36.5 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 58% | 0.583 | 68% | 0.684 | S | S | * | * | trans | 166 | 124.7 | 143.2 | -94.2 | -41.5 | 0 | 0 | 0 | 111.3 | F537 | H534-F537 AromaticContact CD2-CD2 3.92Å; H534-F537 AromaticContact CE1-CE2 3.96Å; H534-F537 AromaticContact NE2-CD2 3.87Å; H534-F537 AromaticContact NE2-CE2 3.58Å | ||
| 535 | N | 24.4 | Very low | 39.5 | Very low | 169 Ų | 169 | 130.7 Ų | 130.7 | 90% | 0.904 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -130.6 | 34.5 | 164.6 | -109.6 | 12.3 | 0 | 0 | 0 | 109.6 | ||
| 536 | Q | 28.2 | Very low | 42.5 | Very low | 155 Ų | 155 | 127.4 Ų | 127.4 | 72% | 0.724 | 63% | 0.631 | S | S | * | * | trans | -130.7 | -0.2 | -161.3 | -154.7 | 168.9 | 5.9 | 0 | 0 | 114.3 | ||||
| 537 | F | 28.7 | Very low | 45.5 | Very low | 130 Ų | 130 | 122.2 Ų | 122.2 | 57% | 0.57 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -97.9 | -15.9 | -176.8 | -103.8 | -84.5 | 0 | 0 | 0 | 114.9 | H534 S540 | H534-F537 AromaticContact CD2-CD2 3.92Å; H534-F537 AromaticContact CE1-CE2 3.96Å; H534-F537 AromaticContact NE2-CD2 3.87Å; H534-F537 AromaticContact NE2-CE2 3.58Å; F537-S540 PolarHBondContact O-OG 2.98Å |
| 538 | L | 32.4 | Very low | 48.6 | Very low | 129 Ų | 129 | 113.4 Ų | 113.4 | 68% | 0.675 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -84.5 | -21.5 | -177.4 | -83.6 | 162.7 | 0 | 0 | 0 | 114 | I520 S540 | I520-L538 HydrophobicContact CD1-CD2 4Å; L538-S540 VanDerWaalsContact C-N 3.32Å; L538-S540 PolarHBondContact O-N 2.62Å |
| 539 | L | 35.8 | Very low | 51.7 | Low | 135 Ų | 135 | 107.8 Ų | 107.8 | 71% | 0.707 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -77.3 | -14.1 | 177.9 | -85.3 | 79.4 | 0 | 0 | 0 | 113.6 | T543 | L539-T543 WeakPolarHBondContact O-CG2 3.27Å; L539-T543 PolarHBondContact O-OG1 3.16Å |
| 540 | S | 56.2 | Low | 54.9 | Low | 50 Ų | 50 | 99 Ų | 99 | 35% | 0.35 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -89.4 | -13.3 | -170.6 | 51.3 | 0 | 0 | 0 | 0 | 115.9 | F537 L538 T543 R544 | F537-S540 PolarHBondContact O-OG 2.98Å; L538-S540 VanDerWaalsContact C-N 3.32Å; L538-S540 PolarHBondContact O-N 2.62Å; S540-T543 WeakPolarHBondContact CA-OG1 3.44Å; S540-T543 PolarHBondContact O-OG1 2.67Å; S540-R544 WeakPolarHBondContact O-CD 3.2Å; S540-R544 WeakPolarHBondContact O-CG 3.41Å |
| 541 | E | 62.8 | Low | 58.2 | Low | 92 Ų | 92 | 94 Ų | 94 | 43% | 0.43 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -91.3 | -42.5 | 174 | -66.1 | -154.1 | 125.2 | 0 | 0 | 112 | N418 T543 R544 I545 | N418-E541 PolarHBondContact ND2-OE1 3.23Å; E541-T543 VanDerWaalsContact C-N 3.29Å; E541-T543 PolarHBondContact O-N 3.04Å; E541-R544 PolarHBondContact O-N 3.17Å; E541-I545 WeakPolarHBondContact O-CG1 3.41Å; E541-I545 PolarHBondContact O-N 3.25Å; E541-I545 VanDerWaalsContact O-N 3.1Å |
| 542 | E | 70.9 | Confident | 61.5 | Low | 115 Ų | 115 | 82.7 Ų | 82.7 | 54% | 0.537 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.2 | -37.9 | 178.9 | -133.9 | -154 | 132 | 0 | 0 | 111.7 | Q546 K978 | E542-Q546 VanDerWaalsContact O-CD 3.32Å; E542-Q546 WeakPolarHBondContact O-CG 3.28Å; E542-Q546 PolarHBondContact O-N 3.22Å; E542-Q546 VanDerWaalsContact O-N 3.15Å; E542-Q546 PolarHBondContact O-NE2 3.02Å; E542-Q546 PolarHBondContact OE1-NE2 2.97Å; E542-Q546 VanDerWaalsContact OE1-NE2 3.11Å; E542-K978 IonicContact OE1-NZ 3.19Å; E542-K978 PolarHBondContact OE1-NZ 2.91Å |
| 543 | T | 75.4 | Confident | 64.7 | Low | 64 Ų | 64 | 76.1 Ų | 76.1 | 39% | 0.393 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.3 | -58.3 | 173.4 | 36.4 | 0 | 0 | 0 | 0 | 111 | L539 S540 E541 I545 Q546 D547 | L539-T543 WeakPolarHBondContact O-CG2 3.27Å; L539-T543 PolarHBondContact O-OG1 3.16Å; S540-T543 WeakPolarHBondContact CA-OG1 3.44Å; S540-T543 PolarHBondContact O-OG1 2.67Å; E541-T543 VanDerWaalsContact C-N 3.29Å; E541-T543 PolarHBondContact O-N 3.04Å; T543-I545 PolarHBondContact O-N 2.83Å; T543-I545 VanDerWaalsContact O-N 3.07Å; T543-Q546 CarbonylContact O-C 3.51Å; T543-Q546 WeakPolarHBondContact O-CA 3.16Å; T543-Q546 WeakPolarHBondContact O-CB 3.46Å; T543-Q546 PolarHBondContact O-N 2.67Å; T543-D547 PolarHBondContact O-N 3.31Å |
| 544 | R | 79.7 | Confident | 67.9 | Low | 71 Ų | 71 | 66.5 Ų | 66.5 | 27% | 0.268 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -53 | -35.4 | 179.1 | -75.2 | 179.2 | 168.9 | -157.7 | -8.9 | 114.7 | N418 S540 E541 Y548 L1102 | N418-R544 WeakPolarHBondContact OD1-CD 3.38Å; N418-R544 PolarHBondContact OD1-NH1 2.76Å; S540-R544 WeakPolarHBondContact O-CD 3.2Å; S540-R544 WeakPolarHBondContact O-CG 3.41Å; E541-R544 PolarHBondContact O-N 3.17Å; R544-Y548 VanDerWaalsContact O-CB 3.26Å; R544-Y548 WeakPolarHBondContact O-CB 3.33Å; R544-Y548 PolarHBondContact O-N 3.27Å; R544-L1102 HydrophobicContact CB-CD2 4.46Å; R544-L1102 HydrophobicContact CG-CD2 4.37Å |
| 545 | I | 86.8 | Confident | 71.1 | Confident | 56 Ų | 56 | 60.6 Ų | 60.6 | 29% | 0.287 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -70 | -41.8 | 175.1 | -66.1 | 166.4 | 0 | 0 | 0 | 110.8 | I417 E541 T543 Y548 F549 | I417-I545 HydrophobicContact CG2-CG1 4.02Å; E541-I545 WeakPolarHBondContact O-CG1 3.41Å; E541-I545 PolarHBondContact O-N 3.25Å; E541-I545 VanDerWaalsContact O-N 3.1Å; T543-I545 PolarHBondContact O-N 2.83Å; T543-I545 VanDerWaalsContact O-N 3.07Å; I545-Y548 PolarHBondContact O-N 2.85Å; I545-F549 HydrophobicContact CG2-CD2 3.96Å; I545-F549 HydrophobicContact CG2-CE2 3.84Å; I545-F549 VanDerWaalsContact O-CD2 3.23Å; I545-F549 WeakPolarHBondContact O-CD2 3.38Å; I545-F549 PolarHBondContact O-N 2.9Å; I545-F549 VanDerWaalsContact O-N 3.14Å |
| 546 | Q | 87.3 | Confident | 74.3 | Confident | 43 Ų | 43 | 52.6 Ų | 52.6 | 20% | 0.201 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 174.9 | -65.9 | 164.6 | 46.6 | 0 | 0 | 111.3 | E542 T543 F549 L550 Y962 | E542-Q546 VanDerWaalsContact O-CD 3.32Å; E542-Q546 WeakPolarHBondContact O-CG 3.28Å; E542-Q546 PolarHBondContact O-N 3.22Å; E542-Q546 VanDerWaalsContact O-N 3.15Å; E542-Q546 PolarHBondContact O-NE2 3.02Å; E542-Q546 PolarHBondContact OE1-NE2 2.97Å; E542-Q546 VanDerWaalsContact OE1-NE2 3.11Å; T543-Q546 CarbonylContact O-C 3.51Å; T543-Q546 WeakPolarHBondContact O-CA 3.16Å; T543-Q546 WeakPolarHBondContact O-CB 3.46Å; T543-Q546 PolarHBondContact O-N 2.67Å; Q546-F549 PolarHBondContact O-N 3.15Å; Q546-L550 VanDerWaalsContact O-CB 3.3Å; Q546-L550 WeakPolarHBondContact O-CB 3.45Å; Q546-L550 PolarHBondContact O-N 2.79Å; Q546-Y962 WeakPolarHBondContact CA-OH 3.36Å; Q546-Y962 WeakPolarHBondContact CB-OH 3.36Å; Q546-Y962 VanDerWaalsContact CG-OH 3.32Å; Q546-Y962 WeakPolarHBondContact CG-OH 3.07Å |
| 547 | D | 88.5 | Confident | 76.9 | Confident | 25 Ų | 25 | 46.7 Ų | 46.7 | 13% | 0.134 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66 | -37 | 177.6 | -62.8 | -46 | 0 | 0 | 0 | 112 | T543 L550 A551 F1014 L1102 | T543-D547 PolarHBondContact O-N 3.31Å; D547-L550 PolarHBondContact O-N 3.39Å; D547-A551 VanDerWaalsContact O-CB 3.26Å; D547-A551 WeakPolarHBondContact O-CB 3.35Å; D547-A551 PolarHBondContact O-N 3.23Å; D547-F1014 HydrophobicContact CB-CZ 4.42Å; D547-L1102 HydrophobicContact CB-CD1 4.44Å; D547-L1102 HydrophobicContact CB-CD2 4.09Å |
| 548 | Y | 92.3 | Very high | 79.6 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.2 | -47.7 | 172.7 | 178.1 | -94.3 | 0 | 0 | 0 | 112.4 | A415 I417 R544 I545 A551 L552 I1057 L1102 T1105 | A415-Y548 HydrophobicContact CB-CE1 4.35Å; I417-Y548 HydrophobicContact CD1-CD1 3.51Å; I417-Y548 HydrophobicContact CD1-CE1 3.52Å; I417-Y548 HydrophobicContact CD1-CG 4.25Å; I417-Y548 HydrophobicContact CG1-CD1 3.86Å; I417-Y548 HydrophobicContact CG1-CD2 4.44Å; I417-Y548 HydrophobicContact CG1-CE1 3.7Å; I417-Y548 HydrophobicContact CG1-CE2 4.31Å; I417-Y548 HydrophobicContact CG1-CG 4.22Å; I417-Y548 HydrophobicContact CG2-CD1 4.44Å; I417-Y548 HydrophobicContact CG2-CD2 4.48Å; I417-Y548 HydrophobicContact CG2-CG 4.14Å; R544-Y548 VanDerWaalsContact O-CB 3.26Å; R544-Y548 WeakPolarHBondContact O-CB 3.33Å; R544-Y548 PolarHBondContact O-N 3.27Å; I545-Y548 PolarHBondContact O-N 2.85Å; Y548-A551 PolarHBondContact O-N 2.81Å; Y548-L552 HydrophobicContact CD1-CD1 3.94Å; Y548-L552 HydrophobicContact CE1-CD1 3.57Å; Y548-L552 HydrophobicContact CE1-CG 4.41Å; Y548-L552 WeakPolarHBondContact O-CG 3.46Å; Y548-L552 PolarHBondContact O-N 3.27Å; Y548-I1057 HydrophobicContact CD2-CB 4.42Å; Y548-I1057 HydrophobicContact CD2-CD1 4.42Å; Y548-I1057 HydrophobicContact CE2-CB 4.31Å; Y548-I1057 HydrophobicContact CE2-CD1 3.92Å; Y548-I1057 HydrophobicContact CE2-CG1 4.5Å; Y548-L1102 HydrophobicContact CD2-CB 4.23Å; Y548-T1105 WeakPolarHBondContact OH-CG2 3.38Å |
| 549 | F | 92.2 | Very high | 82 | Confident | 22 Ų | 22 | 36.5 Ų | 36.5 | 10% | 0.096 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.8 | -30.5 | 176.8 | -73.5 | -62.9 | 0 | 0 | 0 | 113.1 | I417 I545 Q546 L552 A553 R960 Y962 | I417-F549 HydrophobicContact CD1-CE2 4.25Å; I417-F549 HydrophobicContact CD1-CZ 4.17Å; I545-F549 HydrophobicContact CG2-CD2 3.96Å; I545-F549 HydrophobicContact CG2-CE2 3.84Å; I545-F549 VanDerWaalsContact O-CD2 3.23Å; I545-F549 WeakPolarHBondContact O-CD2 3.38Å; I545-F549 PolarHBondContact O-N 2.9Å; I545-F549 VanDerWaalsContact O-N 3.14Å; Q546-F549 PolarHBondContact O-N 3.15Å; F549-L552 HydrophobicContact CD1-CD1 3.7Å; F549-L552 HydrophobicContact CE1-CD1 4.05Å; F549-A553 PolarHBondContact O-N 3.08Å; F549-R960 HydrophobicContact CD1-CB 4.26Å; F549-R960 HydrophobicContact CD1-CG 3.98Å; F549-R960 HydrophobicContact CE1-CB 4.43Å; F549-R960 HydrophobicContact CE1-CG 3.68Å; F549-R960 HydrophobicContact CZ-CG 4Å; F549-Y962 HydrophobicContact CB-CD1 4.24Å; F549-Y962 HydrophobicContact CB-CD2 3.63Å; F549-Y962 HydrophobicContact CB-CE1 4.29Å; F549-Y962 HydrophobicContact CB-CE2 3.69Å; F549-Y962 HydrophobicContact CB-CG 3.93Å; F549-Y962 HydrophobicContact CG-CD2 4.41Å; F549-Y962 HydrophobicContact CG-CE2 4.42Å |
| 550 | L | 91.1 | Very high | 84 | Confident | 8 Ų | 8 | 31.4 Ų | 31.4 | 4% | 0.042 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64 | -48.5 | 169.1 | -175.3 | 63 | 0 | 0 | 0 | 110.7 | Q546 D547 L552 A553 I554 Y962 L974 L976 I984 F1014 | Q546-L550 VanDerWaalsContact O-CB 3.3Å; Q546-L550 WeakPolarHBondContact O-CB 3.45Å; Q546-L550 PolarHBondContact O-N 2.79Å; D547-L550 PolarHBondContact O-N 3.39Å; L550-L552 VanDerWaalsContact C-N 3.29Å; L550-L552 PolarHBondContact O-N 2.99Å; L550-A553 CarbonylContact O-C 3.54Å; L550-A553 WeakPolarHBondContact O-CA 3.32Å; L550-A553 WeakPolarHBondContact O-CB 3.46Å; L550-A553 PolarHBondContact O-N 3.42Å; L550-I554 HydrophobicContact CG-CD1 4.25Å; L550-I554 HydrophobicContact CG-CG1 4.37Å; L550-I554 VanDerWaalsContact O-CG1 3.31Å; L550-I554 WeakPolarHBondContact O-CG1 3.03Å; L550-I554 PolarHBondContact O-N 3.16Å; L550-Y962 HydrophobicContact CB-CD1 4.42Å; L550-Y962 HydrophobicContact CB-CE1 4.34Å; L550-L974 HydrophobicContact CD1-CD1 3.59Å; L550-L976 HydrophobicContact CD1-CD2 4.17Å; L550-I984 HydrophobicContact CD1-CD1 4.33Å; L550-F1014 HydrophobicContact CB-CE2 4.47Å; L550-F1014 HydrophobicContact CD2-CE2 4.32Å; L550-F1014 HydrophobicContact CG-CE2 4.19Å |
| 551 | A | 92.3 | Very high | 84.6 | Confident | 2 Ų | 2 | 29.3 Ų | 29.3 | 2% | 0.017 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.9 | -39.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D547 Y548 A553 C555 F1014 I1057 L1102 | D547-A551 VanDerWaalsContact O-CB 3.26Å; D547-A551 WeakPolarHBondContact O-CB 3.35Å; D547-A551 PolarHBondContact O-N 3.23Å; Y548-A551 PolarHBondContact O-N 2.81Å; A551-A553 VanDerWaalsContact C-N 3.33Å; A551-A553 PolarHBondContact O-N 3.32Å; A551-C555 WeakPolarHBondContact O-CB 3.41Å; A551-C555 PolarHBondContact O-N 3.25Å; A551-F1014 HydrophobicContact CB-CD2 3.58Å; A551-F1014 HydrophobicContact CB-CE2 3.68Å; A551-F1014 HydrophobicContact CB-CG 4.04Å; A551-F1014 HydrophobicContact CB-CZ 4.21Å; A551-I1057 HydrophobicContact CB-CG2 3.73Å; A551-L1102 HydrophobicContact CB-CD1 4.39Å |
| 552 | L | 93.2 | Very high | 84.2 | Confident | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.4 | -40.8 | 170.9 | -70.5 | 170.8 | 0 | 0 | 0 | 112.4 | Y548 F549 L550 N556 L953 A957 I1057 T1105 | Y548-L552 HydrophobicContact CD1-CD1 3.94Å; Y548-L552 HydrophobicContact CE1-CD1 3.57Å; Y548-L552 HydrophobicContact CE1-CG 4.41Å; Y548-L552 WeakPolarHBondContact O-CG 3.46Å; Y548-L552 PolarHBondContact O-N 3.27Å; F549-L552 HydrophobicContact CD1-CD1 3.7Å; F549-L552 HydrophobicContact CE1-CD1 4.05Å; L550-L552 VanDerWaalsContact C-N 3.29Å; L550-L552 PolarHBondContact O-N 2.99Å; L552-N556 PolarHBondContact O-ND2 3.12Å; L552-L953 HydrophobicContact CD2-CB 3.82Å; L552-L953 HydrophobicContact CD2-CD1 3.9Å; L552-L953 HydrophobicContact CD2-CD2 3.73Å; L552-L953 HydrophobicContact CD2-CG 3.99Å; L552-A957 HydrophobicContact CB-CB 4Å; L552-I1057 HydrophobicContact CD2-CD1 3.43Å; L552-I1057 VanDerWaalsContact CD2-CD1 3.43Å; L552-I1057 HydrophobicContact CG-CD1 3.96Å; L552-T1105 HydrophobicContact CD2-CG2 4.21Å |
| 553 | A | 91.6 | Very high | 83.2 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -75.9 | -30.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | F549 L550 A551 N556 A957 | F549-A553 PolarHBondContact O-N 3.08Å; L550-A553 CarbonylContact O-C 3.54Å; L550-A553 WeakPolarHBondContact O-CA 3.32Å; L550-A553 WeakPolarHBondContact O-CB 3.46Å; L550-A553 PolarHBondContact O-N 3.42Å; A551-A553 VanDerWaalsContact C-N 3.33Å; A551-A553 PolarHBondContact O-N 3.32Å; A553-N556 PolarHBondContact O-ND2 3.42Å; A553-A957 HydrophobicContact CB-CB 4.07Å |
| 554 | I | 91.5 | Very high | 81.9 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -112.2 | -25.9 | -177.1 | 57.5 | 165.4 | 0 | 0 | 0 | 116.7 | L550 N556 R967 I972 L974 I984 F1003 F1014 | L550-I554 HydrophobicContact CG-CD1 4.25Å; L550-I554 HydrophobicContact CG-CG1 4.37Å; L550-I554 VanDerWaalsContact O-CG1 3.31Å; L550-I554 WeakPolarHBondContact O-CG1 3.03Å; L550-I554 PolarHBondContact O-N 3.16Å; I554-N556 PolarHBondContact O-N 3.3Å; I554-R967 PolarHBondContact O-NH2 2.76Å; I554-I972 HydrophobicContact CB-CD1 3.87Å; I554-I972 HydrophobicContact CG2-CD1 3.83Å; I554-I972 HydrophobicContact CG2-CG2 4.1Å; I554-L974 HydrophobicContact CG2-CD1 3.74Å; I554-L974 HydrophobicContact CG2-CD2 3.96Å; I554-L974 HydrophobicContact CG2-CG 4.26Å; I554-I984 HydrophobicContact CD1-CD1 4.47Å; I554-F1003 HydrophobicContact CD1-CD1 3.88Å; I554-F1003 HydrophobicContact CD1-CD2 3.95Å; I554-F1003 HydrophobicContact CD1-CE1 3.67Å; I554-F1003 HydrophobicContact CD1-CE2 3.72Å; I554-F1003 HydrophobicContact CD1-CG 4.04Å; I554-F1003 HydrophobicContact CD1-CZ 3.59Å; I554-F1014 HydrophobicContact CD1-CD2 3.94Å; I554-F1014 HydrophobicContact CD1-CE2 4Å; I554-F1014 HydrophobicContact CG1-CD2 4.09Å; I554-F1014 HydrophobicContact CG1-CE2 4.28Å |
| 555 | C | 92.6 | Very high | 79.9 | Confident | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.02 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -83.4 | 62.8 | -180 | -168.3 | 0 | 0 | 0 | 0 | 111.1 | A551 I1001 F1014 K1016 | A551-C555 WeakPolarHBondContact O-CB 3.41Å; A551-C555 PolarHBondContact O-N 3.25Å; C555-I1001 HydrophobicContact CB-CG2 3.92Å; C555-F1014 HydrophobicContact CB-CB 4.31Å; C555-K1016 WeakPolarHBondContact O-CD 3.19Å; C555-K1016 WeakPolarHBondContact O-CE 3.48Å; C555-K1016 PolarHBondContact O-NZ 3.29Å |
| 556 | N | 90.1 | Very high | 77.1 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -153.7 | 167.8 | -175.9 | 55.8 | 60.7 | 0 | 0 | 0 | 111.5 | L552 A553 I554 A558 E950 V954 R967 M999 | L552-N556 PolarHBondContact O-ND2 3.12Å; A553-N556 PolarHBondContact O-ND2 3.42Å; I554-N556 PolarHBondContact O-N 3.3Å; N556-A558 VanDerWaalsContact C-N 3.34Å; N556-A558 HydrophobicContact CB-CB 4.33Å; N556-A558 WeakPolarHBondContact OD1-CB 3.29Å; N556-A558 PolarHBondContact OD1-N 3.41Å; N556-A558 VanDerWaalsContact OD1-N 3.15Å; N556-E950 WeakPolarHBondContact CA-OE2 3.16Å; N556-E950 HydrophobicContact CB-CB 4.31Å; N556-E950 WeakPolarHBondContact CB-OE2 3.34Å; N556-V954 HydrophobicContact CB-CG2 4.31Å; N556-V954 VanDerWaalsContact ND2-CG2 3.27Å; N556-V954 WeakPolarHBondContact ND2-CG2 3.36Å; N556-R967 PolarHBondContact O-NH1 2.84Å; N556-R967 PolarHBondContact O-NH2 3.25Å; N556-R967 PolarHBondContact OD1-NH2 2.98Å; N556-M999 WeakPolarHBondContact O-CE 3.31Å |
| 557 | T | 84.5 | Confident | 74.1 | Confident | 31 Ų | 31 | 30.9 Ų | 30.9 | 19% | 0.19 | 18% | 0.178 | C | C | . | . | trans | -98.7 | 21.3 | 168.1 | 56.5 | 0 | 0 | 0 | 0 | 112.2 | E946 E950 M999 | T557-E946 WeakPolarHBondContact CB-OE2 3.21Å; T557-E946 WeakPolarHBondContact CG2-OE2 3.4Å; T557-E946 WeakPolarHBondContact OG1-CB 3.45Å; T557-E946 WeakPolarHBondContact OG1-CG 3.42Å; T557-E946 PolarHBondContact OG1-OE2 3.14Å; T557-E950 PolarHBondContact N-OE2 3.42Å; T557-M999 HydrophobicContact CG2-CE 3.49Å; T557-M999 VanDerWaalsContact CG2-CE 3.49Å; T557-M999 HydrophobicContact CG2-SD 4.14Å | ||
| 558 | A | 85.1 | Confident | 71.2 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -72.8 | 139.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | N556 E944 V954 L964 R967 | N556-A558 VanDerWaalsContact C-N 3.34Å; N556-A558 HydrophobicContact CB-CB 4.33Å; N556-A558 WeakPolarHBondContact OD1-CB 3.29Å; N556-A558 PolarHBondContact OD1-N 3.41Å; N556-A558 VanDerWaalsContact OD1-N 3.15Å; A558-E944 CarbonylContact C-O 3.59Å; A558-E944 VanDerWaalsContact CA-O 3.23Å; A558-E944 WeakPolarHBondContact CA-O 3.26Å; A558-V954 HydrophobicContact CB-CG2 3.83Å; A558-L964 HydrophobicContact CB-CD2 3.93Å; A558-L964 WeakPolarHBondContact O-CD2 3.3Å; A558-R967 VanDerWaalsContact O-CD 3.26Å; A558-R967 WeakPolarHBondContact O-CD 3.39Å; A558-R967 PolarHBondContact O-NE 3.32Å | ||
| 559 | V | 81.3 | Confident | 68.1 | Low | 44 Ų | 44 | 42.4 Ų | 42.4 | 27% | 0.267 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 166.6 | 176.5 | -66.3 | 0 | 0 | 0 | 0 | 109.9 | Y943 E944 R967 | V559-Y943 WeakPolarHBondContact O-CA 3.47Å; V559-E944 HydrophobicContact CG2-CB 4.25Å; V559-E944 PolarHBondContact N-O 3.2Å; V559-E944 PolarHBondContact O-N 3.43Å; V559-R967 HydrophobicContact CG1-CB 4.44Å |
| 560 | V | 79.7 | Confident | 65 | Low | 29 Ų | 29 | 50.2 Ų | 50.2 | 18% | 0.176 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 100.2 | -177.7 | -179.7 | 0 | 0 | 0 | 0 | 107.6 | V562 L939 S942 Y943 L964 L965 | V560-V562 PolarHBondContact O-N 3.03Å; V560-L939 HydrophobicContact CG1-CD2 4.39Å; V560-S942 WeakPolarHBondContact CG1-OG 3.42Å; V560-Y943 HydrophobicContact CG2-CD1 3.86Å; V560-Y943 HydrophobicContact CG2-CE1 3.65Å; V560-L964 HydrophobicContact CG2-CG 4.38Å; V560-L965 WeakPolarHBondContact CG2-O 3.33Å |
| 561 | S | 68.7 | Low | 61.8 | Low | 5 Ų | 5 | 58.3 Ų | 58.3 | 4% | 0.035 | 31% | 0.314 | C | S | . | . | trans | -78.7 | 121.9 | -177.6 | 67.4 | 0 | 0 | 0 | 0 | 111.8 | T563 S942 E944 | S561-T563 VanDerWaalsContact C-N 3.33Å; S561-T563 PolarHBondContact O-N 3.5Å; S561-S942 PolarHBondContact N-O 2.81Å; S561-S942 WeakPolarHBondContact O-CB 3.32Å; S561-S942 PolarHBondContact OG-O 2.67Å; S561-E944 WeakPolarHBondContact CB-OE1 3.43Å; S561-E944 VanDerWaalsContact OG-CD 3.28Å; S561-E944 PolarHBondContact OG-OE1 3.02Å | ||
| 562 | V | 53.7 | Low | 58.7 | Low | 44 Ų | 44 | 63.1 Ų | 63.1 | 27% | 0.267 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -70.2 | -31.1 | -176.5 | -176.5 | 0 | 0 | 0 | 0 | 112 | V560 K564 N565 E918 D920 | V560-V562 PolarHBondContact O-N 3.03Å; V562-K564 VanDerWaalsContact C-N 3.26Å; V562-K564 PolarHBondContact O-N 3.44Å; V562-K564 VanDerWaalsContact O-N 3.07Å; V562-N565 WeakPolarHBondContact O-CB 3.31Å; V562-N565 PolarHBondContact O-N 3.38Å; V562-E918 WeakPolarHBondContact CG2-OE2 3.16Å; V562-D920 HydrophobicContact CG1-CB 4.05Å; V562-D920 WeakPolarHBondContact CG1-OD2 3.33Å |
| 563 | T | 49.2 | Very low | 55.5 | Low | 65 Ų | 65 | 67.5 Ų | 67.5 | 40% | 0.399 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -54.2 | -34 | -170.9 | 54.5 | 0 | 0 | 0 | 0 | 114.8 | T148 S561 N565 T566 | T148-T563 HydrophobicContact CG2-CG2 4.32Å; S561-T563 VanDerWaalsContact C-N 3.33Å; S561-T563 PolarHBondContact O-N 3.5Å; T563-N565 VanDerWaalsContact C-N 3.27Å; T563-N565 PolarHBondContact O-N 2.68Å; T563-T566 PolarHBondContact O-OG1 3.4Å; T563-T566 VanDerWaalsContact O-OG1 3.13Å |
| 564 | K | 49.1 | Very low | 52.3 | Low | 95 Ų | 95 | 72.9 Ų | 72.9 | 41% | 0.413 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -75.9 | -6.8 | -178.7 | -66.2 | 172.2 | -176.7 | 153.9 | 0 | 114.8 | V562 T566 N941 E944 | V562-K564 VanDerWaalsContact C-N 3.26Å; V562-K564 PolarHBondContact O-N 3.44Å; V562-K564 VanDerWaalsContact O-N 3.07Å; K564-T566 VanDerWaalsContact C-N 3.34Å; K564-N941 WeakPolarHBondContact CD-O 3.47Å; K564-N941 PolarHBondContact NZ-O 3.06Å; K564-E944 WeakPolarHBondContact CE-OE1 3.3Å; K564-E944 IonicContact NZ-OE1 3.5Å; K564-E944 PolarHBondContact NZ-OE1 2.82Å |
| 565 | N | 36.4 | Very low | 49.3 | Very low | 69 Ų | 69 | 84 Ų | 84 | 37% | 0.369 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -84.8 | -9.1 | 178.7 | -65.8 | -25.6 | 0 | 0 | 0 | 113.2 | V562 T563 T938 | V562-N565 WeakPolarHBondContact O-CB 3.31Å; V562-N565 PolarHBondContact O-N 3.38Å; T563-N565 VanDerWaalsContact C-N 3.27Å; T563-N565 PolarHBondContact O-N 2.68Å; N565-T938 WeakPolarHBondContact OD1-CG2 3.46Å |
| 566 | T | 28.6 | Very low | 46.3 | Very low | 69 Ų | 69 | 95.7 Ų | 95.7 | 42% | 0.423 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -81.3 | 134.1 | 167.9 | 63.2 | 0 | 0 | 0 | 0 | 109.9 | T563 K564 T568 | T563-T566 PolarHBondContact O-OG1 3.4Å; T563-T566 VanDerWaalsContact O-OG1 3.13Å; K564-T566 VanDerWaalsContact C-N 3.34Å; T566-T568 PolarHBondContact O-N 2.95Å; T566-T568 PolarHBondContact O-OG1 2.97Å; T566-T568 WeakPolarHBondContact OG1-CG2 3.43Å; T566-T568 PolarHBondContact OG1-OG1 3.01Å |
| 567 | P | 25.1 | Very low | 43.4 | Very low | 132 Ų | 132 | 105 Ų | 105 | 86% | 0.857 | 53% | 0.533 | S | S | * | . | trans | -76.1 | 63.1 | 169.8 | 32.6 | -34.6 | 0 | 0 | 0 | 109.7 | L569 | P567-L569 PolarHBondContact O-N 3.04Š| ||
| 568 | T | 26.4 | Very low | 40.6 | Very low | 105 Ų | 105 | 106.1 Ų | 106.1 | 64% | 0.644 | 55% | 0.55 | S | S | * | * | trans | -70.8 | 81.7 | 172.8 | 30.6 | 0 | 0 | 0 | 0 | 109.3 | T566 F570 | T566-T568 PolarHBondContact O-N 2.95Å; T566-T568 PolarHBondContact O-OG1 2.97Å; T566-T568 WeakPolarHBondContact OG1-CG2 3.43Å; T566-T568 PolarHBondContact OG1-OG1 3.01Å; T568-F570 PolarHBondContact O-N 3.39Å | ||
| 569 | L | 28.6 | Very low | 38.1 | Very low | 162 Ų | 162 | 115.8 Ų | 115.8 | 85% | 0.848 | 59% | 0.593 | S | S | * | * | trans | -14.6 | 98.2 | 152.3 | -176.1 | 76.5 | 0 | 0 | 0 | 111.7 | P567 E571 | P567-L569 PolarHBondContact O-N 3.04Å; L569-E571 PolarHBondContact O-N 3.11Å; L569-E571 VanDerWaalsContact O-N 3.15Å | ||
| 570 | F | 25.6 | Very low | 35.6 | Very low | 187 Ų | 187 | 119.5 Ų | 119.5 | 82% | 0.82 | 60% | 0.602 | S | S | * | * | trans | -52.6 | 125.4 | 167 | -93 | -92 | 0 | 0 | 0 | 107.7 | T568 V572 | T568-F570 PolarHBondContact O-N 3.39Å; F570-V572 PolarHBondContact O-N 2.99Å | ||
| 571 | E | 25.4 | Very low | 33.2 | Very low | 177 Ų | 177 | 124.9 Ų | 124.9 | 83% | 0.827 | 63% | 0.63 | S | S | * | * | trans | -67.9 | 86.5 | 173.6 | -170.9 | -177.3 | -128.1 | 0 | 0 | 108.3 | L569 P573 | L569-E571 PolarHBondContact O-N 3.11Å; L569-E571 VanDerWaalsContact O-N 3.15Å; E571-P573 WeakPolarHBondContact O-CD 3.18Å | ||
| 572 | V | 25.6 | Very low | 31.4 | Very low | 103 Ų | 103 | 133 Ų | 133 | 62% | 0.624 | 67% | 0.665 | S | S | * | * | trans | -56.5 | 114 | 175.6 | 176 | 0 | 0 | 0 | 0 | 106.8 | F570 P574 | F570-V572 PolarHBondContact O-N 2.99Å; V572-P574 VanDerWaalsContact O-N 3.11Å | ||
| 573 | P | 26.4 | Very low | 30.2 | Very low | 97 Ų | 97 | 139.5 Ų | 139.5 | 63% | 0.63 | 69% | 0.69 | S | S | * | * | trans | -58.5 | 123.4 | -172.2 | 21.6 | -32.7 | 0 | 0 | 0 | 108.6 | E571 R575 | E571-P573 WeakPolarHBondContact O-CD 3.18Å; P573-R575 PolarHBondContact O-N 3.49Å | ||
| 574 | P | 25.7 | Very low | 29.1 | Very low | 113 Ų | 113 | 147.6 Ų | 147.6 | 73% | 0.734 | 71% | 0.713 | S | S | * | * | trans | -57 | 117.8 | -165.8 | 18.2 | -31.6 | 0 | 0 | 0 | 109.9 | V572 R576 | V572-P574 VanDerWaalsContact O-N 3.11Å; P574-R576 PolarHBondContact O-N 2.98Å | ||
| 575 | R | 28.1 | Very low | 28.1 | Very low | 233 Ų | 233 | 148.9 Ų | 148.9 | 88% | 0.879 | 73% | 0.734 | S | S | * | * | trans | -42.5 | 101.4 | -170 | -88.7 | -179.4 | 164.2 | 170.1 | -4 | 111.4 | P573 K577 | P573-R575 PolarHBondContact O-N 3.49Å; R575-K577 VanDerWaalsContact C-N 3.27Å; R575-K577 PolarHBondContact O-N 3.28Å | ||
| 576 | R | 29.5 | Very low | 27.7 | Very low | 249 Ų | 249 | 149.3 Ų | 149.3 | 94% | 0.94 | 76% | 0.755 | S | S | * | * | trans | -64.5 | 91.6 | 167.5 | -83.4 | -170.3 | 170.2 | -169.9 | -2.5 | 108.3 | P574 G578 | P574-R576 PolarHBondContact O-N 2.98Å; R576-G578 PolarHBondContact O-N 3.22Å | ||
| 577 | K | 27.8 | Very low | 27.7 | Very low | 197 Ų | 197 | 156.5 Ų | 156.5 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | trans | -55.4 | 102.8 | 168.5 | -74.6 | 179.7 | 178.3 | 172.1 | 0 | 107.9 | R575 | R575-K577 VanDerWaalsContact C-N 3.27Å; R575-K577 PolarHBondContact O-N 3.28Å | ||
| 578 | G | 27.5 | Very low | 27.8 | Very low | 53 Ų | 53 | 156.1 Ų | 156.1 | 55% | 0.546 | 77% | 0.77 | S | S | . | * | trans | -58.8 | 151.6 | 177 | 0 | 0 | 0 | 0 | 0 | 110.6 | R576 R580 | R576-G578 PolarHBondContact O-N 3.22Å; G578-R580 PolarHBondContact O-N 3.44Å | ||
| 579 | F | 31.8 | Very low | 27.9 | Very low | 204 Ų | 204 | 155.1 Ų | 155.1 | 90% | 0.895 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 37.8 | -174.1 | -153.8 | -100.3 | 0 | 0 | 0 | 113.4 | ||
| 580 | R | 29.4 | Very low | 28 | Very low | 121 Ų | 121 | 151 Ų | 151 | 46% | 0.457 | 75% | 0.746 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -116.5 | -23 | -157.6 | -148.2 | 173.3 | -175.8 | 123.1 | -4.2 | 114 | W363 N367 G578 | W363-R580 VanDerWaalsContact CZ2-CZ 3.42Å; N367-R580 PolarHBondContact ND2-NH1 2.88Å; N367-R580 VanDerWaalsContact ND2-NH1 3.12Å; N367-R580 PolarHBondContact OD1-NH1 3.04Å; G578-R580 PolarHBondContact O-N 3.44Å |
| 581 | D | 29.3 | Very low | 28.1 | Very low | 143 Ų | 143 | 146.4 Ų | 146.4 | 77% | 0.765 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -88.3 | -11.7 | -179 | -65.2 | -28.4 | 0 | 0 | 0 | 113.9 | F583 | D581-F583 PolarHBondContact O-N 2.71Å; D581-F583 VanDerWaalsContact O-N 3.1Å |
| 582 | F | 30.6 | Very low | 28.2 | Very low | 175 Ų | 175 | 143.7 Ų | 143.7 | 77% | 0.768 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -14 | -175.6 | -156 | -98.1 | 0 | 0 | 0 | 114.2 | ||
| 583 | F | 28 | Very low | 28.4 | Very low | 180 Ų | 180 | 147.5 Ų | 147.5 | 79% | 0.789 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.3 | 34.2 | -174.1 | -79.6 | -75.1 | 0 | 0 | 0 | 114.4 | D581 | D581-F583 PolarHBondContact O-N 2.71Å; D581-F583 VanDerWaalsContact O-N 3.1Å |
| 584 | R | 26 | Very low | 28.4 | Very low | 235 Ų | 235 | 150.4 Ų | 150.4 | 89% | 0.887 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -141.9 | 20.9 | 179.2 | -123.6 | 176.6 | -163.7 | -162 | 3.4 | 122 | ||
| 585 | S | 28.7 | Very low | 28.5 | Very low | 122 Ų | 122 | 154.3 Ų | 154.3 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | trans | -153.2 | 106.1 | 157 | 62.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 586 | G | 26.9 | Very low | 28.6 | Very low | 79 Ų | 79 | 152 Ų | 152 | 81% | 0.814 | 75% | 0.752 | S | S | * | * | trans | -129.7 | 100.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 587 | K | 29.8 | Very low | 28.6 | Very low | 220 Ų | 220 | 149.6 Ų | 149.6 | 96% | 0.957 | 75% | 0.748 | S | S | * | * | trans | -154.5 | 151.6 | 150.4 | -118.8 | 170.9 | -174.5 | 177.7 | 0 | 111.6 | ||||
| 588 | L | 27.6 | Very low | 28.5 | Very low | 123 Ų | 123 | 146.5 Ų | 146.5 | 64% | 0.644 | 74% | 0.741 | S | S | * | * | trans | -117.3 | 161.9 | -147.7 | -153.2 | 72.8 | 0 | 0 | 0 | 112.7 | I623 | L588-I623 HydrophobicContact CD1-CD1 4.31Å; L588-I623 HydrophobicContact CD2-CD1 3.98Å; L588-I623 HydrophobicContact CG-CD1 4.34Å | ||
| 589 | N | 27.9 | Very low | 28.4 | Very low | 84 Ų | 84 | 155.6 Ų | 155.6 | 45% | 0.449 | 76% | 0.758 | S | S | . | * | trans | 97 | 102.7 | 155.1 | -53.6 | -48 | 0 | 0 | 0 | 119.5 | ||||
| 590 | S | 31.2 | Very low | 28.2 | Very low | 75 Ų | 75 | 155.3 Ų | 155.3 | 52% | 0.524 | 76% | 0.757 | S | S | . | * | -161.3 | 147.7 | 94.8 | 55.1 | 0 | 0 | 0 | 0 | 114.1 | L1844 | S590-L1844 WeakPolarHBondContact OG-CD2 3.48Š| |||
| 591 | I | 27.8 | Very low | 28.2 | Very low | 92 Ų | 92 | 156.8 Ų | 156.8 | 47% | 0.472 | 78% | 0.779 | S | S | . | * | trans | -120.2 | 141.1 | 176.5 | -59.9 | 163.9 | 0 | 0 | 0 | 107.4 | I623 | I591-I623 HydrophobicContact CD1-CB 3.79Å; I591-I623 HydrophobicContact CD1-CD1 4.44Å; I591-I623 HydrophobicContact CD1-CG2 4.08Å | ||
| 592 | T | 26.9 | Very low | 27.9 | Very low | 120 Ų | 120 | 159.8 Ų | 159.8 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | 153.5 | 80 | 137.3 | 50.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 593 | H | 29.1 | Very low | 27.9 | Very low | 183 Ų | 183 | 160.3 Ų | 160.3 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -157.3 | 35.8 | 154.7 | -145.7 | -71.8 | 0 | 0 | 0 | 116 | ||
| 594 | L | 27.7 | Very low | 28 | Very low | 158 Ų | 158 | 160.6 Ų | 160.6 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | trans | -141 | 35.7 | 176.2 | -150.8 | 81.4 | 0 | 0 | 0 | 114.5 | ||||
| 595 | H | 26.8 | Very low | 28 | Very low | 194 Ų | 194 | 157.8 Ų | 157.8 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -102.1 | 14.9 | -174.7 | -145.4 | -65.2 | 0 | 0 | 0 | 114.5 | ||
| 596 | Q | 29.3 | Very low | 28 | Very low | 186 Ų | 186 | 159.9 Ų | 159.9 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -137.4 | 12.7 | -162.3 | -151.2 | 173.1 | 1.5 | 0 | 0 | 115.8 | ||
| 597 | K | 30.7 | Very low | 28.2 | Very low | 197 Ų | 197 | 163.2 Ų | 163.2 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -133.2 | 12.6 | -179.3 | -135.2 | -178.2 | -177.7 | -175.6 | 0 | 117.5 | ||
| 598 | L | 25.5 | Very low | 28 | Very low | 133 Ų | 133 | 160.7 Ų | 160.7 | 70% | 0.696 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -120 | 40.8 | 170.9 | -80.6 | 168.8 | 0 | 0 | 0 | 112.5 | ||
| 599 | R | 25.7 | Very low | 27.9 | Very low | 243 Ų | 243 | 163.7 Ų | 163.7 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | trans | -129.3 | 78.6 | 166.9 | -85.1 | -173.5 | 170 | -179.1 | -3 | 109.7 | ||||
| 600 | K | 28.2 | Very low | 28.3 | Very low | 199 Ų | 199 | 167.4 Ų | 167.4 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 168.8 | 83.3 | 155.5 | -99.1 | 178 | 177.9 | -170.8 | 0 | 111.3 | ||
| 601 | T | 28.6 | Very low | 28 | Very low | 151 Ų | 151 | 167.2 Ų | 167.2 | 93% | 0.926 | 80% | 0.797 | S | S | * | * | trans | 175.3 | 96 | 142.6 | 29.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 602 | K | 23 | Very low | 27.8 | Very low | 207 Ų | 207 | 169.7 Ų | 169.7 | 90% | 0.9 | 81% | 0.807 | S | S | * | * | trans | -159.4 | 60.1 | 167.4 | -160.6 | -177.8 | -175.7 | -177.9 | 0 | 110.5 | ||||
| 603 | Q | 29.5 | Very low | 27.8 | Very low | 186 Ų | 186 | 166 Ų | 166 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | trans | -161.9 | 140.5 | 178.8 | -108.5 | 165.6 | -11.1 | 0 | 0 | 107.9 | ||||
| 604 | Q | 30.6 | Very low | 27.6 | Very low | 186 Ų | 186 | 161.4 Ų | 161.4 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | trans | 65.5 | 128.9 | -162.7 | -59.4 | 178 | -9.1 | 0 | 0 | 112.3 | ||||
| 605 | Q | 27 | Very low | 27.5 | Very low | 175 Ų | 175 | 157.3 Ų | 157.3 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | cis | -134 | 163.3 | -6.1 | -107.2 | 172.2 | 2.2 | 0 | 0 | 111.3 | ||||
| 606 | H | 28.4 | Very low | 27.4 | Very low | 166 Ų | 166 | 155.5 Ų | 155.5 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | trans | -147.7 | 133.9 | 171.7 | -156.1 | 47.2 | 0 | 0 | 0 | 106.4 | ||||
| 607 | Q | 30.1 | Very low | 27.1 | Very low | 150 Ų | 150 | 153.1 Ų | 153.1 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | trans | 70.6 | 131.4 | -160 | -47.4 | 174.5 | -2.2 | 0 | 0 | 112 | ||||
| 608 | Q | 26.6 | Very low | 26.9 | Very low | 167 Ų | 167 | 148.5 Ų | 148.5 | 78% | 0.78 | 72% | 0.721 | S | S | * | * | S | Bend | cis | -132 | 165.6 | 3.1 | -64.9 | -177.3 | -11.5 | 0 | 0 | 111.4 | ||
| 609 | Q | 25.9 | Very low | 26.7 | Very low | 186 Ų | 186 | 149.8 Ų | 149.8 | 87% | 0.869 | 72% | 0.722 | S | S | * | * | trans | 54.6 | 96.4 | 177.9 | -65.2 | -173.5 | -5.6 | 0 | 0 | 114.8 | ||||
| 610 | Q | 35.9 | Very low | 26.7 | Very low | 161 Ų | 161 | 143.2 Ų | 143.2 | 75% | 0.752 | 71% | 0.713 | S | S | * | * | trans | -106.7 | 106 | -157.8 | -65.7 | 168.6 | -4.4 | 0 | 0 | 111.9 | ||||
| 611 | S | 24.3 | Very low | 26.6 | Very low | 72 Ų | 72 | 140.6 Ų | 140.6 | 50% | 0.503 | 71% | 0.708 | S | S | . | * | trans | -136.4 | 154.7 | 169.1 | 42 | 0 | 0 | 0 | 0 | 109.2 | Q817 | S611-Q817 PolarHBondContact O-NE2 3.1Å; S611-Q817 PolarHBondContact OG-NE2 3.35Å | ||
| 612 | Q | 23.3 | Very low | 26.6 | Very low | 143 Ų | 143 | 139.5 Ų | 139.5 | 67% | 0.668 | 70% | 0.697 | S | S | * | * | trans | -3.4 | 150.1 | 160.6 | -117.9 | -157 | 71 | 0 | 0 | 117.4 | Q817 | Q612-Q817 WeakPolarHBondContact O-CG 3.24Å; Q612-Q817 PolarHBondContact O-NE2 3.42Å | ||
| 613 | P | 27.3 | Very low | 26.7 | Very low | 44 Ų | 44 | 133.9 Ų | 133.9 | 29% | 0.286 | 68% | 0.675 | S | S | . | * | cis | -110.4 | -145.6 | 1 | 45.7 | -25.7 | 0 | 0 | 0 | 129.7 | Y815 | P613-Y815 VanDerWaalsContact C-CB 3.4Å; P613-Y815 WeakPolarHBondContact CA-OH 3.22Å; P613-Y815 HydrophobicContact CB-CD1 3.69Å; P613-Y815 HydrophobicContact CB-CD2 2.59Å; P613-Y815 HydrophobicContact CB-CE1 3.91Å; P613-Y815 HydrophobicContact CB-CE2 2.9Å; P613-Y815 HydrophobicContact CB-CG 3.07Å; P613-Y815 HydrophobicContact CG-CD1 3.9Å; P613-Y815 HydrophobicContact CG-CD2 3.32Å; P613-Y815 HydrophobicContact CG-CE2 4.17Å; P613-Y815 HydrophobicContact CG-CG 3.17Å; P613-Y815 WeakPolarHBondContact O-CD1 3.3Å; P613-Y815 WeakPolarHBondContact O-CE1 3.11Å; P613-Y815 WeakPolarHBondContact O-CE2 3.43Å | ||
| 614 | N | 24.6 | Very low | 26.3 | Very low | 86 Ų | 86 | 132.7 Ų | 132.7 | 46% | 0.46 | 67% | 0.668 | S | S | . | * | -135.5 | 176.2 | -89.5 | -143.2 | 2.3 | 0 | 0 | 0 | 114.2 | H814 Y815 | N614-H814 HydrophobicContact CB-CB 4.08Å; N614-H814 WeakPolarHBondContact CB-CD2 3.45Å; N614-H814 VanDerWaalsContact CB-CG 3.43Å; N614-H814 WeakPolarHBondContact CB-NE2 3.21Å; N614-H814 PolarHBondContact ND2-CE1 2.71Å; N614-H814 PolarHBondContact ND2-NE2 3.38Å; N614-Y815 VanDerWaalsContact CA-CD2 3.41Å; N614-Y815 HydrophobicContact CB-CD2 3.31Å; N614-Y815 HydrophobicContact CB-CE2 3Å; N614-Y815 VanDerWaalsContact CG-CE2 3.45Å; N614-Y815 VanDerWaalsContact N-CZ 3.3Å | |||
| 615 | T | 25.3 | Very low | 25.9 | Very low | 72 Ų | 72 | 129.6 Ų | 129.6 | 44% | 0.442 | 66% | 0.657 | S | S | . | * | trans | 23.2 | 133.3 | 141.7 | 62 | 0 | 0 | 0 | 0 | 122.4 | H814 | T615-H814 PolarHBondContact OG1-CD2 2.89Š| ||
| 616 | L | 25.6 | Very low | 25.9 | Very low | 155 Ų | 155 | 131.1 Ų | 131.1 | 81% | 0.812 | 66% | 0.661 | S | S | * | * | 56.5 | 111.5 | 124.7 | -55 | 169.2 | 0 | 0 | 0 | 119.3 | |||||
| 617 | L | 23.8 | Very low | 25.6 | Very low | 137 Ų | 137 | 131.4 Ų | 131.4 | 72% | 0.717 | 67% | 0.665 | S | S | * | * | trans | -133.9 | 65.6 | 145.1 | -128.9 | 162.7 | 0 | 0 | 0 | 111.2 | ||||
| 618 | D | 25.1 | Very low | 25.5 | Very low | 99 Ų | 99 | 131.1 Ų | 131.1 | 53% | 0.529 | 67% | 0.666 | S | S | . | * | 27.4 | 134.1 | 125.3 | -171.5 | 26.1 | 0 | 0 | 0 | 119.5 | |||||
| 619 | K | 22.9 | Very low | 25.5 | Very low | 161 Ų | 161 | 128.4 Ų | 128.4 | 70% | 0.7 | 66% | 0.657 | S | S | * | * | trans | 69.2 | 145.7 | 172.6 | -72.2 | 138.2 | -168.4 | 154 | 0 | 117.6 | ||||
| 620 | S | 23.9 | Very low | 25.8 | Very low | 105 Ų | 105 | 124.5 Ų | 124.5 | 73% | 0.734 | 65% | 0.648 | S | S | * | * | cis | -161.3 | 172.5 | -8 | 47.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 621 | N | 27.7 | Very low | 25.4 | Very low | 144 Ų | 144 | 123.7 Ų | 123.7 | 77% | 0.77 | 65% | 0.649 | S | S | * | * | trans | -79.6 | 145.4 | -161.5 | -79.2 | -25.6 | 0 | 0 | 0 | 118.2 | ||||
| 622 | N | 26.9 | Very low | 25.9 | Very low | 128 Ų | 128 | 128.8 Ų | 128.8 | 68% | 0.684 | 66% | 0.664 | S | S | * | * | trans | 61.5 | 128.9 | 144.3 | -59.7 | -23.1 | 0 | 0 | 0 | 121.4 | ||||
| 623 | I | 25.1 | Very low | 26.1 | Very low | 88 Ų | 88 | 129.1 Ų | 129.1 | 45% | 0.451 | 67% | 0.67 | S | S | . | * | 176.6 | 118.5 | 102.5 | -91.5 | 177.3 | 0 | 0 | 0 | 113 | L588 I591 | L588-I623 HydrophobicContact CD1-CD1 4.31Å; L588-I623 HydrophobicContact CD2-CD1 3.98Å; L588-I623 HydrophobicContact CG-CD1 4.34Å; I591-I623 HydrophobicContact CD1-CB 3.79Å; I591-I623 HydrophobicContact CD1-CD1 4.44Å; I591-I623 HydrophobicContact CD1-CG2 4.08Å | |||
| 624 | K | 22 | Very low | 26 | Very low | 162 Ų | 162 | 132.6 Ų | 132.6 | 70% | 0.704 | 70% | 0.695 | S | S | * | * | trans | 68 | 137.2 | 137.1 | -72.4 | -175.9 | 153.4 | -119.8 | 0 | 127 | ||||
| 625 | D | 22.4 | Very low | 25.9 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 64% | 0.642 | 72% | 0.718 | S | S | * | * | trans | 68.7 | 94.8 | 130.1 | -52.7 | -10.6 | 0 | 0 | 0 | 123 | ||||
| 626 | K | 27.2 | Very low | 26.1 | Very low | 207 Ų | 207 | 141.6 Ų | 141.6 | 90% | 0.9 | 74% | 0.736 | S | S | * | * | 163.6 | 130.1 | 128.1 | -88.9 | 167.5 | -179 | -176 | 0 | 109.3 | |||||
| 627 | M | 22.8 | Very low | 25.8 | Very low | 173 Ų | 173 | 140.6 Ų | 140.6 | 85% | 0.852 | 72% | 0.724 | S | S | * | * | cis | 105.4 | 128.2 | 30.7 | -92.4 | -168.3 | 160 | 0 | 0 | 113.8 | ||||
| 628 | I | 26.2 | Very low | 25.7 | Very low | 143 Ų | 143 | 141.8 Ų | 141.8 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | trans | 77.1 | 100.3 | 167 | -58.2 | 164.5 | 0 | 0 | 0 | 113.9 | ||||
| 629 | D | 26.8 | Very low | 25.6 | Very low | 111 Ų | 111 | 143.5 Ų | 143.5 | 59% | 0.594 | 74% | 0.741 | S | S | * | * | 80.5 | 157.2 | 70.6 | -60.3 | -43.7 | 0 | 0 | 0 | 112.6 | K637 | D629-K637 IonicContact OD1-NZ 3.99Å; D629-K637 PolarHBondContact OD1-NZ 3.05Å; D629-K637 IonicContact OD2-NZ 2.82Å; D629-K637 PolarHBondContact OD2-NZ 3.04Å | |||
| 630 | P | 32.3 | Very low | 25.8 | Very low | 103 Ų | 103 | 142.5 Ų | 142.5 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | cis | -134.2 | -177.6 | 5.6 | 43.6 | -26.6 | 0 | 0 | 0 | 117 | ||||
| 631 | N | 28.8 | Very low | 25.8 | Very low | 144 Ų | 144 | 144.1 Ų | 144.1 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | trans | 67 | 132.4 | 165.6 | -57.2 | -17.1 | 0 | 0 | 0 | 117.7 | ||||
| 632 | H | 34 | Very low | 25.5 | Very low | 180 Ų | 180 | 144.2 Ų | 144.2 | 83% | 0.833 | 74% | 0.742 | S | S | * | * | S | Bend | cis | -106.1 | 165.3 | 10.1 | -110.4 | -110 | 0 | 0 | 0 | 114.9 | ||
| 633 | L | 27.6 | Very low | 25.3 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 78% | 0.78 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -34.9 | 142.5 | 177.1 | -84.2 | 52.3 | 0 | 0 | 0 | 116.4 | ||
| 634 | S | 25.5 | Very low | 25.2 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | cis | -153.7 | 119 | -15.2 | 53.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 635 | R | 21.8 | Very low | 25.3 | Very low | 250 Ų | 250 | 139.8 Ų | 139.8 | 94% | 0.943 | 73% | 0.732 | S | S | * | * | trans | -109.5 | 143 | 173.8 | -160 | 173.3 | -169.1 | 154.4 | 3.6 | 108.5 | ||||
| 636 | A | 29.2 | Very low | 25.2 | Very low | 98 Ų | 98 | 139.8 Ų | 139.8 | 81% | 0.81 | 73% | 0.726 | S | S | * | * | trans | -52.9 | 144.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 637 | K | 20.3 | Very low | 25 | Very low | 133 Ų | 133 | 131.2 Ų | 131.2 | 58% | 0.578 | 69% | 0.692 | S | S | * | * | trans | -156.1 | 134.7 | 159.4 | -108.4 | 164.2 | -169.1 | 160.2 | 0 | 112.6 | D629 | D629-K637 IonicContact OD1-NZ 3.99Å; D629-K637 PolarHBondContact OD1-NZ 3.05Å; D629-K637 IonicContact OD2-NZ 2.82Å; D629-K637 PolarHBondContact OD2-NZ 3.04Å | ||
| 638 | Q | 21.9 | Very low | 25.1 | Very low | 163 Ų | 163 | 128.2 Ų | 128.2 | 76% | 0.762 | 68% | 0.68 | S | S | * | * | trans | 65 | 133.9 | 148 | -69.8 | 172.3 | -67 | 0 | 0 | 121.2 | ||||
| 639 | T | 21.9 | Very low | 24.9 | Very low | 135 Ų | 135 | 129.3 Ų | 129.3 | 83% | 0.828 | 68% | 0.679 | S | S | * | * | trans | 64.5 | 139.8 | 161.3 | 54.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 640 | I | 27.1 | Very low | 24.7 | Very low | 139 Ų | 139 | 130 Ų | 130 | 71% | 0.713 | 68% | 0.682 | S | S | * | * | cis | -138.7 | 139.2 | 28.1 | -70.2 | 171.3 | 0 | 0 | 0 | 110.6 | ||||
| 641 | N | 24.3 | Very low | 24.2 | Very low | 139 Ų | 139 | 134.9 Ų | 134.9 | 74% | 0.743 | 69% | 0.687 | S | S | * | * | trans | 57.7 | 155.9 | 161.5 | -59.7 | -9.5 | 0 | 0 | 0 | 117 | ||||
| 642 | L | 21.8 | Very low | 23.9 | Very low | 147 Ų | 147 | 133.3 Ų | 133.3 | 77% | 0.77 | 69% | 0.687 | S | S | * | * | S | Bend | cis | 68.2 | 126.4 | 39.1 | -135.7 | 175.7 | 0 | 0 | 0 | 111.9 | ||
| 643 | S | 22 | Very low | 23.4 | Very low | 74 Ų | 74 | 130.5 Ų | 130.5 | 52% | 0.517 | 68% | 0.679 | S | S | . | * | trans | 48.9 | 113.7 | 165.4 | 56.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 644 | N | 22.8 | Very low | 23.3 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 71% | 0.711 | 68% | 0.683 | S | S | * | * | -169.5 | 137.9 | 129.4 | -100.7 | -14 | 0 | 0 | 0 | 113.3 | |||||
| 645 | I | 24.5 | Very low | 23.4 | Very low | 78 Ų | 78 | 135 Ų | 135 | 40% | 0.4 | 68% | 0.676 | S | S | . | * | trans | 53.9 | 113.8 | 131.5 | -54.2 | -72.3 | 0 | 0 | 0 | 115.6 | S647 F1605 | I645-S647 WeakPolarHBondContact CG2-O 3.4Å; I645-S647 WeakPolarHBondContact CG2-OG 3.09Å; I645-F1605 HydrophobicContact CD1-CB 4.04Å; I645-F1605 HydrophobicContact CD1-CD1 3.58Å; I645-F1605 HydrophobicContact CD1-CE1 4.43Å; I645-F1605 HydrophobicContact CD1-CG 4.12Å; I645-F1605 HydrophobicContact CG1-CD1 3.95Å; I645-F1605 HydrophobicContact CG1-CE1 4.38Å | ||
| 646 | F | 21.6 | Very low | 23.4 | Very low | 120 Ų | 120 | 129.3 Ų | 129.3 | 53% | 0.526 | 66% | 0.664 | S | S | . | * | S | Bend | cis | 44.1 | 61.7 | 18.4 | -143.3 | -63.1 | 0 | 0 | 0 | 114.9 | F1605 V1609 | F646-F1605 HydrophobicContact CB-CB 3.95Å; F646-F1605 HydrophobicContact CB-CD2 4.27Å; F646-F1605 HydrophobicContact CB-CG 4.46Å; F646-V1609 HydrophobicContact CD1-CG2 4.07Å; F646-V1609 HydrophobicContact CE1-CB 4.03Å; F646-V1609 HydrophobicContact CE1-CG1 3.97Å; F646-V1609 HydrophobicContact CE1-CG2 4.07Å |
| 647 | S | 22.1 | Very low | 23.3 | Very low | 27 Ų | 27 | 132 Ų | 132 | 19% | 0.189 | 66% | 0.66 | C | S | . | * | trans | 156 | 169.6 | 153.1 | 69 | 0 | 0 | 0 | 0 | 112.4 | I645 T1608 | I645-S647 WeakPolarHBondContact CG2-O 3.4Å; I645-S647 WeakPolarHBondContact CG2-OG 3.09Å; S647-T1608 WeakPolarHBondContact CB-OG1 3.27Å | ||
| 648 | N | 24.1 | Very low | 23.6 | Very low | 110 Ų | 110 | 130.8 Ų | 130.8 | 59% | 0.588 | 66% | 0.664 | S | S | * | * | trans | 65.1 | 113.7 | 171.5 | -58 | -18.1 | 0 | 0 | 0 | 115.8 | T1608 | N648-T1608 WeakPolarHBondContact OD1-CB 3.27Å; N648-T1608 WeakPolarHBondContact OD1-CG2 3.39Å; N648-T1608 PolarHBondContact OD1-OG1 3.16Å | ||
| 649 | K | 23.6 | Very low | 23.7 | Very low | 166 Ų | 166 | 129.5 Ų | 129.5 | 72% | 0.722 | 66% | 0.662 | S | S | * | * | cis | 59.9 | 123.5 | 10.8 | -141.5 | -175.1 | -179 | 177.4 | 0 | 114.3 | ||||
| 650 | L | 21.6 | Very low | 23.9 | Very low | 126 Ų | 126 | 129.1 Ų | 129.1 | 66% | 0.66 | 66% | 0.655 | S | S | * | * | trans | 76.2 | 129.4 | 164.6 | -64.1 | 151.2 | 0 | 0 | 0 | 120 | ||||
| 651 | R | 22.5 | Very low | 23.8 | Very low | 205 Ų | 205 | 130.2 Ų | 130.2 | 77% | 0.774 | 66% | 0.657 | S | S | * | * | trans | 63 | 114.3 | 136.4 | -67.9 | 173.5 | 173.1 | 164.6 | -3.9 | 120.5 | ||||
| 652 | S | 22.7 | Very low | 24 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 77% | 0.769 | 66% | 0.658 | S | S | * | * | -141.7 | 115.2 | 90.1 | 66.6 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 653 | N | 22 | Very low | 24.2 | Very low | 122 Ų | 122 | 130.1 Ų | 130.1 | 65% | 0.652 | 65% | 0.652 | S | S | * | * | 69 | 112 | 85 | -62 | -0.1 | 0 | 0 | 0 | 113.7 | |||||
| 654 | R | 26.3 | Very low | 24.4 | Very low | 228 Ų | 228 | 133.8 Ų | 133.8 | 86% | 0.86 | 66% | 0.658 | S | S | * | * | -156.8 | 129.8 | 118 | -100.5 | 175.7 | -164.6 | -151.7 | 1.9 | 107.3 | |||||
| 655 | I | 27.6 | Very low | 24.5 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 67% | 0.672 | 66% | 0.661 | S | S | * | * | 66.5 | 104.5 | 112.8 | -65 | 177 | 0 | 0 | 0 | 109.4 | |||||
| 656 | N | 22.5 | Very low | 24.6 | Very low | 131 Ų | 131 | 136.6 Ų | 136.6 | 70% | 0.701 | 67% | 0.673 | S | S | * | * | 52.4 | 132.9 | 91.2 | -63.3 | 16.7 | 0 | 0 | 0 | 110.8 | |||||
| 657 | E | 26.4 | Very low | 24.8 | Very low | 154 Ų | 154 | 137 Ų | 137 | 72% | 0.72 | 68% | 0.681 | S | S | * | * | cis | -166.1 | 155.6 | 47.8 | -133.2 | 132.4 | -117.7 | 0 | 0 | 110.2 | ||||
| 658 | T | 25.5 | Very low | 25.1 | Very low | 109 Ų | 109 | 143.4 Ų | 143.4 | 67% | 0.669 | 71% | 0.708 | S | S | * | * | trans | 46.6 | 117.3 | 149.2 | 54.5 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 659 | N | 24.4 | Very low | 25.4 | Very low | 136 Ų | 136 | 145.1 Ų | 145.1 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | 93.1 | 152.1 | 117.9 | -65.5 | 10.3 | 0 | 0 | 0 | 123 | |||||
| 660 | D | 26.5 | Very low | 25.7 | Very low | 127 Ų | 127 | 144 Ų | 144 | 68% | 0.679 | 71% | 0.709 | S | S | * | * | trans | 65.2 | 125.5 | 164.3 | -51.1 | -27.7 | 0 | 0 | 0 | 117.8 | ||||
| 661 | Q | 24.4 | Very low | 25.9 | Very low | 162 Ų | 162 | 144 Ų | 144 | 76% | 0.757 | 71% | 0.71 | S | S | * | * | 67.2 | 135.7 | 51.3 | -56.6 | -172.4 | 31.6 | 0 | 0 | 111.2 | |||||
| 662 | I | 28.5 | Very low | 25.9 | Very low | 149 Ų | 149 | 141.4 Ų | 141.4 | 76% | 0.764 | 71% | 0.711 | S | S | * | * | cis | -154.6 | -173.7 | 39.7 | -127.9 | 135.3 | 0 | 0 | 0 | 113.3 | ||||
| 663 | E | 26.4 | Very low | 25.9 | Very low | 134 Ų | 134 | 143.3 Ų | 143.3 | 63% | 0.626 | 71% | 0.713 | S | S | * | * | trans | -67.5 | 165.6 | -164.4 | -34.1 | 176.2 | 97.5 | 0 | 0 | 121.5 | ||||
| 664 | K | 26.5 | Very low | 26 | Very low | 152 Ų | 152 | 142.4 Ų | 142.4 | 66% | 0.661 | 72% | 0.716 | S | S | * | * | trans | 84.8 | 127.9 | 131 | -84.9 | 163.4 | -168 | 158.4 | 0 | 125.1 | ||||
| 665 | L | 25 | Very low | 25.8 | Very low | 146 Ų | 146 | 138.4 Ų | 138.4 | 76% | 0.764 | 71% | 0.71 | S | S | * | * | trans | 94.9 | 136 | 131 | -73.1 | 166.1 | 0 | 0 | 0 | 123.8 | ||||
| 666 | N | 27.4 | Very low | 25.7 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 66% | 0.658 | 71% | 0.714 | S | S | * | * | trans | 82.9 | 100.1 | 153.2 | -64.9 | 17.8 | 0 | 0 | 0 | 123.7 | ||||
| 667 | D | 24.6 | Very low | 25.7 | Very low | 130 Ų | 130 | 138 Ų | 138 | 70% | 0.695 | 72% | 0.716 | S | S | * | * | 78.4 | 141.6 | 118.2 | -54.8 | -32.4 | 0 | 0 | 0 | 126.5 | |||||
| 668 | H | 29.3 | Very low | 25.7 | Very low | 160 Ų | 160 | 136.1 Ų | 136.1 | 74% | 0.741 | 72% | 0.72 | S | S | * | * | trans | 91 | 106.3 | 153.7 | -69.6 | -48 | 0 | 0 | 0 | 124.3 | ||||
| 669 | H | 29.2 | Very low | 25.7 | Very low | 146 Ų | 146 | 134.5 Ų | 134.5 | 68% | 0.676 | 73% | 0.725 | S | S | * | * | trans | 73 | 126.3 | 131.2 | -74.3 | -64.2 | 0 | 0 | 0 | 125.9 | ||||
| 670 | H | 30.4 | Very low | 25.9 | Very low | 142 Ų | 142 | 133.6 Ų | 133.6 | 66% | 0.657 | 73% | 0.726 | S | S | * | * | trans | 68 | 99.6 | 141.5 | -71.2 | -60.3 | 0 | 0 | 0 | 122.8 | ||||
| 671 | D | 25.1 | Very low | 25.8 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 68% | 0.679 | 73% | 0.731 | S | S | * | * | 53.8 | 113.6 | 121 | -49.7 | -24.7 | 0 | 0 | 0 | 121.3 | |||||
| 672 | N | 24.4 | Very low | 25.7 | Very low | 151 Ų | 151 | 132.5 Ų | 132.5 | 81% | 0.807 | 73% | 0.729 | S | S | * | * | -168.7 | 133.6 | 116 | -104.8 | -70.3 | 0 | 0 | 0 | 113.1 | |||||
| 673 | N | 21.5 | Very low | 25.5 | Very low | 150 Ų | 150 | 130.5 Ų | 130.5 | 80% | 0.802 | 72% | 0.724 | S | S | * | * | trans | 60.6 | 138.3 | 165 | -78.6 | -26.4 | 0 | 0 | 0 | 121.9 | ||||
| 674 | S | 23.4 | Very low | 25.3 | Very low | 103 Ų | 103 | 129.8 Ų | 129.8 | 72% | 0.72 | 72% | 0.724 | S | S | * | * | trans | 83 | 135.3 | 151.8 | 82.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 675 | I | 23.7 | Very low | 25.1 | Very low | 143 Ų | 143 | 132.3 Ų | 132.3 | 73% | 0.733 | 73% | 0.73 | S | S | * | * | 47.4 | 105.4 | 126.2 | -57.8 | 175.1 | 0 | 0 | 0 | 118.7 | |||||
| 676 | I | 24.1 | Very low | 25 | Very low | 147 Ų | 147 | 132.4 Ų | 132.4 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | trans | 66.5 | 137.1 | 142.1 | -62 | 174 | 0 | 0 | 0 | 119.1 | ||||
| 677 | S | 23.7 | Very low | 24.7 | Very low | 107 Ų | 107 | 133.4 Ų | 133.4 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | trans | 73.6 | 140.8 | 163.8 | 67.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 678 | S | 24.9 | Very low | 25 | Very low | 114 Ų | 114 | 132.3 Ų | 132.3 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | cis | -168.4 | 144.7 | -13.8 | 46 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 679 | G | 25.8 | Very low | 24.6 | Very low | 75 Ų | 75 | 131.5 Ų | 131.5 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | trans | 84.1 | -173.6 | 153.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 680 | P | 29.1 | Very low | 24.3 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 76% | 0.76 | 74% | 0.736 | S | S | * | * | cis | -123.1 | -172.2 | 10.2 | 38.3 | -22.2 | 0 | 0 | 0 | 115.2 | ||||
| 681 | L | 24.5 | Very low | 23.9 | Very low | 150 Ų | 150 | 127.7 Ų | 127.7 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | trans | 91.3 | 122.8 | 165.2 | -57 | 165 | 0 | 0 | 0 | 116.9 | ||||
| 682 | V | 23.3 | Very low | 24 | Very low | 117 Ų | 117 | 126.9 Ų | 126.9 | 71% | 0.709 | 73% | 0.734 | S | S | * | * | cis | 76.7 | 115.6 | 27.9 | -176.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 683 | T | 22.4 | Very low | 24 | Very low | 106 Ų | 106 | 125.5 Ų | 125.5 | 65% | 0.65 | 73% | 0.726 | S | S | * | * | cis | -167.4 | 170.2 | 9.2 | 13.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 684 | N | 22.8 | Very low | 24.4 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 64% | 0.642 | 72% | 0.721 | S | S | * | * | trans | 51.7 | 125.1 | 137 | -69 | -30.9 | 0 | 0 | 0 | 122.7 | ||||
| 685 | R | 22.2 | Very low | 24.6 | Very low | 205 Ų | 205 | 127.2 Ų | 127.2 | 77% | 0.774 | 72% | 0.722 | S | S | * | * | 75.2 | 148.5 | 123.3 | -70.1 | 177.7 | 177.3 | -174.4 | -2.1 | 121.5 | |||||
| 686 | M | 23.6 | Very low | 24.6 | Very low | 147 Ų | 147 | 127.3 Ų | 127.3 | 72% | 0.724 | 72% | 0.724 | S | S | * | * | trans | 75.8 | 95.8 | 141.7 | -80.3 | 163.7 | 164.2 | 0 | 0 | 119.7 | ||||
| 687 | N | 20.7 | Very low | 24.6 | Very low | 145 Ų | 145 | 125.7 Ų | 125.7 | 78% | 0.775 | 72% | 0.715 | S | S | * | * | trans | 68.3 | -178.3 | 135.3 | -48.9 | -10.6 | 0 | 0 | 0 | 114 | ||||
| 688 | P | 29.9 | Very low | 24.9 | Very low | 106 Ų | 106 | 127 Ų | 127 | 69% | 0.688 | 71% | 0.714 | S | S | * | * | -136.3 | -167.3 | -104.4 | 37.9 | -15.7 | 0 | 0 | 0 | 114 | |||||
| 689 | I | 21.4 | Very low | 24.9 | Very low | 144 Ų | 144 | 126.9 Ų | 126.9 | 74% | 0.738 | 70% | 0.704 | S | S | * | * | trans | 76.7 | 150.5 | 161.6 | -62.9 | 161.9 | 0 | 0 | 0 | 115.2 | ||||
| 690 | T | 23.7 | Very low | 25 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 73% | 0.73 | 70% | 0.703 | S | S | * | * | trans | 58.2 | 103.7 | 173.2 | 41.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 691 | S | 22.4 | Very low | 24.9 | Very low | 88 Ų | 88 | 129.4 Ų | 129.4 | 62% | 0.615 | 70% | 0.698 | S | S | * | * | 85.9 | 158.1 | 55.7 | 75 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 692 | T | 25.4 | Very low | 25.1 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 68% | 0.681 | 69% | 0.694 | S | S | * | * | trans | 61.6 | 130.9 | 158.3 | 52.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 693 | D | 25.5 | Very low | 25 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 65% | 0.652 | 70% | 0.697 | S | S | * | * | cis | -167.9 | 168.9 | 1.9 | -110.6 | -22.1 | 0 | 0 | 0 | 111.2 | ||||
| 694 | H | 28.8 | Very low | 25.1 | Very low | 150 Ų | 150 | 133.8 Ų | 133.8 | 69% | 0.694 | 70% | 0.704 | S | S | * | * | trans | 58.6 | 136.6 | 159.5 | -65.4 | -62.9 | 0 | 0 | 0 | 119.1 | ||||
| 695 | D | 27.9 | Very low | 25.1 | Very low | 138 Ų | 138 | 134.4 Ų | 134.4 | 74% | 0.738 | 71% | 0.712 | S | S | * | * | cis | -138.2 | 120.3 | 1.2 | -108.7 | -32.2 | 0 | 0 | 0 | 114.4 | ||||
| 696 | L | 24.1 | Very low | 25.1 | Very low | 146 Ų | 146 | 130.5 Ų | 130.5 | 76% | 0.764 | 72% | 0.716 | S | S | * | * | trans | -63.6 | -179.9 | 145.2 | -63.5 | 144.6 | 0 | 0 | 0 | 108.2 | ||||
| 697 | I | 24.9 | Very low | 25.1 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 58% | 0.579 | 72% | 0.719 | S | S | * | * | cis | -165.4 | 155.2 | 20 | -147 | 153.5 | 0 | 0 | 0 | 109.2 | ||||
| 698 | N | 28.5 | Very low | 25.2 | Very low | 135 Ų | 135 | 134.5 Ų | 134.5 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | trans | 165.5 | 114.3 | 133 | -88.2 | -54.1 | 0 | 0 | 0 | 109.2 | ||||
| 699 | N | 25.3 | Very low | 24.9 | Very low | 111 Ų | 111 | 133.7 Ų | 133.7 | 59% | 0.594 | 72% | 0.722 | S | S | * | * | 60.9 | 119.1 | 70.5 | -54.2 | -33.2 | 0 | 0 | 0 | 110.2 | |||||
| 700 | T | 28.8 | Very low | 24.9 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | cis | -157.9 | 170.7 | 25.2 | 51.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 701 | N | 26.8 | Very low | 24.9 | Very low | 122 Ų | 122 | 137.5 Ų | 137.5 | 65% | 0.652 | 74% | 0.735 | S | S | * | * | cis | -164.4 | 171 | -16.8 | -102.4 | 16.1 | 0 | 0 | 0 | 108.2 | ||||
| 702 | H | 28.2 | Very low | 24.9 | Very low | 151 Ų | 151 | 139.9 Ų | 139.9 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | trans | 66 | 109.9 | 172.1 | -65.1 | -73 | 0 | 0 | 0 | 115.6 | ||||
| 703 | E | 22 | Very low | 24.9 | Very low | 167 Ų | 167 | 141.9 Ų | 141.9 | 78% | 0.78 | 75% | 0.746 | S | S | * | * | 66.4 | 83.9 | 88 | -69.7 | 179.8 | 140.6 | 0 | 0 | 113.6 | |||||
| 704 | D | 23.8 | Very low | 24.8 | Very low | 148 Ų | 148 | 143.8 Ų | 143.8 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | -170.5 | 147 | 106.9 | -114.8 | -28.9 | 0 | 0 | 0 | 114.2 | |||||
| 705 | T | 22.4 | Very low | 24.5 | Very low | 132 Ų | 132 | 141.4 Ų | 141.4 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | trans | 36.7 | 98.5 | 163.4 | 58.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 706 | S | 22.8 | Very low | 24.3 | Very low | 123 Ų | 123 | 142.2 Ų | 142.2 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | trans | -137 | 104.4 | 153.2 | 51.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 707 | Q | 23.9 | Very low | 24.2 | Very low | 166 Ų | 166 | 141.4 Ų | 141.4 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | -99.8 | 129.4 | 161.2 | -68.9 | -170.5 | -57.8 | 0 | 0 | 108.4 | T709 | Q707-T709 HydrophobicContact CB-CG2 4Å; Q707-T709 PolarHBondContact O-N 3.35Å | ||
| 708 | E | 22.5 | Very low | 24.1 | Very low | 210 Ų | 210 | 144.2 Ų | 144.2 | 98% | 0.981 | 78% | 0.775 | S | S | * | * | trans | -76 | 63.4 | 164.9 | -66.9 | -171.2 | 139.1 | 0 | 0 | 110 | ||||
| 709 | T | 23.1 | Very low | 23.9 | Very low | 89 Ų | 89 | 145.6 Ų | 145.6 | 55% | 0.546 | 78% | 0.782 | S | S | . | * | trans | -83.1 | 137.4 | 170.9 | 39.3 | 0 | 0 | 0 | 0 | 110.6 | Q707 V711 | Q707-T709 HydrophobicContact CB-CG2 4Å; Q707-T709 PolarHBondContact O-N 3.35Å; T709-V711 PolarHBondContact O-N 2.97Å | ||
| 710 | F | 22 | Very low | 23.7 | Very low | 202 Ų | 202 | 146.8 Ų | 146.8 | 89% | 0.886 | 79% | 0.788 | S | S | * | * | trans | -36.4 | 109.3 | 167.4 | -83 | -110.3 | 0 | 0 | 0 | 112.2 | I712 | F710-I712 PolarHBondContact O-N 2.89Š| ||
| 711 | V | 23.4 | Very low | 23.4 | Very low | 142 Ų | 142 | 146.6 Ų | 146.6 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | -78.1 | 111.6 | 167.5 | 178.6 | 0 | 0 | 0 | 0 | 107.5 | T709 | T709-V711 PolarHBondContact O-N 2.97Š| ||
| 712 | I | 23.6 | Very low | 23.3 | Very low | 137 Ų | 137 | 147.7 Ų | 147.7 | 70% | 0.703 | 79% | 0.787 | S | S | * | * | trans | -81.7 | 133 | 174.7 | -65.6 | 168.7 | 0 | 0 | 0 | 108 | F710 D714 | F710-I712 PolarHBondContact O-N 2.89Å; I712-D714 PolarHBondContact O-N 3.5Å | ||
| 713 | D | 25.6 | Very low | 22.9 | Very low | 154 Ų | 154 | 147.6 Ų | 147.6 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | -72.4 | 112.2 | 170.6 | -106.4 | -36.9 | 0 | 0 | 0 | 110.3 | S715 | D713-S715 PolarHBondContact O-N 3.44Å; D713-S715 VanDerWaalsContact O-N 3.08Å | ||
| 714 | D | 22.3 | Very low | 23 | Very low | 162 Ų | 162 | 146.6 Ų | 146.6 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | trans | -71.9 | 97.9 | -175.9 | -105.2 | -36.7 | 0 | 0 | 0 | 112.3 | I712 | I712-D714 PolarHBondContact O-N 3.5Š| ||
| 715 | S | 22 | Very low | 22.9 | Very low | 100 Ų | 100 | 147.2 Ų | 147.2 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | -154.8 | 37.4 | 170.2 | 55 | 0 | 0 | 0 | 0 | 115.7 | D713 | D713-S715 PolarHBondContact O-N 3.44Å; D713-S715 VanDerWaalsContact O-N 3.08Å | ||
| 716 | N | 24.2 | Very low | 22.8 | Very low | 154 Ų | 154 | 145.7 Ų | 145.7 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | -144.5 | 85.2 | 168.5 | -94 | -65.2 | 0 | 0 | 0 | 113.7 | K718 | N716-K718 VanDerWaalsContact C-N 3.26Å; N716-K718 PolarHBondContact O-N 2.78Å | ||
| 717 | S | 22.8 | Very low | 22.8 | Very low | 130 Ų | 130 | 146.6 Ų | 146.6 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | trans | -79.5 | 67.3 | 169.7 | 48.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 718 | K | 22 | Very low | 22.7 | Very low | 171 Ų | 171 | 148 Ų | 148 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | trans | -128.5 | 107.3 | 155.2 | -86.9 | -160 | 171.7 | -163 | 0 | 108.8 | N716 | N716-K718 VanDerWaalsContact C-N 3.26Å; N716-K718 PolarHBondContact O-N 2.78Å | ||
| 719 | L | 23.3 | Very low | 22.7 | Very low | 165 Ų | 165 | 144.1 Ų | 144.1 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | trans | -143.3 | 100.8 | 179.8 | -135 | 166.6 | 0 | 0 | 0 | 107.5 | ||||
| 720 | D | 22.4 | Very low | 22.6 | Very low | 135 Ų | 135 | 145.9 Ų | 145.9 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | -74.8 | 147.5 | -172.6 | -58.7 | -30.3 | 0 | 0 | 0 | 112 | I722 | D720-I722 PolarHBondContact O-N 2.58Š| ||
| 721 | D | 22.6 | Very low | 22.7 | Very low | 119 Ų | 119 | 142.5 Ų | 142.5 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | trans | 17.8 | 90 | 151.8 | -72.4 | 2.3 | 0 | 0 | 0 | 118.3 | R269 | R269-D721 IonicContact NE-OD2 2.7Å; R269-D721 PolarHBondContact NE-OD2 3.19Å | ||
| 722 | I | 24 | Very low | 22.7 | Very low | 145 Ų | 145 | 141.7 Ų | 141.7 | 74% | 0.744 | 74% | 0.743 | S | S | * | * | trans | -104.7 | 122.2 | 146 | -65.8 | -176.1 | 0 | 0 | 0 | 109.8 | D720 I724 | D720-I722 PolarHBondContact O-N 2.58Å; I722-I724 PolarHBondContact O-N 3.38Å; I722-I724 VanDerWaalsContact O-N 3.1Å | ||
| 723 | E | 20.6 | Very low | 22.7 | Very low | 148 Ų | 148 | 139 Ų | 139 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | trans | -69.9 | 96 | -172.7 | -158.2 | 162.9 | -99.9 | 0 | 0 | 111.6 | R269 | R269-E723 IonicContact CZ-OE1 2.72Å; R269-E723 IonicContact NH1-OE1 3.58Å; R269-E723 IonicContact NH2-OE1 3.57Å; R269-E723 PolarHBondContact NH2-OE1 3.29Å | ||
| 724 | I | 23.7 | Very low | 22.6 | Very low | 147 Ų | 147 | 136.5 Ų | 136.5 | 75% | 0.754 | 71% | 0.714 | S | S | * | * | trans | -111.5 | 97.7 | 171.1 | -59 | -175.7 | 0 | 0 | 0 | 110.1 | I722 S726 | I722-I724 PolarHBondContact O-N 3.38Å; I722-I724 VanDerWaalsContact O-N 3.1Å; I724-S726 PolarHBondContact O-N 3.07Å | ||
| 725 | Q | 20.5 | Very low | 23 | Very low | 160 Ų | 160 | 133.8 Ų | 133.8 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | trans | -66.9 | 126.8 | 168.7 | -71.7 | -177.8 | -20.9 | 0 | 0 | 111.4 | ||||
| 726 | S | 21.6 | Very low | 23 | Very low | 101 Ų | 101 | 134.1 Ų | 134.1 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | trans | 67.9 | 150.9 | 165.6 | 80.7 | 0 | 0 | 0 | 0 | 115 | I724 | I724-S726 PolarHBondContact O-N 3.07Š| ||
| 727 | I | 23.2 | Very low | 23.1 | Very low | 141 Ų | 141 | 134.5 Ų | 134.5 | 72% | 0.723 | 70% | 0.701 | S | S | * | * | cis | -140.5 | 127.1 | 48.1 | -73.3 | 168.7 | 0 | 0 | 0 | 111.9 | T729 | I727-T729 HydrophobicContact CG2-CG2 3.92Š| ||
| 728 | R | 20.9 | Very low | 23.1 | Very low | 197 Ų | 197 | 135.4 Ų | 135.4 | 74% | 0.743 | 70% | 0.696 | S | S | * | * | trans | -71.1 | 133.4 | 155.1 | -85.3 | 180 | 170.3 | 153.3 | -6.3 | 109 | ||||
| 729 | T | 22.9 | Very low | 23.4 | Very low | 128 Ų | 128 | 134 Ų | 134 | 79% | 0.785 | 70% | 0.701 | S | S | * | * | trans | -146.2 | 119.2 | 149.8 | 53.1 | 0 | 0 | 0 | 0 | 109.6 | I727 | I727-T729 HydrophobicContact CG2-CG2 3.92Š| ||
| 730 | D | 21.8 | Very low | 23.3 | Very low | 126 Ų | 126 | 133.8 Ų | 133.8 | 67% | 0.674 | 70% | 0.701 | S | S | * | * | trans | -91.1 | 156.1 | -178.6 | -60 | -76.2 | 0 | 0 | 0 | 113 | ||||
| 731 | E | 24 | Very low | 23.7 | Very low | 131 Ų | 131 | 133 Ų | 133 | 61% | 0.612 | 70% | 0.704 | S | S | * | * | trans | 57.2 | 126.9 | 158.6 | -40.3 | -140.9 | 96.5 | 0 | 0 | 119.2 | R4 | R4-E731 IonicContact CZ-OE1 2.75Å; R4-E731 VanDerWaalsContact CZ-OE1 3.29Å; R4-E731 IonicContact NH1-OE1 2.66Å; R4-E731 PolarHBondContact NH1-OE1 2.94Å; R4-E731 IonicContact NH2-OE1 2.75Å; R4-E731 PolarHBondContact NH2-OE1 3.41Å | ||
| 732 | I | 22.8 | Very low | 23.8 | Very low | 124 Ų | 124 | 131.3 Ų | 131.3 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | -177.5 | 147.8 | 88.5 | -89.3 | 168.4 | 0 | 0 | 0 | 107.2 | M1 | M1-I732 PolarHBondContact N-O 2.81Å; M1-I732 VanDerWaalsContact N-O 3.15Å | |||
| 733 | N | 22.9 | Very low | 23.8 | Very low | 81 Ų | 81 | 133.7 Ų | 133.7 | 43% | 0.433 | 71% | 0.706 | S | S | . | * | cis | -147.4 | -172.5 | -13.8 | -138.2 | 73.1 | 0 | 0 | 0 | 109.4 | M1 | M1-N733 HydrophobicContact CE-CB 4.39Å; M1-N733 WeakPolarHBondContact CE-O 3.37Å | ||
| 734 | Q | 24 | Very low | 24 | Very low | 101 Ų | 101 | 132.7 Ų | 132.7 | 47% | 0.472 | 71% | 0.706 | S | S | . | * | trans | -106.1 | 160.6 | 154.3 | -102.9 | 163.4 | -63.1 | 0 | 0 | 109.4 | D736 | Q734-D736 VanDerWaalsContact CG-OD1 3.26Å; Q734-D736 WeakPolarHBondContact CG-OD1 3.36Å; Q734-D736 PolarHBondContact NE2-OD1 3.13Å | ||
| 735 | P | 30.7 | Very low | 24.1 | Very low | 106 Ų | 106 | 131.8 Ų | 131.8 | 69% | 0.688 | 70% | 0.701 | S | S | * | * | cis | -125.2 | -165 | 49.6 | 18.6 | 5.7 | 0 | 0 | 0 | 115 | ||||
| 736 | D | 23.1 | Very low | 24.3 | Very low | 107 Ų | 107 | 130.3 Ų | 130.3 | 57% | 0.572 | 70% | 0.698 | S | S | * | * | -178.1 | -155 | -52.3 | -78.5 | -30.7 | 0 | 0 | 0 | 108.5 | Q734 | Q734-D736 VanDerWaalsContact CG-OD1 3.26Å; Q734-D736 WeakPolarHBondContact CG-OD1 3.36Å; Q734-D736 PolarHBondContact NE2-OD1 3.13Å | |||
| 737 | D | 26.2 | Very low | 24.6 | Very low | 161 Ų | 161 | 131.5 Ų | 131.5 | 86% | 0.861 | 70% | 0.697 | S | S | * | * | trans | 77.6 | 151.8 | 179.4 | -79 | -29.4 | 0 | 0 | 0 | 120.6 | ||||
| 738 | N | 22.6 | Very low | 24.9 | Very low | 149 Ų | 149 | 131.6 Ų | 131.6 | 80% | 0.797 | 70% | 0.698 | S | S | * | * | trans | -131.6 | 148.6 | -159 | -54.1 | -90.3 | 0 | 0 | 0 | 113.5 | ||||
| 739 | T | 27.1 | Very low | 25.2 | Very low | 141 Ų | 141 | 128.7 Ų | 128.7 | 87% | 0.865 | 70% | 0.697 | S | S | * | * | trans | -168 | 126.1 | 138.9 | 29.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 740 | N | 22.7 | Very low | 25.3 | Very low | 161 Ų | 161 | 126.2 Ų | 126.2 | 86% | 0.861 | 69% | 0.69 | S | S | * | * | trans | -109.2 | 166 | 149.8 | -84.5 | -17.7 | 0 | 0 | 0 | 106.4 | ||||
| 741 | P | 30.7 | Very low | 25.4 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 77% | 0.773 | 70% | 0.699 | S | S | * | * | cis | -140 | -162.9 | 29.7 | 48.9 | -30.3 | 0 | 0 | 0 | 112.1 | ||||
| 742 | S | 24.1 | Very low | 25.5 | Very low | 84 Ų | 84 | 127.6 Ų | 127.6 | 59% | 0.587 | 71% | 0.712 | S | S | * | * | cis | -173.5 | 164.1 | -25 | 42.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 743 | F | 23.3 | Very low | 25.8 | Very low | 194 Ų | 194 | 126.5 Ų | 126.5 | 85% | 0.851 | 72% | 0.721 | S | S | * | * | trans | 68.8 | 164.5 | 168.2 | -62.8 | -85.9 | 0 | 0 | 0 | 118.5 | ||||
| 744 | N | 25.1 | Very low | 26 | Very low | 128 Ų | 128 | 133.6 Ų | 133.6 | 68% | 0.684 | 74% | 0.741 | S | S | * | * | cis | -177.9 | 163.3 | -43.4 | -170 | 22.2 | 0 | 0 | 0 | 110.1 | ||||
| 745 | I | 26 | Very low | 26.1 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 66% | 0.656 | 76% | 0.757 | S | S | * | * | trans | 113 | 108.1 | 149 | -64.1 | -175.4 | 0 | 0 | 0 | 118.1 | ||||
| 746 | N | 25.2 | Very low | 26 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 68% | 0.684 | 76% | 0.76 | S | S | * | * | trans | 57.1 | 154.5 | 139.3 | -61.6 | 41.9 | 0 | 0 | 0 | 120.6 | ||||
| 747 | D | 28.5 | Very low | 26.3 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 67% | 0.674 | 77% | 0.765 | S | S | * | * | cis | -163.4 | 173.4 | -7.4 | -126.5 | -40.8 | 0 | 0 | 0 | 113.4 | ||||
| 748 | L | 28.9 | Very low | 26.4 | Very low | 144 Ų | 144 | 137.3 Ų | 137.3 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | trans | 64.7 | 143.6 | 163.9 | -59.5 | 151 | 0 | 0 | 0 | 117.2 | ||||
| 749 | N | 27.4 | Very low | 26.6 | Very low | 135 Ų | 135 | 136.1 Ų | 136.1 | 72% | 0.722 | 74% | 0.744 | S | S | * | * | cis | -136.7 | 146.6 | -8.8 | -91.9 | -45.4 | 0 | 0 | 0 | 106.7 | ||||
| 750 | A | 24.5 | Very low | 26.9 | Very low | 76 Ų | 76 | 135.1 Ų | 135.1 | 63% | 0.628 | 73% | 0.732 | S | S | * | * | cis | 75.7 | 79.8 | 40.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 751 | N | 24.4 | Very low | 27.2 | Very low | 161 Ų | 161 | 134.1 Ų | 134.1 | 86% | 0.861 | 72% | 0.72 | S | S | * | * | trans | -173.9 | 173.8 | 138.1 | -97.3 | -38.6 | 0 | 0 | 0 | 112.5 | ||||
| 752 | S | 25.9 | Very low | 26.9 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 88% | 0.881 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 64 | 38.1 | 172.2 | 74.6 | 0 | 0 | 0 | 0 | 120.8 | ||
| 753 | A | 29.7 | Very low | 27.1 | Very low | 100 Ų | 100 | 134.9 Ų | 134.9 | 83% | 0.826 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -138.9 | 11.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 754 | R | 26.1 | Very low | 27.3 | Very low | 231 Ų | 231 | 135.7 Ų | 135.7 | 87% | 0.872 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -116.3 | 1.6 | -171.9 | -96.3 | -176.8 | 175.3 | 169.6 | -0.7 | 117.3 | ||
| 755 | S | 26.5 | Very low | 27.3 | Very low | 113 Ų | 113 | 137 Ų | 137 | 79% | 0.79 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -100.9 | 8.7 | -164 | -159 | 0 | 0 | 0 | 0 | 117.2 | ||
| 756 | Y | 27.5 | Very low | 27.2 | Very low | 191 Ų | 191 | 140.5 Ų | 140.5 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -117.2 | -39.5 | 179.7 | -143.4 | -104 | 0 | 0 | 0 | 113.8 | E758 | Y756-E758 VanDerWaalsContact C-N 3.34Å; Y756-E758 PolarHBondContact O-N 3.23Å |
| 757 | N | 29.3 | Very low | 27.3 | Very low | 129 Ų | 129 | 144 Ų | 144 | 69% | 0.69 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | 2.7 | -178.3 | -77.2 | -25.8 | 0 | 0 | 0 | 115.7 | K761 | N757-K761 WeakPolarHBondContact O-CE 3.44Š|
| 758 | E | 29.2 | Very low | 27 | Very low | 119 Ų | 119 | 142.9 Ų | 142.9 | 56% | 0.556 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -28.5 | 170.3 | -72.1 | -68.1 | 101.2 | 0 | 0 | 112.2 | Y756 I760 K761 | Y756-E758 VanDerWaalsContact C-N 3.34Å; Y756-E758 PolarHBondContact O-N 3.23Å; E758-I760 VanDerWaalsContact C-N 3.33Å; E758-I760 PolarHBondContact O-N 3.02Å; E758-K761 PolarHBondContact O-N 3.35Å; E758-K761 IonicContact OE1-NZ 3.31Å; E758-K761 PolarHBondContact OE1-NZ 2.86Å |
| 759 | L | 27.4 | Very low | 26.7 | Very low | 125 Ų | 125 | 143.4 Ų | 143.4 | 65% | 0.654 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -25.6 | -175 | -150.2 | 82.6 | 0 | 0 | 0 | 113.6 | S762 | L759-S762 PolarHBondContact O-OG 3.36Å; L759-S762 VanDerWaalsContact O-OG 3.06Å |
| 760 | I | 32.9 | Very low | 26.6 | Very low | 119 Ų | 119 | 145.2 Ų | 145.2 | 61% | 0.61 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -17.7 | 177.6 | -66.7 | 177 | 0 | 0 | 0 | 111.7 | E758 | E758-I760 VanDerWaalsContact C-N 3.33Å; E758-I760 PolarHBondContact O-N 3.02Å |
| 761 | K | 28 | Very low | 26.5 | Very low | 141 Ų | 141 | 149.7 Ų | 149.7 | 61% | 0.613 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -15.6 | 177.2 | -69.5 | 176.3 | -166.3 | 152.9 | 0 | 114.2 | N757 E758 | N757-K761 WeakPolarHBondContact O-CE 3.44Å; E758-K761 PolarHBondContact O-N 3.35Å; E758-K761 IonicContact OE1-NZ 3.31Å; E758-K761 PolarHBondContact OE1-NZ 2.86Å |
| 762 | S | 24.9 | Very low | 26.4 | Very low | 87 Ų | 87 | 151.7 Ų | 151.7 | 61% | 0.608 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -5.6 | 179.5 | 55.9 | 0 | 0 | 0 | 0 | 114.2 | L759 | L759-S762 PolarHBondContact O-OG 3.36Å; L759-S762 VanDerWaalsContact O-OG 3.06Å |
| 763 | I | 29.7 | Very low | 26.3 | Very low | 131 Ų | 131 | 150.3 Ų | 150.3 | 67% | 0.672 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -95.2 | -23.8 | -176.8 | -64.9 | 176.5 | 0 | 0 | 0 | 112.4 | ||
| 764 | Y | 27.5 | Very low | 26.2 | Very low | 211 Ų | 211 | 150.5 Ų | 150.5 | 83% | 0.827 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -104.9 | 56.7 | 178.4 | -100.1 | -79.5 | 0 | 0 | 0 | 113.2 | ||
| 765 | N | 23.7 | Very low | 26.2 | Very low | 156 Ų | 156 | 151 Ų | 151 | 83% | 0.834 | 75% | 0.748 | S | S | * | * | trans | -164.1 | 82.1 | 158.5 | -110 | -15.1 | 0 | 0 | 0 | 111.9 | ||||
| 766 | K | 24.6 | Very low | 26.2 | Very low | 201 Ų | 201 | 151.9 Ų | 151.9 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | trans | -153.6 | 75.9 | 167.3 | -127.6 | -168.9 | -173.6 | -172 | 0 | 111.7 | ||||
| 767 | E | 26.5 | Very low | 26.1 | Very low | 202 Ų | 202 | 150.6 Ų | 150.6 | 94% | 0.944 | 76% | 0.758 | S | S | * | * | trans | -165.5 | 129.6 | 143 | -112.2 | 163.9 | -147.8 | 0 | 0 | 109.9 | ||||
| 768 | S | 22.2 | Very low | 26.5 | Very low | 103 Ų | 103 | 149.6 Ų | 149.6 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | trans | -146.9 | 138.5 | -177 | 58.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 769 | L | 23.1 | Very low | 26.8 | Very low | 154 Ų | 154 | 149.2 Ų | 149.2 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | trans | 65 | 113.3 | 174.5 | -59.3 | 147.8 | 0 | 0 | 0 | 115.3 | ||||
| 770 | L | 25.1 | Very low | 26.7 | Very low | 173 Ų | 173 | 148.9 Ų | 148.9 | 91% | 0.906 | 77% | 0.77 | S | S | * | * | -163.3 | 170.2 | 107.8 | -106.7 | 166.7 | 0 | 0 | 0 | 113.1 | |||||
| 771 | F | 21.7 | Very low | 26.5 | Very low | 170 Ų | 170 | 150 Ų | 150 | 75% | 0.746 | 78% | 0.776 | S | S | * | * | trans | -95.4 | 159.5 | -167.8 | -96.8 | -137.7 | 0 | 0 | 0 | 113.7 | ||||
| 772 | Y | 24.2 | Very low | 26.4 | Very low | 203 Ų | 203 | 152.1 Ų | 152.1 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | trans | 63.3 | 110.1 | 146.1 | -90.8 | -120 | 0 | 0 | 0 | 121.3 | ||||
| 773 | S | 22.7 | Very low | 26.3 | Very low | 98 Ų | 98 | 152.7 Ų | 152.7 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | 99 | 149 | 113.3 | 81.3 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 774 | S | 27.4 | Very low | 26 | Very low | 103 Ų | 103 | 153.5 Ų | 153.5 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | trans | 84.6 | 94.4 | 156.2 | 73.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 775 | R | 25.5 | Very low | 26 | Very low | 241 Ų | 241 | 151.5 Ų | 151.5 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | 51 | 116.9 | 127.8 | -62.8 | 178.6 | 178 | -179.2 | -0.2 | 120.3 | |||||
| 776 | C | 28.1 | Very low | 26 | Very low | 132 Ų | 132 | 150 Ų | 150 | 89% | 0.892 | 80% | 0.797 | S | S | * | * | -147.9 | 159.5 | 105.2 | -94.9 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 777 | L | 24 | Very low | 26 | Very low | 165 Ų | 165 | 148.7 Ų | 148.7 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -132.5 | 175.7 | -169.7 | -126.3 | 79.1 | 0 | 0 | 0 | 110.8 | ||||
| 778 | P | 38.5 | Very low | 25.8 | Very low | 108 Ų | 108 | 144.1 Ų | 144.1 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | -103.9 | -86.3 | -127.5 | 17.2 | 7.5 | 0 | 0 | 0 | 114.3 | |||||
| 779 | P | 34.3 | Very low | 25.8 | Very low | 111 Ų | 111 | 145 Ų | 145 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | cis | -86.6 | -162.6 | -14.4 | 15.1 | 7.6 | 0 | 0 | 0 | 111.2 | ||||
| 780 | V | 26 | Very low | 25.8 | Very low | 118 Ų | 118 | 145.1 Ų | 145.1 | 72% | 0.715 | 79% | 0.792 | S | S | * | * | cis | -166.3 | 153.1 | 48.5 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 781 | I | 28.8 | Very low | 25.7 | Very low | 143 Ų | 143 | 145.6 Ų | 145.6 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | trans | 68.3 | 84.7 | 169.1 | -73.1 | 160.5 | 0 | 0 | 0 | 117.4 | ||||
| 782 | E | 26.8 | Very low | 25.8 | Very low | 184 Ų | 184 | 142.5 Ų | 142.5 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | 52.1 | 97 | 120.2 | -62.6 | 174.7 | 162.7 | 0 | 0 | 120.2 | |||||
| 783 | A | 22.5 | Very low | 25.8 | Very low | 100 Ų | 100 | 135.9 Ų | 135.9 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | trans | -140.3 | 109.8 | 138.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 784 | L | 23.3 | Very low | 25.8 | Very low | 147 Ų | 147 | 137.2 Ų | 137.2 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | -154.6 | 112.4 | 175.5 | -109.3 | 171.5 | 0 | 0 | 0 | 110.4 | L786 | L784-L786 HydrophobicContact CD2-CD1 3.5Š| ||
| 785 | D | 27.6 | Very low | 25.6 | Very low | 169 Ų | 169 | 139 Ų | 139 | 90% | 0.904 | 75% | 0.754 | S | S | * | * | trans | -150.5 | 138.4 | 130.6 | -102.5 | -28.8 | 0 | 0 | 0 | 106.1 | ||||
| 786 | L | 24.1 | Very low | 25.4 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 65% | 0.654 | 75% | 0.746 | S | S | * | * | trans | -119.2 | 133.4 | 174.8 | -86.3 | 76.4 | 0 | 0 | 0 | 108 | L784 V788 | L784-L786 HydrophobicContact CD2-CD1 3.5Å; L786-V788 HydrophobicContact CB-CG2 4.27Å; L786-V788 HydrophobicContact CD2-CG2 3.95Å | ||
| 787 | D | 22.9 | Very low | 25.4 | Very low | 174 Ų | 174 | 135.6 Ų | 135.6 | 93% | 0.93 | 74% | 0.742 | S | S | * | * | trans | -90.2 | 122.6 | 150.5 | -73.3 | -60.1 | 0 | 0 | 0 | 108.3 | ||||
| 788 | V | 23.7 | Very low | 25.3 | Very low | 106 Ų | 106 | 134.7 Ų | 134.7 | 64% | 0.642 | 74% | 0.738 | S | S | * | * | trans | -123.6 | 111.9 | 169 | 174.6 | 0 | 0 | 0 | 0 | 106.8 | L786 | L786-V788 HydrophobicContact CB-CG2 4.27Å; L786-V788 HydrophobicContact CD2-CG2 3.95Å | ||
| 789 | S | 22.2 | Very low | 24.6 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | trans | -90.7 | 137.3 | 167.3 | -174.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 790 | L | 23.4 | Very low | 24.3 | Very low | 156 Ų | 156 | 137.1 Ų | 137.1 | 82% | 0.817 | 74% | 0.743 | S | S | * | * | trans | -126.4 | 136 | 172.2 | -93.4 | 165.3 | 0 | 0 | 0 | 109.6 | ||||
| 791 | K | 23.1 | Very low | 24.1 | Very low | 184 Ų | 184 | 140.2 Ų | 140.2 | 80% | 0.8 | 75% | 0.75 | S | S | * | * | trans | -68.2 | 166.8 | 164.6 | -71.2 | -176 | 177 | -176.1 | 0 | 109.5 | ||||
| 792 | N | 23.5 | Very low | 23.9 | Very low | 105 Ų | 105 | 140.5 Ų | 140.5 | 56% | 0.561 | 75% | 0.752 | S | S | * | * | cis | -148.5 | -162.7 | 16 | -138.9 | 17.7 | 0 | 0 | 0 | 112.4 | E893 | N792-E893 PolarHBondContact ND2-OE1 3.03Š| ||
| 793 | S | 23.4 | Very low | 23.7 | Very low | 64 Ų | 64 | 138.6 Ų | 138.6 | 45% | 0.448 | 75% | 0.747 | S | S | . | * | trans | -61.7 | 175.4 | -179.2 | 47 | 0 | 0 | 0 | 0 | 116.4 | L895 | S793-L895 WeakPolarHBondContact OG-CD1 3.13Š| ||
| 794 | Q | 22.4 | Very low | 23.8 | Very low | 125 Ų | 125 | 141 Ų | 141 | 58% | 0.584 | 75% | 0.747 | S | S | * | * | cis | -152.2 | 149.4 | 32.8 | -74 | -174.3 | -9.6 | 0 | 0 | 116.6 | E894 L895 | Q794-E894 PolarHBondContact NE2-O 3.01Å; Q794-L895 HydrophobicContact CG-CD1 4.3Å | ||
| 795 | H | 23.2 | Very low | 23.9 | Very low | 142 Ų | 142 | 140.8 Ų | 140.8 | 66% | 0.657 | 74% | 0.742 | S | S | * | * | trans | 56.5 | 140.7 | 137.2 | -79.3 | -77.9 | 0 | 0 | 0 | 127.8 | ||||
| 796 | I | 22.8 | Very low | 23.7 | Very low | 145 Ų | 145 | 142 Ų | 142 | 74% | 0.744 | 73% | 0.733 | S | S | * | * | trans | 74 | 132.2 | 146.5 | -69 | 162.9 | 0 | 0 | 0 | 115.8 | ||||
| 797 | L | 27.9 | Very low | 23.8 | Very low | 155 Ų | 155 | 144.6 Ų | 144.6 | 81% | 0.812 | 74% | 0.739 | S | S | * | * | cis | -148.6 | 150.8 | 37.9 | -146.6 | 155.7 | 0 | 0 | 0 | 112.3 | ||||
| 798 | N | 20.9 | Very low | 24 | Very low | 146 Ų | 146 | 143.2 Ų | 143.2 | 78% | 0.781 | 73% | 0.732 | S | S | * | * | trans | -83.7 | 150.9 | 176.5 | -81.1 | -31.4 | 0 | 0 | 0 | 114.2 | ||||
| 799 | I | 24.7 | Very low | 24 | Very low | 165 Ų | 165 | 147.2 Ų | 147.2 | 85% | 0.846 | 74% | 0.741 | S | S | * | * | -176.3 | 147.3 | 125.2 | -97.7 | 158.6 | 0 | 0 | 0 | 110.5 | |||||
| 800 | P | 27.4 | Very low | 24 | Very low | 105 Ų | 105 | 149.8 Ų | 149.8 | 68% | 0.682 | 74% | 0.737 | S | S | * | * | trans | -115.3 | 166.5 | -158.3 | 41.8 | -32.9 | 0 | 0 | 0 | 116.8 | ||||
| 801 | Q | 20.9 | Very low | 24 | Very low | 183 Ų | 183 | 148.6 Ų | 148.6 | 86% | 0.855 | 73% | 0.73 | S | S | * | * | trans | 55 | 130.7 | 158.8 | -69.7 | -178.1 | -8.1 | 0 | 0 | 120.4 | ||||
| 802 | I | 24.7 | Very low | 24.1 | Very low | 149 Ų | 149 | 147.5 Ų | 147.5 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | 179.4 | 133.1 | 116 | -94 | 162.1 | 0 | 0 | 0 | 111.9 | |||||
| 803 | N | 24.2 | Very low | 24 | Very low | 144 Ų | 144 | 148.7 Ų | 148.7 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | trans | 45.1 | 144.4 | 156 | -59.6 | 2.5 | 0 | 0 | 0 | 124.7 | ||||
| 804 | D | 22.7 | Very low | 24 | Very low | 152 Ų | 152 | 150 Ų | 150 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | trans | -26.6 | 141.4 | 156.1 | -59.1 | -73.3 | 0 | 0 | 0 | 116.4 | ||||
| 805 | E | 26.4 | Very low | 24 | Very low | 142 Ų | 142 | 149.1 Ų | 149.1 | 66% | 0.664 | 73% | 0.729 | S | S | * | * | -161.5 | 146.5 | 69.7 | -100.8 | -145.4 | 121.1 | 0 | 0 | 116 | |||||
| 806 | R | 23.5 | Very low | 24 | Very low | 193 Ų | 193 | 148 Ų | 148 | 73% | 0.728 | 72% | 0.724 | S | S | * | * | trans | 34 | 126.1 | 137.4 | -64.9 | -170.4 | 175.8 | 135.7 | -6.9 | 122.3 | ||||
| 807 | K | 25.6 | Very low | 23.9 | Very low | 180 Ų | 180 | 146 Ų | 146 | 78% | 0.783 | 71% | 0.711 | S | S | * | * | trans | 101.5 | 149.7 | 140.4 | -70.3 | 158.5 | 179.7 | 170 | 0 | 120.1 | ||||
| 808 | N | 27.6 | Very low | 23.7 | Very low | 146 Ų | 146 | 144.7 Ų | 144.7 | 78% | 0.781 | 71% | 0.705 | S | S | * | * | trans | 74.7 | 66 | 155 | -63.6 | -9.9 | 0 | 0 | 0 | 121 | ||||
| 809 | K | 23 | Very low | 23.8 | Very low | 190 Ų | 190 | 145.8 Ų | 145.8 | 83% | 0.826 | 71% | 0.706 | S | S | * | * | 25.4 | 117.1 | 123.2 | -78.1 | 179.4 | 176.6 | 169.5 | 0 | 119.4 | |||||
| 810 | K | 22.7 | Very low | 23.9 | Very low | 175 Ų | 175 | 147.3 Ų | 147.3 | 76% | 0.761 | 71% | 0.706 | S | S | * | * | 74.7 | 118.1 | 122.3 | -75.2 | -166.7 | 157.3 | -156.3 | 0 | 121.9 | |||||
| 811 | I | 23.6 | Very low | 23.8 | Very low | 130 Ų | 130 | 147.3 Ų | 147.3 | 67% | 0.667 | 71% | 0.709 | S | S | * | * | 73.9 | 113.3 | 127.9 | -58.5 | 169.6 | 0 | 0 | 0 | 117.7 | |||||
| 812 | L | 24.4 | Very low | 23.9 | Very low | 161 Ų | 161 | 142.8 Ų | 142.8 | 84% | 0.843 | 70% | 0.697 | S | S | * | * | -142.3 | 160.7 | 113.1 | -143.9 | 77.8 | 0 | 0 | 0 | 110.5 | |||||
| 813 | L | 21.3 | Very low | 24 | Very low | 131 Ų | 131 | 141.4 Ų | 141.4 | 69% | 0.686 | 70% | 0.698 | S | S | * | * | trans | -132.2 | 139.7 | 173.5 | -94.3 | 171.6 | 0 | 0 | 0 | 108.2 | ||||
| 814 | H | 23.2 | Very low | 24 | Very low | 92 Ų | 92 | 143.8 Ų | 143.8 | 43% | 0.426 | 70% | 0.698 | S | S | . | * | trans | 69.4 | 157.7 | 163.3 | -52.7 | -49.5 | 0 | 0 | 0 | 118 | N614 T615 | N614-H814 HydrophobicContact CB-CB 4.08Å; N614-H814 WeakPolarHBondContact CB-CD2 3.45Å; N614-H814 VanDerWaalsContact CB-CG 3.43Å; N614-H814 WeakPolarHBondContact CB-NE2 3.21Å; N614-H814 PolarHBondContact ND2-CE1 2.71Å; N614-H814 PolarHBondContact ND2-NE2 3.38Å; T615-H814 PolarHBondContact OG1-CD2 2.89Å | ||
| 815 | Y | 23.9 | Very low | 24 | Very low | 106 Ų | 106 | 140.4 Ų | 140.4 | 42% | 0.416 | 69% | 0.686 | S | S | . | * | cis | -141.5 | 162.8 | -8.1 | -143.5 | -131.6 | 0 | 0 | 0 | 107 | P613 N614 | P613-Y815 VanDerWaalsContact C-CB 3.4Å; P613-Y815 WeakPolarHBondContact CA-OH 3.22Å; P613-Y815 HydrophobicContact CB-CD1 3.69Å; P613-Y815 HydrophobicContact CB-CD2 2.59Å; P613-Y815 HydrophobicContact CB-CE1 3.91Å; P613-Y815 HydrophobicContact CB-CE2 2.9Å; P613-Y815 HydrophobicContact CB-CG 3.07Å; P613-Y815 HydrophobicContact CG-CD1 3.9Å; P613-Y815 HydrophobicContact CG-CD2 3.32Å; P613-Y815 HydrophobicContact CG-CE2 4.17Å; P613-Y815 HydrophobicContact CG-CG 3.17Å; P613-Y815 WeakPolarHBondContact O-CD1 3.3Å; P613-Y815 WeakPolarHBondContact O-CE1 3.11Å; P613-Y815 WeakPolarHBondContact O-CE2 3.43Å; N614-Y815 VanDerWaalsContact CA-CD2 3.41Å; N614-Y815 HydrophobicContact CB-CD2 3.31Å; N614-Y815 HydrophobicContact CB-CE2 3Å; N614-Y815 VanDerWaalsContact CG-CE2 3.45Å; N614-Y815 VanDerWaalsContact N-CZ 3.3Å | ||
| 816 | E | 22 | Very low | 23.8 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 56% | 0.556 | 69% | 0.689 | S | S | * | * | trans | 84.7 | 117.9 | 161.8 | -100.5 | 116.6 | -144 | 0 | 0 | 115.3 | ||||
| 817 | Q | 21.9 | Very low | 23.7 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 47% | 0.472 | 69% | 0.689 | S | S | . | * | 63.2 | 134.5 | 79.9 | -77.5 | -148.6 | 43.5 | 0 | 0 | 113 | S611 Q612 | S611-Q817 PolarHBondContact O-NE2 3.1Å; S611-Q817 PolarHBondContact OG-NE2 3.35Å; Q612-Q817 WeakPolarHBondContact O-CG 3.24Å; Q612-Q817 PolarHBondContact O-NE2 3.42Å | |||
| 818 | N | 23.3 | Very low | 23.6 | Very low | 128 Ų | 128 | 132.5 Ų | 132.5 | 68% | 0.684 | 68% | 0.681 | S | S | * | * | cis | -161.6 | -169.5 | -7.2 | -134.5 | -25.6 | 0 | 0 | 0 | 109.2 | ||||
| 819 | Q | 21.9 | Very low | 23.5 | Very low | 170 Ų | 170 | 133 Ų | 133 | 79% | 0.794 | 68% | 0.679 | S | S | * | * | trans | 91 | 156.9 | 162.2 | -50.3 | -172.1 | -6.5 | 0 | 0 | 118.3 | ||||
| 820 | F | 27.3 | Very low | 23.5 | Very low | 197 Ų | 197 | 131.4 Ų | 131.4 | 86% | 0.864 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 61.8 | 110 | -161.1 | -66.2 | -77.7 | 0 | 0 | 0 | 115.7 | ||
| 821 | S | 25 | Very low | 23.5 | Very low | 105 Ų | 105 | 129.5 Ų | 129.5 | 73% | 0.734 | 67% | 0.672 | S | S | * | * | cis | -163.2 | 128.8 | -15.3 | 35.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 822 | S | 23.5 | Very low | 23.5 | Very low | 87 Ų | 87 | 129 Ų | 129 | 61% | 0.608 | 67% | 0.671 | S | S | * | * | trans | -78.8 | 170.3 | 151.6 | 63 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 823 | P | 26.6 | Very low | 23.3 | Very low | 121 Ų | 121 | 127.4 Ų | 127.4 | 79% | 0.786 | 66% | 0.662 | S | S | * | * | -132.4 | 152.8 | 81.1 | 44.5 | -34.2 | 0 | 0 | 0 | 111.1 | |||||
| 824 | Y | 23.7 | Very low | 23.3 | Very low | 193 Ų | 193 | 128 Ų | 128 | 76% | 0.757 | 66% | 0.661 | S | S | * | * | 56.8 | 141.8 | 51.1 | -80.1 | -106.8 | 0 | 0 | 0 | 112.7 | |||||
| 825 | S | 22.8 | Very low | 23.2 | Very low | 81 Ų | 81 | 132.3 Ų | 132.3 | 57% | 0.566 | 67% | 0.674 | S | S | * | * | cis | 177.2 | 168.7 | -14.1 | 51 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 826 | I | 22.7 | Very low | 23 | Very low | 144 Ų | 144 | 132.9 Ų | 132.9 | 74% | 0.738 | 68% | 0.681 | S | S | * | * | trans | 67.4 | 114.7 | 145.9 | -69.8 | 155 | 0 | 0 | 0 | 118.7 | ||||
| 827 | S | 22.6 | Very low | 22.9 | Very low | 102 Ų | 102 | 134.7 Ų | 134.7 | 71% | 0.713 | 69% | 0.689 | S | S | * | * | -143 | 116.5 | 122.9 | 53.7 | 0 | 0 | 0 | 0 | 105.1 | |||||
| 828 | T | 22.4 | Very low | 23 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 63% | 0.632 | 70% | 0.697 | S | S | * | * | 51.5 | 135.8 | 94.1 | 60.1 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 829 | E | 24.8 | Very low | 22.9 | Very low | 156 Ų | 156 | 134.6 Ų | 134.6 | 73% | 0.729 | 70% | 0.699 | S | S | * | * | cis | -149 | 141 | 11.4 | -113.4 | 135 | -145.1 | 0 | 0 | 108.7 | ||||
| 830 | E | 24.6 | Very low | 23 | Very low | 158 Ų | 158 | 134.3 Ų | 134.3 | 74% | 0.738 | 70% | 0.695 | S | S | * | * | 61.8 | 133.4 | 101.3 | -69.5 | -150.9 | 140.8 | 0 | 0 | 118.6 | |||||
| 831 | L | 23.1 | Very low | 22.8 | Very low | 134 Ų | 134 | 132.5 Ų | 132.5 | 70% | 0.702 | 69% | 0.69 | S | S | * | * | trans | 56.8 | 140.8 | 142.7 | -61.4 | 168.3 | 0 | 0 | 0 | 118.7 | ||||
| 832 | N | 21.8 | Very low | 22.8 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 64% | 0.636 | 69% | 0.688 | S | S | * | * | cis | -172 | 168.4 | 26.1 | -136.3 | -24.5 | 0 | 0 | 0 | 113 | ||||
| 833 | L | 21.2 | Very low | 22.9 | Very low | 128 Ų | 128 | 136.9 Ų | 136.9 | 67% | 0.67 | 71% | 0.705 | S | S | * | * | trans | 58.1 | 131.3 | 146.6 | -75.2 | 159.7 | 0 | 0 | 0 | 124.1 | ||||
| 834 | H | 21.9 | Very low | 22.8 | Very low | 144 Ų | 144 | 134.6 Ų | 134.6 | 67% | 0.667 | 70% | 0.703 | S | S | * | * | trans | 88.8 | 116.8 | 132.8 | -88.4 | -10.1 | 0 | 0 | 0 | 124.3 | ||||
| 835 | R | 20.1 | Very low | 23 | Very low | 182 Ų | 182 | 130.7 Ų | 130.7 | 69% | 0.687 | 70% | 0.704 | S | S | * | * | 62.8 | 126.3 | 121.3 | -78 | 174.9 | 177.5 | -126.4 | 13.2 | 121.6 | |||||
| 836 | Q | 20.4 | Very low | 23.1 | Very low | 119 Ų | 119 | 130.8 Ų | 130.8 | 56% | 0.556 | 71% | 0.71 | S | S | * | * | 68.6 | 125.4 | 128.8 | -67.8 | 175.4 | -95.3 | 0 | 0 | 120 | |||||
| 837 | Q | 19.9 | Very low | 23.5 | Very low | 157 Ų | 157 | 130.9 Ų | 130.9 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | trans | 69.7 | 137 | 135.9 | -68 | 170.6 | -106.4 | 0 | 0 | 119.3 | ||||
| 838 | S | 22.8 | Very low | 23.8 | Very low | 92 Ų | 92 | 132.4 Ų | 132.4 | 64% | 0.643 | 71% | 0.708 | S | S | * | * | trans | -33.5 | 135 | 150.3 | 51.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 839 | D | 21.8 | Very low | 24.1 | Very low | 135 Ų | 135 | 134.2 Ų | 134.2 | 72% | 0.722 | 71% | 0.708 | S | S | * | * | -177.1 | 146.9 | 106 | -91.9 | -14.1 | 0 | 0 | 0 | 112.7 | |||||
| 840 | F | 23.6 | Very low | 24.2 | Very low | 164 Ų | 164 | 135 Ų | 135 | 72% | 0.719 | 71% | 0.709 | S | S | * | * | trans | 63.5 | 122.5 | 160.1 | -79.6 | -115.3 | 0 | 0 | 0 | 117.6 | ||||
| 841 | E | 24.2 | Very low | 24.1 | Very low | 159 Ų | 159 | 134 Ų | 134 | 74% | 0.743 | 71% | 0.709 | S | S | * | * | 65.2 | 140.7 | 73.7 | -67.8 | -172.6 | -166.8 | 0 | 0 | 113.3 | |||||
| 842 | S | 23.8 | Very low | 24 | Very low | 101 Ų | 101 | 131.5 Ų | 131.5 | 71% | 0.706 | 70% | 0.703 | S | S | * | * | cis | -160.6 | 135.4 | 33.6 | 37 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 843 | L | 25.5 | Very low | 24.2 | Very low | 183 Ų | 183 | 131.3 Ų | 131.3 | 96% | 0.958 | 70% | 0.702 | S | S | * | * | trans | 168.8 | 125.5 | 144.5 | -96.8 | 153.4 | 0 | 0 | 0 | 109.3 | ||||
| 844 | G | 24.8 | Very low | 24.3 | Very low | 73 Ų | 73 | 135 Ų | 135 | 75% | 0.753 | 71% | 0.707 | S | S | * | * | cis | -177.2 | 31.1 | 3.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 845 | S | 28.8 | Very low | 24.3 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 78% | 0.776 | 71% | 0.709 | S | S | * | * | trans | -161.2 | 123 | 161.6 | 57.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 846 | A | 24.5 | Very low | 24.6 | Very low | 83 Ų | 83 | 132.7 Ų | 132.7 | 69% | 0.686 | 71% | 0.712 | S | S | * | * | cis | 75.4 | 138.6 | 33.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 847 | N | 30.4 | Very low | 24.8 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 78% | 0.775 | 72% | 0.723 | S | S | * | * | trans | 76 | 137.5 | 172.5 | -54.1 | -3.3 | 0 | 0 | 0 | 116.9 | ||||
| 848 | H | 28.6 | Very low | 25 | Very low | 135 Ų | 135 | 134.2 Ų | 134.2 | 63% | 0.625 | 72% | 0.72 | S | S | * | * | cis | -169.3 | 155.3 | -26.9 | -127.3 | -68.5 | 0 | 0 | 0 | 109.6 | ||||
| 849 | H | 30.1 | Very low | 25.1 | Very low | 140 Ų | 140 | 135.7 Ų | 135.7 | 65% | 0.648 | 72% | 0.721 | S | S | * | * | trans | 64.4 | 140.6 | 149.9 | -72.1 | -47.2 | 0 | 0 | 0 | 120.8 | ||||
| 850 | F | 26.2 | Very low | 25.2 | Very low | 172 Ų | 172 | 135 Ų | 135 | 75% | 0.754 | 72% | 0.717 | S | S | * | * | cis | -170.9 | 156 | -25.3 | -136.4 | -142.1 | 0 | 0 | 0 | 110 | ||||
| 851 | D | 21.9 | Very low | 25.2 | Very low | 138 Ų | 138 | 133.8 Ų | 133.8 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | trans | -59 | 157.9 | 154.2 | -58.8 | -81.3 | 0 | 0 | 0 | 110.3 | ||||
| 852 | S | 22.1 | Very low | 25.4 | Very low | 82 Ų | 82 | 133.4 Ų | 133.4 | 57% | 0.573 | 71% | 0.711 | S | S | * | * | 160.8 | 161.5 | 76.9 | 46.1 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 853 | N | 24.5 | Very low | 25.5 | Very low | 115 Ų | 115 | 134 Ų | 134 | 62% | 0.615 | 71% | 0.707 | S | S | * | * | trans | 74.1 | 144.9 | 169.7 | -44.2 | -78.3 | 0 | 0 | 0 | 115.1 | ||||
| 854 | R | 25.1 | Very low | 25.5 | Very low | 204 Ų | 204 | 130.8 Ų | 130.8 | 77% | 0.77 | 69% | 0.69 | S | S | * | * | cis | -160.1 | -179.9 | -10.5 | -121.7 | 175.3 | -128.3 | -169.9 | 1.6 | 110.4 | ||||
| 855 | D | 21.7 | Very low | 25.5 | Very low | 133 Ų | 133 | 133.8 Ų | 133.8 | 71% | 0.711 | 69% | 0.689 | S | S | * | * | trans | -34.2 | 144.5 | 153.2 | -40.8 | -89.4 | 0 | 0 | 0 | 111.9 | ||||
| 856 | I | 25.8 | Very low | 25.5 | Very low | 146 Ų | 146 | 135.9 Ų | 135.9 | 75% | 0.749 | 69% | 0.687 | S | S | * | * | -171.5 | 129.6 | 85.7 | -91.5 | 159.8 | 0 | 0 | 0 | 108.6 | |||||
| 857 | K | 25.4 | Very low | 25.5 | Very low | 182 Ų | 182 | 137.9 Ų | 137.9 | 79% | 0.791 | 69% | 0.686 | S | S | * | * | trans | 46.7 | 149.8 | 144.6 | -60.1 | -176.3 | 172.9 | -172.5 | 0 | 120.7 | ||||
| 858 | L | 23 | Very low | 25.5 | Very low | 126 Ų | 126 | 137.5 Ų | 137.5 | 66% | 0.66 | 69% | 0.691 | S | S | * | * | cis | -167.1 | 173.4 | -11.3 | -111.5 | 174 | 0 | 0 | 0 | 107.2 | ||||
| 859 | D | 24.7 | Very low | 25.4 | Very low | 123 Ų | 123 | 137 Ų | 137 | 66% | 0.658 | 70% | 0.698 | S | S | * | * | trans | 60.8 | 114.1 | 152.3 | -55.5 | -25.3 | 0 | 0 | 0 | 119.9 | ||||
| 860 | D | 25.2 | Very low | 25.4 | Very low | 121 Ų | 121 | 138 Ų | 138 | 65% | 0.647 | 71% | 0.705 | S | S | * | * | 79.7 | 118.1 | 124.2 | -78.2 | -30.7 | 0 | 0 | 0 | 123 | |||||
| 861 | Q | 23.7 | Very low | 25.3 | Very low | 137 Ų | 137 | 136.3 Ų | 136.3 | 64% | 0.64 | 70% | 0.703 | S | S | * | * | 79 | 140.2 | 122.7 | -70.9 | 169 | 38.4 | 0 | 0 | 121.4 | |||||
| 862 | H | 26.7 | Very low | 25.6 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 70% | 0.699 | 71% | 0.709 | S | S | * | * | trans | 64 | 147.6 | 154.6 | -67 | -59.8 | 0 | 0 | 0 | 116.4 | ||||
| 863 | D | 27.5 | Very low | 25.7 | Very low | 114 Ų | 114 | 141.7 Ų | 141.7 | 61% | 0.61 | 72% | 0.716 | S | S | * | * | cis | -149.9 | 158.6 | -5.7 | -122.1 | -15.7 | 0 | 0 | 0 | 112.2 | ||||
| 864 | N | 25.5 | Very low | 25.7 | Very low | 116 Ų | 116 | 143.2 Ų | 143.2 | 62% | 0.62 | 72% | 0.723 | S | S | * | * | trans | 4.8 | 140.7 | 139.4 | -60.7 | -34.7 | 0 | 0 | 0 | 120.2 | ||||
| 865 | D | 25.2 | Very low | 25.8 | Very low | 135 Ų | 135 | 141.7 Ų | 141.7 | 72% | 0.722 | 73% | 0.725 | S | S | * | * | trans | 67.9 | 146.7 | 133.3 | -59.1 | -18.5 | 0 | 0 | 0 | 120.2 | ||||
| 866 | E | 27.4 | Very low | 25.9 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 73% | 0.729 | 72% | 0.724 | S | S | * | * | cis | -156.6 | 158.3 | 2.8 | -131.6 | -177.7 | -160.3 | 0 | 0 | 112.2 | ||||
| 867 | N | 25.8 | Very low | 25.8 | Very low | 124 Ų | 124 | 141 Ų | 141 | 66% | 0.663 | 72% | 0.722 | S | S | * | * | trans | 58.1 | 96.8 | 154.1 | -72.3 | -54.4 | 0 | 0 | 0 | 121.1 | ||||
| 868 | P | 29.2 | Very low | 25.7 | Very low | 138 Ų | 138 | 139.9 Ų | 139.9 | 90% | 0.896 | 72% | 0.724 | S | S | * | * | trans | -83.1 | 151.5 | 166.5 | 34.1 | -33.9 | 0 | 0 | 0 | 114.4 | ||||
| 869 | T | 27.7 | Very low | 25.7 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 76% | 0.761 | 73% | 0.725 | S | S | * | * | trans | -101 | 163.2 | -164.9 | 54.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 870 | M | 29.5 | Very low | 25.7 | Very low | 162 Ų | 162 | 141 Ų | 141 | 80% | 0.798 | 73% | 0.73 | S | S | * | * | trans | 68.3 | 100.6 | 142.1 | -71.4 | -85.1 | -164.1 | 0 | 0 | 121.1 | ||||
| 871 | L | 23.4 | Very low | 25.7 | Very low | 136 Ų | 136 | 140.5 Ų | 140.5 | 71% | 0.712 | 72% | 0.723 | S | S | * | * | 38 | 100.4 | 98.7 | -143 | 177.9 | 0 | 0 | 0 | 118.2 | |||||
| 872 | K | 27.8 | Very low | 25.8 | Very low | 198 Ų | 198 | 141.9 Ų | 141.9 | 86% | 0.861 | 73% | 0.727 | S | S | * | * | -172.9 | 153.5 | 126.3 | -108.3 | 176.6 | -176.9 | -179.4 | 0 | 114.7 | |||||
| 873 | D | 25.3 | Very low | 25.8 | Very low | 134 Ų | 134 | 139.1 Ų | 139.1 | 72% | 0.717 | 73% | 0.725 | S | S | * | * | trans | -94.7 | 169.9 | -172 | -43.6 | -96.3 | 0 | 0 | 0 | 115.2 | ||||
| 874 | L | 23.2 | Very low | 25.8 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 78% | 0.775 | 73% | 0.732 | S | S | * | * | trans | 85.4 | 147.5 | 137 | -92.1 | 164.8 | 0 | 0 | 0 | 121.7 | ||||
| 875 | Q | 27.7 | Very low | 25.7 | Very low | 172 Ų | 172 | 141.3 Ų | 141.3 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | trans | 72.8 | 145.5 | 166.9 | -64.4 | 169.4 | 2.7 | 0 | 0 | 117.5 | ||||
| 876 | L | 24 | Very low | 25.7 | Very low | 131 Ų | 131 | 140.4 Ų | 140.4 | 69% | 0.686 | 73% | 0.732 | S | S | * | * | cis | 161.3 | 133.2 | -30.2 | -111.6 | 158.8 | 0 | 0 | 0 | 105.8 | ||||
| 877 | N | 23.7 | Very low | 25.7 | Very low | 133 Ų | 133 | 137.3 Ų | 137.3 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | trans | 63.5 | 121 | 167.2 | -60.9 | -27.4 | 0 | 0 | 0 | 117 | ||||
| 878 | L | 23.3 | Very low | 25.6 | Very low | 158 Ų | 158 | 139.2 Ų | 139.2 | 83% | 0.827 | 72% | 0.722 | S | S | * | * | 79.7 | 138.4 | 64.5 | -88.6 | 166.5 | 0 | 0 | 0 | 115.4 | |||||
| 879 | S | 23.7 | Very low | 25.3 | Very low | 99 Ų | 99 | 138.6 Ų | 138.6 | 69% | 0.692 | 71% | 0.712 | S | S | * | * | trans | 87.5 | 116.1 | 171.8 | 86.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 880 | K | 24.1 | Very low | 25.2 | Very low | 175 Ų | 175 | 140 Ų | 140 | 76% | 0.761 | 71% | 0.71 | S | S | * | * | 97.3 | 146.5 | 75.4 | -82 | -175.1 | 168.6 | -143.1 | 0 | 110.3 | |||||
| 881 | E | 25.7 | Very low | 25.1 | Very low | 109 Ų | 109 | 140.7 Ų | 140.7 | 51% | 0.509 | 71% | 0.708 | S | S | . | * | cis | -160.7 | 152.5 | 8.5 | -127.5 | 173 | -154.1 | 0 | 0 | 112.2 | ||||
| 882 | K | 26.1 | Very low | 25.1 | Very low | 166 Ų | 166 | 142.1 Ų | 142.1 | 72% | 0.722 | 71% | 0.711 | S | S | * | * | trans | 68.6 | 153.1 | 144.1 | -78.7 | 164.4 | -168 | 160.7 | 0 | 120.4 | ||||
| 883 | S | 25.7 | Very low | 25 | Very low | 94 Ų | 94 | 139.2 Ų | 139.2 | 66% | 0.657 | 70% | 0.701 | S | S | * | * | cis | -170.5 | 151.6 | -1.5 | 40.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 884 | V | 27.1 | Very low | 24.9 | Very low | 123 Ų | 123 | 141.5 Ų | 141.5 | 75% | 0.745 | 71% | 0.707 | S | S | * | * | trans | 72 | 137.7 | 139.1 | 162 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 885 | Q | 25.3 | Very low | 24.9 | Very low | 153 Ų | 153 | 139 Ų | 139 | 72% | 0.715 | 69% | 0.694 | S | S | * | * | cis | -164.8 | -175.6 | -15.8 | -103.4 | 176.5 | -93.8 | 0 | 0 | 105.2 | ||||
| 886 | N | 24.8 | Very low | 24.7 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 62% | 0.62 | 69% | 0.692 | S | S | * | * | cis | -163.7 | -176.7 | 7.3 | -134.9 | 26.7 | 0 | 0 | 0 | 107.2 | ||||
| 887 | D | 26.2 | Very low | 24.9 | Very low | 91 Ų | 91 | 137.5 Ų | 137.5 | 49% | 0.487 | 69% | 0.691 | S | S | . | * | cis | -163.8 | 140.7 | -6.2 | -152.7 | -8.1 | 0 | 0 | 0 | 109.1 | ||||
| 888 | K | 24.5 | Very low | 24.9 | Very low | 163 Ų | 163 | 137.4 Ų | 137.4 | 71% | 0.709 | 69% | 0.69 | S | S | * | * | trans | 60.3 | 154.5 | 156.2 | -72.7 | 154 | -165.2 | 139.8 | 0 | 120.2 | ||||
| 889 | N | 23.4 | Very low | 25.2 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 67% | 0.674 | 68% | 0.68 | S | S | * | * | cis | -156.7 | 155.4 | 14.7 | -130.3 | 5.6 | 0 | 0 | 0 | 113.4 | ||||
| 890 | Q | 24.3 | Very low | 25.6 | Very low | 154 Ų | 154 | 134 Ų | 134 | 72% | 0.72 | 68% | 0.681 | S | S | * | * | trans | 54.1 | 114.4 | 154.3 | -60.2 | 175.9 | -78.5 | 0 | 0 | 122.2 | ||||
| 891 | F | 26.9 | Very low | 26.4 | Very low | 176 Ų | 176 | 133 Ų | 133 | 77% | 0.772 | 67% | 0.672 | S | S | * | * | -169.8 | -172.1 | 97.7 | -113.9 | -85.5 | 0 | 0 | 0 | 111.7 | |||||
| 892 | E | 24.1 | Very low | 27.1 | Very low | 165 Ų | 165 | 131.1 Ų | 131.1 | 77% | 0.771 | 67% | 0.668 | S | S | * | * | trans | -93.5 | 166.3 | -146.7 | -66.8 | 164.1 | 130.9 | 0 | 0 | 119 | ||||
| 893 | E | 25.9 | Very low | 28.1 | Very low | 137 Ų | 137 | 126.3 Ų | 126.3 | 64% | 0.64 | 65% | 0.65 | S | S | * | * | trans | 54.4 | 81.2 | 168.2 | -70.1 | -162.1 | 129.5 | 0 | 0 | 120.4 | N792 | N792-E893 PolarHBondContact ND2-OE1 3.03Š| ||
| 894 | E | 23 | Very low | 29.1 | Very low | 183 Ų | 183 | 126 Ų | 126 | 86% | 0.855 | 65% | 0.645 | S | S | * | * | trans | -79 | 128.4 | 148.9 | -71.2 | -178.4 | 131.5 | 0 | 0 | 111 | Q794 | Q794-E894 PolarHBondContact NE2-O 3.01Š| ||
| 895 | L | 23.3 | Very low | 30.2 | Very low | 95 Ų | 95 | 120.5 Ų | 120.5 | 50% | 0.497 | 61% | 0.611 | S | S | . | * | trans | -151.3 | 35.4 | 162.8 | -134 | 165 | 0 | 0 | 0 | 113.6 | S793 Q794 V897 | S793-L895 WeakPolarHBondContact OG-CD1 3.13Å; Q794-L895 HydrophobicContact CG-CD1 4.3Å; L895-V897 HydrophobicContact CD2-CG2 4.07Å; L895-V897 PolarHBondContact O-N 2.98Å | ||
| 896 | E | 23.1 | Very low | 31.1 | Very low | 162 Ų | 162 | 122.5 Ų | 122.5 | 76% | 0.757 | 61% | 0.612 | S | S | * | * | trans | -77.1 | 98.4 | 165.1 | -78 | -161.4 | -171.3 | 0 | 0 | 111 | N898 | E896-N898 PolarHBondContact O-N 2.87Å; E896-N898 PolarHBondContact OE2-ND2 3.49Å | ||
| 897 | V | 28 | Very low | 32.2 | Very low | 109 Ų | 109 | 118.5 Ų | 118.5 | 66% | 0.661 | 59% | 0.59 | S | S | * | * | trans | -84.9 | 63.2 | 166.8 | -173.2 | 0 | 0 | 0 | 0 | 109.6 | L895 T899 | L895-V897 HydrophobicContact CD2-CG2 4.07Å; L895-V897 PolarHBondContact O-N 2.98Å; V897-T899 PolarHBondContact O-N 2.89Å | ||
| 898 | N | 25.3 | Very low | 32.9 | Very low | 131 Ų | 131 | 119.5 Ų | 119.5 | 70% | 0.701 | 59% | 0.592 | S | S | * | * | trans | -72.8 | 75.5 | 176.3 | -112.7 | -40.7 | 0 | 0 | 0 | 110.5 | E896 | E896-N898 PolarHBondContact O-N 2.87Å; E896-N898 PolarHBondContact OE2-ND2 3.49Å | ||
| 899 | T | 29.3 | Very low | 33.9 | Very low | 99 Ų | 99 | 116.7 Ų | 116.7 | 61% | 0.607 | 59% | 0.585 | S | S | * | * | trans | -133.4 | 63 | 175.3 | 52.9 | 0 | 0 | 0 | 0 | 112.3 | V897 R901 | V897-T899 PolarHBondContact O-N 2.89Å; T899-R901 PolarHBondContact O-N 3.25Å | ||
| 900 | A | 31 | Very low | 34.9 | Very low | 86 Ų | 86 | 113.1 Ų | 113.1 | 71% | 0.711 | 58% | 0.578 | S | S | * | * | trans | -56 | 112.5 | 165 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 901 | R | 41 | Very low | 35.8 | Very low | 154 Ų | 154 | 108.3 Ų | 108.3 | 58% | 0.581 | 56% | 0.561 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.5 | 128 | 175.5 | -66.4 | 180 | 178.4 | 179.7 | -0.3 | 108.2 | T899 I917 | T899-R901 PolarHBondContact O-N 3.25Å; R901-I917 HydrophobicContact CB-CB 4.35Å; R901-I917 HydrophobicContact CB-CD1 3.94Å; R901-I917 VanDerWaalsContact O-CB 3.24Å; R901-I917 WeakPolarHBondContact O-CB 3.35Å; R901-I917 VanDerWaalsContact O-CG1 3.27Å; R901-I917 WeakPolarHBondContact O-CG1 3.44Å; R901-I917 PolarHBondContact O-N 3.23Å |
| 902 | T | 40.9 | Very low | 36.7 | Very low | 70 Ų | 70 | 103.8 Ų | 103.8 | 43% | 0.429 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.5 | 131.5 | 172.4 | 47.1 | 0 | 0 | 0 | 0 | 110.7 | E914 L915 | T902-E914 VanDerWaalsContact CB-OE2 3.23Å; T902-E914 WeakPolarHBondContact CB-OE2 3.46Å; T902-E914 HydrophobicContact CG2-CB 4Å; T902-E914 WeakPolarHBondContact CG2-OE2 3.47Å; T902-E914 PolarHBondContact OG1-OE2 3.38Å; T902-L915 CarbonylContact C-O 3.16Å; T902-L915 VanDerWaalsContact CA-O 3.32Å; T902-L915 WeakPolarHBondContact CA-O 3.41Å |
| 903 | L | 46.5 | Very low | 37.9 | Very low | 66 Ų | 66 | 98.5 Ų | 98.5 | 35% | 0.346 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 115.7 | 168.4 | -150.4 | 139.1 | 0 | 0 | 0 | 108.4 | V905 L913 L915 I917 L981 | L903-V905 HydrophobicContact CD2-CG2 3.49Å; L903-V905 VanDerWaalsContact CD2-CG2 3.49Å; L903-V905 PolarHBondContact O-N 3.28Å; L903-L913 VanDerWaalsContact O-O 3.12Å; L903-L915 PolarHBondContact N-O 2.9Å; L903-L915 PolarHBondContact O-N 3.5Å; L903-I917 HydrophobicContact CB-CD1 3.71Å; L903-I917 HydrophobicContact CB-CG1 3.74Å; L903-I917 HydrophobicContact CD1-CD1 3.85Å; L903-I917 HydrophobicContact CD1-CG1 4.29Å; L903-I917 HydrophobicContact CG-CD1 4.23Å; L903-L981 HydrophobicContact CD2-CD2 4.46Å |
| 904 | T | 47.5 | Very low | 39 | Very low | 88 Ų | 88 | 97.8 Ų | 97.8 | 54% | 0.54 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 87.5 | 175.1 | -2.3 | 0 | 0 | 0 | 0 | 109.7 | L913 E914 | T904-L913 CarbonylContact C-O 3.47Å; T904-L913 WeakPolarHBondContact CA-O 3.26Å; T904-E914 HydrophobicContact CG2-CG 3.73Å |
| 905 | V | 49.9 | Very low | 40 | Very low | 7 Ų | 7 | 89.5 Ų | 89.5 | 4% | 0.042 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 120.8 | 172.4 | -178.2 | 0 | 0 | 0 | 0 | 108.5 | L903 I907 L913 L915 L973 L981 C983 | L903-V905 HydrophobicContact CD2-CG2 3.49Å; L903-V905 VanDerWaalsContact CD2-CG2 3.49Å; L903-V905 PolarHBondContact O-N 3.28Å; V905-I907 PolarHBondContact O-N 2.99Å; V905-L913 PolarHBondContact N-O 3.23Å; V905-L913 PolarHBondContact O-N 3.36Å; V905-L915 HydrophobicContact CG2-CD1 3.85Å; V905-L915 HydrophobicContact CG2-CG 4.45Å; V905-L973 HydrophobicContact CG2-CD1 4.33Å; V905-L981 HydrophobicContact CG2-CD2 4.35Å; V905-C983 HydrophobicContact CG1-CB 3.99Å |
| 906 | R | 43.8 | Very low | 41 | Very low | 195 Ų | 195 | 88.9 Ų | 88.9 | 74% | 0.736 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 109.2 | 170.8 | -174.1 | 178.8 | -73.8 | 170.7 | -3.2 | 108.8 | ||
| 907 | I | 47.9 | Very low | 42 | Very low | 32 Ų | 32 | 82.7 Ų | 82.7 | 16% | 0.164 | 46% | 0.46 | C | S | . | . | trans | -65.8 | 151.2 | 175.6 | -59.3 | 165 | 0 | 0 | 0 | 109.1 | V905 N909 G910 S911 L913 | V905-I907 PolarHBondContact O-N 2.99Å; I907-N909 WeakPolarHBondContact CB-OD1 3.33Å; I907-N909 VanDerWaalsContact CG2-OD1 3.32Å; I907-N909 WeakPolarHBondContact CG2-OD1 3.41Å; I907-N909 PolarHBondContact O-N 3.45Å; I907-G910 PolarHBondContact O-N 3.39Å; I907-S911 WeakPolarHBondContact CB-O 3.22Å; I907-S911 PolarHBondContact N-O 2.99Å; I907-L913 HydrophobicContact CD1-CB 3.71Å; I907-L913 HydrophobicContact CD1-CD2 4.19Å; I907-L913 HydrophobicContact CD1-CG 4.48Å; I907-L913 HydrophobicContact CG1-CB 4.16Å | ||
| 908 | H | 40.6 | Very low | 42.8 | Very low | 112 Ų | 112 | 83 Ų | 83 | 52% | 0.519 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -13 | -175.4 | -151.3 | -68.7 | 0 | 0 | 0 | 114.8 | G910 Y1007 | H908-G910 VanDerWaalsContact C-N 3.32Å; H908-Y1007 AromaticContact NE2-CD1 3.99Å |
| 909 | N | 46.1 | Very low | 43.2 | Very low | 104 Ų | 104 | 81.7 Ų | 81.7 | 56% | 0.556 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -0.4 | 171.1 | 66.8 | -0.8 | 0 | 0 | 0 | 113.6 | I907 S911 | I907-N909 WeakPolarHBondContact CB-OD1 3.33Å; I907-N909 VanDerWaalsContact CG2-OD1 3.32Å; I907-N909 WeakPolarHBondContact CG2-OD1 3.41Å; I907-N909 PolarHBondContact O-N 3.45Å; N909-S911 PolarHBondContact ND2-OG 2.82Å; N909-S911 PolarHBondContact OD1-N 2.92Å; N909-S911 PolarHBondContact OD1-OG 2.9Å |
| 910 | G | 44.4 | Very low | 43.8 | Very low | 51 Ų | 51 | 81.5 Ų | 81.5 | 53% | 0.526 | 45% | 0.45 | S | S | . | . | S | Bend | trans | 93.1 | -9.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | I907 H908 | I907-G910 PolarHBondContact O-N 3.39Å; H908-G910 VanDerWaalsContact C-N 3.32Å |
| 911 | S | 42.6 | Very low | 44.2 | Very low | 52 Ų | 52 | 80.7 Ų | 80.7 | 36% | 0.364 | 43% | 0.433 | S | S | . | . | trans | -79.4 | 141.7 | 178.4 | 65.5 | 0 | 0 | 0 | 0 | 112.4 | I907 N909 | I907-S911 WeakPolarHBondContact CB-O 3.22Å; I907-S911 PolarHBondContact N-O 2.99Å; N909-S911 PolarHBondContact ND2-OG 2.82Å; N909-S911 PolarHBondContact OD1-N 2.92Å; N909-S911 PolarHBondContact OD1-OG 2.9Å | ||
| 912 | S | 46.6 | Very low | 43.9 | Very low | 82 Ų | 82 | 77.4 Ų | 77.4 | 57% | 0.573 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 126.9 | 172.1 | -57.6 | 0 | 0 | 0 | 0 | 110.6 | ||
| 913 | L | 49.4 | Very low | 43.6 | Very low | 54 Ų | 54 | 77.4 Ų | 77.4 | 28% | 0.283 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 126.9 | 171.2 | -175.7 | 68.4 | 0 | 0 | 0 | 109.4 | L903 T904 V905 I907 L915 | L903-L913 VanDerWaalsContact O-O 3.12Å; T904-L913 CarbonylContact C-O 3.47Å; T904-L913 WeakPolarHBondContact CA-O 3.26Å; V905-L913 PolarHBondContact N-O 3.23Å; V905-L913 PolarHBondContact O-N 3.36Å; I907-L913 HydrophobicContact CD1-CB 3.71Å; I907-L913 HydrophobicContact CD1-CD2 4.19Å; I907-L913 HydrophobicContact CD1-CG 4.48Å; I907-L913 HydrophobicContact CG1-CB 4.16Å; L913-L915 HydrophobicContact CD2-CD2 3.59Å; L913-L915 HydrophobicContact CD2-CG 4.21Å; L913-L915 HydrophobicContact CG-CD2 4.03Å; L913-L915 HydrophobicContact CG-CG 4.39Å; L913-L915 PolarHBondContact O-N 2.91Å |
| 914 | E | 48.3 | Very low | 42.9 | Very low | 121 Ų | 121 | 82.6 Ų | 82.6 | 57% | 0.565 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 105.4 | 171.8 | -79.9 | -172.1 | -134.5 | 0 | 0 | 109.8 | T902 T904 | T902-E914 VanDerWaalsContact CB-OE2 3.23Å; T902-E914 WeakPolarHBondContact CB-OE2 3.46Å; T902-E914 HydrophobicContact CG2-CB 4Å; T902-E914 WeakPolarHBondContact CG2-OE2 3.47Å; T902-E914 PolarHBondContact OG1-OE2 3.38Å; T904-E914 HydrophobicContact CG2-CG 3.73Å |
| 915 | L | 45 | Very low | 42 | Very low | 10 Ų | 10 | 84.6 Ų | 84.6 | 5% | 0.052 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 130.2 | 173.9 | -66.1 | -179.8 | 0 | 0 | 0 | 110 | T902 L903 V905 L913 I917 F971 L973 | T902-L915 CarbonylContact C-O 3.16Å; T902-L915 VanDerWaalsContact CA-O 3.32Å; T902-L915 WeakPolarHBondContact CA-O 3.41Å; L903-L915 PolarHBondContact N-O 2.9Å; L903-L915 PolarHBondContact O-N 3.5Å; V905-L915 HydrophobicContact CG2-CD1 3.85Å; V905-L915 HydrophobicContact CG2-CG 4.45Å; L913-L915 HydrophobicContact CD2-CD2 3.59Å; L913-L915 HydrophobicContact CD2-CG 4.21Å; L913-L915 HydrophobicContact CG-CD2 4.03Å; L913-L915 HydrophobicContact CG-CG 4.39Å; L913-L915 PolarHBondContact O-N 2.91Å; L915-I917 PolarHBondContact O-N 2.86Å; L915-F971 HydrophobicContact CD1-CD2 4.37Å; L915-F971 HydrophobicContact CD1-CE2 4.07Å; L915-F971 HydrophobicContact CD2-CD1 4.27Å; L915-F971 HydrophobicContact CD2-CD2 4.03Å; L915-F971 HydrophobicContact CD2-CE1 4.05Å; L915-F971 HydrophobicContact CD2-CE2 3.82Å; L915-F971 HydrophobicContact CD2-CG 4.27Å; L915-F971 HydrophobicContact CD2-CZ 3.83Å; L915-L973 HydrophobicContact CD1-CD1 4.18Å |
| 916 | P | 44.2 | Very low | 41.1 | Very low | 81 Ų | 81 | 89 Ų | 89 | 53% | 0.526 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 127.7 | 172 | 28.2 | -33.2 | 0 | 0 | 0 | 110.4 | ||
| 917 | I | 44.4 | Very low | 40.6 | Very low | 33 Ų | 33 | 86.9 Ų | 86.9 | 17% | 0.169 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 113.8 | 175.4 | -55.8 | 167.9 | 0 | 0 | 0 | 108.6 | R901 L903 L915 I921 | R901-I917 HydrophobicContact CB-CB 4.35Å; R901-I917 HydrophobicContact CB-CD1 3.94Å; R901-I917 VanDerWaalsContact O-CB 3.24Å; R901-I917 WeakPolarHBondContact O-CB 3.35Å; R901-I917 VanDerWaalsContact O-CG1 3.27Å; R901-I917 WeakPolarHBondContact O-CG1 3.44Å; R901-I917 PolarHBondContact O-N 3.23Å; L903-I917 HydrophobicContact CB-CD1 3.71Å; L903-I917 HydrophobicContact CB-CG1 3.74Å; L903-I917 HydrophobicContact CD1-CD1 3.85Å; L903-I917 HydrophobicContact CD1-CG1 4.29Å; L903-I917 HydrophobicContact CG-CD1 4.23Å; L915-I917 PolarHBondContact O-N 2.86Å; I917-I921 HydrophobicContact CG2-CB 3.84Å; I917-I921 HydrophobicContact CG2-CG1 4.2Å |
| 918 | E | 43.4 | Very low | 40.2 | Very low | 116 Ų | 116 | 90.4 Ų | 90.4 | 54% | 0.542 | 54% | 0.539 | S | S | . | . | trans | -58.2 | 136.4 | 156 | -72.8 | 166.6 | -141.4 | 0 | 0 | 108.5 | V562 D920 I921 | V562-E918 WeakPolarHBondContact CG2-OE2 3.16Å; E918-D920 PolarHBondContact O-N 3.14Å; E918-I921 PolarHBondContact O-N 3.32Å | ||
| 919 | S | 35.2 | Very low | 40.8 | Very low | 102 Ų | 102 | 92.7 Ų | 92.7 | 71% | 0.713 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.5 | -17.9 | -153.8 | 48.5 | 0 | 0 | 0 | 0 | 118.4 | ||
| 920 | D | 41.5 | Very low | 41.3 | Very low | 95 Ų | 95 | 95.9 Ų | 95.9 | 51% | 0.508 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.1 | -9.3 | -160.8 | -63.8 | 9.7 | 0 | 0 | 0 | 113.3 | V562 E918 C922 | V562-D920 HydrophobicContact CG1-CB 4.05Å; V562-D920 WeakPolarHBondContact CG1-OD2 3.33Å; E918-D920 PolarHBondContact O-N 3.14Å; D920-C922 PolarHBondContact O-N 2.94Å |
| 921 | I | 39.8 | Very low | 42.2 | Very low | 69 Ų | 69 | 100.2 Ų | 100.2 | 35% | 0.354 | 57% | 0.57 | S | S | . | * | trans | -78.9 | 53.3 | 173.6 | -38.9 | -179.5 | 0 | 0 | 0 | 111 | I917 E918 A923 | I917-I921 HydrophobicContact CG2-CB 3.84Å; I917-I921 HydrophobicContact CG2-CG1 4.2Å; E918-I921 PolarHBondContact O-N 3.32Å; I921-A923 PolarHBondContact O-N 2.98Å | ||
| 922 | C | 33.1 | Very low | 43.5 | Very low | 86 Ų | 86 | 98.9 Ų | 98.9 | 58% | 0.581 | 56% | 0.56 | S | S | * | * | trans | -95.7 | 82.4 | -180 | -162.1 | 0 | 0 | 0 | 0 | 110.8 | D920 Q924 | D920-C922 PolarHBondContact O-N 2.94Å; C922-Q924 PolarHBondContact O-N 3.32Å | ||
| 923 | A | 36 | Very low | 44.6 | Very low | 70 Ų | 70 | 98.7 Ų | 98.7 | 58% | 0.579 | 56% | 0.557 | S | S | * | * | trans | -60.9 | 125.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | I921 P933 | I921-A923 PolarHBondContact O-N 2.98Å; A923-P933 HydrophobicContact CB-CB 4.48Å | ||
| 924 | Q | 31.3 | Very low | 45.8 | Very low | 175 Ų | 175 | 98.4 Ų | 98.4 | 82% | 0.818 | 56% | 0.555 | S | S | * | * | trans | -64.2 | 139.1 | 170.5 | -69.3 | -173.3 | -1.8 | 0 | 0 | 109.8 | C922 S926 | C922-Q924 PolarHBondContact O-N 3.32Å; Q924-S926 PolarHBondContact O-N 3.23Å; Q924-S926 PolarHBondContact O-OG 3.39Å | ||
| 925 | S | 27.6 | Very low | 47.2 | Very low | 130 Ų | 130 | 95.5 Ų | 95.5 | 91% | 0.909 | 55% | 0.548 | S | S | * | . | trans | -57.2 | 99.7 | -173.4 | 54.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 926 | S | 31.9 | Very low | 48.7 | Very low | 98 Ų | 98 | 96.7 Ų | 96.7 | 69% | 0.685 | 56% | 0.555 | S | S | * | * | trans | -132.9 | 121.1 | -178.7 | 41.4 | 0 | 0 | 0 | 0 | 108.4 | Q924 D928 | Q924-S926 PolarHBondContact O-N 3.23Å; Q924-S926 PolarHBondContact O-OG 3.39Å; S926-D928 PolarHBondContact O-N 3.13Å; S926-D928 VanDerWaalsContact O-N 3.16Å | ||
| 927 | T | 34.3 | Very low | 50.2 | Low | 151 Ų | 151 | 98 Ų | 98 | 93% | 0.926 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -87.5 | 26.3 | -165.4 | 48.5 | 0 | 0 | 0 | 0 | 114 | ||
| 928 | D | 39.2 | Very low | 51.7 | Low | 106 Ų | 106 | 98.3 Ų | 98.3 | 57% | 0.567 | 56% | 0.561 | S | S | * | * | trans | -130 | 99.1 | -179.8 | -104.3 | -64.2 | 0 | 0 | 0 | 110.6 | S926 K930 | S926-D928 PolarHBondContact O-N 3.13Å; S926-D928 VanDerWaalsContact O-N 3.16Å; D928-K930 PolarHBondContact O-N 2.95Å; D928-K930 IonicContact OD1-NZ 2.7Å | ||
| 929 | L | 53 | Low | 53.5 | Low | 160 Ų | 160 | 92.8 Ų | 92.8 | 84% | 0.838 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | 24.2 | 178.1 | -81.6 | 160.9 | 0 | 0 | 0 | 114.3 | ||
| 930 | K | 56.9 | Low | 55.6 | Low | 171 Ų | 171 | 90.2 Ų | 90.2 | 74% | 0.743 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | -3.4 | -172.6 | -68.3 | 176.6 | -177.2 | 157.4 | 0 | 114.7 | D928 | D928-K930 PolarHBondContact O-N 2.95Å; D928-K930 IonicContact OD1-NZ 2.7Å |
| 931 | Q | 62.7 | Low | 57.1 | Low | 143 Ų | 143 | 90.7 Ų | 90.7 | 67% | 0.668 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -134.2 | 143.7 | 177.6 | -67.1 | -172 | 4.7 | 0 | 0 | 111.9 | W975 | Q931-W975 WeakPolarHBondContact O-CH2 3.41Š|
| 932 | C | 70.7 | Confident | 59 | Low | 24 Ų | 24 | 87.5 Ų | 87.5 | 16% | 0.162 | 50% | 0.497 | C | S | . | . | trans | -63.6 | 134.1 | 178.9 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | L934 K963 W975 | C932-L934 VanDerWaalsContact C-N 3.26Å; C932-L934 PolarHBondContact O-N 3.24Å; C932-L934 PolarHBondContact SG-O 3.47Å; C932-K963 HydrophobicContact CB-CD 4.31Å; C932-W975 HydrophobicContact CB-CD2 3.67Å; C932-W975 HydrophobicContact CB-CE3 4.07Å; C932-W975 HydrophobicContact CB-CG 3.85Å | ||
| 933 | P | 69.2 | Low | 61.4 | Low | 77 Ų | 77 | 83.6 Ų | 83.6 | 50% | 0.5 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -70.5 | -18.9 | -177.6 | 28.7 | -36.1 | 0 | 0 | 0 | 114 | A923 | A923-P933 HydrophobicContact CB-CB 4.48Š|
| 934 | L | 73.7 | Confident | 63.4 | Low | 48 Ų | 48 | 81.6 Ų | 81.6 | 25% | 0.251 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -105.7 | 140.2 | 176 | -64.8 | 176.3 | 0 | 0 | 0 | 111.4 | C932 T938 L939 L965 | C932-L934 VanDerWaalsContact C-N 3.26Å; C932-L934 PolarHBondContact O-N 3.24Å; C932-L934 PolarHBondContact SG-O 3.47Å; L934-T938 HydrophobicContact CD2-CG2 4.38Å; L934-L939 HydrophobicContact CB-CD1 4.16Å; L934-L939 HydrophobicContact CB-CD2 4.17Å; L934-L939 HydrophobicContact CB-CG 3.99Å; L934-L939 HydrophobicContact CD1-CD2 3.79Å; L934-L965 HydrophobicContact CD1-CD2 4.34Å |
| 935 | S | 77.9 | Confident | 65.7 | Low | 60 Ų | 60 | 73.7 Ų | 73.7 | 42% | 0.42 | 41% | 0.413 | S | S | . | . | trans | -78.9 | 155 | 177.2 | 93.5 | 0 | 0 | 0 | 0 | 112.1 | N937 T938 L939 | S935-N937 VanDerWaalsContact C-N 3.29Å; S935-N937 PolarHBondContact O-N 2.88Å; S935-T938 WeakPolarHBondContact O-CB 3.13Å; S935-T938 PolarHBondContact O-N 2.83Å; S935-T938 VanDerWaalsContact O-N 3.11Å; S935-T938 PolarHBondContact OG-N 2.86Å; S935-T938 PolarHBondContact OG-OG1 3.17Å; S935-L939 PolarHBondContact O-N 3.36Å | ||
| 936 | D | 77.7 | Confident | 67.9 | Low | 35 Ų | 35 | 70.7 Ų | 70.7 | 19% | 0.187 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -58.2 | -41.1 | 179 | -48.1 | -51.2 | 0 | 0 | 0 | 111.7 | R481 T938 L939 F940 K963 | R481-D936 IonicContact NH2-OD2 3.43Å; R481-D936 PolarHBondContact NH2-OD2 2.95Å; R481-D936 VanDerWaalsContact NH2-OD2 3.13Å; D936-T938 VanDerWaalsContact C-N 3.35Å; D936-T938 PolarHBondContact O-N 3.46Å; D936-L939 PolarHBondContact O-N 3.12Å; D936-F940 HydrophobicContact CB-CE2 4.04Å; D936-F940 HydrophobicContact CB-CZ 4.11Å; D936-F940 VanDerWaalsContact O-CB 3.3Å; D936-F940 WeakPolarHBondContact O-CB 3.22Å; D936-F940 WeakPolarHBondContact O-CD1 3.46Å; D936-F940 WeakPolarHBondContact O-CD2 3.44Å; D936-F940 WeakPolarHBondContact O-CG 3.26Å; D936-F940 PolarHBondContact O-N 3.4Å; D936-K963 IonicContact OD1-NZ 3.86Å; D936-K963 PolarHBondContact OD1-NZ 2.82Å |
| 937 | N | 74.5 | Confident | 69.9 | Low | 109 Ų | 109 | 67.4 Ų | 67.4 | 58% | 0.583 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -66.8 | -36.3 | 178.1 | -71.5 | 1.7 | 0 | 0 | 0 | 112.2 | S935 N941 | S935-N937 VanDerWaalsContact C-N 3.29Å; S935-N937 PolarHBondContact O-N 2.88Å; N937-N941 PolarHBondContact O-N 2.98Å; N937-N941 PolarHBondContact O-ND2 3.17Å |
| 938 | T | 75.9 | Confident | 72 | Confident | 40 Ų | 40 | 61.6 Ų | 61.6 | 25% | 0.245 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.3 | -52.8 | 175 | -46.8 | 0 | 0 | 0 | 0 | 109.5 | N565 L934 S935 D936 N941 S942 | N565-T938 WeakPolarHBondContact OD1-CG2 3.46Å; L934-T938 HydrophobicContact CD2-CG2 4.38Å; S935-T938 WeakPolarHBondContact O-CB 3.13Å; S935-T938 PolarHBondContact O-N 2.83Å; S935-T938 VanDerWaalsContact O-N 3.11Å; S935-T938 PolarHBondContact OG-N 2.86Å; S935-T938 PolarHBondContact OG-OG1 3.17Å; D936-T938 VanDerWaalsContact C-N 3.35Å; D936-T938 PolarHBondContact O-N 3.46Å; T938-N941 PolarHBondContact O-N 2.81Å; T938-S942 PolarHBondContact O-N 3.01Å; T938-S942 VanDerWaalsContact O-N 3.14Å; T938-S942 PolarHBondContact O-OG 3.29Å; T938-S942 VanDerWaalsContact O-OG 3.04Å |
| 939 | L | 81 | Confident | 74 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 179.2 | -70.1 | 169.7 | 0 | 0 | 0 | 112.7 | V560 L934 S935 D936 N941 S942 Y943 K963 L965 | V560-L939 HydrophobicContact CG1-CD2 4.39Å; L934-L939 HydrophobicContact CB-CD1 4.16Å; L934-L939 HydrophobicContact CB-CD2 4.17Å; L934-L939 HydrophobicContact CB-CG 3.99Å; L934-L939 HydrophobicContact CD1-CD2 3.79Å; S935-L939 PolarHBondContact O-N 3.36Å; D936-L939 PolarHBondContact O-N 3.12Å; L939-N941 PolarHBondContact O-N 2.84Å; L939-S942 WeakPolarHBondContact CA-OG 3.44Å; L939-S942 PolarHBondContact O-N 3.45Å; L939-S942 PolarHBondContact O-OG 3.08Å; L939-Y943 HydrophobicContact CB-CE2 3.84Å; L939-Y943 HydrophobicContact CD2-CE1 4.48Å; L939-Y943 WeakPolarHBondContact O-CD2 3.4Å; L939-Y943 VanDerWaalsContact O-CG 3.25Å; L939-Y943 PolarHBondContact O-N 3.04Å; L939-K963 HydrophobicContact CD1-CB 4.07Å; L939-K963 HydrophobicContact CD1-CD 3.96Å; L939-L965 HydrophobicContact CD1-CD2 4.21Å; L939-L965 HydrophobicContact CD2-CD2 4.2Å |
| 940 | F | 80.4 | Confident | 75.6 | Confident | 48 Ų | 48 | 50.6 Ų | 50.6 | 21% | 0.211 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.9 | -24.6 | 179.3 | -67.3 | -15.1 | 0 | 0 | 0 | 113.4 | D936 Y943 K955 C958 K959 | D936-F940 HydrophobicContact CB-CE2 4.04Å; D936-F940 HydrophobicContact CB-CZ 4.11Å; D936-F940 VanDerWaalsContact O-CB 3.3Å; D936-F940 WeakPolarHBondContact O-CB 3.22Å; D936-F940 WeakPolarHBondContact O-CD1 3.46Å; D936-F940 WeakPolarHBondContact O-CD2 3.44Å; D936-F940 WeakPolarHBondContact O-CG 3.26Å; D936-F940 PolarHBondContact O-N 3.4Å; F940-Y943 HydrophobicContact CD1-CD2 4.49Å; F940-Y943 HydrophobicContact CD1-CE2 4.39Å; F940-K955 HydrophobicContact CD1-CB 4.32Å; F940-K955 HydrophobicContact CD1-CD 4.49Å; F940-K955 HydrophobicContact CD1-CG 3.84Å; F940-K955 HydrophobicContact CE1-CB 4.31Å; F940-K955 HydrophobicContact CE1-CG 4.32Å; F940-K955 WeakPolarHBondContact O-CE 3.34Å; F940-K955 PolarHBondContact O-NZ 2.95Å; F940-C958 HydrophobicContact CE1-CB 3.95Å; F940-K959 HydrophobicContact CE1-CG 4.49Å; F940-K959 HydrophobicContact CZ-CG 3.76Å |
| 941 | N | 72.2 | Confident | 77.1 | Confident | 105 Ų | 105 | 44.2 Ų | 44.2 | 56% | 0.561 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -86.4 | -40 | 175.4 | -70 | -16.6 | 0 | 0 | 0 | 111.9 | K564 N937 T938 L939 | K564-N941 WeakPolarHBondContact CD-O 3.47Å; K564-N941 PolarHBondContact NZ-O 3.06Å; N937-N941 PolarHBondContact O-N 2.98Å; N937-N941 PolarHBondContact O-ND2 3.17Å; T938-N941 PolarHBondContact O-N 2.81Å; L939-N941 PolarHBondContact O-N 2.84Å |
| 942 | S | 78.7 | Confident | 78.4 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.007 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -77.1 | -19.9 | -179.3 | 55.5 | 0 | 0 | 0 | 0 | 115.2 | V560 S561 T938 L939 E944 | V560-S942 WeakPolarHBondContact CG1-OG 3.42Å; S561-S942 PolarHBondContact N-O 2.81Å; S561-S942 WeakPolarHBondContact O-CB 3.32Å; S561-S942 PolarHBondContact OG-O 2.67Å; T938-S942 PolarHBondContact O-N 3.01Å; T938-S942 VanDerWaalsContact O-N 3.14Å; T938-S942 PolarHBondContact O-OG 3.29Å; T938-S942 VanDerWaalsContact O-OG 3.04Å; L939-S942 WeakPolarHBondContact CA-OG 3.44Å; L939-S942 PolarHBondContact O-N 3.45Å; L939-S942 PolarHBondContact O-OG 3.08Å; S942-E944 PolarHBondContact O-N 3.22Å |
| 943 | Y | 85.4 | Confident | 79.4 | Confident | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 120.8 | 175.8 | -72 | -43.3 | 0 | 0 | 0 | 113.1 | V559 V560 L939 F940 V954 K955 C958 L964 | V559-Y943 WeakPolarHBondContact O-CA 3.47Å; V560-Y943 HydrophobicContact CG2-CD1 3.86Å; V560-Y943 HydrophobicContact CG2-CE1 3.65Å; L939-Y943 HydrophobicContact CB-CE2 3.84Å; L939-Y943 HydrophobicContact CD2-CE1 4.48Å; L939-Y943 WeakPolarHBondContact O-CD2 3.4Å; L939-Y943 VanDerWaalsContact O-CG 3.25Å; L939-Y943 PolarHBondContact O-N 3.04Å; F940-Y943 HydrophobicContact CD1-CD2 4.49Å; F940-Y943 HydrophobicContact CD1-CE2 4.39Å; Y943-V954 HydrophobicContact CD1-CG1 3.86Å; Y943-V954 HydrophobicContact CD2-CG1 3.99Å; Y943-V954 HydrophobicContact CE1-CG1 3.71Å; Y943-V954 HydrophobicContact CE2-CG1 3.82Å; Y943-V954 HydrophobicContact CG-CG1 4.04Å; Y943-K955 HydrophobicContact CD2-CG 3.96Å; Y943-C958 HydrophobicContact CE2-CB 4.01Å; Y943-L964 HydrophobicContact CE1-CB 3.85Å; Y943-L964 HydrophobicContact CE1-CD2 4.31Å; Y943-L964 HydrophobicContact CE1-CG 4.22Å; Y943-L964 VanDerWaalsContact CE1-O 3.26Å; Y943-L964 WeakPolarHBondContact CE1-O 3.48Å; Y943-L964 PolarHBondContact OH-N 2.96Å; Y943-L964 PolarHBondContact OH-O 2.95Å |
| 944 | E | 77.3 | Confident | 80.4 | Confident | 28 Ų | 28 | 33.3 Ų | 33.3 | 13% | 0.131 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 152.7 | 174 | -71.1 | 174.9 | -154.6 | 0 | 0 | 109.8 | N244 A558 V559 S561 K564 S942 | N244-E944 PolarHBondContact ND2-OE2 3.06Å; N244-E944 PolarHBondContact OD1-OE2 3.32Å; A558-E944 CarbonylContact C-O 3.59Å; A558-E944 VanDerWaalsContact CA-O 3.23Å; A558-E944 WeakPolarHBondContact CA-O 3.26Å; V559-E944 HydrophobicContact CG2-CB 4.25Å; V559-E944 PolarHBondContact N-O 3.2Å; V559-E944 PolarHBondContact O-N 3.43Å; S561-E944 WeakPolarHBondContact CB-OE1 3.43Å; S561-E944 VanDerWaalsContact OG-CD 3.28Å; S561-E944 PolarHBondContact OG-OE1 3.02Å; K564-E944 WeakPolarHBondContact CE-OE1 3.3Å; K564-E944 IonicContact NZ-OE1 3.5Å; K564-E944 PolarHBondContact NZ-OE1 2.82Å; S942-E944 PolarHBondContact O-N 3.22Å |
| 945 | S | 80.3 | Confident | 81.3 | Confident | 10 Ų | 10 | 34 Ų | 34 | 7% | 0.07 | 18% | 0.184 | C | C | . | . | trans | -162.6 | 178.2 | 175 | 80.2 | 0 | 0 | 0 | 0 | 111.1 | S947 I951 | S945-S947 PolarHBondContact O-N 3.27Å; S945-S947 PolarHBondContact OG-N 3.5Å; S945-S947 PolarHBondContact OG-O 2.93Å; S945-I951 WeakPolarHBondContact OG-CG1 3.38Å | ||
| 946 | E | 72.4 | Confident | 81.9 | Confident | 66 Ų | 66 | 31.5 Ų | 31.5 | 31% | 0.308 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -69.1 | -9.2 | 175 | -63.7 | 179.2 | 123 | 0 | 0 | 115.1 | N180 T557 | N180-E946 WeakPolarHBondContact CB-O 3.46Å; N180-E946 PolarHBondContact ND2-O 3.16Å; N180-E946 PolarHBondContact OD1-O 3.2Å; T557-E946 WeakPolarHBondContact CB-OE2 3.21Å; T557-E946 WeakPolarHBondContact CG2-OE2 3.4Å; T557-E946 WeakPolarHBondContact OG1-CB 3.45Å; T557-E946 WeakPolarHBondContact OG1-CG 3.42Å; T557-E946 PolarHBondContact OG1-OE2 3.14Å |
| 947 | S | 75.5 | Confident | 82.6 | Confident | 30 Ų | 30 | 29.9 Ų | 29.9 | 21% | 0.21 | 16% | 0.157 | C | C | . | . | trans | -154.4 | 148.7 | 169.8 | 75.8 | 0 | 0 | 0 | 0 | 114.2 | S945 D949 E950 I951 | S945-S947 PolarHBondContact O-N 3.27Å; S945-S947 PolarHBondContact OG-N 3.5Å; S945-S947 PolarHBondContact OG-O 2.93Å; S947-D949 PolarHBondContact O-N 2.95Å; S947-E950 PolarHBondContact O-N 3.42Å; S947-E950 VanDerWaalsContact O-N 3.08Å; S947-E950 WeakPolarHBondContact OG-CG 3.42Å; S947-I951 PolarHBondContact O-N 2.9Å | ||
| 948 | P | 77.4 | Confident | 83.4 | Confident | 28 Ų | 28 | 24.7 Ų | 24.7 | 18% | 0.182 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.7 | -25.3 | -178 | 27.9 | -36.5 | 0 | 0 | 0 | 112.9 | M410 E950 I951 C952 | M410-P948 HydrophobicContact CE-CG 4.01Å; M410-P948 HydrophobicContact CG-CB 3.84Å; M410-P948 HydrophobicContact CG-CG 4.05Å; P948-E950 VanDerWaalsContact C-N 3.31Å; P948-E950 PolarHBondContact O-N 3.27Å; P948-I951 PolarHBondContact O-N 2.83Å; P948-C952 PolarHBondContact O-N 2.9Å |
| 949 | D | 82 | Confident | 84 | Confident | 22 Ų | 22 | 28.4 Ų | 28.4 | 12% | 0.118 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.6 | -42.2 | 173.1 | -61.6 | 35.6 | 0 | 0 | 0 | 110.5 | S947 C952 L953 R1053 I1107 | S947-D949 PolarHBondContact O-N 2.95Å; D949-C952 VanDerWaalsContact O-CB 3.27Å; D949-C952 WeakPolarHBondContact O-CB 3.34Å; D949-C952 PolarHBondContact O-N 3.24Å; D949-L953 WeakPolarHBondContact O-CG 3.45Å; D949-L953 PolarHBondContact O-N 2.98Å; D949-R1053 IonicContact OD1-CZ 2.68Å; D949-R1053 IonicContact OD1-NH1 2.58Å; D949-R1053 PolarHBondContact OD1-NH1 3.19Å; D949-R1053 WeakPolarHBondContact OD2-CD 3.38Å; D949-R1053 IonicContact OD2-CZ 2.78Å; D949-R1053 IonicContact OD2-NH1 2.93Å; D949-R1053 PolarHBondContact OD2-NH1 2.93Å; D949-I1107 HydrophobicContact CB-CD1 4.42Å |
| 950 | E | 86.7 | Confident | 84.3 | Confident | 14 Ų | 14 | 33.6 Ų | 33.6 | 7% | 0.065 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -72.8 | -38.2 | 179.2 | -28.5 | -145.7 | 137.9 | 0 | 0 | 112.7 | N556 T557 S947 P948 C952 L953 V954 K1016 | N556-E950 WeakPolarHBondContact CA-OE2 3.16Å; N556-E950 HydrophobicContact CB-CB 4.31Å; N556-E950 WeakPolarHBondContact CB-OE2 3.34Å; T557-E950 PolarHBondContact N-OE2 3.42Å; S947-E950 PolarHBondContact O-N 3.42Å; S947-E950 VanDerWaalsContact O-N 3.08Å; S947-E950 WeakPolarHBondContact OG-CG 3.42Å; P948-E950 VanDerWaalsContact C-N 3.31Å; P948-E950 PolarHBondContact O-N 3.27Å; E950-C952 PolarHBondContact O-N 3.01Å; E950-L953 PolarHBondContact O-N 2.74Å; E950-L953 VanDerWaalsContact O-N 3.1Å; E950-V954 WeakPolarHBondContact O-CG2 3.5Å; E950-V954 PolarHBondContact O-N 3.06Å; E950-K1016 WeakPolarHBondContact OE1-CE 3.2Å; E950-K1016 IonicContact OE1-NZ 2.66Å; E950-K1016 PolarHBondContact OE1-NZ 3.18Å; E950-K1016 IonicContact OE2-NZ 3.13Å; E950-K1016 PolarHBondContact OE2-NZ 3.19Å |
| 951 | I | 86.9 | Confident | 84.6 | Confident | 37 Ų | 37 | 34.9 Ų | 34.9 | 19% | 0.19 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.2 | -36.5 | 174.2 | -57.3 | -180 | 0 | 0 | 0 | 109.6 | S945 S947 P948 K955 | S945-I951 WeakPolarHBondContact OG-CG1 3.38Å; S947-I951 PolarHBondContact O-N 2.9Å; P948-I951 PolarHBondContact O-N 2.83Å; I951-K955 HydrophobicContact CG2-CD 3.87Å; I951-K955 VanDerWaalsContact CG2-CE 3.44Å; I951-K955 HydrophobicContact CG2-CG 4.46Å; I951-K955 VanDerWaalsContact O-CB 3.29Å; I951-K955 WeakPolarHBondContact O-CB 3.42Å; I951-K955 WeakPolarHBondContact O-CG 3.42Å; I951-K955 PolarHBondContact O-N 3.17Å |
| 952 | C | 89.7 | Confident | 85.5 | Confident | 12 Ų | 12 | 31.1 Ų | 31.1 | 8% | 0.081 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.7 | -48.5 | 173.7 | -163 | 0 | 0 | 0 | 0 | 112.5 | M410 E411 F412 P948 D949 E950 V954 K955 E956 I1107 | M410-C952 VanDerWaalsContact C-SG 3.54Å; M410-C952 HydrophobicContact CB-CB 3.91Å; M410-C952 PolarHBondContact O-SG 3.24Å; E411-C952 VanDerWaalsContact C-SG 3.56Å; F412-C952 PolarHBondContact N-SG 3.04Å; P948-C952 PolarHBondContact O-N 2.9Å; D949-C952 VanDerWaalsContact O-CB 3.27Å; D949-C952 WeakPolarHBondContact O-CB 3.34Å; D949-C952 PolarHBondContact O-N 3.24Å; E950-C952 PolarHBondContact O-N 3.01Å; C952-V954 PolarHBondContact O-N 2.64Å; C952-K955 PolarHBondContact O-N 3.16Å; C952-E956 PolarHBondContact O-N 3.17Å; C952-I1107 HydrophobicContact CB-CG2 4.44Å |
| 953 | L | 92.1 | Very high | 86.1 | Confident | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.4 | -45.7 | 178.6 | -62.4 | -171.4 | 0 | 0 | 0 | 112.3 | F412 L552 D949 E950 E956 A957 K1016 L1055 T1105 I1107 | F412-L953 HydrophobicContact CD2-CD2 3.92Å; F412-L953 HydrophobicContact CE2-CD2 3.86Å; L552-L953 HydrophobicContact CD2-CB 3.82Å; L552-L953 HydrophobicContact CD2-CD1 3.9Å; L552-L953 HydrophobicContact CD2-CD2 3.73Å; L552-L953 HydrophobicContact CD2-CG 3.99Å; D949-L953 WeakPolarHBondContact O-CG 3.45Å; D949-L953 PolarHBondContact O-N 2.98Å; E950-L953 PolarHBondContact O-N 2.74Å; E950-L953 VanDerWaalsContact O-N 3.1Å; L953-E956 PolarHBondContact O-N 3.08Å; L953-A957 PolarHBondContact O-N 3.01Å; L953-K1016 HydrophobicContact CD1-CD 4.27Å; L953-L1055 HydrophobicContact CD1-CD1 4.22Å; L953-T1105 HydrophobicContact CD2-CG2 3.83Å; L953-I1107 HydrophobicContact CD2-CD1 3.77Å; L953-I1107 HydrophobicContact CD2-CG1 4.41Å; L953-I1107 HydrophobicContact CG-CD1 4.43Å |
| 954 | V | 91.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.6 | -37.3 | 179.1 | 175.1 | 0 | 0 | 0 | 0 | 111.4 | N556 A558 Y943 E950 C952 A957 C958 L964 | N556-V954 HydrophobicContact CB-CG2 4.31Å; N556-V954 VanDerWaalsContact ND2-CG2 3.27Å; N556-V954 WeakPolarHBondContact ND2-CG2 3.36Å; A558-V954 HydrophobicContact CB-CG2 3.83Å; Y943-V954 HydrophobicContact CD1-CG1 3.86Å; Y943-V954 HydrophobicContact CD2-CG1 3.99Å; Y943-V954 HydrophobicContact CE1-CG1 3.71Å; Y943-V954 HydrophobicContact CE2-CG1 3.82Å; Y943-V954 HydrophobicContact CG-CG1 4.04Å; E950-V954 WeakPolarHBondContact O-CG2 3.5Å; E950-V954 PolarHBondContact O-N 3.06Å; C952-V954 PolarHBondContact O-N 2.64Å; V954-A957 PolarHBondContact O-N 2.98Å; V954-C958 VanDerWaalsContact O-CB 3.26Å; V954-C958 WeakPolarHBondContact O-CB 3.5Å; V954-C958 PolarHBondContact O-N 3.37Å; V954-L964 HydrophobicContact CG1-CB 4.17Å; V954-L964 HydrophobicContact CG1-CD2 4.27Å |
| 955 | K | 90.8 | Very high | 86.7 | Confident | 63 Ų | 63 | 31 Ų | 31 | 27% | 0.274 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -65.4 | -40.4 | 174.4 | -75.8 | 175 | -179.2 | -178.1 | 0 | 112.2 | F940 Y943 I951 C952 C958 K959 | F940-K955 HydrophobicContact CD1-CB 4.32Å; F940-K955 HydrophobicContact CD1-CD 4.49Å; F940-K955 HydrophobicContact CD1-CG 3.84Å; F940-K955 HydrophobicContact CE1-CB 4.31Å; F940-K955 HydrophobicContact CE1-CG 4.32Å; F940-K955 WeakPolarHBondContact O-CE 3.34Å; F940-K955 PolarHBondContact O-NZ 2.95Å; Y943-K955 HydrophobicContact CD2-CG 3.96Å; I951-K955 HydrophobicContact CG2-CD 3.87Å; I951-K955 VanDerWaalsContact CG2-CE 3.44Å; I951-K955 HydrophobicContact CG2-CG 4.46Å; I951-K955 VanDerWaalsContact O-CB 3.29Å; I951-K955 WeakPolarHBondContact O-CB 3.42Å; I951-K955 WeakPolarHBondContact O-CG 3.42Å; I951-K955 PolarHBondContact O-N 3.17Å; C952-K955 PolarHBondContact O-N 3.16Å; K955-C958 PolarHBondContact O-N 3.18Å; K955-K959 WeakPolarHBondContact O-CG 3.27Å; K955-K959 PolarHBondContact O-N 3.15Å |
| 956 | E | 91.8 | Very high | 86.8 | Confident | 7 Ų | 7 | 32.1 Ų | 32.1 | 3% | 0.033 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.4 | -44.1 | 173.9 | -173.1 | 60.5 | -154.2 | 0 | 0 | 111.7 | F412 C952 L953 C958 K959 R960 | F412-E956 HydrophobicContact CB-CB 4.17Å; F412-E956 HydrophobicContact CB-CG 4.34Å; F412-E956 HydrophobicContact CD1-CB 4.48Å; F412-E956 HydrophobicContact CD1-CG 3.83Å; F412-E956 HydrophobicContact CD2-CB 4.11Å; F412-E956 HydrophobicContact CD2-CG 4.22Å; F412-E956 HydrophobicContact CE1-CG 4.15Å; F412-E956 HydrophobicContact CG-CB 4.01Å; F412-E956 HydrophobicContact CG-CG 3.87Å; F412-E956 HydrophobicContact CZ-CG 4.47Å; C952-E956 PolarHBondContact O-N 3.17Å; L953-E956 PolarHBondContact O-N 3.08Å; E956-C958 VanDerWaalsContact C-N 3.28Å; E956-C958 PolarHBondContact O-N 3.35Å; E956-K959 WeakPolarHBondContact O-CB 3.33Å; E956-K959 PolarHBondContact O-N 3.31Å; E956-K959 VanDerWaalsContact O-N 3.16Å; E956-K959 WeakPolarHBondContact OE2-CD 3.46Å; E956-K959 VanDerWaalsContact OE2-CE 3.32Å; E956-K959 WeakPolarHBondContact OE2-CE 3.41Å; E956-K959 IonicContact OE2-NZ 2.88Å; E956-K959 PolarHBondContact OE2-NZ 3.35Å; E956-R960 WeakPolarHBondContact O-CG 3.38Å; E956-R960 PolarHBondContact O-N 3.38Å; E956-R960 VanDerWaalsContact O-N 3.11Å; E956-R960 IonicContact OE1-CZ 3.72Å; E956-R960 IonicContact OE1-NE 2.68Å; E956-R960 PolarHBondContact OE1-NE 3.04Å; E956-R960 IonicContact OE1-NH2 2.69Å; E956-R960 PolarHBondContact OE1-NH2 3.26Å |
| 957 | A | 91.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -56.5 | -44.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L552 A553 L953 V954 K959 R960 N961 Y962 | L552-A957 HydrophobicContact CB-CB 4Å; A553-A957 HydrophobicContact CB-CB 4.07Å; L953-A957 PolarHBondContact O-N 3.01Å; V954-A957 PolarHBondContact O-N 2.98Å; A957-K959 PolarHBondContact O-N 3Å; A957-R960 CarbonylContact O-C 3.4Å; A957-R960 WeakPolarHBondContact O-CA 3.32Å; A957-R960 WeakPolarHBondContact O-CB 3.23Å; A957-R960 PolarHBondContact O-N 3.32Å; A957-N961 PolarHBondContact O-N 3.01Å; A957-Y962 CarbonylContact C-O 3.55Å; A957-Y962 WeakPolarHBondContact O-CA 3.33Å; A957-Y962 WeakPolarHBondContact O-CB 3.48Å; A957-Y962 PolarHBondContact O-N 3.1Å |
| 958 | C | 90.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.7 | -38.2 | 177.1 | -178.3 | 0 | 0 | 0 | 0 | 112.9 | F940 Y943 V954 K955 E956 R960 N961 Y962 K963 | F940-C958 HydrophobicContact CE1-CB 3.95Å; Y943-C958 HydrophobicContact CE2-CB 4.01Å; V954-C958 VanDerWaalsContact O-CB 3.26Å; V954-C958 WeakPolarHBondContact O-CB 3.5Å; V954-C958 PolarHBondContact O-N 3.37Å; K955-C958 PolarHBondContact O-N 3.18Å; E956-C958 VanDerWaalsContact C-N 3.28Å; E956-C958 PolarHBondContact O-N 3.35Å; C958-R960 PolarHBondContact O-N 3.36Å; C958-N961 WeakPolarHBondContact O-CA 3.23Å; C958-N961 PolarHBondContact O-N 3.17Å; C958-Y962 WeakPolarHBondContact CA-O 3.34Å; C958-Y962 PolarHBondContact N-O 2.83Å; C958-K963 HydrophobicContact CB-CG 4.45Å |
| 959 | K | 88.3 | Confident | 86.7 | Confident | 118 Ų | 118 | 33.2 Ų | 33.2 | 51% | 0.513 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -58.7 | -33.3 | 169.8 | -70.8 | -178.7 | -142.1 | 159.8 | 0 | 112.1 | F940 K955 E956 A957 N961 | F940-K959 HydrophobicContact CE1-CG 4.49Å; F940-K959 HydrophobicContact CZ-CG 3.76Å; K955-K959 WeakPolarHBondContact O-CG 3.27Å; K955-K959 PolarHBondContact O-N 3.15Å; E956-K959 WeakPolarHBondContact O-CB 3.33Å; E956-K959 PolarHBondContact O-N 3.31Å; E956-K959 VanDerWaalsContact O-N 3.16Å; E956-K959 WeakPolarHBondContact OE2-CD 3.46Å; E956-K959 VanDerWaalsContact OE2-CE 3.32Å; E956-K959 WeakPolarHBondContact OE2-CE 3.41Å; E956-K959 IonicContact OE2-NZ 2.88Å; E956-K959 PolarHBondContact OE2-NZ 3.35Å; A957-K959 PolarHBondContact O-N 3Å; K959-N961 PolarHBondContact O-N 3.48Å |
| 960 | R | 88.1 | Confident | 86.5 | Confident | 110 Ų | 110 | 37.4 Ų | 37.4 | 42% | 0.415 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 13.3 | 175.5 | -54 | -62.2 | 174 | 139.8 | 1.7 | 113.4 | F549 E956 A957 C958 Y962 | F549-R960 HydrophobicContact CD1-CB 4.26Å; F549-R960 HydrophobicContact CD1-CG 3.98Å; F549-R960 HydrophobicContact CE1-CB 4.43Å; F549-R960 HydrophobicContact CE1-CG 3.68Å; F549-R960 HydrophobicContact CZ-CG 4Å; E956-R960 WeakPolarHBondContact O-CG 3.38Å; E956-R960 PolarHBondContact O-N 3.38Å; E956-R960 VanDerWaalsContact O-N 3.11Å; E956-R960 IonicContact OE1-CZ 3.72Å; E956-R960 IonicContact OE1-NE 2.68Å; E956-R960 PolarHBondContact OE1-NE 3.04Å; E956-R960 IonicContact OE1-NH2 2.69Å; E956-R960 PolarHBondContact OE1-NH2 3.26Å; A957-R960 CarbonylContact O-C 3.4Å; A957-R960 WeakPolarHBondContact O-CA 3.32Å; A957-R960 WeakPolarHBondContact O-CB 3.23Å; A957-R960 PolarHBondContact O-N 3.32Å; C958-R960 PolarHBondContact O-N 3.36Å; R960-Y962 VanDerWaalsContact C-N 3.29Å; R960-Y962 HydrophobicContact CB-CD2 4.27Å; R960-Y962 WeakPolarHBondContact O-CD2 3.31Å; R960-Y962 PolarHBondContact O-N 2.86Å |
| 961 | N | 87.4 | Confident | 86.3 | Confident | 74 Ų | 74 | 38.5 Ų | 38.5 | 40% | 0.396 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 16.7 | -176.5 | -66.6 | -60.4 | 0 | 0 | 0 | 116.4 | A957 C958 K959 K963 W975 P977 | A957-N961 PolarHBondContact O-N 3.01Å; C958-N961 WeakPolarHBondContact O-CA 3.23Å; C958-N961 PolarHBondContact O-N 3.17Å; K959-N961 PolarHBondContact O-N 3.48Å; N961-K963 PolarHBondContact O-N 2.89Å; N961-K963 WeakPolarHBondContact OD1-CE 3.39Å; N961-K963 PolarHBondContact OD1-NZ 2.84Å; N961-W975 VanDerWaalsContact O-O 3.1Å; N961-P977 HydrophobicContact CB-CB 4.27Å; N961-P977 HydrophobicContact CB-CG 3.99Å |
| 962 | Y | 91.1 | Very high | 86.4 | Confident | 26 Ų | 26 | 36.8 Ų | 36.8 | 10% | 0.102 | 18% | 0.181 | C | C | . | . | trans | -92 | 83.8 | 164.6 | -70.6 | -101.8 | 0 | 0 | 0 | 108.6 | Q546 F549 L550 A957 C958 R960 L976 P977 | Q546-Y962 WeakPolarHBondContact CA-OH 3.36Å; Q546-Y962 WeakPolarHBondContact CB-OH 3.36Å; Q546-Y962 VanDerWaalsContact CG-OH 3.32Å; Q546-Y962 WeakPolarHBondContact CG-OH 3.07Å; F549-Y962 HydrophobicContact CB-CD1 4.24Å; F549-Y962 HydrophobicContact CB-CD2 3.63Å; F549-Y962 HydrophobicContact CB-CE1 4.29Å; F549-Y962 HydrophobicContact CB-CE2 3.69Å; F549-Y962 HydrophobicContact CB-CG 3.93Å; F549-Y962 HydrophobicContact CG-CD2 4.41Å; F549-Y962 HydrophobicContact CG-CE2 4.42Å; L550-Y962 HydrophobicContact CB-CD1 4.42Å; L550-Y962 HydrophobicContact CB-CE1 4.34Å; A957-Y962 CarbonylContact C-O 3.55Å; A957-Y962 WeakPolarHBondContact O-CA 3.33Å; A957-Y962 WeakPolarHBondContact O-CB 3.48Å; A957-Y962 PolarHBondContact O-N 3.1Å; C958-Y962 WeakPolarHBondContact CA-O 3.34Å; C958-Y962 PolarHBondContact N-O 2.83Å; R960-Y962 VanDerWaalsContact C-N 3.29Å; R960-Y962 HydrophobicContact CB-CD2 4.27Å; R960-Y962 WeakPolarHBondContact O-CD2 3.31Å; R960-Y962 PolarHBondContact O-N 2.86Å; Y962-L976 HydrophobicContact CD1-CD2 3.74Å; Y962-L976 HydrophobicContact CE1-CD2 4.08Å; Y962-P977 HydrophobicContact CD2-CG 3.93Å; Y962-P977 HydrophobicContact CE2-CG 3.61Å | ||
| 963 | K | 90.7 | Very high | 86.2 | Confident | 13 Ų | 13 | 37 Ų | 37 | 6% | 0.057 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 119.8 | -168.1 | -39.5 | -167.8 | -177.8 | -173.2 | 0 | 110.5 | C932 D936 L939 C958 N961 L965 L974 W975 | C932-K963 HydrophobicContact CB-CD 4.31Å; D936-K963 IonicContact OD1-NZ 3.86Å; D936-K963 PolarHBondContact OD1-NZ 2.82Å; L939-K963 HydrophobicContact CD1-CB 4.07Å; L939-K963 HydrophobicContact CD1-CD 3.96Å; C958-K963 HydrophobicContact CB-CG 4.45Å; N961-K963 PolarHBondContact O-N 2.89Å; N961-K963 WeakPolarHBondContact OD1-CE 3.39Å; N961-K963 PolarHBondContact OD1-NZ 2.84Å; K963-L965 HydrophobicContact CB-CD2 4.29Å; K963-L974 CarbonylContact O-C 3.56Å; K963-L974 WeakPolarHBondContact O-CA 3.01Å; K963-W975 HydrophobicContact CB-CB 4.02Å; K963-W975 HydrophobicContact CG-CB 4.3Å; K963-W975 PolarHBondContact N-O 2.93Å; K963-W975 PolarHBondContact O-N 2.73Å |
| 964 | L | 89.9 | Confident | 86.1 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 125.2 | 167.3 | 175.1 | 63.3 | 0 | 0 | 0 | 108.7 | A558 V560 Y943 V954 I972 L974 | A558-L964 HydrophobicContact CB-CD2 3.93Å; A558-L964 WeakPolarHBondContact O-CD2 3.3Å; V560-L964 HydrophobicContact CG2-CG 4.38Å; Y943-L964 HydrophobicContact CE1-CB 3.85Å; Y943-L964 HydrophobicContact CE1-CD2 4.31Å; Y943-L964 HydrophobicContact CE1-CG 4.22Å; Y943-L964 VanDerWaalsContact CE1-O 3.26Å; Y943-L964 WeakPolarHBondContact CE1-O 3.48Å; Y943-L964 PolarHBondContact OH-N 2.96Å; Y943-L964 PolarHBondContact OH-O 2.95Å; V954-L964 HydrophobicContact CG1-CB 4.17Å; V954-L964 HydrophobicContact CG1-CD2 4.27Å; L964-I972 HydrophobicContact CD1-CG2 3.38Å; L964-L974 HydrophobicContact CB-CD2 4.39Å; L964-L974 HydrophobicContact CD1-CD2 4.01Å |
| 965 | L | 85.7 | Confident | 85.9 | Confident | 17 Ų | 17 | 38 Ų | 38 | 9% | 0.089 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | -39.4 | -178.6 | -57.5 | -179.4 | 0 | 0 | 0 | 112.4 | V560 L934 L939 K963 L973 W975 L981 | V560-L965 WeakPolarHBondContact CG2-O 3.33Å; L934-L965 HydrophobicContact CD1-CD2 4.34Å; L939-L965 HydrophobicContact CD1-CD2 4.21Å; L939-L965 HydrophobicContact CD2-CD2 4.2Å; K963-L965 HydrophobicContact CB-CD2 4.29Å; L965-L973 HydrophobicContact CB-CD2 4.5Å; L965-L973 HydrophobicContact CB-CG 4.49Å; L965-L973 PolarHBondContact N-O 3.19Å; L965-W975 HydrophobicContact CD1-CB 4.2Å; L965-W975 HydrophobicContact CG-CB 4.46Å; L965-L981 HydrophobicContact CD1-CD1 3.44Å; L965-L981 VanDerWaalsContact CD1-CD1 3.44Å |
| 966 | Q | 82.5 | Confident | 85.7 | Confident | 34 Ų | 34 | 35.2 Ų | 35.2 | 16% | 0.159 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 147 | 176.8 | -160.5 | -178.5 | 15.7 | 0 | 0 | 109.4 | L973 | Q966-L973 HydrophobicContact CB-CB 3.95Å; Q966-L973 HydrophobicContact CB-CD2 4.37Å; Q966-L973 PolarHBondContact N-O 2.93Å; Q966-L973 PolarHBondContact O-N 2.8Å |
| 967 | R | 81.6 | Confident | 85.2 | Confident | 37 Ų | 37 | 38 Ų | 38 | 14% | 0.14 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 117.4 | 170.2 | 171.1 | -178.6 | -68.1 | -82.2 | -1.3 | 107.9 | I554 N556 A558 V559 I972 | I554-R967 PolarHBondContact O-NH2 2.76Å; N556-R967 PolarHBondContact O-NH1 2.84Å; N556-R967 PolarHBondContact O-NH2 3.25Å; N556-R967 PolarHBondContact OD1-NH2 2.98Å; A558-R967 VanDerWaalsContact O-CD 3.26Å; A558-R967 WeakPolarHBondContact O-CD 3.39Å; A558-R967 PolarHBondContact O-NE 3.32Å; V559-R967 HydrophobicContact CG1-CB 4.44Å; R967-I972 HydrophobicContact CG-CG1 4.47Å |
| 968 | G | 71.7 | Confident | 84.5 | Confident | 23 Ų | 23 | 44.3 Ų | 44.3 | 24% | 0.237 | 22% | 0.219 | C | C | . | . | trans | -93.1 | -170.1 | 165 | 0 | 0 | 0 | 0 | 0 | 111.3 | F971 | G968-F971 PolarHBondContact N-O 3.39Š| ||
| 969 | V | 69.5 | Low | 83.7 | Confident | 88 Ų | 88 | 47.4 Ų | 47.4 | 53% | 0.533 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -69.9 | -51.4 | 175.5 | -172.6 | 0 | 0 | 0 | 0 | 110.4 | T165 | T165-V969 HydrophobicContact CG2-CG1 4.43Å; T165-V969 HydrophobicContact CG2-CG2 3.81Å |
| 970 | D | 77.1 | Confident | 83.4 | Confident | 109 Ų | 109 | 42.1 Ų | 42.1 | 58% | 0.583 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -107.2 | 1 | -173 | -52 | -43.4 | 0 | 0 | 0 | 113.5 | V986 | D970-V986 PolarHBondContact O-N 3.09Š|
| 971 | F | 83.4 | Confident | 83.1 | Confident | 38 Ų | 38 | 39.9 Ų | 39.9 | 17% | 0.167 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 154.1 | -177 | 75.9 | -89.5 | 0 | 0 | 0 | 113.3 | L915 G968 I984 | L915-F971 HydrophobicContact CD1-CD2 4.37Å; L915-F971 HydrophobicContact CD1-CE2 4.07Å; L915-F971 HydrophobicContact CD2-CD1 4.27Å; L915-F971 HydrophobicContact CD2-CD2 4.03Å; L915-F971 HydrophobicContact CD2-CE1 4.05Å; L915-F971 HydrophobicContact CD2-CE2 3.82Å; L915-F971 HydrophobicContact CD2-CG 4.27Å; L915-F971 HydrophobicContact CD2-CZ 3.83Å; G968-F971 PolarHBondContact N-O 3.39Å; F971-I984 CarbonylContact C-O 3.38Å; F971-I984 VanDerWaalsContact CA-O 3.29Å; F971-I984 WeakPolarHBondContact CA-O 3.3Å |
| 972 | I | 87.7 | Confident | 83 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 131.4 | 170.7 | -56 | 166.6 | 0 | 0 | 0 | 109.2 | I554 L964 R967 L974 C983 I984 V986 I1001 | I554-I972 HydrophobicContact CB-CD1 3.87Å; I554-I972 HydrophobicContact CG2-CD1 3.83Å; I554-I972 HydrophobicContact CG2-CG2 4.1Å; L964-I972 HydrophobicContact CD1-CG2 3.38Å; R967-I972 HydrophobicContact CG-CG1 4.47Å; I972-L974 HydrophobicContact CG2-CD2 3.77Å; I972-L974 HydrophobicContact CG2-CG 4.21Å; I972-C983 WeakPolarHBondContact O-CA 3.34Å; I972-I984 PolarHBondContact N-O 3.27Å; I972-I984 PolarHBondContact O-N 3.08Å; I972-V986 HydrophobicContact CD1-CG2 3.66Å; I972-V986 HydrophobicContact CG1-CG2 3.7Å; I972-I1001 HydrophobicContact CD1-CD1 3.9Å |
| 973 | L | 87.2 | Confident | 82.6 | Confident | 16 Ų | 16 | 36.1 Ų | 36.1 | 8% | 0.084 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 121.2 | 176 | -167 | 68.8 | 0 | 0 | 0 | 109.9 | V905 L915 L965 Q966 L981 C983 | V905-L973 HydrophobicContact CG2-CD1 4.33Å; L915-L973 HydrophobicContact CD1-CD1 4.18Å; L965-L973 HydrophobicContact CB-CD2 4.5Å; L965-L973 HydrophobicContact CB-CG 4.49Å; L965-L973 PolarHBondContact N-O 3.19Å; Q966-L973 HydrophobicContact CB-CB 3.95Å; Q966-L973 HydrophobicContact CB-CD2 4.37Å; Q966-L973 PolarHBondContact N-O 2.93Å; Q966-L973 PolarHBondContact O-N 2.8Å; L973-L981 HydrophobicContact CD1-CD1 3.94Å; L973-L981 HydrophobicContact CD1-CD2 4.43Å; L973-L981 HydrophobicContact CD1-CG 4.04Å; L973-L981 HydrophobicContact CD2-CD1 4.15Å; L973-L981 HydrophobicContact CG-CD1 3.9Å; L973-C983 HydrophobicContact CD1-CB 4.01Å |
| 974 | L | 88.6 | Confident | 82.4 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 155 | -177.2 | -59.9 | -177.9 | 0 | 0 | 0 | 111.9 | L550 I554 K963 L964 I972 L976 L981 V982 I984 | L550-L974 HydrophobicContact CD1-CD1 3.59Å; I554-L974 HydrophobicContact CG2-CD1 3.74Å; I554-L974 HydrophobicContact CG2-CD2 3.96Å; I554-L974 HydrophobicContact CG2-CG 4.26Å; K963-L974 CarbonylContact O-C 3.56Å; K963-L974 WeakPolarHBondContact O-CA 3.01Å; L964-L974 HydrophobicContact CB-CD2 4.39Å; L964-L974 HydrophobicContact CD1-CD2 4.01Å; I972-L974 HydrophobicContact CG2-CD2 3.77Å; I972-L974 HydrophobicContact CG2-CG 4.21Å; L974-L976 HydrophobicContact CB-CD2 4.3Å; L974-L976 HydrophobicContact CD1-CD2 4.04Å; L974-L981 WeakPolarHBondContact O-CA 3.34Å; L974-V982 PolarHBondContact N-O 3.35Å; L974-V982 PolarHBondContact O-N 3.01Å; L974-I984 HydrophobicContact CD1-CD1 3.69Å |
| 975 | W | 88.4 | Confident | 82.1 | Confident | 22 Ų | 22 | 39.7 Ų | 39.7 | 8% | 0.083 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 126.8 | 152.7 | -170.3 | -84.7 | 0 | 0 | 0 | 109.5 | Q931 C932 N961 K963 L965 G980 L981 | Q931-W975 WeakPolarHBondContact O-CH2 3.41Å; C932-W975 HydrophobicContact CB-CD2 3.67Å; C932-W975 HydrophobicContact CB-CE3 4.07Å; C932-W975 HydrophobicContact CB-CG 3.85Å; N961-W975 VanDerWaalsContact O-O 3.1Å; K963-W975 HydrophobicContact CB-CB 4.02Å; K963-W975 HydrophobicContact CG-CB 4.3Å; K963-W975 PolarHBondContact N-O 2.93Å; K963-W975 PolarHBondContact O-N 2.73Å; L965-W975 HydrophobicContact CD1-CB 4.2Å; L965-W975 HydrophobicContact CG-CB 4.46Å; W975-G980 CarbonylContact C-O 3.56Å; W975-G980 WeakPolarHBondContact CA-O 3.31Å; W975-L981 HydrophobicContact CE3-CB 4.39Å; W975-L981 HydrophobicContact CZ3-CB 4.38Å |
| 976 | L | 86.8 | Confident | 82.1 | Confident | 6 Ų | 6 | 39.4 Ų | 39.4 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 150.7 | 175 | -61.2 | -174.2 | 0 | 0 | 0 | 111.7 | L550 Y962 L974 K978 D979 G980 V982 | L550-L976 HydrophobicContact CD1-CD2 4.17Å; Y962-L976 HydrophobicContact CD1-CD2 3.74Å; Y962-L976 HydrophobicContact CE1-CD2 4.08Å; L974-L976 HydrophobicContact CB-CD2 4.3Å; L974-L976 HydrophobicContact CD1-CD2 4.04Å; L976-K978 PolarHBondContact O-N 2.82Å; L976-D979 HydrophobicContact CB-CB 4.25Å; L976-D979 WeakPolarHBondContact CB-OD2 3.35Å; L976-G980 PolarHBondContact N-O 2.58Å; L976-G980 PolarHBondContact O-N 2.68Å; L976-G980 VanDerWaalsContact O-N 3.17Å; L976-V982 HydrophobicContact CD1-CB 4.23Å; L976-V982 HydrophobicContact CD1-CG2 3.93Å; L976-V982 HydrophobicContact CG-CB 4.44Å; L976-V982 HydrophobicContact CG-CG2 4.24Å |
| 977 | P | 81.2 | Confident | 82.4 | Confident | 64 Ų | 64 | 40.3 Ų | 40.3 | 42% | 0.416 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -29.2 | -172.5 | -20.7 | 32 | 0 | 0 | 0 | 115.5 | N961 Y962 | N961-P977 HydrophobicContact CB-CB 4.27Å; N961-P977 HydrophobicContact CB-CG 3.99Å; Y962-P977 HydrophobicContact CD2-CG 3.93Å; Y962-P977 HydrophobicContact CE2-CG 3.61Å |
| 978 | K | 77 | Confident | 82.7 | Confident | 134 Ų | 134 | 42.8 Ų | 42.8 | 58% | 0.583 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -21.7 | -175.5 | -66.7 | 175.3 | 179.3 | 172.6 | 0 | 112.6 | E542 L976 | E542-K978 IonicContact OE1-NZ 3.19Å; E542-K978 PolarHBondContact OE1-NZ 2.91Å; L976-K978 PolarHBondContact O-N 2.82Å |
| 979 | D | 74 | Confident | 83.4 | Confident | 64 Ų | 64 | 44.4 Ų | 44.4 | 34% | 0.342 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | -16.4 | -159.4 | -33.3 | -96.8 | 0 | 0 | 0 | 113.5 | L976 V982 Y1007 | L976-D979 HydrophobicContact CB-CB 4.25Å; L976-D979 WeakPolarHBondContact CB-OD2 3.35Å; D979-V982 HydrophobicContact CB-CG2 4.05Å; D979-Y1007 WeakPolarHBondContact OD1-CE1 3.46Å; D979-Y1007 PolarHBondContact OD1-OH 2.95Å; D979-Y1007 PolarHBondContact OD2-OH 2.82Å |
| 980 | G | 82.1 | Confident | 84.4 | Confident | 8 Ų | 8 | 40.2 Ų | 40.2 | 8% | 0.082 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 75.9 | -131.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | W975 L976 V982 | W975-G980 CarbonylContact C-O 3.56Å; W975-G980 WeakPolarHBondContact CA-O 3.31Å; L976-G980 PolarHBondContact N-O 2.58Å; L976-G980 PolarHBondContact O-N 2.68Å; L976-G980 VanDerWaalsContact O-N 3.17Å; G980-V982 PolarHBondContact O-N 2.84Å |
| 981 | L | 82 | Confident | 84.7 | Confident | 63 Ų | 63 | 38.2 Ų | 38.2 | 33% | 0.33 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 116.6 | -173.3 | -169.6 | 72.8 | 0 | 0 | 0 | 111.8 | L903 V905 L965 L973 L974 W975 | L903-L981 HydrophobicContact CD2-CD2 4.46Å; V905-L981 HydrophobicContact CG2-CD2 4.35Å; L965-L981 HydrophobicContact CD1-CD1 3.44Å; L965-L981 VanDerWaalsContact CD1-CD1 3.44Å; L973-L981 HydrophobicContact CD1-CD1 3.94Å; L973-L981 HydrophobicContact CD1-CD2 4.43Å; L973-L981 HydrophobicContact CD1-CG 4.04Å; L973-L981 HydrophobicContact CD2-CD1 4.15Å; L973-L981 HydrophobicContact CG-CD1 3.9Å; L974-L981 WeakPolarHBondContact O-CA 3.34Å; W975-L981 HydrophobicContact CE3-CB 4.39Å; W975-L981 HydrophobicContact CZ3-CB 4.38Å |
| 982 | V | 84.4 | Confident | 84.7 | Confident | 13 Ų | 13 | 41.8 Ų | 41.8 | 8% | 0.079 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 132 | -179 | 179.4 | 0 | 0 | 0 | 0 | 110.5 | L974 L976 D979 G980 I984 P1006 | L974-V982 PolarHBondContact N-O 3.35Å; L974-V982 PolarHBondContact O-N 3.01Å; L976-V982 HydrophobicContact CD1-CB 4.23Å; L976-V982 HydrophobicContact CD1-CG2 3.93Å; L976-V982 HydrophobicContact CG-CB 4.44Å; L976-V982 HydrophobicContact CG-CG2 4.24Å; D979-V982 HydrophobicContact CB-CG2 4.05Å; G980-V982 PolarHBondContact O-N 2.84Å; V982-I984 HydrophobicContact CG1-CG1 4.31Å; V982-P1006 HydrophobicContact CG1-CB 4.02Å; V982-P1006 HydrophobicContact CG1-CG 4.4Å |
| 983 | C | 83.8 | Confident | 84 | Confident | 8 Ų | 8 | 44 Ų | 44 | 5% | 0.054 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 131.4 | 170.6 | -170.6 | 0 | 0 | 0 | 0 | 110 | V905 I972 L973 | V905-C983 HydrophobicContact CG1-CB 3.99Å; I972-C983 WeakPolarHBondContact O-CA 3.34Å; L973-C983 HydrophobicContact CD1-CB 4.01Å |
| 984 | I | 86.1 | Confident | 83.1 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.015 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 126.4 | 179.4 | -65.4 | -179.1 | 0 | 0 | 0 | 109.1 | L550 I554 F971 I972 L974 V982 F1003 P1006 | L550-I984 HydrophobicContact CD1-CD1 4.33Å; I554-I984 HydrophobicContact CD1-CD1 4.47Å; F971-I984 CarbonylContact C-O 3.38Å; F971-I984 VanDerWaalsContact CA-O 3.29Å; F971-I984 WeakPolarHBondContact CA-O 3.3Å; I972-I984 PolarHBondContact N-O 3.27Å; I972-I984 PolarHBondContact O-N 3.08Å; L974-I984 HydrophobicContact CD1-CD1 3.69Å; V982-I984 HydrophobicContact CG1-CG1 4.31Å; I984-F1003 HydrophobicContact CG2-CB 3.83Å; I984-F1003 HydrophobicContact CG2-CD2 3.57Å; I984-F1003 HydrophobicContact CG2-CG 4.08Å; I984-P1006 HydrophobicContact CD1-CG 4.42Å |
| 985 | N | 83 | Confident | 82.3 | Confident | 85 Ų | 85 | 54.2 Ų | 54.2 | 46% | 0.455 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 123.9 | 169.2 | -98 | 35.8 | 0 | 0 | 0 | 110.7 | F1003 R1004 | N985-F1003 WeakPolarHBondContact O-CA 3.06Å; N985-F1003 WeakPolarHBondContact O-CB 3.32Å; N985-R1004 PolarHBondContact O-N 3.5Å |
| 986 | V | 86.3 | Confident | 82.1 | Confident | 11 Ų | 11 | 53.8 Ų | 53.8 | 7% | 0.067 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 130 | 171.8 | -177.9 | 0 | 0 | 0 | 0 | 108.3 | D970 I972 I989 I1001 | D970-V986 PolarHBondContact O-N 3.09Å; I972-V986 HydrophobicContact CD1-CG2 3.66Å; I972-V986 HydrophobicContact CG1-CG2 3.7Å; V986-I989 HydrophobicContact CG1-CD1 4.46Å; V986-I989 HydrophobicContact CG1-CG1 3.82Å; V986-I1001 HydrophobicContact CG1-CD1 3.97Å; V986-I1001 HydrophobicContact CG1-CG1 3.96Å; V986-I1001 HydrophobicContact CG2-CD1 4.08Å |
| 987 | L | 88.1 | Confident | 82 | Confident | 52 Ų | 52 | 58 Ų | 58 | 27% | 0.272 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | -36.1 | -179.5 | -63.2 | 170.2 | 0 | 0 | 0 | 111.6 | I1002 R1004 P1011 L1067 | L987-I1002 HydrophobicContact CB-CB 4.23Å; L987-I1002 HydrophobicContact CB-CG2 3.96Å; L987-I1002 HydrophobicContact CD1-CG2 3.97Å; L987-I1002 PolarHBondContact N-O 3.31Å; L987-R1004 HydrophobicContact CD1-CG 3.94Å; L987-P1011 HydrophobicContact CD1-CB 4.14Å; L987-L1067 HydrophobicContact CD1-CD2 3.82Å |
| 988 | R | 88 | Confident | 82.5 | Confident | 90 Ų | 90 | 55.1 Ų | 55.1 | 34% | 0.34 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 146.2 | 170.1 | -146 | 69 | 173 | -176.3 | -3.5 | 111 | I1002 W1070 E1078 | R988-I1002 HydrophobicContact CB-CB 4.46Å; R988-I1002 HydrophobicContact CB-CD1 4.11Å; R988-I1002 HydrophobicContact CB-CG1 4.45Å; R988-I1002 PolarHBondContact N-O 3.3Å; R988-I1002 PolarHBondContact O-N 3.2Å; R988-W1070 HydrophobicContact CB-CZ3 4.24Å; R988-W1070 HydrophobicContact CG-CH2 4.23Å; R988-W1070 HydrophobicContact CG-CZ3 4.19Å; R988-E1078 IonicContact CZ-OE1 3.98Å; R988-E1078 IonicContact CZ-OE2 2.94Å; R988-E1078 IonicContact NH2-OE1 3.73Å; R988-E1078 PolarHBondContact NH2-OE1 3.04Å; R988-E1078 IonicContact NH2-OE2 3.8Å; R988-E1078 PolarHBondContact NH2-OE2 3.26Å |
| 989 | I | 86.9 | Confident | 83.2 | Confident | 56 Ų | 56 | 48.8 Ų | 48.8 | 29% | 0.287 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 134.7 | 164.5 | -59.3 | 179 | 0 | 0 | 0 | 108.2 | V986 P991 M999 I1001 | V986-I989 HydrophobicContact CG1-CD1 4.46Å; V986-I989 HydrophobicContact CG1-CG1 3.82Å; I989-P991 WeakPolarHBondContact O-CD 3.21Å; I989-M999 HydrophobicContact CG2-CE 3.59Å; I989-I1001 HydrophobicContact CG1-CD1 4.22Å; I989-I1001 HydrophobicContact CG1-CG1 4.24Å |
| 990 | L | 90 | Very high | 84.1 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 89.1 | 173.4 | -70.6 | 174.6 | 0 | 0 | 0 | 107.4 | S1000 L1013 W1070 M1092 L1095 E1096 | L990-S1000 WeakPolarHBondContact CA-O 3.37Å; L990-S1000 WeakPolarHBondContact CB-O 3.46Å; L990-S1000 PolarHBondContact N-O 3.39Å; L990-S1000 PolarHBondContact O-N 3.19Å; L990-L1013 HydrophobicContact CD1-CD1 4.17Å; L990-W1070 HydrophobicContact CD1-CH2 4.46Å; L990-W1070 HydrophobicContact CD1-CZ2 4.43Å; L990-W1070 HydrophobicContact CD2-CH2 3.77Å; L990-W1070 HydrophobicContact CD2-CZ2 3.89Å; L990-W1070 HydrophobicContact CG-CH2 4.39Å; L990-M1092 HydrophobicContact CD2-CE 3.63Å; L990-M1092 HydrophobicContact CD2-CG 3.73Å; L990-M1092 HydrophobicContact CD2-SD 4.04Å; L990-L1095 HydrophobicContact CD1-CD2 4.22Å; L990-E1096 HydrophobicContact CD1-CG 4.25Å |
| 991 | P | 83.1 | Confident | 84.7 | Confident | 67 Ų | 67 | 45.3 Ų | 45.3 | 44% | 0.435 | 23% | 0.231 | S | C | . | . | trans | -60.7 | 160.9 | -166.4 | 25.1 | -35.4 | 0 | 0 | 0 | 112.4 | I989 R996 | I989-P991 WeakPolarHBondContact O-CD 3.21Å; P991-R996 PolarHBondContact O-NH1 2.95Å | ||
| 992 | F | 83.9 | Confident | 85.2 | Confident | 113 Ų | 113 | 42.3 Ų | 42.3 | 50% | 0.496 | 22% | 0.215 | S | C | . | . | trans | -65.7 | 135.7 | 175.7 | -176.8 | -92.1 | 0 | 0 | 0 | 111 | M999 | F992-M999 HydrophobicContact CB-CB 4.24Š| ||
| 993 | D | 73.4 | Confident | 85.6 | Confident | 47 Ų | 47 | 41.7 Ų | 41.7 | 25% | 0.251 | 21% | 0.212 | S | C | . | . | trans | -130.6 | 139.3 | 166.9 | 157.6 | 43.9 | 0 | 0 | 0 | 110.2 | Q995 R996 K997 | D993-Q995 VanDerWaalsContact CG-N 3.25Å; D993-Q995 PolarHBondContact O-N 3.38Å; D993-Q995 PolarHBondContact OD1-N 2.91Å; D993-Q995 VanDerWaalsContact OD2-CB 3.25Å; D993-Q995 WeakPolarHBondContact OD2-CB 3.48Å; D993-Q995 PolarHBondContact OD2-N 2.95Å; D993-R996 HydrophobicContact CB-CB 4.37Å; D993-R996 PolarHBondContact O-N 2.75Å; D993-R996 PolarHBondContact OD2-N 2.8Å; D993-R996 VanDerWaalsContact OD2-N 3.11Å; D993-K997 WeakPolarHBondContact O-CA 3.29Å; D993-K997 PolarHBondContact O-N 2.94Å | ||
| 994 | S | 67.2 | Low | 85.6 | Confident | 90 Ų | 90 | 44.4 Ų | 44.4 | 63% | 0.629 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -45.2 | -34.3 | 169.2 | 64.8 | 0 | 0 | 0 | 0 | 115.8 | K997 | S994-K997 WeakPolarHBondContact O-CG 3.4Š|
| 995 | Q | 72.5 | Confident | 85.4 | Confident | 141 Ų | 141 | 45.3 Ų | 45.3 | 66% | 0.659 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -49.1 | 176.1 | -48.9 | -166.3 | 19.5 | 0 | 0 | 111.6 | D993 K997 | D993-Q995 VanDerWaalsContact CG-N 3.25Å; D993-Q995 PolarHBondContact O-N 3.38Å; D993-Q995 PolarHBondContact OD1-N 2.91Å; D993-Q995 VanDerWaalsContact OD2-CB 3.25Å; D993-Q995 WeakPolarHBondContact OD2-CB 3.48Å; D993-Q995 PolarHBondContact OD2-N 2.95Å; Q995-K997 VanDerWaalsContact C-N 3.33Å; Q995-K997 PolarHBondContact O-N 2.9Å |
| 996 | R | 84.5 | Confident | 84.9 | Confident | 14 Ų | 14 | 42.2 Ų | 42.2 | 5% | 0.053 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -30 | 177.5 | -82.2 | 173.5 | 50.7 | -111 | -4.2 | 113.7 | P991 D993 R998 S1021 M1089 E1096 | P991-R996 PolarHBondContact O-NH1 2.95Å; D993-R996 HydrophobicContact CB-CB 4.37Å; D993-R996 PolarHBondContact O-N 2.75Å; D993-R996 PolarHBondContact OD2-N 2.8Å; D993-R996 VanDerWaalsContact OD2-N 3.11Å; R996-R998 HydrophobicContact CB-CG 4.3Å; R996-R998 PolarHBondContact O-N 2.75Å; R996-R998 PolarHBondContact O-NH1 2.81Å; R996-S1021 PolarHBondContact O-OG 2.91Å; R996-M1089 HydrophobicContact CG-CG 4.49Å; R996-E1096 IonicContact CZ-OE1 3.73Å; R996-E1096 IonicContact CZ-OE2 3.46Å; R996-E1096 IonicContact NE-OE1 3.88Å; R996-E1096 IonicContact NE-OE2 3.99Å; R996-E1096 PolarHBondContact NE-OE2 3.16Å; R996-E1096 IonicContact NH2-OE1 3.15Å; R996-E1096 PolarHBondContact NH2-OE1 3.35Å; R996-E1096 IonicContact NH2-OE2 2.67Å; R996-E1096 PolarHBondContact NH2-OE2 3.44Å |
| 997 | K | 84.7 | Confident | 84.1 | Confident | 94 Ų | 94 | 46.7 Ų | 46.7 | 41% | 0.409 | 23% | 0.226 | S | C | . | . | trans | 54 | 30.1 | -179.5 | -55.8 | 171.1 | -169.5 | 164.3 | 0 | 114.6 | D993 S994 Q995 G1017 A1018 | D993-K997 WeakPolarHBondContact O-CA 3.29Å; D993-K997 PolarHBondContact O-N 2.94Å; S994-K997 WeakPolarHBondContact O-CG 3.4Å; Q995-K997 VanDerWaalsContact C-N 3.33Å; Q995-K997 PolarHBondContact O-N 2.9Å; K997-G1017 WeakPolarHBondContact O-CA 3.32Å; K997-A1018 HydrophobicContact CB-CB 4.22Å; K997-A1018 PolarHBondContact O-N 3.08Å | ||
| 998 | R | 90.9 | Very high | 83.7 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 1% | 0.011 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 156.1 | -179.2 | 66.6 | -170.2 | 177.8 | -103.5 | -0.8 | 110.2 | R996 K1016 S1021 D1093 E1096 | R996-R998 HydrophobicContact CB-CG 4.3Å; R996-R998 PolarHBondContact O-N 2.75Å; R996-R998 PolarHBondContact O-NH1 2.81Å; R998-K1016 CarbonylContact C-O 3.56Å; R998-K1016 WeakPolarHBondContact CA-O 3.3Å; R998-K1016 VanDerWaalsContact CB-O 3.3Å; R998-K1016 WeakPolarHBondContact CB-O 3.37Å; R998-S1021 PolarHBondContact NH1-OG 2.97Å; R998-D1093 IonicContact CZ-OD1 2.69Å; R998-D1093 IonicContact NH1-OD1 3.71Å; R998-D1093 IonicContact NH2-OD1 2.7Å; R998-D1093 PolarHBondContact NH2-OD1 3.03Å; R998-E1096 IonicContact CZ-OE2 2.76Å; R998-E1096 IonicContact NE-OE1 2.86Å; R998-E1096 PolarHBondContact NE-OE1 2.81Å; R998-E1096 IonicContact NE-OE2 2.69Å; R998-E1096 PolarHBondContact NE-OE2 2.8Å; R998-E1096 IonicContact NH2-OE2 2.85Å; R998-E1096 PolarHBondContact NH2-OE2 2.94Å |
| 999 | M | 91.7 | Very high | 83.3 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 144.1 | 169.7 | -177.9 | -169.1 | -177.7 | 0 | 0 | 107.6 | N556 T557 I989 F992 T1015 K1016 | N556-M999 WeakPolarHBondContact O-CE 3.31Å; T557-M999 HydrophobicContact CG2-CE 3.49Å; T557-M999 VanDerWaalsContact CG2-CE 3.49Å; T557-M999 HydrophobicContact CG2-SD 4.14Å; I989-M999 HydrophobicContact CG2-CE 3.59Å; F992-M999 HydrophobicContact CB-CB 4.24Å; M999-T1015 WeakPolarHBondContact O-CA 3.16Å; M999-T1015 PolarHBondContact O-OG1 3.47Å; M999-K1016 HydrophobicContact CB-CG 4.37Å; M999-K1016 PolarHBondContact N-O 3.46Å; M999-K1016 PolarHBondContact O-N 2.71Å |
| 1000 | S | 94.3 | Very high | 83.2 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 156.3 | 175.5 | -46.9 | 0 | 0 | 0 | 0 | 111.5 | L990 F1014 T1015 E1096 | L990-S1000 WeakPolarHBondContact CA-O 3.37Å; L990-S1000 WeakPolarHBondContact CB-O 3.46Å; L990-S1000 PolarHBondContact N-O 3.39Å; L990-S1000 PolarHBondContact O-N 3.19Å; S1000-F1014 CarbonylContact C-O 3.45Å; S1000-F1014 WeakPolarHBondContact CA-O 3.45Å; S1000-F1014 VanDerWaalsContact CB-O 3.26Å; S1000-F1014 WeakPolarHBondContact CB-O 3.14Å; S1000-T1015 VanDerWaalsContact OG-CB 3.26Å; S1000-T1015 WeakPolarHBondContact OG-CB 3.42Å; S1000-T1015 PolarHBondContact OG-OG1 3.33Å; S1000-E1096 WeakPolarHBondContact CB-OE1 3.3Å; S1000-E1096 PolarHBondContact OG-OE1 3.38Å |
| 1001 | I | 93.2 | Very high | 83.3 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 133.9 | 177.8 | -171.7 | 167 | 0 | 0 | 0 | 110.2 | C555 I972 V986 I989 L1013 F1014 | C555-I1001 HydrophobicContact CB-CG2 3.92Å; I972-I1001 HydrophobicContact CD1-CD1 3.9Å; V986-I1001 HydrophobicContact CG1-CD1 3.97Å; V986-I1001 HydrophobicContact CG1-CG1 3.96Å; V986-I1001 HydrophobicContact CG2-CD1 4.08Å; I989-I1001 HydrophobicContact CG1-CD1 4.22Å; I989-I1001 HydrophobicContact CG1-CG1 4.24Å; I1001-L1013 WeakPolarHBondContact O-CA 3.33Å; I1001-F1014 HydrophobicContact CG2-CB 4Å; I1001-F1014 PolarHBondContact N-O 3.33Å; I1001-F1014 PolarHBondContact O-N 3.16Å |
| 1002 | I | 93.5 | Very high | 83.7 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 126 | 174 | -49.2 | 177 | 0 | 0 | 0 | 107.6 | L987 R988 I1012 L1013 L1062 L1067 W1070 L1095 | L987-I1002 HydrophobicContact CB-CB 4.23Å; L987-I1002 HydrophobicContact CB-CG2 3.96Å; L987-I1002 HydrophobicContact CD1-CG2 3.97Å; L987-I1002 PolarHBondContact N-O 3.31Å; R988-I1002 HydrophobicContact CB-CB 4.46Å; R988-I1002 HydrophobicContact CB-CD1 4.11Å; R988-I1002 HydrophobicContact CB-CG1 4.45Å; R988-I1002 PolarHBondContact N-O 3.3Å; R988-I1002 PolarHBondContact O-N 3.2Å; I1002-I1012 WeakPolarHBondContact CA-O 3.32Å; I1002-L1013 HydrophobicContact CD1-CD1 4.43Å; I1002-L1013 HydrophobicContact CG1-CD1 3.65Å; I1002-L1062 HydrophobicContact CG2-CD1 4.25Å; I1002-L1067 HydrophobicContact CG2-CD1 4.02Å; I1002-W1070 HydrophobicContact CD1-CE3 4.05Å; I1002-W1070 HydrophobicContact CD1-CH2 4.1Å; I1002-W1070 HydrophobicContact CD1-CZ3 3.62Å; I1002-L1095 HydrophobicContact CD1-CD2 3.74Å |
| 1003 | F | 91.6 | Very high | 84.2 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 163.1 | 179.8 | 68.8 | -73.5 | 0 | 0 | 0 | 110.2 | I554 I984 N985 H1005 P1011 I1012 F1014 | I554-F1003 HydrophobicContact CD1-CD1 3.88Å; I554-F1003 HydrophobicContact CD1-CD2 3.95Å; I554-F1003 HydrophobicContact CD1-CE1 3.67Å; I554-F1003 HydrophobicContact CD1-CE2 3.72Å; I554-F1003 HydrophobicContact CD1-CG 4.04Å; I554-F1003 HydrophobicContact CD1-CZ 3.59Å; I984-F1003 HydrophobicContact CG2-CB 3.83Å; I984-F1003 HydrophobicContact CG2-CD2 3.57Å; I984-F1003 HydrophobicContact CG2-CG 4.08Å; N985-F1003 WeakPolarHBondContact O-CA 3.06Å; N985-F1003 WeakPolarHBondContact O-CB 3.32Å; F1003-H1005 HydrophobicContact CE2-CB 4.33Å; F1003-P1011 WeakPolarHBondContact O-CA 3.3Å; F1003-I1012 WeakPolarHBondContact CD1-O 3.39Å; F1003-I1012 HydrophobicContact CE1-CB 3.97Å; F1003-I1012 HydrophobicContact CE1-CG2 4.02Å; F1003-I1012 HydrophobicContact CZ-CB 4.07Å; F1003-I1012 HydrophobicContact CZ-CG2 4.23Å; F1003-I1012 PolarHBondContact N-O 3.15Å; F1003-I1012 VanDerWaalsContact N-O 3.08Å; F1003-I1012 PolarHBondContact O-N 2.93Å; F1003-F1014 HydrophobicContact CE1-CB 4.43Å; F1003-F1014 HydrophobicContact CE1-CD1 4.25Å; F1003-F1014 AromaticContact CE1-CD2 3.49Å; F1003-F1014 HydrophobicContact CE1-CD2 3.49Å; F1003-F1014 VanDerWaalsContact CE1-CD2 3.49Å; F1003-F1014 HydrophobicContact CE1-CE1 4.45Å; F1003-F1014 AromaticContact CE1-CE2 3.74Å; F1003-F1014 HydrophobicContact CE1-CE2 3.74Å; F1003-F1014 AromaticContact CE1-CG 3.78Å; F1003-F1014 HydrophobicContact CE1-CG 3.78Å; F1003-F1014 HydrophobicContact CE1-CZ 4.23Å; F1003-F1014 AromaticContact CZ-CD2 3.79Å; F1003-F1014 HydrophobicContact CZ-CD2 3.79Å; F1003-F1014 HydrophobicContact CZ-CE1 4.36Å; F1003-F1014 AromaticContact CZ-CE2 3.5Å; F1003-F1014 HydrophobicContact CZ-CE2 3.5Å; F1003-F1014 HydrophobicContact CZ-CG 4.36Å; F1003-F1014 AromaticContact CZ-CZ 3.83Å; F1003-F1014 HydrophobicContact CZ-CZ 3.83Å |
| 1004 | R | 85.7 | Confident | 85.2 | Confident | 64 Ų | 64 | 38.7 Ų | 38.7 | 24% | 0.242 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 125.8 | 165.6 | -70.1 | -163.4 | -175.3 | -86.3 | -7.8 | 110 | N985 L987 N1009 E1010 E1064 | N985-R1004 PolarHBondContact O-N 3.5Å; L987-R1004 HydrophobicContact CD1-CG 3.94Å; R1004-N1009 WeakPolarHBondContact CD-O 3.11Å; R1004-N1009 VanDerWaalsContact CD-OD1 3.27Å; R1004-N1009 WeakPolarHBondContact CD-OD1 3.38Å; R1004-N1009 PolarHBondContact NH1-O 3.04Å; R1004-E1010 WeakPolarHBondContact CA-O 3.3Å; R1004-E1064 IonicContact CZ-OE2 2.75Å; R1004-E1064 VanDerWaalsContact CZ-OE2 3.26Å; R1004-E1064 IonicContact NH1-OE2 2.81Å; R1004-E1064 PolarHBondContact NH1-OE2 3.1Å; R1004-E1064 IonicContact NH2-OE1 2.73Å; R1004-E1064 PolarHBondContact NH2-OE1 3.18Å; R1004-E1064 IonicContact NH2-OE2 3.91Å; R1004-E1064 PolarHBondContact NH2-OE2 2.81Å |
| 1005 | H | 81 | Confident | 86.5 | Confident | 22 Ų | 22 | 34.4 Ų | 34.4 | 10% | 0.102 | 16% | 0.162 | C | C | . | . | trans | -66.9 | 128 | 179.7 | 178.8 | -123.8 | 0 | 0 | 0 | 110.6 | F1003 Y1007 T1008 N1009 E1010 I1012 | F1003-H1005 HydrophobicContact CE2-CB 4.33Å; H1005-Y1007 VanDerWaalsContact C-N 3.27Å; H1005-Y1007 AromaticContact CE1-CD2 3.73Å; H1005-Y1007 AromaticContact NE2-CD2 3.66Å; H1005-Y1007 PolarHBondContact O-N 3.24Å; H1005-Y1007 VanDerWaalsContact O-N 3.14Å; H1005-T1008 PolarHBondContact ND1-OG1 3.24Å; H1005-T1008 PolarHBondContact O-N 2.81Å; H1005-N1009 VanDerWaalsContact O-CA 3.32Å; H1005-N1009 WeakPolarHBondContact O-CA 3.48Å; H1005-N1009 PolarHBondContact O-N 3.16Å; H1005-E1010 PolarHBondContact N-O 2.94Å; H1005-I1012 HydrophobicContact CB-CD1 3.65Å; H1005-I1012 HydrophobicContact CB-CG1 4.04Å | ||
| 1006 | P | 72.7 | Confident | 87.6 | Confident | 20 Ų | 20 | 28.3 Ų | 28.3 | 13% | 0.13 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -28.8 | -167 | 20.3 | -33.5 | 0 | 0 | 0 | 114.9 | V982 I984 | V982-P1006 HydrophobicContact CG1-CB 4.02Å; V982-P1006 HydrophobicContact CG1-CG 4.4Å; I984-P1006 HydrophobicContact CD1-CG 4.42Å |
| 1007 | Y | 69.8 | Low | 87.9 | Confident | 106 Ų | 106 | 27.7 Ų | 27.7 | 42% | 0.416 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -41.8 | -179.4 | -53.5 | -75.5 | 0 | 0 | 0 | 113.9 | H908 D979 H1005 | H908-Y1007 AromaticContact NE2-CD1 3.99Å; D979-Y1007 WeakPolarHBondContact OD1-CE1 3.46Å; D979-Y1007 PolarHBondContact OD1-OH 2.95Å; D979-Y1007 PolarHBondContact OD2-OH 2.82Å; H1005-Y1007 VanDerWaalsContact C-N 3.27Å; H1005-Y1007 AromaticContact CE1-CD2 3.73Å; H1005-Y1007 AromaticContact NE2-CD2 3.66Å; H1005-Y1007 PolarHBondContact O-N 3.24Å; H1005-Y1007 VanDerWaalsContact O-N 3.14Å |
| 1008 | T | 78.9 | Confident | 88 | Confident | 70 Ų | 70 | 23.7 Ų | 23.7 | 43% | 0.429 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -16.3 | -175.4 | 63.7 | 0 | 0 | 0 | 0 | 113.7 | H1005 E1010 | H1005-T1008 PolarHBondContact ND1-OG1 3.24Å; H1005-T1008 PolarHBondContact O-N 2.81Å; T1008-E1010 WeakPolarHBondContact CB-OE2 3.36Å; T1008-E1010 PolarHBondContact O-N 3.34Å; T1008-E1010 VanDerWaalsContact O-N 3.1Å; T1008-E1010 PolarHBondContact OG1-OE2 2.73Å |
| 1009 | N | 80 | Confident | 87.7 | Confident | 92 Ų | 92 | 25.5 Ų | 25.5 | 49% | 0.492 | 13% | 0.126 | S | C | . | . | trans | 59.3 | 10.7 | -173.8 | -165.2 | 46.4 | 0 | 0 | 0 | 114.4 | R1004 H1005 | R1004-N1009 WeakPolarHBondContact CD-O 3.11Å; R1004-N1009 VanDerWaalsContact CD-OD1 3.27Å; R1004-N1009 WeakPolarHBondContact CD-OD1 3.38Å; R1004-N1009 PolarHBondContact NH1-O 3.04Å; H1005-N1009 VanDerWaalsContact O-CA 3.32Å; H1005-N1009 WeakPolarHBondContact O-CA 3.48Å; H1005-N1009 PolarHBondContact O-N 3.16Å | ||
| 1010 | E | 85.6 | Confident | 87.3 | Confident | 85 Ų | 85 | 28.3 Ų | 28.3 | 40% | 0.397 | 15% | 0.145 | S | C | . | . | trans | -77.7 | 147.1 | 175.1 | -66 | 165.9 | 135.6 | 0 | 0 | 110.4 | R1004 H1005 T1008 I1012 | R1004-E1010 WeakPolarHBondContact CA-O 3.3Å; H1005-E1010 PolarHBondContact N-O 2.94Å; T1008-E1010 WeakPolarHBondContact CB-OE2 3.36Å; T1008-E1010 PolarHBondContact O-N 3.34Å; T1008-E1010 VanDerWaalsContact O-N 3.1Å; T1008-E1010 PolarHBondContact OG1-OE2 2.73Å; E1010-I1012 PolarHBondContact O-N 3.03Å | ||
| 1011 | P | 90.4 | Very high | 86.9 | Confident | 5 Ų | 5 | 28.7 Ų | 28.7 | 3% | 0.032 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 115.4 | 175.2 | 30.1 | -29.4 | 0 | 0 | 0 | 110.6 | L987 F1003 L1062 L1067 | L987-P1011 HydrophobicContact CD1-CB 4.14Å; F1003-P1011 WeakPolarHBondContact O-CA 3.3Å; P1011-L1062 HydrophobicContact CG-CB 4.22Å; P1011-L1062 WeakPolarHBondContact CG-O 3.47Å; P1011-L1062 PolarHBondContact O-N 3.23Å; P1011-L1067 HydrophobicContact CB-CD2 3.78Å; P1011-L1067 HydrophobicContact CG-CD2 4.1Å |
| 1012 | I | 91.9 | Very high | 86.8 | Confident | 6 Ų | 6 | 28.7 Ų | 28.7 | 3% | 0.031 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 136.2 | 177.1 | -60.1 | -171.7 | 0 | 0 | 0 | 109.6 | I1002 F1003 H1005 E1010 F1014 L1061 | I1002-I1012 WeakPolarHBondContact CA-O 3.32Å; F1003-I1012 WeakPolarHBondContact CD1-O 3.39Å; F1003-I1012 HydrophobicContact CE1-CB 3.97Å; F1003-I1012 HydrophobicContact CE1-CG2 4.02Å; F1003-I1012 HydrophobicContact CZ-CB 4.07Å; F1003-I1012 HydrophobicContact CZ-CG2 4.23Å; F1003-I1012 PolarHBondContact N-O 3.15Å; F1003-I1012 VanDerWaalsContact N-O 3.08Å; F1003-I1012 PolarHBondContact O-N 2.93Å; H1005-I1012 HydrophobicContact CB-CD1 3.65Å; H1005-I1012 HydrophobicContact CB-CG1 4.04Å; E1010-I1012 PolarHBondContact O-N 3.03Å; I1012-F1014 HydrophobicContact CG2-CD1 3.67Å; I1012-F1014 HydrophobicContact CG2-CE1 3.67Å; I1012-F1014 HydrophobicContact CG2-CZ 4.5Å; I1012-L1061 HydrophobicContact CD1-CD1 4.26Å; I1012-L1061 HydrophobicContact CG1-CD1 4.34Å; I1012-L1061 HydrophobicContact CG1-CG 4.39Å |
| 1013 | L | 94.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 107.3 | 169.4 | 174.5 | 73.2 | 0 | 0 | 0 | 108.6 | L990 I1001 I1002 E1059 R1060 L1062 L1095 F1099 | L990-L1013 HydrophobicContact CD1-CD1 4.17Å; I1001-L1013 WeakPolarHBondContact O-CA 3.33Å; I1002-L1013 HydrophobicContact CD1-CD1 4.43Å; I1002-L1013 HydrophobicContact CG1-CD1 3.65Å; L1013-E1059 CarbonylContact O-C 3.56Å; L1013-E1059 WeakPolarHBondContact O-CA 3.42Å; L1013-R1060 HydrophobicContact CB-CB 4.43Å; L1013-R1060 PolarHBondContact N-O 2.96Å; L1013-R1060 PolarHBondContact O-N 3.29Å; L1013-L1062 HydrophobicContact CB-CD1 4.19Å; L1013-L1062 HydrophobicContact CB-CG 4.33Å; L1013-L1095 HydrophobicContact CD1-CD2 4.25Å; L1013-L1095 HydrophobicContact CD2-CD2 4.14Å; L1013-L1095 HydrophobicContact CD2-CG 4.08Å; L1013-F1099 HydrophobicContact CD2-CE1 3.57Å; L1013-F1099 HydrophobicContact CD2-CZ 3.81Å; L1013-F1099 HydrophobicContact CG-CE1 3.92Å; L1013-F1099 HydrophobicContact CG-CZ 4.42Å |
| 1014 | F | 95 | Very high | 86.3 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 144.8 | 166 | -75.2 | -17.4 | 0 | 0 | 0 | 110.2 | D547 L550 A551 I554 C555 S1000 I1001 F1003 I1012 E1059 L1102 | D547-F1014 HydrophobicContact CB-CZ 4.42Å; L550-F1014 HydrophobicContact CB-CE2 4.47Å; L550-F1014 HydrophobicContact CD2-CE2 4.32Å; L550-F1014 HydrophobicContact CG-CE2 4.19Å; A551-F1014 HydrophobicContact CB-CD2 3.58Å; A551-F1014 HydrophobicContact CB-CE2 3.68Å; A551-F1014 HydrophobicContact CB-CG 4.04Å; A551-F1014 HydrophobicContact CB-CZ 4.21Å; I554-F1014 HydrophobicContact CD1-CD2 3.94Å; I554-F1014 HydrophobicContact CD1-CE2 4Å; I554-F1014 HydrophobicContact CG1-CD2 4.09Å; I554-F1014 HydrophobicContact CG1-CE2 4.28Å; C555-F1014 HydrophobicContact CB-CB 4.31Å; S1000-F1014 CarbonylContact C-O 3.45Å; S1000-F1014 WeakPolarHBondContact CA-O 3.45Å; S1000-F1014 VanDerWaalsContact CB-O 3.26Å; S1000-F1014 WeakPolarHBondContact CB-O 3.14Å; I1001-F1014 HydrophobicContact CG2-CB 4Å; I1001-F1014 PolarHBondContact N-O 3.33Å; I1001-F1014 PolarHBondContact O-N 3.16Å; F1003-F1014 HydrophobicContact CE1-CB 4.43Å; F1003-F1014 HydrophobicContact CE1-CD1 4.25Å; F1003-F1014 AromaticContact CE1-CD2 3.49Å; F1003-F1014 HydrophobicContact CE1-CD2 3.49Å; F1003-F1014 VanDerWaalsContact CE1-CD2 3.49Å; F1003-F1014 HydrophobicContact CE1-CE1 4.45Å; F1003-F1014 AromaticContact CE1-CE2 3.74Å; F1003-F1014 HydrophobicContact CE1-CE2 3.74Å; F1003-F1014 AromaticContact CE1-CG 3.78Å; F1003-F1014 HydrophobicContact CE1-CG 3.78Å; F1003-F1014 HydrophobicContact CE1-CZ 4.23Å; F1003-F1014 AromaticContact CZ-CD2 3.79Å; F1003-F1014 HydrophobicContact CZ-CD2 3.79Å; F1003-F1014 HydrophobicContact CZ-CE1 4.36Å; F1003-F1014 AromaticContact CZ-CE2 3.5Å; F1003-F1014 HydrophobicContact CZ-CE2 3.5Å; F1003-F1014 HydrophobicContact CZ-CG 4.36Å; F1003-F1014 AromaticContact CZ-CZ 3.83Å; F1003-F1014 HydrophobicContact CZ-CZ 3.83Å; I1012-F1014 HydrophobicContact CG2-CD1 3.67Å; I1012-F1014 HydrophobicContact CG2-CE1 3.67Å; I1012-F1014 HydrophobicContact CG2-CZ 4.5Å; F1014-E1059 HydrophobicContact CD1-CB 3.64Å; F1014-E1059 HydrophobicContact CE1-CB 3.77Å; F1014-L1102 HydrophobicContact CE1-CD1 4.22Å |
| 1015 | T | 94.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 144.4 | 173.5 | -165.3 | 0 | 0 | 0 | 0 | 111.4 | M999 S1000 I1022 I1057 A1058 F1099 | M999-T1015 WeakPolarHBondContact O-CA 3.16Å; M999-T1015 PolarHBondContact O-OG1 3.47Å; S1000-T1015 VanDerWaalsContact OG-CB 3.26Å; S1000-T1015 WeakPolarHBondContact OG-CB 3.42Å; S1000-T1015 PolarHBondContact OG-OG1 3.33Å; T1015-I1022 HydrophobicContact CG2-CD1 3.96Å; T1015-I1022 HydrophobicContact CG2-CG1 4.32Å; T1015-I1057 WeakPolarHBondContact O-CA 3.48Å; T1015-A1058 HydrophobicContact CG2-CB 3.96Å; T1015-A1058 PolarHBondContact N-O 3.33Å; T1015-A1058 PolarHBondContact O-N 3.35Å; T1015-F1099 HydrophobicContact CG2-CD1 3.75Å; T1015-F1099 HydrophobicContact CG2-CD2 4.18Å; T1015-F1099 HydrophobicContact CG2-CE1 3.43Å; T1015-F1099 VanDerWaalsContact CG2-CE1 3.43Å; T1015-F1099 HydrophobicContact CG2-CE2 3.88Å; T1015-F1099 HydrophobicContact CG2-CG 4.11Å; T1015-F1099 HydrophobicContact CG2-CZ 3.49Å; T1015-F1099 VanDerWaalsContact CG2-CZ 3.49Å |
| 1016 | K | 94.5 | Very high | 86.9 | Confident | 12 Ų | 12 | 32.9 Ų | 32.9 | 5% | 0.052 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 149.8 | 167.3 | 75.7 | 176.1 | 179.7 | -159.9 | 0 | 110.6 | C555 E950 L953 R998 M999 I1022 V1056 I1057 | C555-K1016 WeakPolarHBondContact O-CD 3.19Å; C555-K1016 WeakPolarHBondContact O-CE 3.48Å; C555-K1016 PolarHBondContact O-NZ 3.29Å; E950-K1016 WeakPolarHBondContact OE1-CE 3.2Å; E950-K1016 IonicContact OE1-NZ 2.66Å; E950-K1016 PolarHBondContact OE1-NZ 3.18Å; E950-K1016 IonicContact OE2-NZ 3.13Å; E950-K1016 PolarHBondContact OE2-NZ 3.19Å; L953-K1016 HydrophobicContact CD1-CD 4.27Å; R998-K1016 CarbonylContact C-O 3.56Å; R998-K1016 WeakPolarHBondContact CA-O 3.3Å; R998-K1016 VanDerWaalsContact CB-O 3.3Å; R998-K1016 WeakPolarHBondContact CB-O 3.37Å; M999-K1016 HydrophobicContact CB-CG 4.37Å; M999-K1016 PolarHBondContact N-O 3.46Å; M999-K1016 PolarHBondContact O-N 2.71Å; K1016-I1022 VanDerWaalsContact C-CD1 3.47Å; K1016-V1056 VanDerWaalsContact CA-O 3.32Å; K1016-V1056 WeakPolarHBondContact CA-O 3.48Å; K1016-I1057 HydrophobicContact CB-CG1 4.22Å |
| 1017 | G | 91.1 | Very high | 87.4 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.1 | -168 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | K997 L1055 V1056 | K997-G1017 WeakPolarHBondContact O-CA 3.32Å; G1017-L1055 CarbonylContact O-C 3.54Å; G1017-L1055 WeakPolarHBondContact O-CA 3.3Å; G1017-V1056 PolarHBondContact N-O 3.02Å; G1017-V1056 VanDerWaalsContact N-O 3.1Å; G1017-V1056 PolarHBondContact O-N 3.15Å |
| 1018 | A | 86.5 | Confident | 87.4 | Confident | 9 Ų | 9 | 32.2 Ų | 32.2 | 7% | 0.074 | 17% | 0.174 | C | C | . | . | trans | -65.9 | 140.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K997 S1020 S1021 I1022 | K997-A1018 HydrophobicContact CB-CB 4.22Å; K997-A1018 PolarHBondContact O-N 3.08Å; A1018-S1020 VanDerWaalsContact C-N 3.28Å; A1018-S1020 PolarHBondContact O-N 3.41Å; A1018-S1021 WeakPolarHBondContact O-CA 3.39Å; A1018-S1021 WeakPolarHBondContact O-CB 3.47Å; A1018-S1021 PolarHBondContact O-N 3.42Å; A1018-I1022 PolarHBondContact O-N 3.45Å | ||
| 1019 | D | 85.6 | Confident | 86.9 | Confident | 42 Ų | 42 | 34.6 Ų | 34.6 | 23% | 0.225 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -34 | -57 | 164.6 | 66.4 | -38.1 | 0 | 0 | 0 | 113.4 | S1021 I1022 M1023 I1044 V1056 | D1019-S1021 PolarHBondContact O-N 2.98Å; D1019-I1022 PolarHBondContact O-N 3.38Å; D1019-M1023 VanDerWaalsContact O-CB 3.28Å; D1019-M1023 WeakPolarHBondContact O-CB 3.33Å; D1019-M1023 VanDerWaalsContact O-CG 3.24Å; D1019-M1023 WeakPolarHBondContact O-CG 3.28Å; D1019-M1023 PolarHBondContact O-N 3.48Å; D1019-I1044 HydrophobicContact CB-CG2 4.16Å; D1019-V1056 HydrophobicContact CB-CG2 4.19Å |
| 1020 | S | 82.3 | Confident | 86.1 | Confident | 59 Ų | 59 | 31.2 Ų | 31.2 | 41% | 0.413 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -67.5 | -15.1 | -177.8 | 44.1 | 0 | 0 | 0 | 0 | 113.8 | A1018 N1024 | A1018-S1020 VanDerWaalsContact C-N 3.28Å; A1018-S1020 PolarHBondContact O-N 3.41Å; S1020-N1024 PolarHBondContact O-ND2 2.99Å |
| 1021 | S | 87 | Confident | 84.6 | Confident | 8 Ų | 8 | 33.6 Ų | 33.6 | 6% | 0.056 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -91.8 | -47.3 | 170.8 | -160.6 | 0 | 0 | 0 | 0 | 111.5 | R996 R998 A1018 D1019 R1025 | R996-S1021 PolarHBondContact O-OG 2.91Å; R998-S1021 PolarHBondContact NH1-OG 2.97Å; A1018-S1021 WeakPolarHBondContact O-CA 3.39Å; A1018-S1021 WeakPolarHBondContact O-CB 3.47Å; A1018-S1021 PolarHBondContact O-N 3.42Å; D1019-S1021 PolarHBondContact O-N 2.98Å; S1021-R1025 VanDerWaalsContact O-CD 3.29Å; S1021-R1025 WeakPolarHBondContact O-CD 3.46Å; S1021-R1025 PolarHBondContact O-NH1 3.49Å |
| 1022 | I | 90.9 | Very high | 83 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -88.1 | -40.8 | -170.3 | -68.1 | 171.1 | 0 | 0 | 0 | 113.5 | T1015 K1016 A1018 D1019 N1024 R1025 L1026 V1056 A1058 | T1015-I1022 HydrophobicContact CG2-CD1 3.96Å; T1015-I1022 HydrophobicContact CG2-CG1 4.32Å; K1016-I1022 VanDerWaalsContact C-CD1 3.47Å; A1018-I1022 PolarHBondContact O-N 3.45Å; D1019-I1022 PolarHBondContact O-N 3.38Å; I1022-N1024 PolarHBondContact O-N 3.43Å; I1022-N1024 VanDerWaalsContact O-N 3.14Å; I1022-R1025 WeakPolarHBondContact O-CA 3.08Å; I1022-R1025 WeakPolarHBondContact O-CB 3.26Å; I1022-R1025 PolarHBondContact O-N 2.74Å; I1022-L1026 HydrophobicContact CG2-CD2 4.08Å; I1022-L1026 PolarHBondContact O-N 2.93Å; I1022-V1056 HydrophobicContact CB-CB 4.18Å; I1022-V1056 HydrophobicContact CB-CG1 4.16Å; I1022-V1056 HydrophobicContact CD1-CB 4.37Å; I1022-V1056 VanDerWaalsContact CD1-O 3.3Å; I1022-V1056 WeakPolarHBondContact CD1-O 3.22Å; I1022-V1056 HydrophobicContact CG2-CB 4.2Å; I1022-V1056 HydrophobicContact CG2-CG1 3.64Å; I1022-A1058 HydrophobicContact CG2-CB 3.89Å |
| 1023 | M | 88.2 | Confident | 81.9 | Confident | 24 Ų | 24 | 41 Ų | 41 | 12% | 0.118 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -60.2 | -31.9 | -176.9 | -61.5 | -65.3 | -87.2 | 0 | 0 | 112 | D1019 R1025 L1026 V1037 Q1041 I1044 V1056 L1101 | D1019-M1023 VanDerWaalsContact O-CB 3.28Å; D1019-M1023 WeakPolarHBondContact O-CB 3.33Å; D1019-M1023 VanDerWaalsContact O-CG 3.24Å; D1019-M1023 WeakPolarHBondContact O-CG 3.28Å; D1019-M1023 PolarHBondContact O-N 3.48Å; M1023-R1025 PolarHBondContact O-N 3.23Å; M1023-L1026 HydrophobicContact SD-CD1 3.71Å; M1023-V1037 HydrophobicContact CE-CG1 3.91Å; M1023-Q1041 HydrophobicContact CE-CB 3.88Å; M1023-I1044 HydrophobicContact CE-CD1 4.3Å; M1023-I1044 HydrophobicContact SD-CD1 4.38Å; M1023-V1056 HydrophobicContact CG-CG2 4.31Å; M1023-V1056 HydrophobicContact SD-CG1 4.13Å; M1023-V1056 HydrophobicContact SD-CG2 4.19Å; M1023-L1101 HydrophobicContact SD-CD2 4.47Å |
| 1024 | N | 86.6 | Confident | 81.2 | Confident | 83 Ų | 83 | 47 Ų | 47 | 44% | 0.444 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -71 | -6.4 | 173.3 | -75.6 | -40.6 | 0 | 0 | 0 | 114.9 | S1020 I1022 N1199 | S1020-N1024 PolarHBondContact O-ND2 2.99Å; I1022-N1024 PolarHBondContact O-N 3.43Å; I1022-N1024 VanDerWaalsContact O-N 3.14Å; N1024-N1199 PolarHBondContact ND2-OD1 3.49Å; N1024-N1199 PolarHBondContact OD1-ND2 3.36Å |
| 1025 | R | 90.7 | Very high | 80.6 | Confident | 59 Ų | 59 | 53.5 Ų | 53.5 | 22% | 0.223 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -119.9 | 2.3 | -174 | -68.7 | 173.1 | 164.3 | 73.2 | 7.2 | 113.5 | S1021 I1022 M1023 D1093 E1096 N1098 F1099 | S1021-R1025 VanDerWaalsContact O-CD 3.29Å; S1021-R1025 WeakPolarHBondContact O-CD 3.46Å; S1021-R1025 PolarHBondContact O-NH1 3.49Å; I1022-R1025 WeakPolarHBondContact O-CA 3.08Å; I1022-R1025 WeakPolarHBondContact O-CB 3.26Å; I1022-R1025 PolarHBondContact O-N 2.74Å; M1023-R1025 PolarHBondContact O-N 3.23Å; R1025-D1093 IonicContact CZ-OD1 3.29Å; R1025-D1093 IonicContact NE-OD1 2.69Å; R1025-D1093 PolarHBondContact NE-OD1 2.75Å; R1025-D1093 IonicContact NH2-OD1 2.61Å; R1025-D1093 PolarHBondContact NH2-OD1 3.11Å; R1025-D1093 IonicContact NH2-OD2 3.92Å; R1025-D1093 PolarHBondContact NH2-OD2 3.15Å; R1025-E1096 WeakPolarHBondContact CD-O 3.44Å; R1025-E1096 PolarHBondContact NE-O 2.86Å; R1025-N1098 WeakPolarHBondContact O-CA 3.43Å; R1025-N1098 PolarHBondContact O-N 2.88Å; R1025-F1099 HydrophobicContact CB-CD2 4.01Å; R1025-F1099 HydrophobicContact CB-CE2 4.48Å; R1025-F1099 PolarHBondContact O-N 2.69Å |
| 1026 | L | 88.8 | Confident | 80.2 | Confident | 9 Ų | 9 | 54.8 Ų | 54.8 | 5% | 0.047 | 29% | 0.292 | C | S | . | . | B | Isolated β-bridge | trans | -75.2 | 148.3 | 178.2 | -60.7 | 176.1 | 0 | 0 | 0 | 112.2 | I1022 M1023 N1028 V1037 A1058 F1099 L1101 | I1022-L1026 HydrophobicContact CG2-CD2 4.08Å; I1022-L1026 PolarHBondContact O-N 2.93Å; M1023-L1026 HydrophobicContact SD-CD1 3.71Å; L1026-N1028 PolarHBondContact O-ND2 3.14Å; L1026-V1037 HydrophobicContact CD1-CG1 4.15Å; L1026-V1037 HydrophobicContact CD1-CG2 3.68Å; L1026-A1058 HydrophobicContact CD2-CB 4.04Å; L1026-F1099 CarbonylContact C-O 3.09Å; L1026-F1099 VanDerWaalsContact CA-O 3.28Å; L1026-F1099 WeakPolarHBondContact CA-O 3.37Å; L1026-F1099 HydrophobicContact CD2-CB 3.97Å; L1026-L1101 HydrophobicContact CD1-CB 4.04Å; L1026-L1101 HydrophobicContact CD1-CD1 4.47Å; L1026-L1101 HydrophobicContact CD1-CD2 4.04Å; L1026-L1101 HydrophobicContact CD1-CG 4.43Å; L1026-L1101 HydrophobicContact CD2-CB 3.98Å |
| 1027 | D | 81.9 | Confident | 79.8 | Confident | 62 Ų | 62 | 55.5 Ų | 55.5 | 33% | 0.332 | 30% | 0.297 | S | S | . | . | trans | -70.6 | 130 | 172.5 | -172.8 | 12.7 | 0 | 0 | 0 | 111.6 | T1029 F1099 | D1027-T1029 VanDerWaalsContact CG-OG1 3.27Å; D1027-T1029 WeakPolarHBondContact OD1-CG2 3.33Å; D1027-T1029 PolarHBondContact OD1-N 3.49Å; D1027-T1029 PolarHBondContact OD1-OG1 2.87Å; D1027-T1029 PolarHBondContact OD2-OG1 3.48Å; D1027-F1099 PolarHBondContact N-O 3.34Å | ||
| 1028 | N | 69.8 | Low | 79.7 | Confident | 50 Ų | 50 | 59 Ų | 59 | 27% | 0.267 | 32% | 0.319 | S | S | . | . | trans | -111.2 | 14.7 | -176 | -84.3 | -86.9 | 0 | 0 | 0 | 112.8 | L1026 R1034 | L1026-N1028 PolarHBondContact O-ND2 3.14Å; N1028-R1034 PolarHBondContact O-NH1 3.19Å | ||
| 1029 | T | 67.9 | Low | 79.9 | Confident | 119 Ų | 119 | 60.3 Ų | 60.3 | 73% | 0.73 | 33% | 0.329 | S | S | * | . | trans | -72.1 | -30.3 | -179.9 | 56.2 | 0 | 0 | 0 | 0 | 114.4 | D1027 | D1027-T1029 VanDerWaalsContact CG-OG1 3.27Å; D1027-T1029 WeakPolarHBondContact OD1-CG2 3.33Å; D1027-T1029 PolarHBondContact OD1-N 3.49Å; D1027-T1029 PolarHBondContact OD1-OG1 2.87Å; D1027-T1029 PolarHBondContact OD2-OG1 3.48Å | ||
| 1030 | G | 64.1 | Low | 80.1 | Confident | 21 Ų | 21 | 58.3 Ų | 58.3 | 22% | 0.216 | 32% | 0.319 | C | S | . | . | trans | -91.4 | 153 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | S1033 | G1030-S1033 WeakPolarHBondContact CA-OG 3.38Š| ||
| 1031 | I | 55.2 | Low | 80.4 | Confident | 135 Ų | 135 | 58.1 Ų | 58.1 | 69% | 0.692 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -74 | -57.1 | 173.5 | -64.5 | 175.3 | 0 | 0 | 0 | 110 | S1033 R1034 E1035 | I1031-S1033 PolarHBondContact O-N 3.18Å; I1031-S1033 VanDerWaalsContact O-N 3.15Å; I1031-R1034 WeakPolarHBondContact O-CB 3.15Å; I1031-R1034 PolarHBondContact O-N 3.44Å; I1031-E1035 PolarHBondContact O-N 3.44Å |
| 1032 | N | 54.8 | Low | 80.6 | Confident | 117 Ų | 117 | 63.9 Ų | 63.9 | 63% | 0.626 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -57 | -32.1 | 177.3 | -56.7 | 30.9 | 0 | 0 | 0 | 111.7 | R1034 E1035 L1036 | N1032-R1034 VanDerWaalsContact C-N 3.33Å; N1032-R1034 PolarHBondContact O-N 2.87Å; N1032-E1035 PolarHBondContact O-N 2.92Å; N1032-L1036 WeakPolarHBondContact O-CB 3.36Å; N1032-L1036 PolarHBondContact O-N 2.88Å; N1032-L1036 VanDerWaalsContact O-N 3.12Å |
| 1033 | S | 70.8 | Confident | 80.6 | Confident | 49 Ų | 49 | 65.5 Ų | 65.5 | 34% | 0.343 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.9 | -42.5 | 173.5 | -42.8 | 0 | 0 | 0 | 0 | 112.1 | G1030 I1031 V1037 | G1030-S1033 WeakPolarHBondContact CA-OG 3.38Å; I1031-S1033 PolarHBondContact O-N 3.18Å; I1031-S1033 VanDerWaalsContact O-N 3.15Å; S1033-V1037 WeakPolarHBondContact O-CB 3.29Å; S1033-V1037 WeakPolarHBondContact O-CG2 3.34Å; S1033-V1037 PolarHBondContact O-N 2.99Å |
| 1034 | R | 79.1 | Confident | 80.5 | Confident | 126 Ų | 126 | 64.4 Ų | 64.4 | 48% | 0.475 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.1 | -42.4 | 179.6 | -86.5 | -169.9 | 168 | 75 | 7.9 | 113.3 | N1028 I1031 N1032 V1037 T1038 | N1028-R1034 PolarHBondContact O-NH1 3.19Å; I1031-R1034 WeakPolarHBondContact O-CB 3.15Å; I1031-R1034 PolarHBondContact O-N 3.44Å; N1032-R1034 VanDerWaalsContact C-N 3.33Å; N1032-R1034 PolarHBondContact O-N 2.87Å; R1034-V1037 PolarHBondContact O-N 3.01Å; R1034-T1038 WeakPolarHBondContact O-CB 3.33Å; R1034-T1038 PolarHBondContact O-N 3.04Å; R1034-T1038 PolarHBondContact O-OG1 2.96Å |
| 1035 | E | 81.9 | Confident | 80.3 | Confident | 137 Ų | 137 | 63.8 Ų | 63.8 | 64% | 0.64 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -63.5 | -47.2 | 178.2 | -65.7 | -175.5 | 157.6 | 0 | 0 | 110.5 | I1031 N1032 V1037 T1038 A1039 | I1031-E1035 PolarHBondContact O-N 3.44Å; N1032-E1035 PolarHBondContact O-N 2.92Å; E1035-V1037 PolarHBondContact O-N 2.88Å; E1035-T1038 PolarHBondContact O-N 3.22Å; E1035-A1039 WeakPolarHBondContact O-CB 3.33Å; E1035-A1039 PolarHBondContact O-N 3.32Å |
| 1036 | L | 86.2 | Confident | 80 | Confident | 27 Ų | 27 | 64 Ų | 64 | 14% | 0.141 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 177.2 | 177.9 | 144.8 | 0 | 0 | 0 | 112.8 | N418 N1032 T1040 L1101 | N418-L1036 HydrophobicContact CB-CD1 4.48Å; N418-L1036 WeakPolarHBondContact O-CD1 3.36Å; N418-L1036 VanDerWaalsContact OD1-CD1 3.24Å; N418-L1036 WeakPolarHBondContact OD1-CD1 3.34Å; N1032-L1036 WeakPolarHBondContact O-CB 3.36Å; N1032-L1036 PolarHBondContact O-N 2.88Å; N1032-L1036 VanDerWaalsContact O-N 3.12Å; L1036-T1040 WeakPolarHBondContact O-CB 3.34Å; L1036-T1040 PolarHBondContact O-N 3.28Å; L1036-T1040 PolarHBondContact O-OG1 3.07Å; L1036-L1101 HydrophobicContact CD2-CB 4.01Å; L1036-L1101 HydrophobicContact CD2-CD2 3.87Å; L1036-L1101 HydrophobicContact CD2-CG 4.09Å |
| 1037 | V | 87.6 | Confident | 79.8 | Confident | 27 Ų | 27 | 63.6 Ų | 63.6 | 16% | 0.164 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.4 | -37.1 | 175.2 | 168.7 | 0 | 0 | 0 | 0 | 111.8 | M1023 L1026 S1033 R1034 E1035 Q1041 L1101 | M1023-V1037 HydrophobicContact CE-CG1 3.91Å; L1026-V1037 HydrophobicContact CD1-CG1 4.15Å; L1026-V1037 HydrophobicContact CD1-CG2 3.68Å; S1033-V1037 WeakPolarHBondContact O-CB 3.29Å; S1033-V1037 WeakPolarHBondContact O-CG2 3.34Å; S1033-V1037 PolarHBondContact O-N 2.99Å; R1034-V1037 PolarHBondContact O-N 3.01Å; E1035-V1037 PolarHBondContact O-N 2.88Å; V1037-Q1041 WeakPolarHBondContact O-CB 3.24Å; V1037-Q1041 PolarHBondContact O-N 3.33Å; V1037-L1101 HydrophobicContact CG2-CD2 3.91Å |
| 1038 | T | 88 | Confident | 79.4 | Confident | 77 Ų | 77 | 62.6 Ų | 62.6 | 47% | 0.472 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -70.3 | -47.6 | 178.8 | -53 | 0 | 0 | 0 | 0 | 111 | R1034 E1035 T1040 Q1041 E1042 | R1034-T1038 WeakPolarHBondContact O-CB 3.33Å; R1034-T1038 PolarHBondContact O-N 3.04Å; R1034-T1038 PolarHBondContact O-OG1 2.96Å; E1035-T1038 PolarHBondContact O-N 3.22Å; T1038-T1040 VanDerWaalsContact C-N 3.32Å; T1038-T1040 PolarHBondContact O-N 3.42Å; T1038-Q1041 PolarHBondContact O-N 3.24Å; T1038-Q1041 VanDerWaalsContact O-N 3.17Å; T1038-E1042 PolarHBondContact O-N 3.28Å |
| 1039 | A | 90 | Very high | 79.4 | Confident | 35 Ų | 35 | 68 Ų | 68 | 29% | 0.289 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.1 | -41.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1035 Q1041 E1042 Q1043 | E1035-A1039 WeakPolarHBondContact O-CB 3.33Å; E1035-A1039 PolarHBondContact O-N 3.32Å; A1039-Q1041 PolarHBondContact O-N 3.18Å; A1039-E1042 PolarHBondContact O-N 2.74Å; A1039-Q1043 VanDerWaalsContact O-CG 3.32Å; A1039-Q1043 WeakPolarHBondContact O-CG 3.47Å; A1039-Q1043 PolarHBondContact O-N 3.36Å |
| 1040 | T | 90.7 | Very high | 79.6 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.1 | -36.9 | 176.6 | -50.9 | 0 | 0 | 0 | 0 | 111.6 | L1036 T1038 Q1043 I1044 L1101 A1104 | L1036-T1040 WeakPolarHBondContact O-CB 3.34Å; L1036-T1040 PolarHBondContact O-N 3.28Å; L1036-T1040 PolarHBondContact O-OG1 3.07Å; T1038-T1040 VanDerWaalsContact C-N 3.32Å; T1038-T1040 PolarHBondContact O-N 3.42Å; T1040-Q1043 PolarHBondContact O-N 3.3Å; T1040-I1044 HydrophobicContact CG2-CD1 4.04Å; T1040-I1044 WeakPolarHBondContact O-CD1 3.28Å; T1040-I1044 VanDerWaalsContact O-CG1 3.25Å; T1040-I1044 WeakPolarHBondContact O-CG1 3.25Å; T1040-I1044 PolarHBondContact O-N 2.86Å; T1040-L1101 HydrophobicContact CG2-CD2 3.97Å; T1040-A1104 HydrophobicContact CG2-CB 3.99Å |
| 1041 | Q | 89.4 | Confident | 79.9 | Confident | 55 Ų | 55 | 66.2 Ų | 66.2 | 26% | 0.257 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 173.5 | -172.8 | 65.5 | 61.3 | 0 | 0 | 111.9 | M1023 V1037 T1038 A1039 Q1043 I1044 D1045 | M1023-Q1041 HydrophobicContact CE-CB 3.88Å; V1037-Q1041 WeakPolarHBondContact O-CB 3.24Å; V1037-Q1041 PolarHBondContact O-N 3.33Å; T1038-Q1041 PolarHBondContact O-N 3.24Å; T1038-Q1041 VanDerWaalsContact O-N 3.17Å; A1039-Q1041 PolarHBondContact O-N 3.18Å; Q1041-Q1043 PolarHBondContact O-N 2.91Å; Q1041-I1044 PolarHBondContact O-N 3.4Å; Q1041-D1045 PolarHBondContact NE2-OD1 3.4Å; Q1041-D1045 WeakPolarHBondContact O-CB 3.39Å; Q1041-D1045 VanDerWaalsContact O-CG 3.27Å; Q1041-D1045 PolarHBondContact O-N 3.47Å |
| 1042 | E | 89.3 | Confident | 81.1 | Confident | 130 Ų | 130 | 60.6 Ų | 60.6 | 61% | 0.607 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.8 | -32.8 | 177 | -69.9 | -176 | 175.1 | 0 | 0 | 112.4 | T1038 A1039 H1046 | T1038-E1042 PolarHBondContact O-N 3.28Å; A1039-E1042 PolarHBondContact O-N 2.74Å; E1042-H1046 WeakPolarHBondContact O-CB 3.44Å; E1042-H1046 PolarHBondContact O-N 2.9Å |
| 1043 | Q | 91.5 | Very high | 82.4 | Confident | 34 Ų | 34 | 57.7 Ų | 57.7 | 16% | 0.159 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.7 | -43.7 | 172.9 | -71.4 | 160.3 | -3 | 0 | 0 | 112.1 | S416 G419 D421 A1039 T1040 Q1041 D1045 H1046 Y1047 | S416-Q1043 VanDerWaalsContact CB-OE1 3.24Å; S416-Q1043 PolarHBondContact OG-OE1 3.49Å; G419-Q1043 PolarHBondContact O-NE2 3.27Å; G419-Q1043 PolarHBondContact O-OE1 2.86Å; D421-Q1043 HydrophobicContact CB-CG 4.44Å; A1039-Q1043 VanDerWaalsContact O-CG 3.32Å; A1039-Q1043 WeakPolarHBondContact O-CG 3.47Å; A1039-Q1043 PolarHBondContact O-N 3.36Å; T1040-Q1043 PolarHBondContact O-N 3.3Å; Q1041-Q1043 PolarHBondContact O-N 2.91Å; Q1043-D1045 VanDerWaalsContact C-N 3.32Å; Q1043-D1045 PolarHBondContact O-N 3.34Å; Q1043-H1046 CarbonylContact O-C 3.6Å; Q1043-H1046 WeakPolarHBondContact O-CA 3.33Å; Q1043-H1046 WeakPolarHBondContact O-CB 3.36Å; Q1043-H1046 PolarHBondContact O-N 2.67Å; Q1043-Y1047 WeakPolarHBondContact O-CD1 3.45Å; Q1043-Y1047 VanDerWaalsContact O-CG 3.22Å; Q1043-Y1047 PolarHBondContact O-N 2.93Å |
| 1044 | I | 86.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.7 | -45.5 | 171.5 | -71.5 | 161.7 | 0 | 0 | 0 | 110.6 | D1019 M1023 T1040 Q1041 H1046 Y1047 S1048 T1054 V1056 A1104 | D1019-I1044 HydrophobicContact CB-CG2 4.16Å; M1023-I1044 HydrophobicContact CE-CD1 4.3Å; M1023-I1044 HydrophobicContact SD-CD1 4.38Å; T1040-I1044 HydrophobicContact CG2-CD1 4.04Å; T1040-I1044 WeakPolarHBondContact O-CD1 3.28Å; T1040-I1044 VanDerWaalsContact O-CG1 3.25Å; T1040-I1044 WeakPolarHBondContact O-CG1 3.25Å; T1040-I1044 PolarHBondContact O-N 2.86Å; Q1041-I1044 PolarHBondContact O-N 3.4Å; I1044-H1046 VanDerWaalsContact C-N 3.25Å; I1044-H1046 PolarHBondContact O-N 3.25Å; I1044-Y1047 PolarHBondContact O-N 2.97Å; I1044-S1048 VanDerWaalsContact O-CB 3.27Å; I1044-S1048 WeakPolarHBondContact O-CB 3.27Å; I1044-S1048 PolarHBondContact O-N 2.87Å; I1044-S1048 PolarHBondContact O-OG 2.88Å; I1044-T1054 HydrophobicContact CG2-CG2 4.19Å; I1044-V1056 HydrophobicContact CD1-CG2 3.6Å; I1044-A1104 HydrophobicContact CD1-CB 3.87Å; I1044-A1104 HydrophobicContact CG1-CB 3.77Å |
| 1045 | D | 82.1 | Confident | 83.7 | Confident | 70 Ų | 70 | 52.1 Ų | 52.1 | 37% | 0.374 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.5 | -31.6 | 176.1 | -70.3 | 9.1 | 0 | 0 | 0 | 111.2 | Q1041 Q1043 R1049 | Q1041-D1045 PolarHBondContact NE2-OD1 3.4Å; Q1041-D1045 WeakPolarHBondContact O-CB 3.39Å; Q1041-D1045 VanDerWaalsContact O-CG 3.27Å; Q1041-D1045 PolarHBondContact O-N 3.47Å; Q1043-D1045 VanDerWaalsContact C-N 3.32Å; Q1043-D1045 PolarHBondContact O-N 3.34Å; D1045-R1049 WeakPolarHBondContact O-CG 3.17Å; D1045-R1049 PolarHBondContact O-N 3.03Å; D1045-R1049 PolarHBondContact O-NE 3.26Å |
| 1046 | H | 83.9 | Confident | 84.3 | Confident | 65 Ų | 65 | 45.6 Ų | 45.6 | 30% | 0.301 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -72.9 | -49.6 | 174.1 | 178.3 | 50.9 | 0 | 0 | 0 | 112.1 | R414 E1042 Q1043 I1044 S1048 R1049 L1050 | R414-H1046 PolarHBondContact NH1-NE2 2.93Å; E1042-H1046 WeakPolarHBondContact O-CB 3.44Å; E1042-H1046 PolarHBondContact O-N 2.9Å; Q1043-H1046 CarbonylContact O-C 3.6Å; Q1043-H1046 WeakPolarHBondContact O-CA 3.33Å; Q1043-H1046 WeakPolarHBondContact O-CB 3.36Å; Q1043-H1046 PolarHBondContact O-N 2.67Å; I1044-H1046 VanDerWaalsContact C-N 3.25Å; I1044-H1046 PolarHBondContact O-N 3.25Å; H1046-S1048 VanDerWaalsContact C-N 3.28Å; H1046-S1048 PolarHBondContact O-N 3.05Å; H1046-R1049 WeakPolarHBondContact O-CA 3.21Å; H1046-R1049 WeakPolarHBondContact O-CB 3.23Å; H1046-R1049 PolarHBondContact O-N 3.06Å; H1046-L1050 PolarHBondContact O-N 2.87Å |
| 1047 | Y | 84.8 | Confident | 84.7 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.5 | -43.4 | 175.1 | -62.1 | -9.2 | 0 | 0 | 0 | 111.2 | R414 A415 S416 D421 Q1043 I1044 R1049 L1050 G1051 L1052 T1054 | R414-Y1047 HydrophobicContact CB-CD1 4.25Å; R414-Y1047 HydrophobicContact CB-CE1 3.69Å; R414-Y1047 HydrophobicContact CB-CE2 4.19Å; R414-Y1047 HydrophobicContact CG-CE1 4.16Å; A415-Y1047 PolarHBondContact O-OH 2.62Å; S416-Y1047 PolarHBondContact N-OH 2.77Å; S416-Y1047 VanDerWaalsContact N-OH 3.07Å; D421-Y1047 WeakPolarHBondContact OD1-CE1 3.23Å; D421-Y1047 PolarHBondContact OD1-OH 3.33Å; Q1043-Y1047 WeakPolarHBondContact O-CD1 3.45Å; Q1043-Y1047 VanDerWaalsContact O-CG 3.22Å; Q1043-Y1047 PolarHBondContact O-N 2.93Å; I1044-Y1047 PolarHBondContact O-N 2.97Å; Y1047-R1049 PolarHBondContact O-N 2.88Å; Y1047-L1050 PolarHBondContact O-N 3.48Å; Y1047-L1050 VanDerWaalsContact O-N 3.07Å; Y1047-G1051 PolarHBondContact O-N 3.47Å; Y1047-G1051 VanDerWaalsContact O-N 3.15Å; Y1047-L1052 HydrophobicContact CD1-CD1 4.44Å; Y1047-L1052 HydrophobicContact CG-CD1 4.34Å; Y1047-L1052 PolarHBondContact O-N 3.07Å; Y1047-T1054 HydrophobicContact CD2-CG2 4.1Å; Y1047-T1054 HydrophobicContact CG-CG2 4.39Å |
| 1048 | S | 74.4 | Confident | 85 | Confident | 40 Ų | 40 | 43.1 Ų | 43.1 | 28% | 0.28 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.1 | -27.1 | 175 | -57.4 | 0 | 0 | 0 | 0 | 113.2 | I1044 H1046 N1142 | I1044-S1048 VanDerWaalsContact O-CB 3.27Å; I1044-S1048 WeakPolarHBondContact O-CB 3.27Å; I1044-S1048 PolarHBondContact O-N 2.87Å; I1044-S1048 PolarHBondContact O-OG 2.88Å; H1046-S1048 VanDerWaalsContact C-N 3.28Å; H1046-S1048 PolarHBondContact O-N 3.05Å; S1048-N1142 PolarHBondContact O-ND2 2.92Å |
| 1049 | R | 69.2 | Low | 85.3 | Confident | 163 Ų | 163 | 40.4 Ų | 40.4 | 62% | 0.615 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -81.1 | -26.3 | 173.2 | -79.7 | 173.4 | -74.4 | 166.1 | -2.6 | 113 | D1045 H1046 Y1047 G1051 | D1045-R1049 WeakPolarHBondContact O-CG 3.17Å; D1045-R1049 PolarHBondContact O-N 3.03Å; D1045-R1049 PolarHBondContact O-NE 3.26Å; H1046-R1049 WeakPolarHBondContact O-CA 3.21Å; H1046-R1049 WeakPolarHBondContact O-CB 3.23Å; H1046-R1049 PolarHBondContact O-N 3.06Å; Y1047-R1049 PolarHBondContact O-N 2.88Å; R1049-G1051 VanDerWaalsContact C-N 3.29Å |
| 1050 | L | 71.5 | Confident | 85.3 | Confident | 89 Ų | 89 | 40 Ų | 40 | 47% | 0.466 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -78.2 | -12 | 172.5 | -65 | 176.1 | 0 | 0 | 0 | 113.1 | H1046 Y1047 L1052 | H1046-L1050 PolarHBondContact O-N 2.87Å; Y1047-L1050 PolarHBondContact O-N 3.48Å; Y1047-L1050 VanDerWaalsContact O-N 3.07Å; L1050-L1052 HydrophobicContact CB-CG 4.31Å |
| 1051 | G | 69.6 | Low | 85.3 | Confident | 14 Ų | 14 | 43.9 Ų | 43.9 | 14% | 0.144 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | 7.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115 | Y1047 R1049 | Y1047-G1051 PolarHBondContact O-N 3.47Å; Y1047-G1051 VanDerWaalsContact O-N 3.15Å; R1049-G1051 VanDerWaalsContact C-N 3.29Å |
| 1052 | L | 81.6 | Confident | 85.4 | Confident | 18 Ų | 18 | 41.7 Ų | 41.7 | 9% | 0.094 | 20% | 0.202 | C | C | . | . | trans | -73.8 | 138 | 174.6 | -55.4 | 178.7 | 0 | 0 | 0 | 110.4 | K413 R414 Y1047 L1050 I1107 E1108 | K413-L1052 HydrophobicContact CB-CD1 4.28Å; K413-L1052 HydrophobicContact CB-CD2 3.96Å; K413-L1052 HydrophobicContact CG-CD2 4.24Å; R414-L1052 HydrophobicContact CB-CD1 4.32Å; R414-L1052 HydrophobicContact CG-CD1 4.21Å; Y1047-L1052 HydrophobicContact CD1-CD1 4.44Å; Y1047-L1052 HydrophobicContact CG-CD1 4.34Å; Y1047-L1052 PolarHBondContact O-N 3.07Å; L1050-L1052 HydrophobicContact CB-CG 4.31Å; L1052-I1107 CarbonylContact C-O 3.4Å; L1052-I1107 WeakPolarHBondContact CA-O 3.22Å; L1052-E1108 HydrophobicContact CD2-CB 3.81Å; L1052-E1108 HydrophobicContact CD2-CG 4.45Å | ||
| 1053 | R | 80.9 | Confident | 85.5 | Confident | 56 Ų | 56 | 39.6 Ų | 39.6 | 21% | 0.211 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -70 | 128.9 | 165 | -58.2 | 179.5 | 176.8 | -158.7 | 5 | 108.6 | M410 D949 I1107 D1109 | M410-R1053 VanDerWaalsContact CE-NH2 3.28Å; D949-R1053 IonicContact OD1-CZ 2.68Å; D949-R1053 IonicContact OD1-NH1 2.58Å; D949-R1053 PolarHBondContact OD1-NH1 3.19Å; D949-R1053 WeakPolarHBondContact OD2-CD 3.38Å; D949-R1053 IonicContact OD2-CZ 2.78Å; D949-R1053 IonicContact OD2-NH1 2.93Å; D949-R1053 PolarHBondContact OD2-NH1 2.93Å; R1053-I1107 HydrophobicContact CB-CB 4.36Å; R1053-I1107 PolarHBondContact N-O 3.11Å; R1053-I1107 PolarHBondContact O-N 3.37Å; R1053-D1109 IonicContact CZ-OD2 3.45Å; R1053-D1109 IonicContact NE-OD2 2.97Å; R1053-D1109 IonicContact NH2-OD2 3.89Å; R1053-D1109 PolarHBondContact NH2-OD2 3.32Å |
| 1054 | T | 87.9 | Confident | 85.4 | Confident | 22 Ų | 22 | 41.3 Ų | 41.3 | 14% | 0.135 | 21% | 0.207 | C | C | . | . | trans | -109.8 | 127.1 | -179.1 | 57.5 | 0 | 0 | 0 | 0 | 112.1 | I1044 Y1047 T1105 | I1044-T1054 HydrophobicContact CG2-CG2 4.19Å; Y1047-T1054 HydrophobicContact CD2-CG2 4.1Å; Y1047-T1054 HydrophobicContact CG-CG2 4.39Å; T1054-T1105 WeakPolarHBondContact CA-O 3.34Å | ||
| 1055 | L | 91.2 | Very high | 85.5 | Confident | 35 Ų | 35 | 48 Ų | 48 | 18% | 0.183 | 24% | 0.242 | C | C | . | . | trans | -118.3 | 135.5 | 167.8 | -62.1 | 171.2 | 0 | 0 | 0 | 109.3 | L953 G1017 A1104 T1105 I1107 | L953-L1055 HydrophobicContact CD1-CD1 4.22Å; G1017-L1055 CarbonylContact O-C 3.54Å; G1017-L1055 WeakPolarHBondContact O-CA 3.3Å; L1055-A1104 CarbonylContact O-C 2.92Å; L1055-A1104 VanDerWaalsContact O-CA 3.22Å; L1055-A1104 WeakPolarHBondContact O-CA 3.42Å; L1055-T1105 PolarHBondContact N-OG1 2.87Å; L1055-T1105 PolarHBondContact O-N 3.1Å; L1055-T1105 PolarHBondContact O-OG1 3.48Å; L1055-I1107 HydrophobicContact CD1-CD1 4.34Å | ||
| 1056 | V | 93.9 | Very high | 86 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 141.1 | 173.3 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | K1016 G1017 D1019 I1022 M1023 I1044 L1101 A1104 | K1016-V1056 VanDerWaalsContact CA-O 3.32Å; K1016-V1056 WeakPolarHBondContact CA-O 3.48Å; G1017-V1056 PolarHBondContact N-O 3.02Å; G1017-V1056 VanDerWaalsContact N-O 3.1Å; G1017-V1056 PolarHBondContact O-N 3.15Å; D1019-V1056 HydrophobicContact CB-CG2 4.19Å; I1022-V1056 HydrophobicContact CB-CB 4.18Å; I1022-V1056 HydrophobicContact CB-CG1 4.16Å; I1022-V1056 HydrophobicContact CD1-CB 4.37Å; I1022-V1056 VanDerWaalsContact CD1-O 3.3Å; I1022-V1056 WeakPolarHBondContact CD1-O 3.22Å; I1022-V1056 HydrophobicContact CG2-CB 4.2Å; I1022-V1056 HydrophobicContact CG2-CG1 3.64Å; M1023-V1056 HydrophobicContact CG-CG2 4.31Å; M1023-V1056 HydrophobicContact SD-CG1 4.13Å; M1023-V1056 HydrophobicContact SD-CG2 4.19Å; I1044-V1056 HydrophobicContact CD1-CG2 3.6Å; V1056-L1101 HydrophobicContact CG1-CD1 3.46Å; V1056-L1101 VanDerWaalsContact CG1-CD1 3.46Å; V1056-A1104 HydrophobicContact CG2-CB 4.26Å |
| 1057 | I | 94.7 | Very high | 86.3 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.015 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 128.2 | 178.3 | -58.8 | -179.9 | 0 | 0 | 0 | 108.6 | Y548 A551 L552 T1015 K1016 L1102 G1103 T1105 | Y548-I1057 HydrophobicContact CD2-CB 4.42Å; Y548-I1057 HydrophobicContact CD2-CD1 4.42Å; Y548-I1057 HydrophobicContact CE2-CB 4.31Å; Y548-I1057 HydrophobicContact CE2-CD1 3.92Å; Y548-I1057 HydrophobicContact CE2-CG1 4.5Å; A551-I1057 HydrophobicContact CB-CG2 3.73Å; L552-I1057 HydrophobicContact CD2-CD1 3.43Å; L552-I1057 VanDerWaalsContact CD2-CD1 3.43Å; L552-I1057 HydrophobicContact CG-CD1 3.96Å; T1015-I1057 WeakPolarHBondContact O-CA 3.48Å; K1016-I1057 HydrophobicContact CB-CG1 4.22Å; I1057-L1102 HydrophobicContact CG2-CB 4.49Å; I1057-L1102 HydrophobicContact CG2-CD1 4.24Å; I1057-L1102 PolarHBondContact O-N 3.42Å; I1057-L1102 VanDerWaalsContact O-N 3.1Å; I1057-G1103 PolarHBondContact N-O 2.77Å; I1057-G1103 PolarHBondContact O-N 3.01Å; I1057-G1103 VanDerWaalsContact O-N 3.16Å; I1057-T1105 HydrophobicContact CD1-CG2 4.02Å |
| 1058 | A | 93.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 159 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | T1015 I1022 L1026 F1099 I1100 | T1015-A1058 HydrophobicContact CG2-CB 3.96Å; T1015-A1058 PolarHBondContact N-O 3.33Å; T1015-A1058 PolarHBondContact O-N 3.35Å; I1022-A1058 HydrophobicContact CG2-CB 3.89Å; L1026-A1058 HydrophobicContact CD2-CB 4.04Å; A1058-F1099 HydrophobicContact CB-CB 3.93Å; A1058-F1099 HydrophobicContact CB-CG 4.38Å; A1058-I1100 CarbonylContact C-O 3.53Å; A1058-I1100 VanDerWaalsContact CA-O 3.24Å; A1058-I1100 WeakPolarHBondContact CA-O 3.44Å; A1058-I1100 VanDerWaalsContact CB-O 3.26Å; A1058-I1100 WeakPolarHBondContact CB-O 3.38Å |
| 1059 | E | 93.1 | Very high | 87.4 | Confident | 19 Ų | 19 | 54.3 Ų | 54.3 | 9% | 0.089 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 162.2 | -174.4 | 68.3 | 177.7 | 176.8 | 0 | 0 | 112.1 | L1013 F1014 F1099 I1100 L1102 | L1013-E1059 CarbonylContact O-C 3.56Å; L1013-E1059 WeakPolarHBondContact O-CA 3.42Å; F1014-E1059 HydrophobicContact CD1-CB 3.64Å; F1014-E1059 HydrophobicContact CE1-CB 3.77Å; E1059-F1099 CarbonylContact O-C 3.53Å; E1059-F1099 WeakPolarHBondContact O-CA 3.5Å; E1059-I1100 HydrophobicContact CG-CB 3.87Å; E1059-I1100 HydrophobicContact CG-CG2 4.36Å; E1059-I1100 PolarHBondContact N-O 3.34Å; E1059-I1100 PolarHBondContact O-N 3.49Å; E1059-L1102 HydrophobicContact CB-CD1 4.02Å; E1059-L1102 HydrophobicContact CB-CG 4.31Å; E1059-L1102 HydrophobicContact CG-CD1 4.31Å; E1059-L1102 HydrophobicContact CG-CD2 4.28Å; E1059-L1102 HydrophobicContact CG-CG 4.09Å |
| 1060 | R | 91.4 | Very high | 88.4 | Confident | 27 Ų | 27 | 47.1 Ų | 47.1 | 10% | 0.102 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 127.7 | 167.6 | 171.3 | 168.3 | 172.6 | -167 | -6.4 | 109.9 | L1013 L1062 E1066 L1095 S1097 F1099 | L1013-R1060 HydrophobicContact CB-CB 4.43Å; L1013-R1060 PolarHBondContact N-O 2.96Å; L1013-R1060 PolarHBondContact O-N 3.29Å; R1060-L1062 HydrophobicContact CG-CD2 4.22Å; R1060-E1066 IonicContact CZ-OE1 3.76Å; R1060-E1066 IonicContact CZ-OE2 3.74Å; R1060-E1066 IonicContact NH2-OE1 2.59Å; R1060-E1066 PolarHBondContact NH2-OE1 3.15Å; R1060-E1066 IonicContact NH2-OE2 3.76Å; R1060-E1066 PolarHBondContact NH2-OE2 3.33Å; R1060-L1095 PolarHBondContact NH1-O 3.21Å; R1060-L1095 VanDerWaalsContact NH1-O 3.15Å; R1060-S1097 WeakPolarHBondContact CD-O 3.24Å; R1060-S1097 PolarHBondContact NH1-O 2.79Å; R1060-F1099 HydrophobicContact CB-CD1 3.82Å; R1060-F1099 HydrophobicContact CB-CE1 4.22Å |
| 1061 | L | 90.2 | Very high | 89.2 | Confident | 82 Ų | 82 | 45.1 Ų | 45.1 | 43% | 0.429 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 134.9 | 161.5 | -89.6 | 73.4 | 0 | 0 | 0 | 109.2 | I1012 | I1012-L1061 HydrophobicContact CD1-CD1 4.26Å; I1012-L1061 HydrophobicContact CG1-CD1 4.34Å; I1012-L1061 HydrophobicContact CG1-CG 4.39Å |
| 1062 | L | 90.7 | Very high | 90 | Very high | 8 Ų | 8 | 50.6 Ų | 50.6 | 4% | 0.042 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -103.3 | 148.8 | 168.9 | -61.5 | 175.5 | 0 | 0 | 0 | 109.1 | I1002 P1011 L1013 R1060 L1067 L1095 | I1002-L1062 HydrophobicContact CG2-CD1 4.25Å; P1011-L1062 HydrophobicContact CG-CB 4.22Å; P1011-L1062 WeakPolarHBondContact CG-O 3.47Å; P1011-L1062 PolarHBondContact O-N 3.23Å; L1013-L1062 HydrophobicContact CB-CD1 4.19Å; L1013-L1062 HydrophobicContact CB-CG 4.33Å; R1060-L1062 HydrophobicContact CG-CD2 4.22Å; L1062-L1067 HydrophobicContact CD1-CD1 4.5Å; L1062-L1095 HydrophobicContact CD1-CD1 4.16Å; L1062-L1095 HydrophobicContact CD2-CD1 3.79Å |
| 1063 | T | 91.6 | Very high | 90.2 | Very high | 86 Ų | 86 | 52 Ų | 52 | 53% | 0.528 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -81.6 | 153.6 | 164.1 | 63 | 0 | 0 | 0 | 0 | 109.6 | D1065 E1066 L1067 | T1063-D1065 VanDerWaalsContact C-N 3.27Å; T1063-D1065 PolarHBondContact O-N 3.09Å; T1063-E1066 PolarHBondContact O-N 2.98Å; T1063-E1066 VanDerWaalsContact O-N 3.12Å; T1063-E1066 WeakPolarHBondContact OG1-CB 3.5Å; T1063-E1066 PolarHBondContact OG1-N 3.09Å; T1063-L1067 PolarHBondContact O-N 3.48Å |
| 1064 | E | 89.8 | Confident | 90.3 | Very high | 71 Ų | 71 | 49.4 Ų | 49.4 | 33% | 0.332 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.7 | -41.2 | 177.7 | -164.3 | 66.1 | -138.9 | 0 | 0 | 111.1 | R1004 E1066 L1067 Q1068 | R1004-E1064 IonicContact CZ-OE2 2.75Å; R1004-E1064 VanDerWaalsContact CZ-OE2 3.26Å; R1004-E1064 IonicContact NH1-OE2 2.81Å; R1004-E1064 PolarHBondContact NH1-OE2 3.1Å; R1004-E1064 IonicContact NH2-OE1 2.73Å; R1004-E1064 PolarHBondContact NH2-OE1 3.18Å; R1004-E1064 IonicContact NH2-OE2 3.91Å; R1004-E1064 PolarHBondContact NH2-OE2 2.81Å; E1064-E1066 VanDerWaalsContact C-N 3.33Å; E1064-E1066 PolarHBondContact O-N 3.14Å; E1064-L1067 PolarHBondContact O-N 3.44Å; E1064-Q1068 HydrophobicContact CG-CG 4.27Å; E1064-Q1068 WeakPolarHBondContact O-CB 3.46Å; E1064-Q1068 VanDerWaalsContact O-CG 3.24Å; E1064-Q1068 WeakPolarHBondContact O-CG 3.37Å; E1064-Q1068 PolarHBondContact O-N 2.93Å; E1064-Q1068 PolarHBondContact OE1-NE2 2.88Å |
| 1065 | D | 90.4 | Very high | 89.9 | Confident | 139 Ų | 139 | 56 Ų | 56 | 74% | 0.743 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -59.9 | -39.1 | 175.2 | -65.4 | -35.5 | 0 | 0 | 0 | 113.1 | T1063 K1069 | T1063-D1065 VanDerWaalsContact C-N 3.27Å; T1063-D1065 PolarHBondContact O-N 3.09Å; D1065-K1069 WeakPolarHBondContact O-CB 3.21Å; D1065-K1069 PolarHBondContact O-N 3.42Å; D1065-K1069 VanDerWaalsContact O-N 3.11Å |
| 1066 | E | 91.3 | Very high | 89.5 | Confident | 70 Ų | 70 | 59.7 Ų | 59.7 | 33% | 0.327 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -70.5 | -43 | 177.5 | -176.7 | 169.2 | -146.5 | 0 | 0 | 111.2 | R1060 T1063 E1064 W1070 | R1060-E1066 IonicContact CZ-OE1 3.76Å; R1060-E1066 IonicContact CZ-OE2 3.74Å; R1060-E1066 IonicContact NH2-OE1 2.59Å; R1060-E1066 PolarHBondContact NH2-OE1 3.15Å; R1060-E1066 IonicContact NH2-OE2 3.76Å; R1060-E1066 PolarHBondContact NH2-OE2 3.33Å; T1063-E1066 PolarHBondContact O-N 2.98Å; T1063-E1066 VanDerWaalsContact O-N 3.12Å; T1063-E1066 WeakPolarHBondContact OG1-CB 3.5Å; T1063-E1066 PolarHBondContact OG1-N 3.09Å; E1064-E1066 VanDerWaalsContact C-N 3.33Å; E1064-E1066 PolarHBondContact O-N 3.14Å; E1066-W1070 VanDerWaalsContact O-CB 3.28Å; E1066-W1070 WeakPolarHBondContact O-CB 3.09Å; E1066-W1070 PolarHBondContact O-N 2.92Å |
| 1067 | L | 90.2 | Very high | 88.8 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60 | -53.2 | 175.4 | 175 | 66.7 | 0 | 0 | 0 | 111.5 | L987 I1002 P1011 L1062 T1063 E1064 K1069 W1070 L1071 | L987-L1067 HydrophobicContact CD1-CD2 3.82Å; I1002-L1067 HydrophobicContact CG2-CD1 4.02Å; P1011-L1067 HydrophobicContact CB-CD2 3.78Å; P1011-L1067 HydrophobicContact CG-CD2 4.1Å; L1062-L1067 HydrophobicContact CD1-CD1 4.5Å; T1063-L1067 PolarHBondContact O-N 3.48Å; E1064-L1067 PolarHBondContact O-N 3.44Å; L1067-K1069 VanDerWaalsContact C-N 3.31Å; L1067-K1069 PolarHBondContact O-N 2.93Å; L1067-W1070 PolarHBondContact O-N 3.06Å; L1067-W1070 VanDerWaalsContact O-N 3.15Å; L1067-L1071 HydrophobicContact CD1-CD1 3.94Å; L1067-L1071 HydrophobicContact CD1-CG 4.06Å; L1067-L1071 HydrophobicContact CG-CD1 3.91Å; L1067-L1071 HydrophobicContact CG-CG 4.41Å; L1067-L1071 WeakPolarHBondContact O-CB 3.31Å; L1067-L1071 WeakPolarHBondContact O-CG 3.44Å; L1067-L1071 PolarHBondContact O-N 2.78Å |
| 1068 | Q | 90.8 | Very high | 87.6 | Confident | 103 Ų | 103 | 65.4 Ų | 65.4 | 48% | 0.481 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63 | -39.3 | -177.4 | -65.6 | -61.5 | -26.1 | 0 | 0 | 111.4 | E1064 K1072 | E1064-Q1068 HydrophobicContact CG-CG 4.27Å; E1064-Q1068 WeakPolarHBondContact O-CB 3.46Å; E1064-Q1068 VanDerWaalsContact O-CG 3.24Å; E1064-Q1068 WeakPolarHBondContact O-CG 3.37Å; E1064-Q1068 PolarHBondContact O-N 2.93Å; E1064-Q1068 PolarHBondContact OE1-NE2 2.88Å; Q1068-K1072 PolarHBondContact O-N 3.32Å; Q1068-K1072 VanDerWaalsContact O-N 3.15Å |
| 1069 | K | 91 | Very high | 86.5 | Confident | 134 Ų | 134 | 69.4 Ų | 69.4 | 58% | 0.583 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.5 | -43.4 | 173.4 | -174.9 | -173.5 | 172.5 | -161.4 | 0 | 112 | D1065 L1067 K1072 E1073 | D1065-K1069 WeakPolarHBondContact O-CB 3.21Å; D1065-K1069 PolarHBondContact O-N 3.42Å; D1065-K1069 VanDerWaalsContact O-N 3.11Å; L1067-K1069 VanDerWaalsContact C-N 3.31Å; L1067-K1069 PolarHBondContact O-N 2.93Å; K1069-K1072 PolarHBondContact O-N 3.31Å; K1069-E1073 WeakPolarHBondContact CE-OE1 3.31Å; K1069-E1073 IonicContact NZ-OE1 3.32Å; K1069-E1073 PolarHBondContact O-N 3.21Å |
| 1070 | W | 91 | Very high | 85.3 | Confident | 12 Ų | 12 | 70 Ų | 70 | 5% | 0.045 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.2 | -43.6 | -179.5 | -177.6 | 83.9 | 0 | 0 | 0 | 112.1 | R988 L990 I1002 E1066 L1067 K1072 E1073 V1074 V1091 L1095 | R988-W1070 HydrophobicContact CB-CZ3 4.24Å; R988-W1070 HydrophobicContact CG-CH2 4.23Å; R988-W1070 HydrophobicContact CG-CZ3 4.19Å; L990-W1070 HydrophobicContact CD1-CH2 4.46Å; L990-W1070 HydrophobicContact CD1-CZ2 4.43Å; L990-W1070 HydrophobicContact CD2-CH2 3.77Å; L990-W1070 HydrophobicContact CD2-CZ2 3.89Å; L990-W1070 HydrophobicContact CG-CH2 4.39Å; I1002-W1070 HydrophobicContact CD1-CE3 4.05Å; I1002-W1070 HydrophobicContact CD1-CH2 4.1Å; I1002-W1070 HydrophobicContact CD1-CZ3 3.62Å; E1066-W1070 VanDerWaalsContact O-CB 3.28Å; E1066-W1070 WeakPolarHBondContact O-CB 3.09Å; E1066-W1070 PolarHBondContact O-N 2.92Å; L1067-W1070 PolarHBondContact O-N 3.06Å; L1067-W1070 VanDerWaalsContact O-N 3.15Å; W1070-K1072 PolarHBondContact O-N 2.78Å; W1070-E1073 PolarHBondContact O-N 3.26Å; W1070-E1073 VanDerWaalsContact O-N 3.17Å; W1070-V1074 HydrophobicContact CD2-CG2 3.92Å; W1070-V1074 HydrophobicContact CE3-CG2 4.08Å; W1070-V1074 HydrophobicContact CH2-CG2 3.74Å; W1070-V1074 HydrophobicContact CZ2-CG2 3.54Å; W1070-V1074 HydrophobicContact CZ3-CG2 4.01Å; W1070-V1074 WeakPolarHBondContact O-CG2 3.29Å; W1070-V1074 PolarHBondContact O-N 3.35Å; W1070-V1091 VanDerWaalsContact NE1-CG1 3.34Å; W1070-V1091 PolarHBondContact NE1-O 2.85Å; W1070-L1095 HydrophobicContact CB-CD1 4.34Å; W1070-L1095 HydrophobicContact CD2-CD1 4.41Å; W1070-L1095 HydrophobicContact CD2-CD2 3.93Å; W1070-L1095 HydrophobicContact CE3-CD2 4.33Å; W1070-L1095 HydrophobicContact CG-CD1 3.97Å; W1070-L1095 HydrophobicContact CG-CD2 4.34Å; W1070-L1095 HydrophobicContact CH2-CD2 4.44Å; W1070-L1095 HydrophobicContact CZ2-CD2 4.04Å |
| 1071 | L | 87.6 | Confident | 83.6 | Confident | 47 Ų | 47 | 76.7 Ų | 76.7 | 25% | 0.246 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.4 | -36.6 | 173.4 | -71.5 | 171.8 | 0 | 0 | 0 | 111.7 | L1067 V1074 Y1075 | L1067-L1071 HydrophobicContact CD1-CD1 3.94Å; L1067-L1071 HydrophobicContact CD1-CG 4.06Å; L1067-L1071 HydrophobicContact CG-CD1 3.91Å; L1067-L1071 HydrophobicContact CG-CG 4.41Å; L1067-L1071 WeakPolarHBondContact O-CB 3.31Å; L1067-L1071 WeakPolarHBondContact O-CG 3.44Å; L1067-L1071 PolarHBondContact O-N 2.78Å; L1071-V1074 PolarHBondContact O-N 3.11Å; L1071-Y1075 WeakPolarHBondContact O-CB 3.25Å; L1071-Y1075 PolarHBondContact O-N 3.13Å |
| 1072 | K | 86.5 | Confident | 81.8 | Confident | 129 Ų | 129 | 81.7 Ų | 81.7 | 56% | 0.561 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -69 | -47.2 | 173.7 | -170.4 | 176.7 | 176.4 | -172.3 | 0 | 113 | Q1068 K1069 W1070 V1074 Y1075 E1076 | Q1068-K1072 PolarHBondContact O-N 3.32Å; Q1068-K1072 VanDerWaalsContact O-N 3.15Å; K1069-K1072 PolarHBondContact O-N 3.31Å; W1070-K1072 PolarHBondContact O-N 2.78Å; K1072-V1074 PolarHBondContact O-N 2.73Å; K1072-Y1075 PolarHBondContact O-N 3.18Å; K1072-E1076 WeakPolarHBondContact CE-OE1 3.42Å; K1072-E1076 IonicContact NZ-OE1 2.89Å; K1072-E1076 WeakPolarHBondContact O-CG 3.42Å; K1072-E1076 PolarHBondContact O-N 3.48Å |
| 1073 | E | 87.2 | Confident | 80.3 | Confident | 48 Ų | 48 | 87.2 Ų | 87.2 | 22% | 0.224 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -58.9 | -33.4 | 174.6 | -75.7 | -171.7 | -152.9 | 0 | 0 | 111.5 | K1069 W1070 I1077 V1091 K1094 | K1069-E1073 WeakPolarHBondContact CE-OE1 3.31Å; K1069-E1073 IonicContact NZ-OE1 3.32Å; K1069-E1073 PolarHBondContact O-N 3.21Å; W1070-E1073 PolarHBondContact O-N 3.26Å; W1070-E1073 VanDerWaalsContact O-N 3.17Å; E1073-I1077 WeakPolarHBondContact O-CD1 3.37Å; E1073-I1077 VanDerWaalsContact O-CG1 3.28Å; E1073-I1077 WeakPolarHBondContact O-CG1 3.42Å; E1073-I1077 PolarHBondContact O-N 3.07Å; E1073-V1091 HydrophobicContact CB-CG1 4.32Å; E1073-V1091 HydrophobicContact CB-CG2 4.47Å; E1073-K1094 IonicContact OE1-NZ 3.26Å; E1073-K1094 IonicContact OE2-NZ 3.59Å; E1073-K1094 PolarHBondContact OE2-NZ 3.33Å |
| 1074 | V | 81.5 | Confident | 79.1 | Confident | 2 Ų | 2 | 85.3 Ų | 85.3 | 1% | 0.012 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -69.2 | -49.4 | 173.9 | 166.7 | 0 | 0 | 0 | 0 | 112.1 | W1070 L1071 K1072 E1076 I1077 E1078 M1088 V1091 | W1070-V1074 HydrophobicContact CD2-CG2 3.92Å; W1070-V1074 HydrophobicContact CE3-CG2 4.08Å; W1070-V1074 HydrophobicContact CH2-CG2 3.74Å; W1070-V1074 HydrophobicContact CZ2-CG2 3.54Å; W1070-V1074 HydrophobicContact CZ3-CG2 4.01Å; W1070-V1074 WeakPolarHBondContact O-CG2 3.29Å; W1070-V1074 PolarHBondContact O-N 3.35Å; L1071-V1074 PolarHBondContact O-N 3.11Å; K1072-V1074 PolarHBondContact O-N 2.73Å; V1074-E1076 VanDerWaalsContact C-N 3.32Å; V1074-E1076 PolarHBondContact O-N 3.43Å; V1074-I1077 PolarHBondContact O-N 2.92Å; V1074-E1078 HydrophobicContact CG1-CG 4.12Å; V1074-E1078 VanDerWaalsContact CG1-OE1 3.28Å; V1074-E1078 WeakPolarHBondContact CG1-OE1 3.39Å; V1074-E1078 WeakPolarHBondContact O-CG 3.49Å; V1074-E1078 PolarHBondContact O-N 2.72Å; V1074-M1088 HydrophobicContact CG1-CE 3.82Å; V1074-M1088 HydrophobicContact CG1-SD 4.35Å; V1074-M1088 HydrophobicContact CG2-SD 4.21Å; V1074-V1091 HydrophobicContact CG2-CG1 3.8Å |
| 1075 | Y | 80.7 | Confident | 78.1 | Confident | 159 Ų | 159 | 87.5 Ų | 87.5 | 62% | 0.624 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61.1 | -38.7 | -180 | -177.4 | -96.2 | 0 | 0 | 0 | 112.6 | L1071 K1072 I1077 T1079 | L1071-Y1075 WeakPolarHBondContact O-CB 3.25Å; L1071-Y1075 PolarHBondContact O-N 3.13Å; K1072-Y1075 PolarHBondContact O-N 3.18Å; Y1075-I1077 PolarHBondContact O-N 2.82Å; Y1075-T1079 HydrophobicContact CE1-CG2 4.31Å; Y1075-T1079 HydrophobicContact CE2-CG2 4.41Å; Y1075-T1079 WeakPolarHBondContact O-CG2 3.39Å; Y1075-T1079 PolarHBondContact O-N 2.75Å; Y1075-T1079 PolarHBondContact O-OG1 3.14Å |
| 1076 | E | 81.4 | Confident | 77.3 | Confident | 114 Ų | 114 | 87 Ų | 87 | 53% | 0.533 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.8 | -20.7 | 174 | -71.2 | 178.9 | 175.4 | 0 | 0 | 113.3 | K1072 V1074 | K1072-E1076 WeakPolarHBondContact CE-OE1 3.42Å; K1072-E1076 IonicContact NZ-OE1 2.89Å; K1072-E1076 WeakPolarHBondContact O-CG 3.42Å; K1072-E1076 PolarHBondContact O-N 3.48Å; V1074-E1076 VanDerWaalsContact C-N 3.32Å; V1074-E1076 PolarHBondContact O-N 3.43Å |
| 1077 | I | 80.7 | Confident | 76.8 | Confident | 28 Ų | 28 | 85.2 Ų | 85.2 | 14% | 0.144 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -93.3 | -40.8 | 177.1 | -71.8 | 169.9 | 0 | 0 | 0 | 111.7 | E1073 V1074 Y1075 T1079 G1080 S1084 A1087 M1088 V1091 | E1073-I1077 WeakPolarHBondContact O-CD1 3.37Å; E1073-I1077 VanDerWaalsContact O-CG1 3.28Å; E1073-I1077 WeakPolarHBondContact O-CG1 3.42Å; E1073-I1077 PolarHBondContact O-N 3.07Å; V1074-I1077 PolarHBondContact O-N 2.92Å; Y1075-I1077 PolarHBondContact O-N 2.82Å; I1077-T1079 PolarHBondContact O-N 3.46Å; I1077-G1080 PolarHBondContact O-N 2.84Å; I1077-S1084 WeakPolarHBondContact CG2-O 3.19Å; I1077-S1084 WeakPolarHBondContact O-CB 3.2Å; I1077-A1087 HydrophobicContact CD1-CB 4.01Å; I1077-A1087 HydrophobicContact CG1-CB 4.22Å; I1077-A1087 HydrophobicContact CG2-CB 4.03Å; I1077-M1088 HydrophobicContact CG2-CB 3.95Å; I1077-V1091 HydrophobicContact CD1-CB 4.05Å; I1077-V1091 HydrophobicContact CD1-CG2 3.45Å; I1077-V1091 VanDerWaalsContact CD1-CG2 3.45Å |
| 1078 | E | 69.4 | Low | 76.3 | Confident | 94 Ų | 94 | 86.7 Ų | 86.7 | 44% | 0.439 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.5 | -24.2 | 177.5 | -72.1 | 177.5 | 174.4 | 0 | 0 | 112.3 | R988 V1074 M1088 | R988-E1078 IonicContact CZ-OE1 3.98Å; R988-E1078 IonicContact CZ-OE2 2.94Å; R988-E1078 IonicContact NH2-OE1 3.73Å; R988-E1078 PolarHBondContact NH2-OE1 3.04Å; R988-E1078 IonicContact NH2-OE2 3.8Å; R988-E1078 PolarHBondContact NH2-OE2 3.26Å; V1074-E1078 HydrophobicContact CG1-CG 4.12Å; V1074-E1078 VanDerWaalsContact CG1-OE1 3.28Å; V1074-E1078 WeakPolarHBondContact CG1-OE1 3.39Å; V1074-E1078 WeakPolarHBondContact O-CG 3.49Å; V1074-E1078 PolarHBondContact O-N 2.72Å; E1078-M1088 HydrophobicContact CG-CE 4.07Å; E1078-M1088 WeakPolarHBondContact OE1-CE 3.06Å |
| 1079 | T | 71.1 | Confident | 75.8 | Confident | 85 Ų | 85 | 84.7 Ų | 84.7 | 52% | 0.521 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 3.9 | 173.8 | 51.8 | 0 | 0 | 0 | 0 | 114.2 | Y1075 I1077 | Y1075-T1079 HydrophobicContact CE1-CG2 4.31Å; Y1075-T1079 HydrophobicContact CE2-CG2 4.41Å; Y1075-T1079 WeakPolarHBondContact O-CG2 3.39Å; Y1075-T1079 PolarHBondContact O-N 2.75Å; Y1075-T1079 PolarHBondContact O-OG1 3.14Å; I1077-T1079 PolarHBondContact O-N 3.46Å |
| 1080 | G | 67.1 | Low | 75.6 | Confident | 32 Ų | 32 | 83.1 Ų | 83.1 | 33% | 0.33 | 43% | 0.428 | S | S | . | . | trans | -101.1 | 123.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115 | I1077 E1082 S1084 | I1077-G1080 PolarHBondContact O-N 2.84Å; G1080-E1082 PolarHBondContact O-N 2.94Å; G1080-S1084 WeakPolarHBondContact O-CB 3.34Å | ||
| 1081 | N | 56 | Low | 75.5 | Confident | 166 Ų | 166 | 82.9 Ų | 82.9 | 89% | 0.888 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -25.6 | -161.8 | -81.5 | -10.9 | 0 | 0 | 0 | 119.2 | ||
| 1082 | E | 51.9 | Low | 75.6 | Confident | 187 Ų | 187 | 81.6 Ų | 81.6 | 87% | 0.874 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.6 | -13.1 | -166 | -67.2 | -166.3 | 152.7 | 0 | 0 | 117.4 | G1080 | G1080-E1082 PolarHBondContact O-N 2.94Š|
| 1083 | N | 58.6 | Low | 75.6 | Confident | 124 Ų | 124 | 78.8 Ų | 78.8 | 66% | 0.663 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.1 | 15.2 | -178.1 | -96.1 | -7.6 | 0 | 0 | 0 | 113.5 | T1085 E1086 A1087 | N1083-T1085 PolarHBondContact O-N 2.87Å; N1083-E1086 PolarHBondContact O-N 3.27Å; N1083-A1087 WeakPolarHBondContact O-CB 3.14Å; N1083-A1087 PolarHBondContact O-N 3.19Å |
| 1084 | S | 66.3 | Low | 75.7 | Confident | 46 Ų | 46 | 81.7 Ų | 81.7 | 32% | 0.322 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.2 | -38.8 | -167.9 | 55.4 | 0 | 0 | 0 | 0 | 114 | I1077 G1080 A1087 M1088 | I1077-S1084 WeakPolarHBondContact CG2-O 3.19Å; I1077-S1084 WeakPolarHBondContact O-CB 3.2Å; G1080-S1084 WeakPolarHBondContact O-CB 3.34Å; S1084-A1087 PolarHBondContact O-N 3.31Å; S1084-M1088 WeakPolarHBondContact O-CB 3.29Å; S1084-M1088 PolarHBondContact O-N 3.15Å |
| 1085 | T | 69 | Low | 76.1 | Confident | 118 Ų | 118 | 81.8 Ų | 81.8 | 72% | 0.724 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -65.5 | -45.1 | -177.5 | 50.2 | 0 | 0 | 0 | 0 | 113.7 | N1083 M1089 | N1083-T1085 PolarHBondContact O-N 2.87Å; T1085-M1089 WeakPolarHBondContact O-CB 3.26Å; T1085-M1089 PolarHBondContact O-N 2.91Å |
| 1086 | E | 75 | Confident | 76.7 | Confident | 128 Ų | 128 | 74.2 Ų | 74.2 | 60% | 0.598 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -72 | -37.8 | 178.9 | -165.1 | 173.7 | -123.7 | 0 | 0 | 111.2 | N1083 M1089 I1090 | N1083-E1086 PolarHBondContact O-N 3.27Å; E1086-M1089 PolarHBondContact O-N 3.4Å; E1086-I1090 WeakPolarHBondContact O-CG1 3.4Å; E1086-I1090 PolarHBondContact O-N 3.17Å |
| 1087 | A | 79.5 | Confident | 77.1 | Confident | 33 Ų | 33 | 70.4 Ų | 70.4 | 27% | 0.273 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.3 | -43.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1077 N1083 S1084 I1090 V1091 | I1077-A1087 HydrophobicContact CD1-CB 4.01Å; I1077-A1087 HydrophobicContact CG1-CB 4.22Å; I1077-A1087 HydrophobicContact CG2-CB 4.03Å; N1083-A1087 WeakPolarHBondContact O-CB 3.14Å; N1083-A1087 PolarHBondContact O-N 3.19Å; S1084-A1087 PolarHBondContact O-N 3.31Å; A1087-I1090 WeakPolarHBondContact O-CB 3.32Å; A1087-I1090 PolarHBondContact O-N 2.99Å; A1087-V1091 PolarHBondContact O-N 3.24Å |
| 1088 | M | 79.7 | Confident | 77.5 | Confident | 31 Ų | 31 | 73.9 Ų | 73.9 | 15% | 0.153 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.6 | -44.7 | 176.4 | -179.2 | 61.2 | 132.7 | 0 | 0 | 110.6 | V1074 I1077 E1078 S1084 I1090 V1091 M1092 | V1074-M1088 HydrophobicContact CG1-CE 3.82Å; V1074-M1088 HydrophobicContact CG1-SD 4.35Å; V1074-M1088 HydrophobicContact CG2-SD 4.21Å; I1077-M1088 HydrophobicContact CG2-CB 3.95Å; E1078-M1088 HydrophobicContact CG-CE 4.07Å; E1078-M1088 WeakPolarHBondContact OE1-CE 3.06Å; S1084-M1088 WeakPolarHBondContact O-CB 3.29Å; S1084-M1088 PolarHBondContact O-N 3.15Å; M1088-I1090 VanDerWaalsContact C-N 3.27Å; M1088-I1090 PolarHBondContact O-N 3.23Å; M1088-V1091 PolarHBondContact O-N 3.01Å; M1088-V1091 VanDerWaalsContact O-N 3.09Å; M1088-M1092 HydrophobicContact CE-CE 3.83Å; M1088-M1092 HydrophobicContact CG-CE 3.6Å; M1088-M1092 HydrophobicContact CG-CG 4.43Å; M1088-M1092 HydrophobicContact CG-SD 4.25Å; M1088-M1092 VanDerWaalsContact O-CG 3.3Å; M1088-M1092 WeakPolarHBondContact O-CG 3.19Å; M1088-M1092 PolarHBondContact O-N 2.88Å; M1088-M1092 HydrophobicContact SD-CE 3.85Å; M1088-M1092 HydrophobicContact SD-CG 4.38Å |
| 1089 | M | 81.1 | Confident | 78.5 | Confident | 62 Ų | 62 | 69.5 Ų | 69.5 | 31% | 0.305 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59 | -38.1 | 175.9 | -170.7 | 173.3 | 67.3 | 0 | 0 | 112.2 | R996 T1085 E1086 D1093 | R996-M1089 HydrophobicContact CG-CG 4.49Å; T1085-M1089 WeakPolarHBondContact O-CB 3.26Å; T1085-M1089 PolarHBondContact O-N 2.91Å; E1086-M1089 PolarHBondContact O-N 3.4Å; M1089-D1093 WeakPolarHBondContact O-CB 3.02Å; M1089-D1093 PolarHBondContact O-N 3.45Å |
| 1090 | I | 86.4 | Confident | 79.5 | Confident | 101 Ų | 101 | 68.7 Ų | 68.7 | 52% | 0.518 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.8 | -40.8 | 174.6 | -67.3 | 164.8 | 0 | 0 | 0 | 111.6 | E1086 A1087 M1088 D1093 K1094 | E1086-I1090 WeakPolarHBondContact O-CG1 3.4Å; E1086-I1090 PolarHBondContact O-N 3.17Å; A1087-I1090 WeakPolarHBondContact O-CB 3.32Å; A1087-I1090 PolarHBondContact O-N 2.99Å; M1088-I1090 VanDerWaalsContact C-N 3.27Å; M1088-I1090 PolarHBondContact O-N 3.23Å; I1090-D1093 PolarHBondContact O-N 2.95Å; I1090-K1094 WeakPolarHBondContact O-CG 3.11Å; I1090-K1094 PolarHBondContact O-N 3.28Å; I1090-K1094 VanDerWaalsContact O-N 3.14Å |
| 1091 | V | 88.5 | Confident | 80.6 | Confident | 6 Ų | 6 | 67.5 Ų | 67.5 | 4% | 0.036 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -72.3 | -31.2 | 178.6 | 164.3 | 0 | 0 | 0 | 0 | 112.7 | W1070 E1073 V1074 I1077 A1087 M1088 | W1070-V1091 VanDerWaalsContact NE1-CG1 3.34Å; W1070-V1091 PolarHBondContact NE1-O 2.85Å; E1073-V1091 HydrophobicContact CB-CG1 4.32Å; E1073-V1091 HydrophobicContact CB-CG2 4.47Å; V1074-V1091 HydrophobicContact CG2-CG1 3.8Å; I1077-V1091 HydrophobicContact CD1-CB 4.05Å; I1077-V1091 HydrophobicContact CD1-CG2 3.45Å; I1077-V1091 VanDerWaalsContact CD1-CG2 3.45Å; A1087-V1091 PolarHBondContact O-N 3.24Å; M1088-V1091 PolarHBondContact O-N 3.01Å; M1088-V1091 VanDerWaalsContact O-N 3.09Å |
| 1092 | M | 90.1 | Very high | 82.3 | Confident | 20 Ų | 20 | 59.6 Ų | 59.6 | 10% | 0.099 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.6 | -48.9 | 168 | -67.1 | 178.7 | 173.1 | 0 | 0 | 111.5 | L990 M1088 K1094 L1095 E1096 | L990-M1092 HydrophobicContact CD2-CE 3.63Å; L990-M1092 HydrophobicContact CD2-CG 3.73Å; L990-M1092 HydrophobicContact CD2-SD 4.04Å; M1088-M1092 HydrophobicContact CE-CE 3.83Å; M1088-M1092 HydrophobicContact CG-CE 3.6Å; M1088-M1092 HydrophobicContact CG-CG 4.43Å; M1088-M1092 HydrophobicContact CG-SD 4.25Å; M1088-M1092 VanDerWaalsContact O-CG 3.3Å; M1088-M1092 WeakPolarHBondContact O-CG 3.19Å; M1088-M1092 PolarHBondContact O-N 2.88Å; M1088-M1092 HydrophobicContact SD-CE 3.85Å; M1088-M1092 HydrophobicContact SD-CG 4.38Å; M1092-K1094 PolarHBondContact O-N 2.69Å; M1092-L1095 PolarHBondContact O-N 2.94Å; M1092-L1095 VanDerWaalsContact O-N 3.12Å; M1092-E1096 WeakPolarHBondContact O-CB 3.29Å; M1092-E1096 WeakPolarHBondContact O-CG 3.37Å; M1092-E1096 PolarHBondContact O-N 3.01Å |
| 1093 | D | 87.4 | Confident | 84.2 | Confident | 70 Ų | 70 | 50.7 Ų | 50.7 | 37% | 0.374 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.8 | -19.3 | -176.5 | -152.3 | 50.7 | 0 | 0 | 0 | 113.6 | R998 R1025 M1089 I1090 | R998-D1093 IonicContact CZ-OD1 2.69Å; R998-D1093 IonicContact NH1-OD1 3.71Å; R998-D1093 IonicContact NH2-OD1 2.7Å; R998-D1093 PolarHBondContact NH2-OD1 3.03Å; R1025-D1093 IonicContact CZ-OD1 3.29Å; R1025-D1093 IonicContact NE-OD1 2.69Å; R1025-D1093 PolarHBondContact NE-OD1 2.75Å; R1025-D1093 IonicContact NH2-OD1 2.61Å; R1025-D1093 PolarHBondContact NH2-OD1 3.11Å; R1025-D1093 IonicContact NH2-OD2 3.92Å; R1025-D1093 PolarHBondContact NH2-OD2 3.15Å; M1089-D1093 WeakPolarHBondContact O-CB 3.02Å; M1089-D1093 PolarHBondContact O-N 3.45Å; I1090-D1093 PolarHBondContact O-N 2.95Å |
| 1094 | K | 87.8 | Confident | 85.9 | Confident | 110 Ų | 110 | 44.8 Ų | 44.8 | 48% | 0.478 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.9 | -54.6 | 165.6 | -73.8 | 176.1 | -170.2 | 174.9 | 0 | 111.9 | E1073 I1090 M1092 S1097 | E1073-K1094 IonicContact OE1-NZ 3.26Å; E1073-K1094 IonicContact OE2-NZ 3.59Å; E1073-K1094 PolarHBondContact OE2-NZ 3.33Å; I1090-K1094 WeakPolarHBondContact O-CG 3.11Å; I1090-K1094 PolarHBondContact O-N 3.28Å; I1090-K1094 VanDerWaalsContact O-N 3.14Å; M1092-K1094 PolarHBondContact O-N 2.69Å; K1094-S1097 PolarHBondContact O-OG 3.45Å |
| 1095 | L | 91.3 | Very high | 87.2 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68 | -39.2 | -174.1 | -170.7 | 79.8 | 0 | 0 | 0 | 111 | L990 I1002 L1013 R1060 L1062 W1070 M1092 S1097 | L990-L1095 HydrophobicContact CD1-CD2 4.22Å; I1002-L1095 HydrophobicContact CD1-CD2 3.74Å; L1013-L1095 HydrophobicContact CD1-CD2 4.25Å; L1013-L1095 HydrophobicContact CD2-CD2 4.14Å; L1013-L1095 HydrophobicContact CD2-CG 4.08Å; R1060-L1095 PolarHBondContact NH1-O 3.21Å; R1060-L1095 VanDerWaalsContact NH1-O 3.15Å; L1062-L1095 HydrophobicContact CD1-CD1 4.16Å; L1062-L1095 HydrophobicContact CD2-CD1 3.79Å; W1070-L1095 HydrophobicContact CB-CD1 4.34Å; W1070-L1095 HydrophobicContact CD2-CD1 4.41Å; W1070-L1095 HydrophobicContact CD2-CD2 3.93Å; W1070-L1095 HydrophobicContact CE3-CD2 4.33Å; W1070-L1095 HydrophobicContact CG-CD1 3.97Å; W1070-L1095 HydrophobicContact CG-CD2 4.34Å; W1070-L1095 HydrophobicContact CH2-CD2 4.44Å; W1070-L1095 HydrophobicContact CZ2-CD2 4.04Å; M1092-L1095 PolarHBondContact O-N 2.94Å; M1092-L1095 VanDerWaalsContact O-N 3.12Å; L1095-S1097 PolarHBondContact O-N 3.37Å |
| 1096 | E | 91.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -77.1 | 60.8 | 179.5 | -61.8 | 179.8 | 124.1 | 0 | 0 | 111.4 | L990 R996 R998 S1000 R1025 M1092 F1099 | L990-E1096 HydrophobicContact CD1-CG 4.25Å; R996-E1096 IonicContact CZ-OE1 3.73Å; R996-E1096 IonicContact CZ-OE2 3.46Å; R996-E1096 IonicContact NE-OE1 3.88Å; R996-E1096 IonicContact NE-OE2 3.99Å; R996-E1096 PolarHBondContact NE-OE2 3.16Å; R996-E1096 IonicContact NH2-OE1 3.15Å; R996-E1096 PolarHBondContact NH2-OE1 3.35Å; R996-E1096 IonicContact NH2-OE2 2.67Å; R996-E1096 PolarHBondContact NH2-OE2 3.44Å; R998-E1096 IonicContact CZ-OE2 2.76Å; R998-E1096 IonicContact NE-OE1 2.86Å; R998-E1096 PolarHBondContact NE-OE1 2.81Å; R998-E1096 IonicContact NE-OE2 2.69Å; R998-E1096 PolarHBondContact NE-OE2 2.8Å; R998-E1096 IonicContact NH2-OE2 2.85Å; R998-E1096 PolarHBondContact NH2-OE2 2.94Å; S1000-E1096 WeakPolarHBondContact CB-OE1 3.3Å; S1000-E1096 PolarHBondContact OG-OE1 3.38Å; R1025-E1096 WeakPolarHBondContact CD-O 3.44Å; R1025-E1096 PolarHBondContact NE-O 2.86Å; M1092-E1096 WeakPolarHBondContact O-CB 3.29Å; M1092-E1096 WeakPolarHBondContact O-CG 3.37Å; M1092-E1096 PolarHBondContact O-N 3.01Å; E1096-F1099 HydrophobicContact CB-CE2 3.95Å; E1096-F1099 HydrophobicContact CB-CZ 3.98Å; E1096-F1099 HydrophobicContact CG-CZ 4.31Å |
| 1097 | S | 89.8 | Confident | 88.8 | Confident | 34 Ų | 34 | 30.9 Ų | 30.9 | 24% | 0.238 | 16% | 0.163 | C | C | . | . | trans | -146 | 162.9 | 177.7 | 65 | 0 | 0 | 0 | 0 | 111.5 | R1060 K1094 L1095 | R1060-S1097 WeakPolarHBondContact CD-O 3.24Å; R1060-S1097 PolarHBondContact NH1-O 2.79Å; K1094-S1097 PolarHBondContact O-OG 3.45Å; L1095-S1097 PolarHBondContact O-N 3.37Å | ||
| 1098 | N | 89.9 | Confident | 89 | Confident | 101 Ų | 101 | 32.6 Ų | 32.6 | 54% | 0.54 | 17% | 0.166 | S | C | . | . | S | Bend | trans | 56.6 | 46.7 | 179.8 | -54.2 | -24.3 | 0 | 0 | 0 | 114 | R1025 | R1025-N1098 WeakPolarHBondContact O-CA 3.43Å; R1025-N1098 PolarHBondContact O-N 2.88Å |
| 1099 | F | 91 | Very high | 89.1 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 0% | 0.004 | 16% | 0.159 | C | C | . | . | B | Isolated β-bridge | trans | -80.4 | 151.5 | 179.5 | -70.5 | -76.7 | 0 | 0 | 0 | 113.4 | L1013 T1015 R1025 L1026 D1027 A1058 E1059 R1060 E1096 | L1013-F1099 HydrophobicContact CD2-CE1 3.57Å; L1013-F1099 HydrophobicContact CD2-CZ 3.81Å; L1013-F1099 HydrophobicContact CG-CE1 3.92Å; L1013-F1099 HydrophobicContact CG-CZ 4.42Å; T1015-F1099 HydrophobicContact CG2-CD1 3.75Å; T1015-F1099 HydrophobicContact CG2-CD2 4.18Å; T1015-F1099 HydrophobicContact CG2-CE1 3.43Å; T1015-F1099 VanDerWaalsContact CG2-CE1 3.43Å; T1015-F1099 HydrophobicContact CG2-CE2 3.88Å; T1015-F1099 HydrophobicContact CG2-CG 4.11Å; T1015-F1099 HydrophobicContact CG2-CZ 3.49Å; T1015-F1099 VanDerWaalsContact CG2-CZ 3.49Å; R1025-F1099 HydrophobicContact CB-CD2 4.01Å; R1025-F1099 HydrophobicContact CB-CE2 4.48Å; R1025-F1099 PolarHBondContact O-N 2.69Å; L1026-F1099 CarbonylContact C-O 3.09Å; L1026-F1099 VanDerWaalsContact CA-O 3.28Å; L1026-F1099 WeakPolarHBondContact CA-O 3.37Å; L1026-F1099 HydrophobicContact CD2-CB 3.97Å; D1027-F1099 PolarHBondContact N-O 3.34Å; A1058-F1099 HydrophobicContact CB-CB 3.93Å; A1058-F1099 HydrophobicContact CB-CG 4.38Å; E1059-F1099 CarbonylContact O-C 3.53Å; E1059-F1099 WeakPolarHBondContact O-CA 3.5Å; R1060-F1099 HydrophobicContact CB-CD1 3.82Å; R1060-F1099 HydrophobicContact CB-CE1 4.22Å; E1096-F1099 HydrophobicContact CB-CE2 3.95Å; E1096-F1099 HydrophobicContact CB-CZ 3.98Å; E1096-F1099 HydrophobicContact CG-CZ 4.31Å |
| 1100 | I | 90.4 | Very high | 89.3 | Confident | 69 Ų | 69 | 31.9 Ų | 31.9 | 35% | 0.354 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 130.6 | 167.7 | -57.9 | 173.7 | 0 | 0 | 0 | 108.1 | A1058 E1059 | A1058-I1100 CarbonylContact C-O 3.53Å; A1058-I1100 VanDerWaalsContact CA-O 3.24Å; A1058-I1100 WeakPolarHBondContact CA-O 3.44Å; A1058-I1100 VanDerWaalsContact CB-O 3.26Å; A1058-I1100 WeakPolarHBondContact CB-O 3.38Å; E1059-I1100 HydrophobicContact CG-CB 3.87Å; E1059-I1100 HydrophobicContact CG-CG2 4.36Å; E1059-I1100 PolarHBondContact N-O 3.34Å; E1059-I1100 PolarHBondContact O-N 3.49Å |
| 1101 | L | 91.6 | Very high | 89.4 | Confident | 7 Ų | 7 | 28.5 Ų | 28.5 | 4% | 0.037 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 122.9 | 179.7 | -179.6 | 57.4 | 0 | 0 | 0 | 111.1 | M1023 L1026 L1036 V1037 T1040 V1056 | M1023-L1101 HydrophobicContact SD-CD2 4.47Å; L1026-L1101 HydrophobicContact CD1-CB 4.04Å; L1026-L1101 HydrophobicContact CD1-CD1 4.47Å; L1026-L1101 HydrophobicContact CD1-CD2 4.04Å; L1026-L1101 HydrophobicContact CD1-CG 4.43Å; L1026-L1101 HydrophobicContact CD2-CB 3.98Å; L1036-L1101 HydrophobicContact CD2-CB 4.01Å; L1036-L1101 HydrophobicContact CD2-CD2 3.87Å; L1036-L1101 HydrophobicContact CD2-CG 4.09Å; V1037-L1101 HydrophobicContact CG2-CD2 3.91Å; T1040-L1101 HydrophobicContact CG2-CD2 3.97Å; V1056-L1101 HydrophobicContact CG1-CD1 3.46Å; V1056-L1101 VanDerWaalsContact CG1-CD1 3.46Å |
| 1102 | L | 91.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | -46.9 | 170.4 | -71.1 | 172.8 | 0 | 0 | 0 | 110.9 | N418 R544 D547 Y548 A551 F1014 I1057 E1059 | N418-L1102 PolarHBondContact N-O 3.24Å; R544-L1102 HydrophobicContact CB-CD2 4.46Å; R544-L1102 HydrophobicContact CG-CD2 4.37Å; D547-L1102 HydrophobicContact CB-CD1 4.44Å; D547-L1102 HydrophobicContact CB-CD2 4.09Å; Y548-L1102 HydrophobicContact CD2-CB 4.23Å; A551-L1102 HydrophobicContact CB-CD1 4.39Å; F1014-L1102 HydrophobicContact CE1-CD1 4.22Å; I1057-L1102 HydrophobicContact CG2-CB 4.49Å; I1057-L1102 HydrophobicContact CG2-CD1 4.24Å; I1057-L1102 PolarHBondContact O-N 3.42Å; I1057-L1102 VanDerWaalsContact O-N 3.1Å; E1059-L1102 HydrophobicContact CB-CD1 4.02Å; E1059-L1102 HydrophobicContact CB-CG 4.31Å; E1059-L1102 HydrophobicContact CG-CD1 4.31Å; E1059-L1102 HydrophobicContact CG-CD2 4.28Å; E1059-L1102 HydrophobicContact CG-CG 4.09Å |
| 1103 | G | 92.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.2 | -168 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | S416 I1057 | S416-G1103 CarbonylContact O-C 3.58Å; S416-G1103 WeakPolarHBondContact O-CA 3.48Å; I1057-G1103 PolarHBondContact N-O 2.77Å; I1057-G1103 PolarHBondContact O-N 3.01Å; I1057-G1103 VanDerWaalsContact O-N 3.16Å |
| 1104 | A | 93.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 146.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A415 S416 T1040 I1044 L1055 V1056 | A415-A1104 CarbonylContact C-O 3.58Å; A415-A1104 WeakPolarHBondContact CA-O 3.44Å; S416-A1104 PolarHBondContact N-O 3.02Å; S416-A1104 PolarHBondContact O-N 3.23Å; T1040-A1104 HydrophobicContact CG2-CB 3.99Å; I1044-A1104 HydrophobicContact CD1-CB 3.87Å; I1044-A1104 HydrophobicContact CG1-CB 3.77Å; L1055-A1104 CarbonylContact O-C 2.92Å; L1055-A1104 VanDerWaalsContact O-CA 3.22Å; L1055-A1104 WeakPolarHBondContact O-CA 3.42Å; V1056-A1104 HydrophobicContact CG2-CB 4.26Å |
| 1105 | T | 93.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 158.7 | 179.9 | 68.8 | 0 | 0 | 0 | 0 | 111.9 | F412 Y548 L552 L953 T1054 L1055 I1057 | F412-T1105 HydrophobicContact CE2-CG2 3.81Å; F412-T1105 HydrophobicContact CZ-CG2 4.3Å; Y548-T1105 WeakPolarHBondContact OH-CG2 3.38Å; L552-T1105 HydrophobicContact CD2-CG2 4.21Å; L953-T1105 HydrophobicContact CD2-CG2 3.83Å; T1054-T1105 WeakPolarHBondContact CA-O 3.34Å; L1055-T1105 PolarHBondContact N-OG1 2.87Å; L1055-T1105 PolarHBondContact O-N 3.1Å; L1055-T1105 PolarHBondContact O-OG1 3.48Å; I1057-T1105 HydrophobicContact CD1-CG2 4.02Å |
| 1106 | G | 90.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 108 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | K413 R414 | K413-G1106 PolarHBondContact N-O 2.84Å; R414-G1106 PolarHBondContact N-O 3.12Å; R414-G1106 PolarHBondContact O-N 2.89Å |
| 1107 | I | 87.8 | Confident | 89.8 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 128.5 | -173.9 | -47.1 | 173.8 | 0 | 0 | 0 | 110.1 | M410 E411 D949 C952 L953 L1052 R1053 L1055 | M410-I1107 HydrophobicContact CB-CG2 3.8Å; E411-I1107 CarbonylContact O-C 3.53Å; E411-I1107 WeakPolarHBondContact O-CA 3.09Å; D949-I1107 HydrophobicContact CB-CD1 4.42Å; C952-I1107 HydrophobicContact CB-CG2 4.44Å; L953-I1107 HydrophobicContact CD2-CD1 3.77Å; L953-I1107 HydrophobicContact CD2-CG1 4.41Å; L953-I1107 HydrophobicContact CG-CD1 4.43Å; L1052-I1107 CarbonylContact C-O 3.4Å; L1052-I1107 WeakPolarHBondContact CA-O 3.22Å; R1053-I1107 HydrophobicContact CB-CB 4.36Å; R1053-I1107 PolarHBondContact N-O 3.11Å; R1053-I1107 PolarHBondContact O-N 3.37Å; L1055-I1107 HydrophobicContact CD1-CD1 4.34Å |
| 1108 | E | 85 | Confident | 90.1 | Very high | 69 Ų | 69 | 30.3 Ų | 30.3 | 32% | 0.322 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 132.8 | 176.7 | -170.6 | 178 | 175 | 0 | 0 | 111.7 | M410 E411 K413 L1052 | M410-E1108 WeakPolarHBondContact CA-O 3.2Å; E411-E1108 PolarHBondContact N-O 3.06Å; E411-E1108 PolarHBondContact O-N 2.7Å; K413-E1108 WeakPolarHBondContact CE-OE2 3.32Å; K413-E1108 HydrophobicContact CG-CB 3.89Å; L1052-E1108 HydrophobicContact CD2-CB 3.81Å; L1052-E1108 HydrophobicContact CD2-CG 4.45Å |
| 1109 | D | 81.9 | Confident | 90.3 | Very high | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 88.2 | 170.5 | -176.1 | -5.3 | 0 | 0 | 0 | 108 | K401 T406 M410 R1053 I1143 | K401-D1109 IonicContact NZ-OD2 2.85Å; K401-D1109 PolarHBondContact NZ-OD2 2.97Å; T406-D1109 WeakPolarHBondContact CB-OD1 3.37Å; T406-D1109 WeakPolarHBondContact CG2-OD1 3.36Å; T406-D1109 PolarHBondContact OG1-OD1 2.9Å; M410-D1109 HydrophobicContact CE-CB 4.33Å; M410-D1109 HydrophobicContact SD-CB 3.9Å; R1053-D1109 IonicContact CZ-OD2 3.45Å; R1053-D1109 IonicContact NE-OD2 2.97Å; R1053-D1109 IonicContact NH2-OD2 3.89Å; R1053-D1109 PolarHBondContact NH2-OD2 3.32Å; D1109-I1143 HydrophobicContact CB-CD1 4.46Å |
| 1110 | R | 84 | Confident | 90.4 | Very high | 74 Ų | 74 | 28.2 Ų | 28.2 | 28% | 0.279 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 134.5 | -159 | -167.8 | 165.3 | 179.7 | -84.7 | -7.2 | 112.7 | T406 E407 K409 E411 | T406-R1110 CarbonylContact C-O 3.57Å; T406-R1110 WeakPolarHBondContact CA-O 3.45Å; T406-R1110 VanDerWaalsContact CB-O 3.23Å; T406-R1110 WeakPolarHBondContact CB-O 3.47Å; E407-R1110 VanDerWaalsContact CD-NH1 3.33Å; E407-R1110 HydrophobicContact CG-CB 4.09Å; E407-R1110 HydrophobicContact CG-CG 4.38Å; E407-R1110 WeakPolarHBondContact CG-O 3.22Å; E407-R1110 PolarHBondContact N-O 2.81Å; E407-R1110 WeakPolarHBondContact OE1-CD 3.29Å; E407-R1110 IonicContact OE1-CZ 3.37Å; E407-R1110 IonicContact OE1-NE 3.92Å; E407-R1110 IonicContact OE1-NH1 2.68Å; E407-R1110 PolarHBondContact OE1-NH1 2.92Å; E407-R1110 IonicContact OE2-NH1 2.61Å; E407-R1110 PolarHBondContact OE2-NH1 2.84Å; K409-R1110 WeakPolarHBondContact O-CB 3.36Å; K409-R1110 PolarHBondContact O-N 2.8Å; E411-R1110 IonicContact OE2-NE 3.22Å |
| 1111 | L | 88.2 | Confident | 90.5 | Very high | 29 Ų | 29 | 25.2 Ų | 25.2 | 15% | 0.152 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 149.3 | 174.8 | -74.8 | 179.3 | 0 | 0 | 0 | 112.2 | L405 T406 V1115 P1116 I1143 S1146 A1147 | L405-L1111 HydrophobicContact CB-CD2 4.5Å; L405-L1111 WeakPolarHBondContact O-CD2 3.4Å; T406-L1111 HydrophobicContact CG2-CD2 4.38Å; L1111-V1115 HydrophobicContact CD2-CG1 4.31Å; L1111-P1116 HydrophobicContact CD1-CG 4.33Å; L1111-I1143 HydrophobicContact CD2-CG2 3.95Å; L1111-S1146 WeakPolarHBondContact CD1-O 3.46Å; L1111-A1147 HydrophobicContact CD1-CB 4.33Å; L1111-A1147 HydrophobicContact CD2-CB 4.31Å |
| 1112 | Q | 89 | Confident | 90.7 | Very high | 5 Ų | 5 | 24.9 Ų | 24.9 | 2% | 0.023 | 13% | 0.129 | C | C | . | . | P | Polyproline II helix | trans | -65.6 | 143.5 | 166.4 | -57.2 | -169.3 | 11.7 | 0 | 0 | 110.9 | G403 T404 L405 T406 E407 G1114 V1115 | G403-Q1112 PolarHBondContact O-NE2 2.95Å; T404-Q1112 PolarHBondContact O-NE2 3.15Å; L405-Q1112 PolarHBondContact O-N 2.85Å; T406-Q1112 WeakPolarHBondContact O-CG 3.37Å; T406-Q1112 PolarHBondContact O-NE2 2.84Å; E407-Q1112 HydrophobicContact CB-CG 4.13Å; Q1112-G1114 PolarHBondContact O-N 2.84Å; Q1112-V1115 HydrophobicContact CB-CG2 3.76Å; Q1112-V1115 WeakPolarHBondContact O-CB 3.5Å; Q1112-V1115 VanDerWaalsContact O-CG2 3.25Å; Q1112-V1115 WeakPolarHBondContact O-CG2 3.27Å; Q1112-V1115 PolarHBondContact O-N 3.2Å |
| 1113 | N | 87.8 | Confident | 90.7 | Very high | 107 Ų | 107 | 27.5 Ų | 27.5 | 57% | 0.572 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 130.4 | 174.7 | -63.9 | -32.8 | 0 | 0 | 0 | 111.5 | Y1421 | N1113-Y1421 WeakPolarHBondContact O-CD1 3.07Š|
| 1114 | G | 89.6 | Confident | 90.6 | Very high | 24 Ų | 24 | 30.1 Ų | 30.1 | 25% | 0.247 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | 9.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q1112 E1117 T1118 | Q1112-G1114 PolarHBondContact O-N 2.84Å; G1114-E1117 VanDerWaalsContact C-OE2 3.25Å; G1114-E1117 VanDerWaalsContact CA-OE2 3.23Å; G1114-E1117 WeakPolarHBondContact CA-OE2 3.5Å; G1114-T1118 VanDerWaalsContact O-CB 3.24Å; G1114-T1118 WeakPolarHBondContact O-CB 3.44Å; G1114-T1118 PolarHBondContact O-N 2.94Å; G1114-T1118 VanDerWaalsContact O-N 3.17Å; G1114-T1118 PolarHBondContact O-OG1 2.86Å |
| 1115 | V | 94.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.3 | -53.6 | 179.8 | 162.9 | 0 | 0 | 0 | 0 | 113.1 | L405 L1111 Q1112 E1117 T1118 I1119 A1147 F1420 | L405-V1115 HydrophobicContact CD2-CG1 3.67Å; L405-V1115 HydrophobicContact CD2-CG2 4.47Å; L1111-V1115 HydrophobicContact CD2-CG1 4.31Å; Q1112-V1115 HydrophobicContact CB-CG2 3.76Å; Q1112-V1115 WeakPolarHBondContact O-CB 3.5Å; Q1112-V1115 VanDerWaalsContact O-CG2 3.25Å; Q1112-V1115 WeakPolarHBondContact O-CG2 3.27Å; Q1112-V1115 PolarHBondContact O-N 3.2Å; V1115-E1117 PolarHBondContact O-N 2.99Å; V1115-T1118 WeakPolarHBondContact O-CB 2.97Å; V1115-T1118 PolarHBondContact O-N 3.35Å; V1115-T1118 VanDerWaalsContact O-N 3.15Å; V1115-I1119 HydrophobicContact CG1-CD1 3.89Å; V1115-I1119 PolarHBondContact O-N 3.44Å; V1115-A1147 HydrophobicContact CG1-CB 3.97Å; V1115-F1420 HydrophobicContact CB-CD1 4.4Å; V1115-F1420 HydrophobicContact CG2-CB 3.95Å; V1115-F1420 HydrophobicContact CG2-CD1 3.77Å; V1115-F1420 HydrophobicContact CG2-CG 4.04Å |
| 1116 | P | 91.9 | Very high | 90.5 | Very high | 30 Ų | 30 | 30.5 Ų | 30.5 | 20% | 0.195 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.1 | -46.3 | -179.9 | -23.2 | 33.6 | 0 | 0 | 0 | 112.5 | L1111 T1118 I1119 D1120 N1148 | L1111-P1116 HydrophobicContact CD1-CG 4.33Å; P1116-T1118 PolarHBondContact O-N 3.28Å; P1116-I1119 PolarHBondContact O-N 2.95Å; P1116-I1119 VanDerWaalsContact O-N 3.15Å; P1116-D1120 PolarHBondContact O-N 2.85Å; P1116-N1148 HydrophobicContact CB-CB 4.45Å |
| 1117 | E | 93.7 | Very high | 90.6 | Very high | 113 Ų | 113 | 30.8 Ų | 30.8 | 53% | 0.528 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -71.2 | -15.1 | -179 | -47 | 93.8 | 138.2 | 0 | 0 | 112.8 | G1114 V1115 A1121 K1424 | G1114-E1117 VanDerWaalsContact C-OE2 3.25Å; G1114-E1117 VanDerWaalsContact CA-OE2 3.23Å; G1114-E1117 WeakPolarHBondContact CA-OE2 3.5Å; V1115-E1117 PolarHBondContact O-N 2.99Å; E1117-A1121 WeakPolarHBondContact O-CB 3.23Å; E1117-K1424 PolarHBondContact O-NZ 3.42Å |
| 1118 | T | 95.6 | Very high | 90.8 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.018 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -82.1 | -51.1 | 167.7 | -64.7 | 0 | 0 | 0 | 0 | 110.3 | G1114 V1115 P1116 D1120 A1121 L1122 F1420 Y1421 K1424 | G1114-T1118 VanDerWaalsContact O-CB 3.24Å; G1114-T1118 WeakPolarHBondContact O-CB 3.44Å; G1114-T1118 PolarHBondContact O-N 2.94Å; G1114-T1118 VanDerWaalsContact O-N 3.17Å; G1114-T1118 PolarHBondContact O-OG1 2.86Å; V1115-T1118 WeakPolarHBondContact O-CB 2.97Å; V1115-T1118 PolarHBondContact O-N 3.35Å; V1115-T1118 VanDerWaalsContact O-N 3.15Å; P1116-T1118 PolarHBondContact O-N 3.28Å; T1118-D1120 VanDerWaalsContact C-N 3.35Å; T1118-D1120 PolarHBondContact O-N 3.35Å; T1118-A1121 PolarHBondContact O-N 2.91Å; T1118-A1121 VanDerWaalsContact O-N 3.11Å; T1118-L1122 HydrophobicContact CG2-CD1 4.13Å; T1118-L1122 HydrophobicContact CG2-CG 4.34Å; T1118-L1122 WeakPolarHBondContact O-CG 3.33Å; T1118-L1122 PolarHBondContact O-N 2.95Å; T1118-F1420 HydrophobicContact CG2-CD1 3.91Å; T1118-F1420 HydrophobicContact CG2-CE1 3.59Å; T1118-Y1421 WeakPolarHBondContact OG1-CA 3.35Å; T1118-K1424 HydrophobicContact CG2-CB 3.99Å |
| 1119 | I | 94 | Very high | 91.2 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.6 | -46.5 | 178.9 | -75.7 | 168.1 | 0 | 0 | 0 | 111.2 | L405 V1115 P1116 A1121 L1122 R1123 A1147 L1149 F1420 | L405-I1119 HydrophobicContact CD2-CD1 3.95Å; V1115-I1119 HydrophobicContact CG1-CD1 3.89Å; V1115-I1119 PolarHBondContact O-N 3.44Å; P1116-I1119 PolarHBondContact O-N 2.95Å; P1116-I1119 VanDerWaalsContact O-N 3.15Å; I1119-A1121 VanDerWaalsContact C-N 3.3Å; I1119-A1121 PolarHBondContact O-N 3.33Å; I1119-L1122 PolarHBondContact O-N 3.3Å; I1119-R1123 HydrophobicContact CG2-CG 4.37Å; I1119-R1123 VanDerWaalsContact O-CG 3.27Å; I1119-R1123 WeakPolarHBondContact O-CG 3.4Å; I1119-R1123 PolarHBondContact O-N 3.41Å; I1119-A1147 HydrophobicContact CD1-CB 3.9Å; I1119-A1147 WeakPolarHBondContact CD1-O 3.25Å; I1119-L1149 HydrophobicContact CD1-CD1 4.4Å; I1119-L1149 HydrophobicContact CD1-CD2 4.04Å; I1119-L1149 HydrophobicContact CD1-CG 4.04Å; I1119-L1149 HydrophobicContact CG1-CD2 4.44Å; I1119-L1149 HydrophobicContact CG2-CD2 3.64Å; I1119-L1149 HydrophobicContact CG2-CG 4.24Å; I1119-F1420 HydrophobicContact CD1-CE1 4.4Å; I1119-F1420 HydrophobicContact CD1-CZ 4.43Å; I1119-F1420 HydrophobicContact CG1-CE1 4Å; I1119-F1420 HydrophobicContact CG1-CZ 4.14Å |
| 1120 | D | 92.7 | Very high | 91.8 | Very high | 59 Ų | 59 | 29.6 Ų | 29.6 | 32% | 0.316 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -62.1 | -37.2 | 177.6 | -74.1 | -37.4 | 0 | 0 | 0 | 112.3 | P1116 T1118 R1123 E1124 N1148 | P1116-D1120 PolarHBondContact O-N 2.85Å; T1118-D1120 VanDerWaalsContact C-N 3.35Å; T1118-D1120 PolarHBondContact O-N 3.35Å; D1120-R1123 PolarHBondContact O-N 2.97Å; D1120-E1124 WeakPolarHBondContact O-CB 3.25Å; D1120-E1124 PolarHBondContact O-N 3.09Å; D1120-N1148 PolarHBondContact OD2-ND2 3.45Å |
| 1121 | A | 94.4 | Very high | 92.4 | Very high | 5 Ų | 5 | 26.1 Ų | 26.1 | 4% | 0.041 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -69.6 | -36.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | E1117 T1118 I1119 E1124 A1125 K1424 L1428 P1507 | E1117-A1121 WeakPolarHBondContact O-CB 3.23Å; T1118-A1121 PolarHBondContact O-N 2.91Å; T1118-A1121 VanDerWaalsContact O-N 3.11Å; I1119-A1121 VanDerWaalsContact C-N 3.3Å; I1119-A1121 PolarHBondContact O-N 3.33Å; A1121-E1124 PolarHBondContact O-N 2.73Å; A1121-A1125 VanDerWaalsContact O-CB 3.31Å; A1121-A1125 WeakPolarHBondContact O-CB 3.35Å; A1121-A1125 PolarHBondContact O-N 3.14Å; A1121-K1424 HydrophobicContact CB-CD 4.1Å; A1121-K1424 VanDerWaalsContact CB-CE 3.43Å; A1121-K1424 HydrophobicContact CB-CG 4.29Å; A1121-L1428 HydrophobicContact CB-CD1 4.27Å; A1121-P1507 HydrophobicContact CB-CB 4.4Å; A1121-P1507 HydrophobicContact CB-CG 3.82Å; A1121-P1507 WeakPolarHBondContact O-CB 3.39Å |
| 1122 | L | 95.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.5 | -39.9 | 173.8 | -61.2 | 177.6 | 0 | 0 | 0 | 110.9 | T1118 I1119 A1125 G1126 M1127 V1129 L1423 L1427 | T1118-L1122 HydrophobicContact CG2-CD1 4.13Å; T1118-L1122 HydrophobicContact CG2-CG 4.34Å; T1118-L1122 WeakPolarHBondContact O-CG 3.33Å; T1118-L1122 PolarHBondContact O-N 2.95Å; I1119-L1122 PolarHBondContact O-N 3.3Å; L1122-A1125 WeakPolarHBondContact O-CB 3.44Å; L1122-A1125 PolarHBondContact O-N 2.85Å; L1122-G1126 PolarHBondContact O-N 2.83Å; L1122-M1127 HydrophobicContact CB-CB 4.39Å; L1122-M1127 HydrophobicContact CB-SD 4.06Å; L1122-M1127 HydrophobicContact CD2-CE 4.25Å; L1122-M1127 HydrophobicContact CD2-SD 3.69Å; L1122-M1127 HydrophobicContact CG-SD 4.34Å; L1122-M1127 WeakPolarHBondContact O-CB 3.46Å; L1122-M1127 PolarHBondContact O-N 3.02Å; L1122-V1129 HydrophobicContact CB-CG2 4.1Å; L1122-V1129 HydrophobicContact CD1-CG2 4.41Å; L1122-L1423 HydrophobicContact CD1-CD2 4.03Å; L1122-L1427 HydrophobicContact CD2-CD1 3.91Å |
| 1123 | R | 91.3 | Very high | 92.6 | Very high | 56 Ų | 56 | 24.6 Ų | 24.6 | 21% | 0.211 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63 | -43.4 | 173.2 | -68.4 | 174.8 | 71.2 | 144.3 | 16.3 | 111.7 | I1119 D1120 A1125 G1126 N1148 L1149 H1154 N1352 | I1119-R1123 HydrophobicContact CG2-CG 4.37Å; I1119-R1123 VanDerWaalsContact O-CG 3.27Å; I1119-R1123 WeakPolarHBondContact O-CG 3.4Å; I1119-R1123 PolarHBondContact O-N 3.41Å; D1120-R1123 PolarHBondContact O-N 2.97Å; R1123-A1125 VanDerWaalsContact C-N 3.34Å; R1123-G1126 PolarHBondContact O-N 3.49Å; R1123-N1148 PolarHBondContact NH1-O 3.36Å; R1123-L1149 PolarHBondContact NH1-O 3.07Å; R1123-H1154 PolarHBondContact NH2-CE1 3.05Å; R1123-H1154 VanDerWaalsContact NH2-CE1 3.28Å; R1123-H1154 PolarHBondContact NH2-NE2 3.06Å; R1123-N1352 PolarHBondContact NH1-ND2 3.39Å; R1123-N1352 PolarHBondContact NH2-ND2 2.83Å; R1123-N1352 VanDerWaalsContact NH2-ND2 3.12Å |
| 1124 | E | 91 | Very high | 92.2 | Very high | 55 Ų | 55 | 21.6 Ų | 21.6 | 26% | 0.257 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -63.7 | -39.4 | 175.3 | -172.1 | -167.5 | 161.7 | 0 | 0 | 111.5 | D1120 A1121 G1126 P1507 I1508 R1511 | D1120-E1124 WeakPolarHBondContact O-CB 3.25Å; D1120-E1124 PolarHBondContact O-N 3.09Å; A1121-E1124 PolarHBondContact O-N 2.73Å; E1124-G1126 PolarHBondContact O-N 2.94Å; E1124-G1126 VanDerWaalsContact O-N 3.08Å; E1124-P1507 HydrophobicContact CB-CB 4.07Å; E1124-P1507 HydrophobicContact CB-CG 4.45Å; E1124-P1507 HydrophobicContact CG-CB 4.2Å; E1124-P1507 WeakPolarHBondContact OE1-CD 3.43Å; E1124-P1507 WeakPolarHBondContact OE2-CD 3.39Å; E1124-P1507 WeakPolarHBondContact OE2-CG 3.27Å; E1124-I1508 HydrophobicContact CG-CD1 4.39Å; E1124-I1508 HydrophobicContact CG-CG1 3.68Å; E1124-I1508 WeakPolarHBondContact OE1-CG1 3.32Å; E1124-R1511 PolarHBondContact O-NE 2.79Å; E1124-R1511 VanDerWaalsContact O-NE 3.12Å; E1124-R1511 PolarHBondContact O-NH2 2.92Å |
| 1125 | A | 93 | Very high | 91.5 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | A1121 L1122 R1123 L1428 P1507 Y1510 R1511 | A1121-A1125 VanDerWaalsContact O-CB 3.31Å; A1121-A1125 WeakPolarHBondContact O-CB 3.35Å; A1121-A1125 PolarHBondContact O-N 3.14Å; L1122-A1125 WeakPolarHBondContact O-CB 3.44Å; L1122-A1125 PolarHBondContact O-N 2.85Å; R1123-A1125 VanDerWaalsContact C-N 3.34Å; A1125-L1428 HydrophobicContact CB-CD2 3.6Å; A1125-P1507 WeakPolarHBondContact CA-O 3.29Å; A1125-P1507 HydrophobicContact CB-CB 3.99Å; A1125-P1507 WeakPolarHBondContact CB-O 3.37Å; A1125-Y1510 HydrophobicContact CB-CD1 4.3Å; A1125-Y1510 HydrophobicContact CB-CG 4.32Å; A1125-R1511 WeakPolarHBondContact O-CG 3.4Å |
| 1126 | G | 89.5 | Confident | 90.3 | Very high | 8 Ų | 8 | 26.6 Ų | 26.6 | 8% | 0.082 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | 17.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1122 R1123 E1124 | L1122-G1126 PolarHBondContact O-N 2.83Å; R1123-G1126 PolarHBondContact O-N 3.49Å; E1124-G1126 PolarHBondContact O-N 2.94Å; E1124-G1126 VanDerWaalsContact O-N 3.08Å |
| 1127 | M | 93.2 | Very high | 89.9 | Confident | 6 Ų | 6 | 26.4 Ų | 26.4 | 3% | 0.03 | 14% | 0.138 | C | C | . | . | trans | -88 | 145.9 | 174.6 | -56.4 | 177.4 | -173.7 | 0 | 0 | 111.7 | I394 E395 V397 L1122 L1427 Y1510 | I394-M1127 HydrophobicContact CB-CE 4.43Å; I394-M1127 HydrophobicContact CG2-SD 4.42Å; E395-M1127 WeakPolarHBondContact O-CA 3.36Å; V397-M1127 HydrophobicContact CG2-CB 4.45Å; V397-M1127 HydrophobicContact CG2-SD 3.89Å; L1122-M1127 HydrophobicContact CB-CB 4.39Å; L1122-M1127 HydrophobicContact CB-SD 4.06Å; L1122-M1127 HydrophobicContact CD2-CE 4.25Å; L1122-M1127 HydrophobicContact CD2-SD 3.69Å; L1122-M1127 HydrophobicContact CG-SD 4.34Å; L1122-M1127 WeakPolarHBondContact O-CB 3.46Å; L1122-M1127 PolarHBondContact O-N 3.02Å; M1127-L1427 HydrophobicContact CE-CB 4.15Å; M1127-L1427 HydrophobicContact CE-CD1 3.89Å; M1127-L1427 HydrophobicContact SD-CD1 4.01Å; M1127-Y1510 HydrophobicContact CE-CD1 3.64Å; M1127-Y1510 HydrophobicContact CE-CD2 4.38Å; M1127-Y1510 HydrophobicContact CE-CE1 3.19Å; M1127-Y1510 HydrophobicContact CE-CE2 3.99Å; M1127-Y1510 HydrophobicContact CE-CG 4.23Å | ||
| 1128 | H | 91.9 | Very high | 89 | Confident | 45 Ų | 45 | 25.4 Ų | 25.4 | 21% | 0.208 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 116 | 169.5 | -71.7 | -84.4 | 0 | 0 | 0 | 110.1 | E395 Y396 V397 T1351 | E395-H1128 PolarHBondContact O-N 3.49Å; Y396-H1128 WeakPolarHBondContact CA-O 3.19Å; Y396-H1128 HydrophobicContact CD1-CB 3.57Å; Y396-H1128 HydrophobicContact CE1-CB 3.66Å; Y396-H1128 AromaticContact CE1-CG 3.86Å; Y396-H1128 HydrophobicContact CG-CB 4.25Å; Y396-H1128 AromaticContact CZ-CD2 3.96Å; V397-H1128 PolarHBondContact N-O 3.27Å; H1128-T1351 PolarHBondContact ND1-O 3.48Å |
| 1129 | V | 93.6 | Very high | 88 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 121.7 | 179.9 | -169.9 | 0 | 0 | 0 | 0 | 109.8 | V397 T399 L1122 L1149 | V397-V1129 HydrophobicContact CB-CG1 4.5Å; V397-V1129 HydrophobicContact CB-CG2 4.35Å; V397-V1129 HydrophobicContact CG1-CG1 4.32Å; V397-V1129 CarbonylContact O-C 3.59Å; V397-V1129 WeakPolarHBondContact O-CA 3.47Å; T399-V1129 HydrophobicContact CG2-CG1 4.17Å; L1122-V1129 HydrophobicContact CB-CG2 4.1Å; L1122-V1129 HydrophobicContact CD1-CG2 4.41Å; V1129-L1149 HydrophobicContact CB-CD2 3.75Å; V1129-L1149 HydrophobicContact CG1-CD2 3.67Å |
| 1130 | W | 95.2 | Very high | 87.5 | Confident | 3 Ų | 3 | 26.7 Ų | 26.7 | 1% | 0.011 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 139.4 | -177.5 | -64.2 | 17.4 | 0 | 0 | 0 | 110.7 | Y396 V397 F398 T399 I1347 I1353 V1366 V1370 | Y396-W1130 AromaticContact CD1-CE2 3.9Å; Y396-W1130 AromaticContact CD1-CZ2 3.84Å; Y396-W1130 HydrophobicContact CD1-CZ2 3.84Å; Y396-W1130 AromaticContact CD1-NE1 3.89Å; Y396-W1130 AromaticContact CE1-CZ2 3.68Å; Y396-W1130 HydrophobicContact CE1-CZ2 3.68Å; V397-W1130 PolarHBondContact O-N 3.26Å; F398-W1130 WeakPolarHBondContact CA-O 3.35Å; F398-W1130 HydrophobicContact CD1-CB 4.13Å; F398-W1130 HydrophobicContact CD1-CD2 4.47Å; F398-W1130 HydrophobicContact CD1-CE3 4.12Å; F398-W1130 HydrophobicContact CE1-CB 4.49Å; F398-W1130 AromaticContact CE1-CD2 3.97Å; F398-W1130 HydrophobicContact CE1-CD2 3.97Å; F398-W1130 AromaticContact CE1-CE3 3.49Å; F398-W1130 HydrophobicContact CE1-CE3 3.49Å; F398-W1130 VanDerWaalsContact CE1-CE3 3.49Å; F398-W1130 HydrophobicContact CE1-CG 4.48Å; F398-W1130 AromaticContact CE1-CZ3 3.85Å; F398-W1130 HydrophobicContact CE1-CZ3 3.85Å; F398-W1130 HydrophobicContact CZ-CE3 4.46Å; T399-W1130 WeakPolarHBondContact CG2-O 3.44Å; T399-W1130 PolarHBondContact N-O 2.67Å; W1130-I1347 HydrophobicContact CH2-CB 4.38Å; W1130-I1347 HydrophobicContact CH2-CD1 4.01Å; W1130-I1347 HydrophobicContact CH2-CG1 4Å; W1130-I1347 HydrophobicContact CH2-CG2 3.47Å; W1130-I1347 VanDerWaalsContact CH2-CG2 3.47Å; W1130-I1347 HydrophobicContact CZ2-CG2 3.45Å; W1130-I1347 VanDerWaalsContact CZ2-CG2 3.45Å; W1130-I1353 CarbonylContact C-O 3.49Å; W1130-I1353 VanDerWaalsContact CA-O 3.29Å; W1130-I1353 WeakPolarHBondContact CA-O 3.47Å; W1130-I1353 HydrophobicContact CD2-CB 3.73Å; W1130-I1353 HydrophobicContact CD2-CD1 4.14Å; W1130-I1353 HydrophobicContact CD2-CG1 4.02Å; W1130-I1353 HydrophobicContact CE3-CB 3.93Å; W1130-I1353 HydrophobicContact CE3-CD1 4.2Å; W1130-I1353 HydrophobicContact CE3-CG1 4.4Å; W1130-I1353 HydrophobicContact CE3-CG2 4.29Å; W1130-I1353 HydrophobicContact CG-CB 3.96Å; W1130-I1353 HydrophobicContact CG-CG1 4.44Å; W1130-I1353 HydrophobicContact CH2-CD1 3.76Å; W1130-I1353 HydrophobicContact CZ2-CD1 3.64Å; W1130-I1353 HydrophobicContact CZ2-CG1 4.26Å; W1130-I1353 HydrophobicContact CZ3-CD1 4.02Å; W1130-V1366 HydrophobicContact CE3-CG1 4.24Å; W1130-V1366 HydrophobicContact CZ3-CG1 3.89Å; W1130-V1370 HydrophobicContact CH2-CG2 3.32Å; W1130-V1370 HydrophobicContact CZ2-CG2 4.2Å; W1130-V1370 HydrophobicContact CZ3-CG2 3.66Å |
| 1131 | M | 95.2 | Very high | 87.2 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 123.1 | 177.7 | -178.4 | -169.5 | -77.9 | 0 | 0 | 110.3 | T399 K401 L405 T1133 A1140 I1143 A1144 L1149 I1353 I1354 C1355 | T399-M1131 CarbonylContact O-C 3.56Å; T399-M1131 WeakPolarHBondContact O-CA 3.34Å; K401-M1131 HydrophobicContact CB-CE 4.2Å; K401-M1131 HydrophobicContact CB-CG 4.26Å; K401-M1131 HydrophobicContact CB-SD 3.97Å; K401-M1131 HydrophobicContact CG-CE 3.98Å; K401-M1131 HydrophobicContact CG-SD 4.06Å; L405-M1131 HydrophobicContact CD1-CE 3.66Å; M1131-T1133 HydrophobicContact CG-CG2 4.3Å; M1131-T1133 HydrophobicContact SD-CG2 4.17Å; M1131-A1140 HydrophobicContact SD-CB 4.12Å; M1131-I1143 HydrophobicContact CE-CB 4.39Å; M1131-I1143 HydrophobicContact CE-CG2 3.98Å; M1131-A1144 HydrophobicContact CE-CB 4.08Å; M1131-L1149 HydrophobicContact CB-CD1 4.34Å; M1131-L1149 HydrophobicContact CE-CD1 3.98Å; M1131-I1353 PolarHBondContact N-O 3.34Å; M1131-I1354 HydrophobicContact CB-CG1 4.47Å; M1131-I1354 HydrophobicContact CB-CG2 4.25Å; M1131-I1354 HydrophobicContact CG-CG2 4.41Å; M1131-I1354 CarbonylContact O-C 3.54Å; M1131-I1354 WeakPolarHBondContact O-CA 3.47Å; M1131-I1354 HydrophobicContact SD-CG2 4.04Å; M1131-C1355 PolarHBondContact O-N 3.45Å |
| 1132 | L | 93.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 83.2 | -179.8 | -61.5 | -172.5 | 0 | 0 | 0 | 110.5 | F398 T399 D400 C1355 K1363 V1366 V1367 M1390 | F398-L1132 HydrophobicContact CB-CD1 4.12Å; F398-L1132 HydrophobicContact CD1-CD1 3.54Å; F398-L1132 HydrophobicContact CD1-CG 4.06Å; F398-L1132 HydrophobicContact CE1-CD1 4.33Å; F398-L1132 HydrophobicContact CG-CD1 4.15Å; T399-L1132 PolarHBondContact O-N 3.22Å; D400-L1132 VanDerWaalsContact OD1-O 3.04Å; L1132-C1355 HydrophobicContact CD2-CB 3.58Å; L1132-C1355 WeakPolarHBondContact CD2-SG 3.5Å; L1132-K1363 HydrophobicContact CB-CD 4.35Å; L1132-K1363 HydrophobicContact CB-CG 4.21Å; L1132-K1363 HydrophobicContact CD1-CB 4.44Å; L1132-K1363 VanDerWaalsContact O-CD 3.26Å; L1132-K1363 WeakPolarHBondContact O-CD 3.39Å; L1132-K1363 WeakPolarHBondContact O-CE 3.26Å; L1132-K1363 PolarHBondContact O-NZ 3.06Å; L1132-V1366 HydrophobicContact CD1-CB 4.19Å; L1132-V1366 HydrophobicContact CD1-CG1 4.02Å; L1132-V1366 HydrophobicContact CD2-CG1 4.01Å; L1132-V1367 HydrophobicContact CD1-CG2 4.21Å; L1132-M1390 HydrophobicContact CB-SD 4.09Å; L1132-M1390 HydrophobicContact CD1-SD 3.76Å; L1132-M1390 HydrophobicContact CG-SD 4.4Å |
| 1133 | T | 88.8 | Confident | 86.1 | Confident | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | trans | -113.9 | 153.9 | -169.5 | -169.4 | 0 | 0 | 0 | 0 | 114.8 | D400 K401 M1131 D1135 A1140 C1355 C1356 R1357 S1358 | D400-T1133 VanDerWaalsContact OD1-CA 3.29Å; D400-T1133 WeakPolarHBondContact OD1-CA 3.26Å; K401-T1133 HydrophobicContact CB-CG2 4.29Å; M1131-T1133 HydrophobicContact CG-CG2 4.3Å; M1131-T1133 HydrophobicContact SD-CG2 4.17Å; T1133-D1135 VanDerWaalsContact C-N 3.32Å; T1133-D1135 HydrophobicContact CG2-CB 3.99Å; T1133-D1135 PolarHBondContact OG1-N 3.4Å; T1133-A1140 HydrophobicContact CG2-CB 3.72Å; T1133-C1355 PolarHBondContact N-O 3.34Å; T1133-C1355 VanDerWaalsContact O-O 3.11Å; T1133-C1356 CarbonylContact O-C 3.55Å; T1133-R1357 PolarHBondContact O-N 2.84Å; T1133-R1357 VanDerWaalsContact O-N 3.09Å; T1133-S1358 WeakPolarHBondContact O-CB 3.45Å; T1133-S1358 PolarHBondContact O-N 3.23Å; T1133-S1358 PolarHBondContact O-OG 3.1Å | ||
| 1134 | G | 78.1 | Confident | 86 | Confident | 44 Ų | 44 | 22.3 Ų | 22.3 | 45% | 0.454 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -78.4 | -12.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114 | R1357 | G1134-R1357 WeakPolarHBondContact O-CA 3.44Š|
| 1135 | D | 74.7 | Confident | 85.7 | Confident | 40 Ų | 40 | 25 Ų | 25 | 21% | 0.214 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -66.1 | 165.5 | -177.1 | -97.7 | 15.2 | 0 | 0 | 0 | 114.2 | K401 T1133 T1139 R1357 | K401-D1135 HydrophobicContact CD-CB 4.48Å; K401-D1135 VanDerWaalsContact CD-OD2 3.3Å; K401-D1135 WeakPolarHBondContact CD-OD2 3.44Å; K401-D1135 WeakPolarHBondContact CE-OD2 3.32Å; K401-D1135 IonicContact NZ-OD2 4Å; K401-D1135 PolarHBondContact NZ-OD2 2.78Å; T1133-D1135 VanDerWaalsContact C-N 3.32Å; T1133-D1135 HydrophobicContact CG2-CB 3.99Å; T1133-D1135 PolarHBondContact OG1-N 3.4Å; D1135-T1139 WeakPolarHBondContact OD2-CG2 3.26Å; D1135-R1357 WeakPolarHBondContact O-CG 3.49Å; D1135-R1357 PolarHBondContact O-N 3.01Å |
| 1136 | K | 69.8 | Low | 85.3 | Confident | 89 Ų | 89 | 28 Ų | 28 | 39% | 0.387 | 15% | 0.149 | S | C | . | . | trans | -60.4 | 156.4 | 169.2 | -53.7 | -177.1 | -171.2 | 169.8 | 0 | 111.3 | E1138 A1140 | K1136-E1138 VanDerWaalsContact CB-OE2 3.23Å; K1136-E1138 WeakPolarHBondContact CB-OE2 3.31Å; K1136-E1138 WeakPolarHBondContact CD-OE2 3.31Å; K1136-E1138 PolarHBondContact O-N 3.15Å; K1136-A1140 WeakPolarHBondContact O-CB 3.43Å; K1136-A1140 PolarHBondContact O-N 2.89Å | ||
| 1137 | Q | 82.6 | Confident | 85.2 | Confident | 26 Ų | 26 | 27.6 Ų | 27.6 | 12% | 0.121 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63 | -42.8 | -177.5 | 173 | -177 | -93.7 | 0 | 0 | 112.5 | A1140 V1141 Y1158 N1160 V1324 C1356 | Q1137-A1140 PolarHBondContact O-N 2.85Å; Q1137-V1141 HydrophobicContact CG-CG2 4.19Å; Q1137-V1141 WeakPolarHBondContact O-CB 3.35Å; Q1137-V1141 VanDerWaalsContact O-CG2 3.32Å; Q1137-V1141 WeakPolarHBondContact O-CG2 3.29Å; Q1137-V1141 PolarHBondContact O-N 3.45Å; Q1137-Y1158 HydrophobicContact CG-CE1 4.36Å; Q1137-N1160 PolarHBondContact NE2-ND2 3.38Å; Q1137-N1160 PolarHBondContact OE1-ND2 3.33Å; Q1137-N1160 PolarHBondContact OE1-OD1 3.45Å; Q1137-N1160 VanDerWaalsContact OE1-OD1 3.14Å; Q1137-V1324 HydrophobicContact CG-CG1 3.75Å; Q1137-C1356 HydrophobicContact CB-CB 4.17Å |
| 1138 | E | 75.3 | Confident | 84.9 | Confident | 93 Ų | 93 | 30 Ų | 30 | 44% | 0.435 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -60.4 | -52.9 | -176.4 | -44.6 | 73.7 | -112.6 | 0 | 0 | 110.2 | K1136 A1140 V1141 N1142 | K1136-E1138 VanDerWaalsContact CB-OE2 3.23Å; K1136-E1138 WeakPolarHBondContact CB-OE2 3.31Å; K1136-E1138 WeakPolarHBondContact CD-OE2 3.31Å; K1136-E1138 PolarHBondContact O-N 3.15Å; E1138-A1140 PolarHBondContact O-N 3.47Å; E1138-V1141 PolarHBondContact O-N 3.15Å; E1138-N1142 WeakPolarHBondContact O-CB 3.12Å; E1138-N1142 VanDerWaalsContact O-CG 3.25Å; E1138-N1142 PolarHBondContact O-N 3.01Å; E1138-N1142 PolarHBondContact O-ND2 3.23Å |
| 1139 | T | 74.4 | Confident | 84.8 | Confident | 29 Ų | 29 | 28 Ų | 28 | 18% | 0.178 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.8 | -46.3 | 174.8 | -46 | 0 | 0 | 0 | 0 | 112 | D1135 N1142 I1143 | D1135-T1139 WeakPolarHBondContact OD2-CG2 3.26Å; T1139-N1142 PolarHBondContact O-N 2.89Å; T1139-I1143 WeakPolarHBondContact O-CG1 3.43Å; T1139-I1143 PolarHBondContact O-N 3.15Å |
| 1140 | A | 84.2 | Confident | 84.4 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.6 | -43.6 | -179 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1131 T1133 K1136 Q1137 E1138 N1142 A1144 I1354 | M1131-A1140 HydrophobicContact SD-CB 4.12Å; T1133-A1140 HydrophobicContact CG2-CB 3.72Å; K1136-A1140 WeakPolarHBondContact O-CB 3.43Å; K1136-A1140 PolarHBondContact O-N 2.89Å; Q1137-A1140 PolarHBondContact O-N 2.85Å; E1138-A1140 PolarHBondContact O-N 3.47Å; A1140-N1142 VanDerWaalsContact C-N 3.32Å; A1140-N1142 PolarHBondContact O-N 3.33Å; A1140-A1144 WeakPolarHBondContact O-CB 3.19Å; A1140-A1144 PolarHBondContact O-N 3.35Å; A1140-I1354 HydrophobicContact CB-CG2 3.92Å |
| 1141 | V | 85.7 | Confident | 83.8 | Confident | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.024 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.8 | -37.1 | 175.9 | 168.8 | 0 | 0 | 0 | 0 | 111.4 | Q1137 E1138 A1144 R1145 Y1158 V1324 I1354 | Q1137-V1141 HydrophobicContact CG-CG2 4.19Å; Q1137-V1141 WeakPolarHBondContact O-CB 3.35Å; Q1137-V1141 VanDerWaalsContact O-CG2 3.32Å; Q1137-V1141 WeakPolarHBondContact O-CG2 3.29Å; Q1137-V1141 PolarHBondContact O-N 3.45Å; E1138-V1141 PolarHBondContact O-N 3.15Å; V1141-A1144 PolarHBondContact O-N 2.92Å; V1141-R1145 WeakPolarHBondContact O-CG 3.29Å; V1141-R1145 PolarHBondContact O-N 2.92Å; V1141-Y1158 HydrophobicContact CG2-CE1 4.29Å; V1141-V1324 HydrophobicContact CG2-CG1 4.02Å; V1141-V1324 HydrophobicContact CG2-CG2 3.81Å; V1141-I1354 HydrophobicContact CG2-CD1 4.34Å |
| 1142 | N | 81.2 | Confident | 82.9 | Confident | 15 Ų | 15 | 36.2 Ų | 36.2 | 8% | 0.08 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -71.7 | -48 | 178.6 | -73.3 | -25.3 | 0 | 0 | 0 | 112.8 | S1048 E1138 T1139 A1140 A1144 R1145 S1146 | S1048-N1142 PolarHBondContact O-ND2 2.92Å; E1138-N1142 WeakPolarHBondContact O-CB 3.12Å; E1138-N1142 VanDerWaalsContact O-CG 3.25Å; E1138-N1142 PolarHBondContact O-N 3.01Å; E1138-N1142 PolarHBondContact O-ND2 3.23Å; T1139-N1142 PolarHBondContact O-N 2.89Å; A1140-N1142 VanDerWaalsContact C-N 3.32Å; A1140-N1142 PolarHBondContact O-N 3.33Å; N1142-A1144 PolarHBondContact O-N 3.37Å; N1142-R1145 WeakPolarHBondContact O-CA 3.38Å; N1142-R1145 WeakPolarHBondContact O-CB 3.35Å; N1142-R1145 PolarHBondContact O-N 3.34Å; N1142-R1145 PolarHBondContact OD1-NH1 2.79Å; N1142-S1146 PolarHBondContact O-N 2.71Å; N1142-S1146 PolarHBondContact O-OG 3.08Å |
| 1143 | I | 85.3 | Confident | 82.2 | Confident | 9 Ų | 9 | 43.1 Ų | 43.1 | 5% | 0.046 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61 | -34.5 | 173.3 | -65.1 | -61.2 | 0 | 0 | 0 | 110.8 | K401 T406 D1109 L1111 M1131 T1139 R1145 S1146 A1147 | K401-I1143 HydrophobicContact CD-CB 4.31Å; K401-I1143 HydrophobicContact CD-CG1 4.05Å; K401-I1143 HydrophobicContact CD-CG2 4.4Å; K401-I1143 HydrophobicContact CG-CB 4.01Å; K401-I1143 HydrophobicContact CG-CG1 4.27Å; K401-I1143 HydrophobicContact CG-CG2 3.71Å; T406-I1143 HydrophobicContact CG2-CD1 4.03Å; T406-I1143 HydrophobicContact CG2-CG1 4.38Å; T406-I1143 HydrophobicContact CG2-CG2 4.18Å; D1109-I1143 HydrophobicContact CB-CD1 4.46Å; L1111-I1143 HydrophobicContact CD2-CG2 3.95Å; M1131-I1143 HydrophobicContact CE-CB 4.39Å; M1131-I1143 HydrophobicContact CE-CG2 3.98Å; T1139-I1143 WeakPolarHBondContact O-CG1 3.43Å; T1139-I1143 PolarHBondContact O-N 3.15Å; I1143-R1145 VanDerWaalsContact C-N 3.32Å; I1143-R1145 PolarHBondContact O-N 2.84Å; I1143-S1146 PolarHBondContact O-N 2.83Å; I1143-A1147 WeakPolarHBondContact O-CB 3.46Å; I1143-A1147 PolarHBondContact O-N 3.44Å |
| 1144 | A | 89.2 | Confident | 81.9 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.4 | -26.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | M1131 A1140 V1141 N1142 L1149 I1150 I1354 | M1131-A1144 HydrophobicContact CE-CB 4.08Å; A1140-A1144 WeakPolarHBondContact O-CB 3.19Å; A1140-A1144 PolarHBondContact O-N 3.35Å; V1141-A1144 PolarHBondContact O-N 2.92Å; N1142-A1144 PolarHBondContact O-N 3.37Å; A1144-L1149 HydrophobicContact CB-CB 4.01Å; A1144-L1149 HydrophobicContact CB-CD1 4.19Å; A1144-L1149 CarbonylContact O-C 3.5Å; A1144-L1149 WeakPolarHBondContact O-CA 3Å; A1144-L1149 WeakPolarHBondContact O-CB 3.38Å; A1144-L1149 PolarHBondContact O-N 3.24Å; A1144-I1150 HydrophobicContact CB-CG1 4.33Å; A1144-I1150 PolarHBondContact O-N 3.15Å; A1144-I1354 HydrophobicContact CB-CD1 3.3Å; A1144-I1354 HydrophobicContact CB-CG1 4.3Å |
| 1145 | R | 85.7 | Confident | 82.4 | Confident | 112 Ų | 112 | 44.1 Ų | 44.1 | 42% | 0.423 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -71.6 | -52.7 | 168.8 | -72.9 | 166.8 | 175.7 | 150.6 | -4 | 110.5 | V1141 N1142 I1143 A1147 N1148 I1150 | V1141-R1145 WeakPolarHBondContact O-CG 3.29Å; V1141-R1145 PolarHBondContact O-N 2.92Å; N1142-R1145 WeakPolarHBondContact O-CA 3.38Å; N1142-R1145 WeakPolarHBondContact O-CB 3.35Å; N1142-R1145 PolarHBondContact O-N 3.34Å; N1142-R1145 PolarHBondContact OD1-NH1 2.79Å; I1143-R1145 VanDerWaalsContact C-N 3.32Å; I1143-R1145 PolarHBondContact O-N 2.84Å; R1145-A1147 PolarHBondContact O-N 2.94Å; R1145-N1148 PolarHBondContact O-N 2.93Å; R1145-I1150 WeakPolarHBondContact CA-O 3.48Å; R1145-I1150 HydrophobicContact CG-CB 4.29Å; R1145-I1150 HydrophobicContact CG-CG2 4.35Å |
| 1146 | S | 84.2 | Confident | 83 | Confident | 62 Ų | 62 | 43.1 Ų | 43.1 | 43% | 0.434 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.5 | -32.8 | -179.9 | -51.9 | 0 | 0 | 0 | 0 | 112.8 | L1111 N1142 I1143 N1148 | L1111-S1146 WeakPolarHBondContact CD1-O 3.46Å; N1142-S1146 PolarHBondContact O-N 2.71Å; N1142-S1146 PolarHBondContact O-OG 3.08Å; I1143-S1146 PolarHBondContact O-N 2.83Å; S1146-N1148 VanDerWaalsContact C-N 3.33Å; S1146-N1148 PolarHBondContact O-N 2.7Å |
| 1147 | A | 88 | Confident | 84.1 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 13.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1111 V1115 I1119 I1143 R1145 L1149 | L1111-A1147 HydrophobicContact CD1-CB 4.33Å; L1111-A1147 HydrophobicContact CD2-CB 4.31Å; V1115-A1147 HydrophobicContact CG1-CB 3.97Å; I1119-A1147 HydrophobicContact CD1-CB 3.9Å; I1119-A1147 WeakPolarHBondContact CD1-O 3.25Å; I1143-A1147 WeakPolarHBondContact O-CB 3.46Å; I1143-A1147 PolarHBondContact O-N 3.44Å; R1145-A1147 PolarHBondContact O-N 2.94Å; A1147-L1149 PolarHBondContact O-N 2.98Å |
| 1148 | N | 86.7 | Confident | 84.5 | Confident | 57 Ų | 57 | 39.8 Ų | 39.8 | 31% | 0.305 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 17.8 | -176.8 | -83.6 | -10.2 | 0 | 0 | 0 | 116.2 | P1116 D1120 R1123 R1145 S1146 | P1116-N1148 HydrophobicContact CB-CB 4.45Å; D1120-N1148 PolarHBondContact OD2-ND2 3.45Å; R1123-N1148 PolarHBondContact NH1-O 3.36Å; R1145-N1148 PolarHBondContact O-N 2.93Å; S1146-N1148 VanDerWaalsContact C-N 3.33Å; S1146-N1148 PolarHBondContact O-N 2.7Å |
| 1149 | L | 88.3 | Confident | 85.3 | Confident | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -69.7 | -50.2 | 169.4 | -64.7 | 168.5 | 0 | 0 | 0 | 110 | I1119 R1123 V1129 M1131 A1144 A1147 N1352 | I1119-L1149 HydrophobicContact CD1-CD1 4.4Å; I1119-L1149 HydrophobicContact CD1-CD2 4.04Å; I1119-L1149 HydrophobicContact CD1-CG 4.04Å; I1119-L1149 HydrophobicContact CG1-CD2 4.44Å; I1119-L1149 HydrophobicContact CG2-CD2 3.64Å; I1119-L1149 HydrophobicContact CG2-CG 4.24Å; R1123-L1149 PolarHBondContact NH1-O 3.07Å; V1129-L1149 HydrophobicContact CB-CD2 3.75Å; V1129-L1149 HydrophobicContact CG1-CD2 3.67Å; M1131-L1149 HydrophobicContact CB-CD1 4.34Å; M1131-L1149 HydrophobicContact CE-CD1 3.98Å; A1144-L1149 HydrophobicContact CB-CB 4.01Å; A1144-L1149 HydrophobicContact CB-CD1 4.19Å; A1144-L1149 CarbonylContact O-C 3.5Å; A1144-L1149 WeakPolarHBondContact O-CA 3Å; A1144-L1149 WeakPolarHBondContact O-CB 3.38Å; A1144-L1149 PolarHBondContact O-N 3.24Å; A1147-L1149 PolarHBondContact O-N 2.98Å; L1149-N1352 PolarHBondContact O-ND2 3.36Å |
| 1150 | I | 87.1 | Confident | 86 | Confident | 10 Ų | 10 | 36.8 Ų | 36.8 | 5% | 0.051 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -106.1 | 94.7 | 173.3 | -61.6 | -174.6 | 0 | 0 | 0 | 109 | A1144 R1145 H1154 V1156 A1322 I1354 | A1144-I1150 HydrophobicContact CB-CG1 4.33Å; A1144-I1150 PolarHBondContact O-N 3.15Å; R1145-I1150 WeakPolarHBondContact CA-O 3.48Å; R1145-I1150 HydrophobicContact CG-CB 4.29Å; R1145-I1150 HydrophobicContact CG-CG2 4.35Å; I1150-H1154 HydrophobicContact CG2-CB 4.19Å; I1150-V1156 HydrophobicContact CD1-CG1 4.37Å; I1150-V1156 HydrophobicContact CD1-CG2 4.22Å; I1150-V1156 HydrophobicContact CG2-CG2 3.81Å; I1150-A1322 HydrophobicContact CD1-CB 3.99Å; I1150-A1322 HydrophobicContact CG1-CB 4.01Å; I1150-I1354 HydrophobicContact CD1-CD1 3.5Å; I1150-I1354 HydrophobicContact CD1-CG1 4.46Å; I1150-I1354 HydrophobicContact CG1-CD1 4.19Å |
| 1151 | T | 81.6 | Confident | 86 | Confident | 36 Ų | 36 | 37 Ų | 37 | 22% | 0.221 | 20% | 0.196 | C | C | . | . | trans | -76.6 | 159.5 | 168.3 | 74.5 | 0 | 0 | 0 | 0 | 110.4 | Q1153 H1154 | T1151-Q1153 PolarHBondContact O-N 2.81Å; T1151-H1154 PolarHBondContact N-ND1 3.39Å; T1151-H1154 WeakPolarHBondContact O-CB 3.3Å; T1151-H1154 PolarHBondContact O-N 3.13Å; T1151-H1154 PolarHBondContact O-ND1 2.99Å; T1151-H1154 PolarHBondContact OG1-CE1 3.06Å; T1151-H1154 VanDerWaalsContact OG1-CE1 3.25Å; T1151-H1154 PolarHBondContact OG1-ND1 3Å | ||
| 1152 | S | 75.8 | Confident | 86 | Confident | 130 Ų | 130 | 44 Ų | 44 | 91% | 0.909 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -14.5 | 177.6 | 53.5 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1153 | Q | 79.2 | Confident | 86.4 | Confident | 145 Ų | 145 | 46.1 Ų | 46.1 | 68% | 0.678 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -11.1 | 175.6 | -60.6 | 179 | 4.7 | 0 | 0 | 113.8 | T1151 P1320 | T1151-Q1153 PolarHBondContact O-N 2.81Å; Q1153-P1320 HydrophobicContact CB-CG 4.2Å; Q1153-P1320 WeakPolarHBondContact O-CD 3.48Å; Q1153-P1320 WeakPolarHBondContact O-CG 3.47Å |
| 1154 | H | 83.6 | Confident | 86.5 | Confident | 17 Ų | 17 | 49.7 Ų | 49.7 | 8% | 0.079 | 26% | 0.261 | C | S | . | . | trans | -81.5 | 128 | -177.8 | -69.5 | 65.5 | 0 | 0 | 0 | 111.5 | R1123 I1150 T1151 V1156 P1320 A1322 T1351 N1352 | R1123-H1154 PolarHBondContact NH2-CE1 3.05Å; R1123-H1154 VanDerWaalsContact NH2-CE1 3.28Å; R1123-H1154 PolarHBondContact NH2-NE2 3.06Å; I1150-H1154 HydrophobicContact CG2-CB 4.19Å; T1151-H1154 PolarHBondContact N-ND1 3.39Å; T1151-H1154 WeakPolarHBondContact O-CB 3.3Å; T1151-H1154 PolarHBondContact O-N 3.13Å; T1151-H1154 PolarHBondContact O-ND1 2.99Å; T1151-H1154 PolarHBondContact OG1-CE1 3.06Å; T1151-H1154 VanDerWaalsContact OG1-CE1 3.25Å; T1151-H1154 PolarHBondContact OG1-ND1 3Å; H1154-V1156 PolarHBondContact O-N 3.48Å; H1154-P1320 CarbonylContact C-O 3.59Å; H1154-P1320 WeakPolarHBondContact CA-O 3.41Å; H1154-A1322 HydrophobicContact CB-CB 4.2Å; H1154-T1351 PolarHBondContact CD2-OG1 2.83Å; H1154-T1351 PolarHBondContact NE2-OG1 3.12Å; H1154-N1352 PolarHBondContact NE2-ND2 2.88Å | ||
| 1155 | K | 87.3 | Confident | 86.5 | Confident | 49 Ų | 49 | 53 Ų | 53 | 21% | 0.213 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 113.8 | 165.2 | -165.4 | 161.5 | -165.7 | 154.2 | 0 | 108.5 | F1183 D1185 I1319 P1320 L1321 A1322 | K1155-F1183 HydrophobicContact CD-CB 4.23Å; K1155-F1183 HydrophobicContact CD-CD1 4.02Å; K1155-F1183 HydrophobicContact CD-CE1 4.48Å; K1155-F1183 HydrophobicContact CD-CG 4.05Å; K1155-D1185 WeakPolarHBondContact CE-OD1 3.46Å; K1155-D1185 IonicContact NZ-OD1 3.61Å; K1155-D1185 PolarHBondContact NZ-OD1 3Å; K1155-D1185 IonicContact NZ-OD2 3.57Å; K1155-I1319 HydrophobicContact CB-CG2 4.02Å; K1155-P1320 PolarHBondContact N-O 3.49Å; K1155-L1321 HydrophobicContact CB-CD2 4.07Å; K1155-A1322 PolarHBondContact O-N 3.21Å |
| 1156 | V | 87.9 | Confident | 86.8 | Confident | 19 Ų | 19 | 52.8 Ų | 52.8 | 12% | 0.115 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 131 | -178.2 | -167.3 | 0 | 0 | 0 | 0 | 109.9 | I1150 H1154 Y1158 A1322 V1324 | I1150-V1156 HydrophobicContact CD1-CG1 4.37Å; I1150-V1156 HydrophobicContact CD1-CG2 4.22Å; I1150-V1156 HydrophobicContact CG2-CG2 3.81Å; H1154-V1156 PolarHBondContact O-N 3.48Å; V1156-Y1158 HydrophobicContact CB-CE2 3.99Å; V1156-Y1158 HydrophobicContact CG1-CD2 4.27Å; V1156-Y1158 HydrophobicContact CG1-CE1 4.33Å; V1156-Y1158 HydrophobicContact CG1-CE2 3.6Å; V1156-A1322 WeakPolarHBondContact CA-O 3.4Å; V1156-A1322 HydrophobicContact CG1-CB 4.48Å; V1156-A1322 HydrophobicContact CG2-CB 4.31Å; V1156-V1324 HydrophobicContact CG1-CG2 3.56Å |
| 1157 | M | 91.7 | Very high | 87 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 139.9 | 173.5 | -62.7 | 177.1 | -73.6 | 0 | 0 | 109.7 | Y1174 I1178 F1183 L1321 A1322 L1323 V1324 L1346 C1350 | M1157-Y1174 HydrophobicContact CB-CD1 4.05Å; M1157-Y1174 HydrophobicContact CB-CE1 3.79Å; M1157-Y1174 HydrophobicContact CB-CE2 4.34Å; M1157-Y1174 HydrophobicContact CB-CG 4.44Å; M1157-Y1174 HydrophobicContact CG-CD1 3.77Å; M1157-Y1174 HydrophobicContact CG-CE1 3.8Å; M1157-Y1174 HydrophobicContact CG-CG 4.41Å; M1157-Y1174 HydrophobicContact SD-CD1 3.64Å; M1157-Y1174 HydrophobicContact SD-CE1 4.3Å; M1157-Y1174 HydrophobicContact SD-CG 3.92Å; M1157-I1178 HydrophobicContact CE-CD1 4.32Å; M1157-I1178 HydrophobicContact SD-CD1 4.18Å; M1157-F1183 HydrophobicContact CG-CE1 3.94Å; M1157-F1183 HydrophobicContact CG-CZ 4.42Å; M1157-F1183 HydrophobicContact SD-CE1 3.68Å; M1157-F1183 HydrophobicContact SD-CZ 3.7Å; M1157-L1321 HydrophobicContact CE-CB 4.13Å; M1157-L1321 HydrophobicContact CE-CD1 4.38Å; M1157-A1322 PolarHBondContact N-O 2.88Å; M1157-L1323 HydrophobicContact CB-CD1 3.96Å; M1157-V1324 PolarHBondContact O-N 2.74Å; M1157-L1346 HydrophobicContact CE-CD1 4.21Å; M1157-L1346 HydrophobicContact SD-CD1 4.38Å; M1157-C1350 VanDerWaalsContact CE-SG 3.53Å |
| 1158 | Y | 92.1 | Very high | 87.2 | Confident | 44 Ų | 44 | 51.9 Ų | 51.9 | 17% | 0.173 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 128 | -178 | -66.4 | -91.9 | 0 | 0 | 0 | 111.1 | Q1137 V1141 V1156 Y1174 V1324 | Q1137-Y1158 HydrophobicContact CG-CE1 4.36Å; V1141-Y1158 HydrophobicContact CG2-CE1 4.29Å; V1156-Y1158 HydrophobicContact CB-CE2 3.99Å; V1156-Y1158 HydrophobicContact CG1-CD2 4.27Å; V1156-Y1158 HydrophobicContact CG1-CE1 4.33Å; V1156-Y1158 HydrophobicContact CG1-CE2 3.6Å; Y1158-Y1174 PolarHBondContact N-OH 2.94Å; Y1158-Y1174 VanDerWaalsContact N-OH 3.15Å; Y1158-Y1174 VanDerWaalsContact O-CE2 3.27Å; Y1158-Y1174 WeakPolarHBondContact O-CE2 3.21Å; Y1158-Y1174 PolarHBondContact O-OH 3.44Å; Y1158-V1324 WeakPolarHBondContact CA-O 3.39Å; Y1158-V1324 HydrophobicContact CD1-CB 3.69Å; Y1158-V1324 HydrophobicContact CD1-CG1 3.82Å; Y1158-V1324 HydrophobicContact CD1-CG2 4.26Å; Y1158-V1324 HydrophobicContact CE1-CB 3.87Å; Y1158-V1324 HydrophobicContact CE1-CG1 3.91Å; Y1158-V1324 HydrophobicContact CE1-CG2 3.96Å; Y1158-V1324 HydrophobicContact CG-CB 4.44Å |
| 1159 | I | 92.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 91.3 | 172.4 | -58 | 178.7 | 0 | 0 | 0 | 108.5 | T1167 L1170 L1171 Y1174 L1323 V1324 I1325 D1326 S1329 L1346 | I1159-T1167 HydrophobicContact CG2-CG2 4.04Å; I1159-L1170 HydrophobicContact CG2-CB 4.45Å; I1159-L1170 HydrophobicContact CG2-CD1 4.3Å; I1159-L1171 HydrophobicContact CD1-CD2 3.81Å; I1159-L1171 HydrophobicContact CD1-CG 4.38Å; I1159-Y1174 HydrophobicContact CD1-CD2 4.34Å; I1159-Y1174 HydrophobicContact CG1-CD2 4.04Å; I1159-Y1174 HydrophobicContact CG1-CE2 3.79Å; I1159-L1323 HydrophobicContact CD1-CD1 3.85Å; I1159-L1323 HydrophobicContact CG1-CD1 3.99Å; I1159-V1324 PolarHBondContact N-O 3.18Å; I1159-I1325 HydrophobicContact CB-CB 4.39Å; I1159-I1325 HydrophobicContact CB-CD1 4.31Å; I1159-I1325 HydrophobicContact CB-CG1 4.11Å; I1159-I1325 HydrophobicContact CG2-CD1 4.23Å; I1159-I1325 HydrophobicContact CG2-CG1 4.33Å; I1159-D1326 PolarHBondContact O-N 3.49Å; I1159-S1329 WeakPolarHBondContact O-CB 3.48Å; I1159-S1329 PolarHBondContact O-OG 3.38Å; I1159-L1346 HydrophobicContact CD1-CD2 3.86Å |
| 1160 | N | 88.4 | Confident | 87.5 | Confident | 59 Ų | 59 | 55.4 Ų | 55.4 | 32% | 0.316 | 29% | 0.287 | S | S | . | . | trans | -121.5 | 128.2 | 176.5 | -59.1 | 12.6 | 0 | 0 | 0 | 108.2 | Q1137 D1326 | Q1137-N1160 PolarHBondContact NE2-ND2 3.38Å; Q1137-N1160 PolarHBondContact OE1-ND2 3.33Å; Q1137-N1160 PolarHBondContact OE1-OD1 3.45Å; Q1137-N1160 VanDerWaalsContact OE1-OD1 3.14Å; N1160-D1326 VanDerWaalsContact CA-OD2 3.23Å; N1160-D1326 WeakPolarHBondContact CA-OD2 3.33Å; N1160-D1326 WeakPolarHBondContact CB-OD2 3.29Å | ||
| 1161 | S | 84.8 | Confident | 87.7 | Confident | 4 Ų | 4 | 55 Ų | 55 | 3% | 0.028 | 28% | 0.284 | C | S | . | . | trans | -169.5 | 117.3 | -164.2 | -174.4 | 0 | 0 | 0 | 0 | 114.4 | S1163 R1166 T1167 S1329 Y1332 | S1161-S1163 PolarHBondContact O-N 3.14Å; S1161-S1163 PolarHBondContact OG-N 2.97Å; S1161-S1163 PolarHBondContact OG-O 3.41Å; S1161-R1166 WeakPolarHBondContact OG-CB 3.48Å; S1161-R1166 WeakPolarHBondContact OG-CG 3.39Å; S1161-T1167 VanDerWaalsContact CB-OG1 3.26Å; S1161-T1167 WeakPolarHBondContact CB-OG1 3.47Å; S1161-T1167 PolarHBondContact OG-N 2.97Å; S1161-T1167 PolarHBondContact OG-OG1 2.74Å; S1161-S1329 WeakPolarHBondContact CB-OG 3.25Å; S1161-S1329 PolarHBondContact N-OG 3.47Å; S1161-Y1332 WeakPolarHBondContact O-CE2 3.3Å | ||
| 1162 | H | 85.8 | Confident | 88.1 | Confident | 151 Ų | 151 | 56.5 Ų | 56.5 | 70% | 0.699 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -83.7 | 23.3 | 172 | -44.4 | -56.7 | 0 | 0 | 0 | 113.7 | E1328 | H1162-E1328 WeakPolarHBondContact CA-OE1 2.91Å; H1162-E1328 IonicContact CE1-OE2 2.96Å; H1162-E1328 IonicContact CG-OE2 3.45Å; H1162-E1328 IonicContact ND1-OE1 3.46Å; H1162-E1328 IonicContact ND1-OE2 3.79Å; H1162-E1328 PolarHBondContact ND1-OE2 3.07Å |
| 1163 | S | 88.5 | Confident | 88.7 | Confident | 59 Ų | 59 | 51.7 Ų | 51.7 | 41% | 0.413 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -162.2 | 127.6 | 179.9 | -173.4 | 0 | 0 | 0 | 0 | 113 | S1161 A1165 R1166 T1167 | S1161-S1163 PolarHBondContact O-N 3.14Å; S1161-S1163 PolarHBondContact OG-N 2.97Å; S1161-S1163 PolarHBondContact OG-O 3.41Å; S1163-A1165 PolarHBondContact O-N 3.07Å; S1163-A1165 VanDerWaalsContact O-N 3.12Å; S1163-R1166 WeakPolarHBondContact O-CA 3.39Å; S1163-R1166 PolarHBondContact O-N 3.12Å; S1163-T1167 PolarHBondContact O-N 2.96Å; S1163-T1167 PolarHBondContact O-OG1 2.88Å; S1163-T1167 VanDerWaalsContact O-OG1 3.1Å |
| 1164 | E | 89 | Confident | 89.1 | Confident | 84 Ų | 84 | 45.4 Ų | 45.4 | 39% | 0.393 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -48.8 | -40.2 | 176.9 | -176.2 | -178.2 | -170.2 | 0 | 0 | 113.9 | R1166 T1167 E1168 Y1332 N1336 | E1164-R1166 VanDerWaalsContact C-N 3.34Å; E1164-R1166 PolarHBondContact O-N 2.89Å; E1164-T1167 WeakPolarHBondContact O-CB 3.14Å; E1164-T1167 PolarHBondContact O-N 3.03Å; E1164-E1168 PolarHBondContact O-N 2.89Å; E1164-Y1332 HydrophobicContact CB-CD1 3.94Å; E1164-Y1332 HydrophobicContact CB-CG 4.06Å; E1164-N1336 WeakPolarHBondContact OE1-CB 3.45Å; E1164-N1336 PolarHBondContact OE1-ND2 2.93Å |
| 1165 | A | 88.8 | Confident | 89.2 | Confident | 70 Ų | 70 | 45.5 Ų | 45.5 | 58% | 0.579 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -68.6 | -32 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1163 Y1169 | S1163-A1165 PolarHBondContact O-N 3.07Å; S1163-A1165 VanDerWaalsContact O-N 3.12Å; A1165-Y1169 WeakPolarHBondContact O-CB 3.26Å; A1165-Y1169 PolarHBondContact O-N 2.82Å; A1165-Y1169 VanDerWaalsContact O-N 3.07Å |
| 1166 | R | 90.7 | Very high | 89.2 | Confident | 108 Ų | 108 | 50.7 Ų | 50.7 | 41% | 0.408 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -77.1 | -33.3 | 173.8 | 177.5 | 61.6 | 172.6 | -173.8 | -2.2 | 110.9 | S1161 S1163 E1164 Y1169 L1170 | S1161-R1166 WeakPolarHBondContact OG-CB 3.48Å; S1161-R1166 WeakPolarHBondContact OG-CG 3.39Å; S1163-R1166 WeakPolarHBondContact O-CA 3.39Å; S1163-R1166 PolarHBondContact O-N 3.12Å; E1164-R1166 VanDerWaalsContact C-N 3.34Å; E1164-R1166 PolarHBondContact O-N 2.89Å; R1166-Y1169 WeakPolarHBondContact O-CB 3.39Å; R1166-Y1169 PolarHBondContact O-N 3.01Å; R1166-L1170 HydrophobicContact CG-CD1 4.46Å; R1166-L1170 WeakPolarHBondContact O-CG 3.48Å; R1166-L1170 PolarHBondContact O-N 3.06Å |
| 1167 | T | 90.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.4 | -44.9 | 171 | -44.5 | 0 | 0 | 0 | 0 | 111.2 | I1159 S1161 S1163 E1164 Y1169 L1170 L1171 I1333 | I1159-T1167 HydrophobicContact CG2-CG2 4.04Å; S1161-T1167 VanDerWaalsContact CB-OG1 3.26Å; S1161-T1167 WeakPolarHBondContact CB-OG1 3.47Å; S1161-T1167 PolarHBondContact OG-N 2.97Å; S1161-T1167 PolarHBondContact OG-OG1 2.74Å; S1163-T1167 PolarHBondContact O-N 2.96Å; S1163-T1167 PolarHBondContact O-OG1 2.88Å; S1163-T1167 VanDerWaalsContact O-OG1 3.1Å; E1164-T1167 WeakPolarHBondContact O-CB 3.14Å; E1164-T1167 PolarHBondContact O-N 3.03Å; T1167-Y1169 VanDerWaalsContact C-N 3.34Å; T1167-Y1169 PolarHBondContact O-N 2.79Å; T1167-L1170 PolarHBondContact O-N 3.35Å; T1167-L1171 WeakPolarHBondContact O-CG 3.33Å; T1167-L1171 PolarHBondContact O-N 3.41Å; T1167-I1333 HydrophobicContact CG2-CD1 4.15Å; T1167-I1333 HydrophobicContact CG2-CG1 3.76Å |
| 1168 | E | 90.7 | Very high | 88.3 | Confident | 43 Ų | 43 | 51.9 Ų | 51.9 | 20% | 0.201 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.2 | -40.3 | 174.6 | -174.1 | 171.9 | -157.6 | 0 | 0 | 111.5 | E1164 N1172 R1338 N1339 K1342 | E1164-E1168 PolarHBondContact O-N 2.89Å; E1168-N1172 PolarHBondContact O-N 3.37Å; E1168-N1172 PolarHBondContact O-ND2 2.94Å; E1168-R1338 IonicContact OE1-CZ 2.68Å; E1168-R1338 IonicContact OE1-NE 3.44Å; E1168-R1338 IonicContact OE1-NH1 2.68Å; E1168-R1338 PolarHBondContact OE1-NH1 3.07Å; E1168-R1338 IonicContact OE2-NH1 3.53Å; E1168-N1339 WeakPolarHBondContact CB-OD1 3.37Å; E1168-N1339 WeakPolarHBondContact CG-OD1 3.37Å; E1168-K1342 IonicContact OE1-NZ 3.19Å; E1168-K1342 PolarHBondContact OE1-NZ 2.86Å |
| 1169 | Y | 91.7 | Very high | 87.6 | Confident | 123 Ų | 123 | 55.9 Ų | 55.9 | 48% | 0.482 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.1 | -50.8 | 173.3 | 174.3 | -88.4 | 0 | 0 | 0 | 112 | A1165 R1166 T1167 L1171 N1172 S1173 | A1165-Y1169 WeakPolarHBondContact O-CB 3.26Å; A1165-Y1169 PolarHBondContact O-N 2.82Å; A1165-Y1169 VanDerWaalsContact O-N 3.07Å; R1166-Y1169 WeakPolarHBondContact O-CB 3.39Å; R1166-Y1169 PolarHBondContact O-N 3.01Å; T1167-Y1169 VanDerWaalsContact C-N 3.34Å; T1167-Y1169 PolarHBondContact O-N 2.79Å; Y1169-L1171 PolarHBondContact O-N 2.99Å; Y1169-N1172 WeakPolarHBondContact O-CB 3.43Å; Y1169-N1172 PolarHBondContact O-N 2.92Å; Y1169-N1172 VanDerWaalsContact O-N 3.16Å; Y1169-S1173 PolarHBondContact O-N 2.77Å; Y1169-S1173 PolarHBondContact O-OG 3.22Å |
| 1170 | L | 91.4 | Very high | 86.9 | Confident | 11 Ų | 11 | 58.2 Ų | 58.2 | 6% | 0.058 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.1 | -44 | -178.2 | -72.4 | 171.3 | 0 | 0 | 0 | 112 | I1159 R1166 T1167 N1172 S1173 Y1174 | I1159-L1170 HydrophobicContact CG2-CB 4.45Å; I1159-L1170 HydrophobicContact CG2-CD1 4.3Å; R1166-L1170 HydrophobicContact CG-CD1 4.46Å; R1166-L1170 WeakPolarHBondContact O-CG 3.48Å; R1166-L1170 PolarHBondContact O-N 3.06Å; T1167-L1170 PolarHBondContact O-N 3.35Å; L1170-N1172 VanDerWaalsContact C-N 3.32Å; L1170-N1172 PolarHBondContact O-N 3.15Å; L1170-S1173 WeakPolarHBondContact CA-OG 3.27Å; L1170-S1173 PolarHBondContact O-N 3.39Å; L1170-S1173 PolarHBondContact O-OG 3.19Å; L1170-Y1174 HydrophobicContact CB-CE2 4.33Å; L1170-Y1174 HydrophobicContact CD2-CE2 4.39Å; L1170-Y1174 WeakPolarHBondContact O-CD2 3.47Å; L1170-Y1174 PolarHBondContact O-N 3.31Å |
| 1171 | L | 90.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.8 | -45 | 173.1 | -76.2 | 170.8 | 0 | 0 | 0 | 111.9 | I1159 T1167 Y1169 L1175 I1333 N1339 K1342 F1343 L1346 | I1159-L1171 HydrophobicContact CD1-CD2 3.81Å; I1159-L1171 HydrophobicContact CD1-CG 4.38Å; T1167-L1171 WeakPolarHBondContact O-CG 3.33Å; T1167-L1171 PolarHBondContact O-N 3.41Å; Y1169-L1171 PolarHBondContact O-N 2.99Å; L1171-L1175 WeakPolarHBondContact O-CB 3.48Å; L1171-L1175 WeakPolarHBondContact O-CD1 3.3Å; L1171-L1175 VanDerWaalsContact O-CG 3.29Å; L1171-L1175 WeakPolarHBondContact O-CG 3.48Å; L1171-L1175 PolarHBondContact O-N 3.21Å; L1171-L1175 VanDerWaalsContact O-N 3.09Å; L1171-I1333 HydrophobicContact CD1-CD1 3.97Å; L1171-I1333 HydrophobicContact CD1-CG1 4.02Å; L1171-I1333 HydrophobicContact CD2-CD1 4.15Å; L1171-I1333 HydrophobicContact CG-CD1 4.37Å; L1171-N1339 HydrophobicContact CD1-CB 4.02Å; L1171-K1342 HydrophobicContact CB-CB 4.33Å; L1171-K1342 HydrophobicContact CB-CD 4.48Å; L1171-K1342 HydrophobicContact CD1-CB 4.25Å; L1171-F1343 HydrophobicContact CD2-CB 4.24Å; L1171-F1343 HydrophobicContact CD2-CD2 4.34Å; L1171-L1346 HydrophobicContact CD2-CD2 3.92Å |
| 1172 | N | 90.5 | Very high | 84.7 | Confident | 68 Ų | 68 | 63.4 Ų | 63.4 | 36% | 0.364 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.5 | -42.9 | 177.4 | -65.7 | -31.9 | 0 | 0 | 0 | 111.9 | E1168 Y1169 L1170 Y1176 K1342 | E1168-N1172 PolarHBondContact O-N 3.37Å; E1168-N1172 PolarHBondContact O-ND2 2.94Å; Y1169-N1172 WeakPolarHBondContact O-CB 3.43Å; Y1169-N1172 PolarHBondContact O-N 2.92Å; Y1169-N1172 VanDerWaalsContact O-N 3.16Å; L1170-N1172 VanDerWaalsContact C-N 3.32Å; L1170-N1172 PolarHBondContact O-N 3.15Å; N1172-Y1176 VanDerWaalsContact O-CB 3.25Å; N1172-Y1176 WeakPolarHBondContact O-CB 3.44Å; N1172-Y1176 PolarHBondContact O-N 3.15Å; N1172-K1342 WeakPolarHBondContact OD1-CD 3.36Å; N1172-K1342 WeakPolarHBondContact OD1-CE 3.43Å; N1172-K1342 PolarHBondContact OD1-NZ 3Å |
| 1173 | S | 88 | Confident | 83.2 | Confident | 30 Ų | 30 | 58.8 Ų | 58.8 | 21% | 0.21 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.7 | -39.4 | -177.5 | 55.2 | 0 | 0 | 0 | 0 | 112.5 | Y1169 L1170 G1177 | Y1169-S1173 PolarHBondContact O-N 2.77Å; Y1169-S1173 PolarHBondContact O-OG 3.22Å; L1170-S1173 WeakPolarHBondContact CA-OG 3.27Å; L1170-S1173 PolarHBondContact O-N 3.39Å; L1170-S1173 PolarHBondContact O-OG 3.19Å; S1173-G1177 PolarHBondContact O-N 3.09Å |
| 1174 | Y | 88.5 | Confident | 81.1 | Confident | 13 Ų | 13 | 64 Ų | 64 | 5% | 0.051 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.3 | -44.8 | 175.1 | -68.9 | -55.6 | 0 | 0 | 0 | 111.8 | M1157 Y1158 I1159 L1170 Y1176 G1177 I1178 | M1157-Y1174 HydrophobicContact CB-CD1 4.05Å; M1157-Y1174 HydrophobicContact CB-CE1 3.79Å; M1157-Y1174 HydrophobicContact CB-CE2 4.34Å; M1157-Y1174 HydrophobicContact CB-CG 4.44Å; M1157-Y1174 HydrophobicContact CG-CD1 3.77Å; M1157-Y1174 HydrophobicContact CG-CE1 3.8Å; M1157-Y1174 HydrophobicContact CG-CG 4.41Å; M1157-Y1174 HydrophobicContact SD-CD1 3.64Å; M1157-Y1174 HydrophobicContact SD-CE1 4.3Å; M1157-Y1174 HydrophobicContact SD-CG 3.92Å; Y1158-Y1174 PolarHBondContact N-OH 2.94Å; Y1158-Y1174 VanDerWaalsContact N-OH 3.15Å; Y1158-Y1174 VanDerWaalsContact O-CE2 3.27Å; Y1158-Y1174 WeakPolarHBondContact O-CE2 3.21Å; Y1158-Y1174 PolarHBondContact O-OH 3.44Å; I1159-Y1174 HydrophobicContact CD1-CD2 4.34Å; I1159-Y1174 HydrophobicContact CG1-CD2 4.04Å; I1159-Y1174 HydrophobicContact CG1-CE2 3.79Å; L1170-Y1174 HydrophobicContact CB-CE2 4.33Å; L1170-Y1174 HydrophobicContact CD2-CE2 4.39Å; L1170-Y1174 WeakPolarHBondContact O-CD2 3.47Å; L1170-Y1174 PolarHBondContact O-N 3.31Å; Y1174-Y1176 VanDerWaalsContact C-N 3.32Å; Y1174-Y1176 PolarHBondContact O-N 3.22Å; Y1174-G1177 PolarHBondContact O-N 3.48Å; Y1174-I1178 WeakPolarHBondContact O-CD1 3.36Å; Y1174-I1178 VanDerWaalsContact O-CG1 3.26Å; Y1174-I1178 WeakPolarHBondContact O-CG1 3.29Å; Y1174-I1178 PolarHBondContact O-N 2.82Å |
| 1175 | L | 86 | Confident | 78.9 | Confident | 18 Ų | 18 | 65.5 Ų | 65.5 | 9% | 0.094 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.7 | -44.3 | 173.6 | -77.7 | 170 | 0 | 0 | 0 | 111.9 | L1171 I1179 K1342 K1345 L1346 M1349 | L1171-L1175 WeakPolarHBondContact O-CB 3.48Å; L1171-L1175 WeakPolarHBondContact O-CD1 3.3Å; L1171-L1175 VanDerWaalsContact O-CG 3.29Å; L1171-L1175 WeakPolarHBondContact O-CG 3.48Å; L1171-L1175 PolarHBondContact O-N 3.21Å; L1171-L1175 VanDerWaalsContact O-N 3.09Å; L1175-I1179 WeakPolarHBondContact O-CB 3.34Å; L1175-I1179 WeakPolarHBondContact O-CD1 3.2Å; L1175-I1179 WeakPolarHBondContact O-CG1 3.46Å; L1175-I1179 PolarHBondContact O-N 3.27Å; L1175-K1342 HydrophobicContact CD1-CB 3.89Å; L1175-K1342 HydrophobicContact CD1-CG 4.22Å; L1175-K1345 HydrophobicContact CD2-CB 3.94Å; L1175-L1346 HydrophobicContact CD2-CB 4.15Å; L1175-L1346 HydrophobicContact CD2-CD1 4.45Å; L1175-L1346 HydrophobicContact CG-CB 4.44Å; L1175-M1349 HydrophobicContact CD2-CE 4.41Å |
| 1176 | Y | 85.7 | Confident | 76.5 | Confident | 159 Ų | 159 | 64.5 Ų | 64.5 | 62% | 0.624 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -67 | -41.8 | 177.5 | -173.8 | -91.8 | 0 | 0 | 0 | 112.2 | N1172 Y1174 I1178 I1179 S1180 | N1172-Y1176 VanDerWaalsContact O-CB 3.25Å; N1172-Y1176 WeakPolarHBondContact O-CB 3.44Å; N1172-Y1176 PolarHBondContact O-N 3.15Å; Y1174-Y1176 VanDerWaalsContact C-N 3.32Å; Y1174-Y1176 PolarHBondContact O-N 3.22Å; Y1176-I1178 PolarHBondContact O-N 2.92Å; Y1176-I1179 PolarHBondContact O-N 3.29Å; Y1176-S1180 VanDerWaalsContact O-CB 3.24Å; Y1176-S1180 WeakPolarHBondContact O-CB 3.36Å; Y1176-S1180 PolarHBondContact O-N 2.93Å; Y1176-S1180 PolarHBondContact O-OG 2.95Å |
| 1177 | G | 81.1 | Confident | 74 | Confident | 7 Ų | 7 | 62.1 Ų | 62.1 | 7% | 0.072 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1173 Y1174 S1180 G1181 Q1182 | S1173-G1177 PolarHBondContact O-N 3.09Å; Y1174-G1177 PolarHBondContact O-N 3.48Å; G1177-S1180 PolarHBondContact O-OG 2.81Å; G1177-G1181 CarbonylContact O-C 3.52Å; G1177-G1181 PolarHBondContact O-N 2.6Å; G1177-G1181 VanDerWaalsContact O-N 3.11Å; G1177-Q1182 PolarHBondContact O-N 3.27Å |
| 1178 | I | 79.4 | Confident | 71.4 | Confident | 38 Ų | 38 | 64.9 Ų | 64.9 | 20% | 0.195 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.9 | -45.7 | 175.2 | -60.4 | 158.9 | 0 | 0 | 0 | 111 | M1157 Y1174 Y1176 G1181 F1183 L1321 L1346 M1349 | M1157-I1178 HydrophobicContact CE-CD1 4.32Å; M1157-I1178 HydrophobicContact SD-CD1 4.18Å; Y1174-I1178 WeakPolarHBondContact O-CD1 3.36Å; Y1174-I1178 VanDerWaalsContact O-CG1 3.26Å; Y1174-I1178 WeakPolarHBondContact O-CG1 3.29Å; Y1174-I1178 PolarHBondContact O-N 2.82Å; Y1176-I1178 PolarHBondContact O-N 2.92Å; I1178-G1181 PolarHBondContact O-N 2.81Å; I1178-F1183 HydrophobicContact CB-CE2 4.31Å; I1178-F1183 HydrophobicContact CD1-CZ 4.24Å; I1178-F1183 HydrophobicContact CG1-CE1 4.46Å; I1178-F1183 HydrophobicContact CG1-CE2 3.51Å; I1178-F1183 HydrophobicContact CG1-CZ 3.39Å; I1178-L1321 HydrophobicContact CD1-CD1 3.98Å; I1178-L1321 HydrophobicContact CG1-CD1 3.97Å; I1178-L1321 HydrophobicContact CG2-CD1 4.38Å; I1178-L1346 HydrophobicContact CD1-CD1 3.43Å; I1178-L1346 VanDerWaalsContact CD1-CD1 3.43Å; I1178-M1349 HydrophobicContact CB-SD 4.12Å; I1178-M1349 HydrophobicContact CD1-CB 4.44Å; I1178-M1349 HydrophobicContact CD1-SD 4.1Å; I1178-M1349 HydrophobicContact CG2-SD 3.5Å; I1178-M1349 WeakPolarHBondContact CG2-SD 3.47Å |
| 1179 | I | 78.5 | Confident | 68.7 | Low | 128 Ų | 128 | 68.2 Ų | 68.2 | 66% | 0.656 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -70.7 | -34.4 | -176 | -69.5 | 167.7 | 0 | 0 | 0 | 112.3 | L1175 Y1176 | L1175-I1179 WeakPolarHBondContact O-CB 3.34Å; L1175-I1179 WeakPolarHBondContact O-CD1 3.2Å; L1175-I1179 WeakPolarHBondContact O-CG1 3.46Å; L1175-I1179 PolarHBondContact O-N 3.27Å; Y1176-I1179 PolarHBondContact O-N 3.29Å |
| 1180 | S | 76.8 | Confident | 65.8 | Low | 49 Ų | 49 | 64.5 Ų | 64.5 | 34% | 0.343 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -83.2 | -12.6 | 176.7 | 62.2 | 0 | 0 | 0 | 0 | 113.9 | Y1176 G1177 Q1182 | Y1176-S1180 VanDerWaalsContact O-CB 3.24Å; Y1176-S1180 WeakPolarHBondContact O-CB 3.36Å; Y1176-S1180 PolarHBondContact O-N 2.93Å; Y1176-S1180 PolarHBondContact O-OG 2.95Å; G1177-S1180 PolarHBondContact O-OG 2.81Å; S1180-Q1182 PolarHBondContact O-N 2.88Å; S1180-Q1182 PolarHBondContact OG-N 3.39Å |
| 1181 | G | 67.4 | Low | 63 | Low | 63 Ų | 63 | 66.5 Ų | 66.5 | 65% | 0.649 | 36% | 0.359 | S | S | * | . | S | Bend | trans | 71.9 | -5.7 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | G1177 I1178 F1183 | G1177-G1181 CarbonylContact O-C 3.52Å; G1177-G1181 PolarHBondContact O-N 2.6Å; G1177-G1181 VanDerWaalsContact O-N 3.11Å; I1178-G1181 PolarHBondContact O-N 2.81Å; G1181-F1183 PolarHBondContact O-N 3.24Å |
| 1182 | Q | 59.3 | Low | 60.2 | Low | 110 Ų | 110 | 71.6 Ų | 71.6 | 51% | 0.514 | 39% | 0.386 | S | S | . | . | trans | -89.8 | 77.4 | 179.4 | -65 | -169.6 | -2 | 0 | 0 | 111.3 | G1177 S1180 Y1184 | G1177-Q1182 PolarHBondContact O-N 3.27Å; S1180-Q1182 PolarHBondContact O-N 2.88Å; S1180-Q1182 PolarHBondContact OG-N 3.39Å; Q1182-Y1184 HydrophobicContact CB-CD2 4.22Å; Q1182-Y1184 HydrophobicContact CB-CE2 3.89Å; Q1182-Y1184 WeakPolarHBondContact O-CD2 3.44Å; Q1182-Y1184 PolarHBondContact O-N 2.65Å; Q1182-Y1184 VanDerWaalsContact O-N 3.12Å; Q1182-Y1184 PolarHBondContact OE1-OH 2.74Å | ||
| 1183 | F | 54.1 | Low | 57.3 | Low | 54 Ų | 54 | 74 Ų | 74 | 24% | 0.237 | 39% | 0.394 | C | S | . | . | trans | -73.5 | 93.7 | 161.2 | -93.3 | -80.3 | 0 | 0 | 0 | 110.2 | K1155 M1157 I1178 G1181 D1185 L1321 | K1155-F1183 HydrophobicContact CD-CB 4.23Å; K1155-F1183 HydrophobicContact CD-CD1 4.02Å; K1155-F1183 HydrophobicContact CD-CE1 4.48Å; K1155-F1183 HydrophobicContact CD-CG 4.05Å; M1157-F1183 HydrophobicContact CG-CE1 3.94Å; M1157-F1183 HydrophobicContact CG-CZ 4.42Å; M1157-F1183 HydrophobicContact SD-CE1 3.68Å; M1157-F1183 HydrophobicContact SD-CZ 3.7Å; I1178-F1183 HydrophobicContact CB-CE2 4.31Å; I1178-F1183 HydrophobicContact CD1-CZ 4.24Å; I1178-F1183 HydrophobicContact CG1-CE1 4.46Å; I1178-F1183 HydrophobicContact CG1-CE2 3.51Å; I1178-F1183 HydrophobicContact CG1-CZ 3.39Å; G1181-F1183 PolarHBondContact O-N 3.24Å; F1183-D1185 PolarHBondContact O-N 3.03Å; F1183-L1321 HydrophobicContact CE2-CD1 4.34Å; F1183-L1321 HydrophobicContact CE2-CD2 3.85Å; F1183-L1321 HydrophobicContact CZ-CD1 4.26Å; F1183-L1321 HydrophobicContact CZ-CD2 3.69Å | ||
| 1184 | Y | 45.8 | Very low | 54.5 | Low | 167 Ų | 167 | 77.5 Ų | 77.5 | 66% | 0.655 | 41% | 0.409 | S | S | * | . | trans | -63.2 | 112.8 | 169.9 | -76.6 | -101.6 | 0 | 0 | 0 | 110.6 | Q1182 G1186 L1187 | Q1182-Y1184 HydrophobicContact CB-CD2 4.22Å; Q1182-Y1184 HydrophobicContact CB-CE2 3.89Å; Q1182-Y1184 WeakPolarHBondContact O-CD2 3.44Å; Q1182-Y1184 PolarHBondContact O-N 2.65Å; Q1182-Y1184 VanDerWaalsContact O-N 3.12Å; Q1182-Y1184 PolarHBondContact OE1-OH 2.74Å; Y1184-G1186 PolarHBondContact O-N 3.01Å; Y1184-L1187 PolarHBondContact O-N 3.36Å | ||
| 1185 | D | 43 | Very low | 51.8 | Low | 116 Ų | 116 | 82.8 Ų | 82.8 | 62% | 0.62 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -25.3 | 177.3 | -70.1 | -56.1 | 0 | 0 | 0 | 113.4 | K1155 F1183 L1187 N1188 | K1155-D1185 WeakPolarHBondContact CE-OD1 3.46Å; K1155-D1185 IonicContact NZ-OD1 3.61Å; K1155-D1185 PolarHBondContact NZ-OD1 3Å; K1155-D1185 IonicContact NZ-OD2 3.57Å; F1183-D1185 PolarHBondContact O-N 3.03Å; D1185-L1187 PolarHBondContact O-N 2.92Å; D1185-N1188 PolarHBondContact O-N 3.45Å |
| 1186 | G | 36.9 | Very low | 49.1 | Very low | 50 Ų | 50 | 90.3 Ų | 90.3 | 52% | 0.515 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64 | -4.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y1184 | Y1184-G1186 PolarHBondContact O-N 3.01Å |
| 1187 | L | 38.4 | Very low | 46.3 | Very low | 58 Ų | 58 | 90.8 Ų | 90.8 | 30% | 0.304 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -77.5 | -34 | 172.3 | -82.2 | 170 | 0 | 0 | 0 | 112.9 | Y1184 D1185 S1190 N1191 | Y1184-L1187 PolarHBondContact O-N 3.36Å; D1185-L1187 PolarHBondContact O-N 2.92Å; L1187-S1190 PolarHBondContact O-N 3.22Å; L1187-S1190 PolarHBondContact O-OG 2.96Å; L1187-N1191 PolarHBondContact O-N 3.42Å |
| 1188 | N | 36.7 | Very low | 43.6 | Very low | 58 Ų | 58 | 95.7 Ų | 95.7 | 31% | 0.31 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -71.5 | -44.8 | 178.8 | -74.4 | 8.1 | 0 | 0 | 0 | 110.9 | D1185 S1190 N1191 D1192 | D1185-N1188 PolarHBondContact O-N 3.45Å; N1188-S1190 PolarHBondContact O-N 2.68Å; N1188-S1190 VanDerWaalsContact O-N 3.07Å; N1188-N1191 PolarHBondContact O-N 3.33Å; N1188-D1192 PolarHBondContact O-N 2.96Å; N1188-D1192 VanDerWaalsContact O-N 3.14Å |
| 1189 | E | 32.7 | Very low | 41 | Very low | 112 Ų | 112 | 97.8 Ų | 97.8 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -53.2 | -31.7 | 170.3 | -89.5 | -163.3 | -149.5 | 0 | 0 | 113 | N1191 K1193 | E1189-N1191 VanDerWaalsContact C-N 3.3Å; E1189-N1191 PolarHBondContact O-N 2.92Å; E1189-K1193 VanDerWaalsContact O-CB 3.28Å; E1189-K1193 WeakPolarHBondContact O-CB 3.4Å; E1189-K1193 WeakPolarHBondContact O-CD 3.38Å; E1189-K1193 VanDerWaalsContact O-CG 3.22Å; E1189-K1193 WeakPolarHBondContact O-CG 3.49Å; E1189-K1193 PolarHBondContact O-N 3.44Å; E1189-K1193 VanDerWaalsContact O-N 3.09Å; E1189-K1193 IonicContact OE2-NZ 2.8Å; E1189-K1193 PolarHBondContact OE2-NZ 3.08Å |
| 1190 | S | 31.8 | Very low | 38.4 | Very low | 45 Ų | 45 | 97.6 Ų | 97.6 | 32% | 0.315 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -73.2 | -21 | 179.6 | 79.6 | 0 | 0 | 0 | 0 | 113.6 | L1187 N1188 L1194 | L1187-S1190 PolarHBondContact O-N 3.22Å; L1187-S1190 PolarHBondContact O-OG 2.96Å; N1188-S1190 PolarHBondContact O-N 2.68Å; N1188-S1190 VanDerWaalsContact O-N 3.07Å; S1190-L1194 WeakPolarHBondContact O-CB 3.1Å; S1190-L1194 PolarHBondContact O-N 2.87Å |
| 1191 | N | 32.6 | Very low | 35.9 | Very low | 54 Ų | 54 | 105.4 Ų | 105.4 | 29% | 0.289 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -86.5 | -45.1 | 172.6 | -73 | -10.9 | 0 | 0 | 0 | 111.4 | L1187 N1188 E1189 K1193 L1194 E1195 | L1187-N1191 PolarHBondContact O-N 3.42Å; N1188-N1191 PolarHBondContact O-N 3.33Å; E1189-N1191 VanDerWaalsContact C-N 3.3Å; E1189-N1191 PolarHBondContact O-N 2.92Å; N1191-K1193 PolarHBondContact O-N 2.88Å; N1191-K1193 VanDerWaalsContact O-N 3.15Å; N1191-L1194 WeakPolarHBondContact O-CA 3.08Å; N1191-L1194 PolarHBondContact O-N 3.33Å; N1191-E1195 PolarHBondContact O-N 2.85Å |
| 1192 | D | 31.5 | Very low | 33.9 | Very low | 106 Ų | 106 | 111.5 Ų | 111.5 | 57% | 0.567 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -58.5 | -29.7 | 175.2 | -58.9 | -12.5 | 0 | 0 | 0 | 111.7 | N1188 | N1188-D1192 PolarHBondContact O-N 2.96Å; N1188-D1192 VanDerWaalsContact O-N 3.14Å |
| 1193 | K | 30 | Very low | 32.1 | Very low | 120 Ų | 120 | 111.5 Ų | 111.5 | 52% | 0.522 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.8 | -21.7 | 172.2 | -70 | 167.7 | -177.1 | 170.4 | 0 | 113.2 | E1189 N1191 F1197 | E1189-K1193 VanDerWaalsContact O-CB 3.28Å; E1189-K1193 WeakPolarHBondContact O-CB 3.4Å; E1189-K1193 WeakPolarHBondContact O-CD 3.38Å; E1189-K1193 VanDerWaalsContact O-CG 3.22Å; E1189-K1193 WeakPolarHBondContact O-CG 3.49Å; E1189-K1193 PolarHBondContact O-N 3.44Å; E1189-K1193 VanDerWaalsContact O-N 3.09Å; E1189-K1193 IonicContact OE2-NZ 2.8Å; E1189-K1193 PolarHBondContact OE2-NZ 3.08Å; N1191-K1193 PolarHBondContact O-N 2.88Å; N1191-K1193 VanDerWaalsContact O-N 3.15Å; K1193-F1197 WeakPolarHBondContact O-CD2 3.4Å |
| 1194 | L | 28.8 | Very low | 30.6 | Very low | 103 Ų | 103 | 116.5 Ų | 116.5 | 54% | 0.539 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.4 | -29 | 178.1 | -142.5 | 73.8 | 0 | 0 | 0 | 113.5 | S1190 N1191 K1196 F1197 T1198 | S1190-L1194 WeakPolarHBondContact O-CB 3.1Å; S1190-L1194 PolarHBondContact O-N 2.87Å; N1191-L1194 WeakPolarHBondContact O-CA 3.08Å; N1191-L1194 PolarHBondContact O-N 3.33Å; L1194-K1196 PolarHBondContact O-N 3.48Å; L1194-F1197 CarbonylContact O-C 3.6Å; L1194-F1197 WeakPolarHBondContact O-CA 3.19Å; L1194-F1197 WeakPolarHBondContact O-CB 3.13Å; L1194-F1197 PolarHBondContact O-N 3.16Å; L1194-T1198 PolarHBondContact O-N 2.77Å |
| 1195 | E | 31.2 | Very low | 29.6 | Very low | 123 Ų | 123 | 113 Ų | 113 | 58% | 0.575 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -63.9 | -26.6 | 171.5 | -68.2 | -170.3 | 153.9 | 0 | 0 | 111.7 | N1191 F1197 T1198 | N1191-E1195 PolarHBondContact O-N 2.85Å; E1195-F1197 PolarHBondContact O-N 3.25Å; E1195-T1198 PolarHBondContact O-OG1 2.66Å; E1195-T1198 VanDerWaalsContact O-OG1 3.05Å |
| 1196 | K | 29.1 | Very low | 28.7 | Very low | 176 Ų | 176 | 116.7 Ų | 116.7 | 77% | 0.765 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -75.7 | -3 | 168.3 | -64.8 | -172.1 | 178.2 | -174.6 | 0 | 114.3 | L1194 | L1194-K1196 PolarHBondContact O-N 3.48Š|
| 1197 | F | 26.3 | Very low | 28.1 | Very low | 169 Ų | 169 | 123.6 Ų | 123.6 | 74% | 0.741 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -114.3 | -2.9 | 177.4 | -88.5 | -72 | 0 | 0 | 0 | 114.9 | K1193 L1194 E1195 N1199 | K1193-F1197 WeakPolarHBondContact O-CD2 3.4Å; L1194-F1197 CarbonylContact O-C 3.6Å; L1194-F1197 WeakPolarHBondContact O-CA 3.19Å; L1194-F1197 WeakPolarHBondContact O-CB 3.13Å; L1194-F1197 PolarHBondContact O-N 3.16Å; E1195-F1197 PolarHBondContact O-N 3.25Å; F1197-N1199 PolarHBondContact O-N 3.34Å |
| 1198 | T | 25.7 | Very low | 27.4 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 68% | 0.681 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -79 | -1.7 | 170.7 | 53.1 | 0 | 0 | 0 | 0 | 113.3 | L1194 E1195 P1200 | L1194-T1198 PolarHBondContact O-N 2.77Å; E1195-T1198 PolarHBondContact O-OG1 2.66Å; E1195-T1198 VanDerWaalsContact O-OG1 3.05Å; T1198-P1200 VanDerWaalsContact O-CD 3.3Å; T1198-P1200 WeakPolarHBondContact O-CD 3.42Å |
| 1199 | N | 24.9 | Very low | 26.8 | Very low | 82 Ų | 82 | 133.2 Ų | 133.2 | 44% | 0.439 | 67% | 0.668 | S | S | . | * | S | Bend | trans | -105.6 | 95.2 | -179.1 | -143.5 | 7.1 | 0 | 0 | 0 | 110 | N1024 F1197 R1201 | N1024-N1199 PolarHBondContact ND2-OD1 3.49Å; N1024-N1199 PolarHBondContact OD1-ND2 3.36Å; F1197-N1199 PolarHBondContact O-N 3.34Å; N1199-R1201 PolarHBondContact O-N 3.3Å |
| 1200 | P | 24.3 | Very low | 26.5 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 81% | 0.805 | 68% | 0.679 | S | S | * | * | trans | -81.1 | 42.6 | -166.9 | 34.6 | -38.8 | 0 | 0 | 0 | 114.4 | T1198 | T1198-P1200 VanDerWaalsContact O-CD 3.3Å; T1198-P1200 WeakPolarHBondContact O-CD 3.42Å | ||
| 1201 | R | 24 | Very low | 26.2 | Very low | 213 Ų | 213 | 139.4 Ų | 139.4 | 80% | 0.804 | 70% | 0.697 | S | S | * | * | trans | -151.9 | 100 | 172.3 | -77.3 | -177.8 | -174.9 | 169.5 | 3.3 | 110.9 | N1199 | N1199-R1201 PolarHBondContact O-N 3.3Š| ||
| 1202 | Y | 24.7 | Very low | 25.9 | Very low | 190 Ų | 190 | 144.6 Ų | 144.6 | 75% | 0.745 | 72% | 0.719 | S | S | * | * | trans | -178.9 | 69 | 137.8 | -97.3 | -60.2 | 0 | 0 | 0 | 110.3 | ||||
| 1203 | S | 21.5 | Very low | 25.8 | Very low | 111 Ų | 111 | 147.3 Ų | 147.3 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | trans | -139.7 | 54.7 | 175.8 | 54.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1204 | N | 23 | Very low | 25.5 | Very low | 159 Ų | 159 | 146.9 Ų | 146.9 | 85% | 0.85 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -161.5 | 159.1 | 163.3 | -97.9 | -35 | 0 | 0 | 0 | 110.3 | ||
| 1205 | A | 23.9 | Very low | 25.4 | Very low | 93 Ų | 93 | 148.2 Ų | 148.2 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | trans | 67.9 | 63.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1206 | Q | 24 | Very low | 25.3 | Very low | 193 Ų | 193 | 150.6 Ų | 150.6 | 90% | 0.902 | 75% | 0.754 | S | S | * | * | -135.5 | 93.8 | 128 | -85.3 | -157.6 | -5.2 | 0 | 0 | 110.7 | |||||
| 1207 | Q | 25.8 | Very low | 25.3 | Very low | 196 Ų | 196 | 147.2 Ų | 147.2 | 92% | 0.916 | 75% | 0.75 | S | S | * | * | trans | -140.6 | 128.7 | 152.7 | -142.3 | 173 | 10.8 | 0 | 0 | 107.2 | ||||
| 1208 | Y | 23.6 | Very low | 25.3 | Very low | 229 Ų | 229 | 145.2 Ų | 145.2 | 90% | 0.898 | 75% | 0.752 | S | S | * | * | trans | -81 | 168.4 | -171 | -113.6 | -100.8 | 0 | 0 | 0 | 112.3 | ||||
| 1209 | S | 23.4 | Very low | 25.4 | Very low | 88 Ų | 88 | 149.9 Ų | 149.9 | 62% | 0.615 | 76% | 0.763 | S | S | * | * | trans | 88.6 | 113 | 153.6 | -169.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1210 | Q | 26.3 | Very low | 25.4 | Very low | 159 Ų | 159 | 152.8 Ų | 152.8 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | trans | 85.8 | 105 | 141.9 | -71.5 | 172.5 | 28.1 | 0 | 0 | 122.2 | ||||
| 1211 | N | 25.5 | Very low | 25.5 | Very low | 129 Ų | 129 | 157.7 Ų | 157.7 | 69% | 0.69 | 78% | 0.781 | S | S | * | * | 81.8 | 108.1 | 117.7 | -63.5 | 0.4 | 0 | 0 | 0 | 122.5 | |||||
| 1212 | H | 27.1 | Very low | 25.8 | Very low | 163 Ų | 163 | 153.2 Ų | 153.2 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | 80.2 | 136.2 | 128.4 | -80.2 | -64.1 | 0 | 0 | 0 | 123.7 | |||||
| 1213 | Q | 27.7 | Very low | 25.9 | Very low | 162 Ų | 162 | 150.9 Ų | 150.9 | 76% | 0.757 | 78% | 0.783 | S | S | * | * | trans | 79.1 | 91.2 | 144.9 | -72.1 | 174 | -2 | 0 | 0 | 121.4 | ||||
| 1214 | T | 24.3 | Very low | 26.2 | Very low | 111 Ų | 111 | 152.1 Ų | 152.1 | 68% | 0.681 | 78% | 0.78 | S | S | * | * | 30.4 | 121.7 | 109.8 | 60.3 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 1215 | N | 26.6 | Very low | 26.4 | Very low | 132 Ų | 132 | 151.5 Ų | 151.5 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | 179.1 | 153 | 64.6 | -108.1 | -19.8 | 0 | 0 | 0 | 115.8 | |||||
| 1216 | H | 29 | Very low | 26.5 | Very low | 172 Ų | 172 | 157.3 Ų | 157.3 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | trans | 59 | 144.3 | 150.6 | -76.1 | -69.8 | 0 | 0 | 0 | 125 | ||||
| 1217 | P | 29.5 | Very low | 26.6 | Very low | 106 Ų | 106 | 153.1 Ų | 153.1 | 69% | 0.688 | 77% | 0.769 | S | S | * | * | trans | -130 | -177.5 | -178.9 | 37.8 | -17.4 | 0 | 0 | 0 | 117.3 | ||||
| 1218 | T | 26.4 | Very low | 26.7 | Very low | 127 Ų | 127 | 149 Ų | 149 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | trans | 88 | 126 | 159.9 | 73.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1219 | K | 28.8 | Very low | 26.8 | Very low | 208 Ų | 208 | 143.3 Ų | 143.3 | 90% | 0.904 | 76% | 0.756 | S | S | * | * | -161.8 | 152.2 | 114.5 | -109.2 | 172.7 | -177.2 | 175.4 | 0 | 113.5 | |||||
| 1220 | N | 25.1 | Very low | 27.1 | Very low | 143 Ų | 143 | 147.4 Ų | 147.4 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | trans | -93.6 | 176.9 | 176.7 | -76.7 | -57.6 | 0 | 0 | 0 | 110.1 | ||||
| 1221 | R | 25.5 | Very low | 27.1 | Very low | 228 Ų | 228 | 144.2 Ų | 144.2 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | cis | -168.5 | 159.3 | -5.8 | -121.6 | 172.2 | 180 | 176.3 | -0.8 | 107 | ||||
| 1222 | S | 29.5 | Very low | 27.7 | Very low | 118 Ų | 118 | 142.6 Ų | 142.6 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | trans | -157.1 | 169.3 | 156.1 | 61.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 1223 | N | 27.7 | Very low | 27.6 | Very low | 142 Ų | 142 | 143 Ų | 143 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | trans | -161.7 | 164.7 | -157 | -110.6 | -7.1 | 0 | 0 | 0 | 109.3 | ||||
| 1224 | L | 27 | Very low | 27.6 | Very low | 137 Ų | 137 | 146.5 Ų | 146.5 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | cis | -165.1 | -173.8 | -7.1 | -170.3 | 66.1 | 0 | 0 | 0 | 107.5 | ||||
| 1225 | L | 28 | Very low | 27.6 | Very low | 146 Ų | 146 | 146.4 Ų | 146.4 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | trans | 85.7 | 156.9 | 160.1 | -55.4 | 166.5 | 0 | 0 | 0 | 118.9 | ||||
| 1226 | R | 26 | Very low | 27.5 | Very low | 215 Ų | 215 | 151 Ų | 151 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | cis | -171.3 | 141.8 | -48.4 | -146 | -174.1 | -174.4 | 176.6 | 0.8 | 112.6 | ||||
| 1227 | S | 27 | Very low | 27.2 | Very low | 104 Ų | 104 | 149 Ų | 149 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | 59.7 | 156.8 | 150 | 37.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1228 | S | 26.1 | Very low | 26.9 | Very low | 109 Ų | 109 | 150.9 Ų | 150.9 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | cis | -153.3 | 156.5 | -7.6 | 46.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1229 | S | 26.6 | Very low | 26.8 | Very low | 110 Ų | 110 | 153.2 Ų | 153.2 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | 179.2 | 176.1 | 89.3 | 48.9 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1230 | H | 29.4 | Very low | 26.5 | Very low | 175 Ų | 175 | 154.9 Ų | 154.9 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | 67 | 63.9 | 178.2 | -79.1 | -48.8 | 0 | 0 | 0 | 120.9 | ||||
| 1231 | S | 26.4 | Very low | 26.5 | Very low | 91 Ų | 91 | 154.3 Ų | 154.3 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | 31.8 | 153.6 | 105.6 | 72.6 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 1232 | P | 37.5 | Very low | 26.4 | Very low | 96 Ų | 96 | 154.3 Ų | 154.3 | 62% | 0.623 | 78% | 0.783 | S | S | * | * | cis | -148.4 | 168.2 | -33.4 | 40.4 | -22.7 | 0 | 0 | 0 | 116.9 | ||||
| 1233 | H | 26.8 | Very low | 26.2 | Very low | 170 Ų | 170 | 156.6 Ų | 156.6 | 79% | 0.787 | 78% | 0.784 | S | S | * | * | trans | 65.7 | 149.6 | 150.4 | -63.4 | -29.5 | 0 | 0 | 0 | 120.4 | ||||
| 1234 | R | 26.4 | Very low | 26 | Very low | 237 Ų | 237 | 156.9 Ų | 156.9 | 89% | 0.894 | 78% | 0.784 | S | S | * | * | cis | -138.8 | 170.2 | -7.7 | -133 | 175.7 | -175.1 | 177.1 | 1.9 | 109.1 | ||||
| 1235 | S | 23.9 | Very low | 25.9 | Very low | 108 Ų | 108 | 159.1 Ų | 159.1 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | -143.3 | 144.2 | -167.9 | 172.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 1236 | R | 24.7 | Very low | 25.7 | Very low | 229 Ų | 229 | 158.9 Ų | 158.9 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | 166.4 | 132.4 | 131.5 | -97.9 | 173.9 | 173.5 | 174.8 | -3 | 115.1 | ||||
| 1237 | T | 23 | Very low | 25.5 | Very low | 131 Ų | 131 | 157.6 Ų | 157.6 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | 55.9 | 155.3 | 150.1 | 7.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1238 | I | 23.3 | Very low | 25.3 | Very low | 144 Ų | 144 | 162 Ų | 162 | 74% | 0.738 | 80% | 0.804 | S | S | * | * | cis | -130 | 158.5 | 15.3 | -65.4 | -178.4 | 0 | 0 | 0 | 112.2 | ||||
| 1239 | H | 23.9 | Very low | 25.2 | Very low | 176 Ų | 176 | 162.9 Ų | 162.9 | 82% | 0.815 | 81% | 0.808 | S | S | * | * | trans | 8.6 | 133 | 173 | -70.2 | -66 | 0 | 0 | 0 | 123 | ||||
| 1240 | R | 23.6 | Very low | 25 | Very low | 244 Ų | 244 | 163.3 Ų | 163.3 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | trans | -118.1 | 103.6 | 164.3 | -172.5 | -177.9 | -165.9 | 171.5 | 4.9 | 109.1 | ||||
| 1241 | V | 25 | Very low | 24.8 | Very low | 130 Ų | 130 | 160.6 Ų | 160.6 | 79% | 0.788 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 140.2 | 175.7 | 177.5 | 0 | 0 | 0 | 0 | 109.9 | ||
| 1242 | R | 23.1 | Very low | 24.7 | Very low | 229 Ų | 229 | 164 Ų | 164 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 123.8 | 173.4 | -83.8 | -179 | 169.5 | 165 | -3.9 | 110.2 | ||
| 1243 | I | 24.7 | Very low | 24.1 | Very low | 165 Ų | 165 | 165.2 Ų | 165.2 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 130 | 160.8 | -62 | 171.7 | 0 | 0 | 0 | 107.6 | ||
| 1244 | I | 24.6 | Very low | 23.9 | Very low | 148 Ų | 148 | 168.2 Ų | 168.2 | 76% | 0.759 | 83% | 0.834 | S | S | * | * | trans | -104.1 | 143.9 | 165.2 | -68 | 179.2 | 0 | 0 | 0 | 108.1 | ||||
| 1245 | Q | 24 | Very low | 23.8 | Very low | 185 Ų | 185 | 164.3 Ų | 164.3 | 86% | 0.864 | 83% | 0.831 | S | S | * | * | trans | -79.6 | 136 | -177.3 | -59.9 | 162.2 | -61 | 0 | 0 | 111.1 | ||||
| 1246 | T | 23.2 | Very low | 23.8 | Very low | 141 Ų | 141 | 166.5 Ų | 166.5 | 87% | 0.865 | 83% | 0.833 | S | S | * | * | trans | -129.1 | 165.9 | 157.5 | 51 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1247 | Q | 23.3 | Very low | 23.6 | Very low | 188 Ų | 188 | 161.6 Ų | 161.6 | 88% | 0.879 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -92 | 159 | -152 | -67.3 | 159.6 | -30.9 | 0 | 0 | 114.4 | ||
| 1248 | K | 21.2 | Very low | 23.6 | Very low | 195 Ų | 195 | 165.5 Ų | 165.5 | 85% | 0.848 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 132.5 | 173.1 | -62.2 | 176.1 | 179.3 | 177.6 | 0 | 111.2 | ||
| 1249 | P | 25.3 | Very low | 23.6 | Very low | 128 Ų | 128 | 168.8 Ų | 168.8 | 83% | 0.831 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 145 | 149.1 | 32.4 | -31.2 | 0 | 0 | 0 | 109.4 | ||
| 1250 | S | 22.2 | Very low | 23.5 | Very low | 119 Ų | 119 | 169.2 Ų | 169.2 | 83% | 0.832 | 84% | 0.841 | S | S | * | * | trans | -125.2 | 78.9 | -170.9 | 51.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1251 | S | 24.6 | Very low | 23.4 | Very low | 118 Ų | 118 | 165.7 Ų | 165.7 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | trans | -162.4 | 126.1 | 152.9 | 53.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1252 | L | 24.5 | Very low | 23.3 | Very low | 163 Ų | 163 | 169.8 Ų | 169.8 | 85% | 0.853 | 84% | 0.838 | S | S | * | * | trans | -142.9 | 124.6 | 165.6 | -151.3 | 99.3 | 0 | 0 | 0 | 106.4 | ||||
| 1253 | P | 25.8 | Very low | 23.3 | Very low | 121 Ų | 121 | 164 Ų | 164 | 79% | 0.786 | 83% | 0.833 | S | S | * | * | trans | -65.6 | 142.1 | 175.9 | 27.6 | -33.7 | 0 | 0 | 0 | 109.8 | ||||
| 1254 | R | 22.6 | Very low | 23.1 | Very low | 233 Ų | 233 | 161.6 Ų | 161.6 | 88% | 0.879 | 83% | 0.83 | S | S | * | * | trans | -82.7 | 128.1 | 169.8 | -62.2 | 176.7 | -176.4 | 168.9 | 1.1 | 108.3 | ||||
| 1255 | D | 22.6 | Very low | 23.1 | Very low | 155 Ų | 155 | 162.8 Ų | 162.8 | 83% | 0.829 | 83% | 0.832 | S | S | * | * | -179 | -174.1 | 124 | -90.9 | -11.8 | 0 | 0 | 0 | 110.2 | |||||
| 1256 | I | 25 | Very low | 23.1 | Very low | 155 Ų | 155 | 159.8 Ų | 159.8 | 80% | 0.795 | 82% | 0.822 | S | S | * | * | trans | 69.3 | 60.7 | -173.5 | -40 | -179.5 | 0 | 0 | 0 | 113.4 | Y1258 | I1256-Y1258 PolarHBondContact O-N 3.36Š| ||
| 1257 | T | 21.1 | Very low | 23 | Very low | 125 Ų | 125 | 158.9 Ų | 158.9 | 77% | 0.767 | 81% | 0.812 | S | S | * | * | trans | -61.8 | 116 | 139.8 | 48.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1258 | Y | 22.5 | Very low | 23.1 | Very low | 213 Ų | 213 | 159 Ų | 159 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | 172.1 | 84 | 144.9 | -92.9 | -58.5 | 0 | 0 | 0 | 111.1 | I1256 | I1256-Y1258 PolarHBondContact O-N 3.36Š| ||
| 1259 | F | 23.5 | Very low | 23.2 | Very low | 213 Ų | 213 | 157.5 Ų | 157.5 | 93% | 0.934 | 81% | 0.811 | S | S | * | * | trans | 168.9 | 74.5 | 144.5 | -105.6 | -71.5 | 0 | 0 | 0 | 109.2 | ||||
| 1260 | H | 21.9 | Very low | 23.1 | Very low | 185 Ų | 185 | 161 Ų | 161 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | trans | -149.9 | 68.2 | 175.3 | -152.7 | -64.6 | 0 | 0 | 0 | 112.5 | ||||
| 1261 | E | 21.5 | Very low | 23.2 | Very low | 170 Ų | 170 | 163.2 Ų | 163.2 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | trans | -130.5 | 143.2 | 172.2 | -156.4 | 164 | -135.5 | 0 | 0 | 109.7 | ||||
| 1262 | Y | 22.5 | Very low | 23.2 | Very low | 217 Ų | 217 | 165.7 Ų | 165.7 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | S | Bend | trans | 58.9 | 104 | -164 | -57.7 | -85.2 | 0 | 0 | 0 | 113.6 | ||
| 1263 | S | 22.9 | Very low | 23.2 | Very low | 108 Ų | 108 | 164.2 Ų | 164.2 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | cis | -154.8 | 130.4 | 46.7 | -177.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1264 | S | 20.7 | Very low | 23.2 | Very low | 113 Ų | 113 | 168.3 Ų | 168.3 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | trans | -164.8 | 65.2 | 155.6 | -166.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1265 | H | 24.4 | Very low | 23.3 | Very low | 173 Ų | 173 | 165.6 Ų | 165.6 | 80% | 0.801 | 81% | 0.81 | S | S | * | * | trans | -164.2 | 137.2 | 162.2 | -102 | 21.8 | 0 | 0 | 0 | 108.1 | ||||
| 1266 | N | 23.5 | Very low | 23.5 | Very low | 123 Ų | 123 | 163.2 Ų | 163.2 | 66% | 0.658 | 81% | 0.806 | S | S | * | * | cis | -153.5 | 168.1 | -9.5 | -147.6 | -27.4 | 0 | 0 | 0 | 111.3 | ||||
| 1267 | N | 22.6 | Very low | 23.8 | Very low | 121 Ų | 121 | 165 Ų | 165 | 65% | 0.647 | 81% | 0.808 | S | S | * | * | trans | -21.5 | 146.2 | 176.4 | -97.9 | -78.8 | 0 | 0 | 0 | 122.1 | ||||
| 1268 | K | 23.5 | Very low | 24.2 | Very low | 190 Ų | 190 | 168.8 Ų | 168.8 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | trans | 85 | 133.7 | 142.2 | -70.7 | 164.3 | -173.3 | 178.3 | 0 | 121 | ||||
| 1269 | N | 24.5 | Very low | 24.5 | Very low | 164 Ų | 164 | 165.9 Ų | 165.9 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | trans | -69.3 | 132.4 | 176.3 | -63 | -31.4 | 0 | 0 | 0 | 113.5 | ||||
| 1270 | K | 21.9 | Very low | 24.9 | Very low | 201 Ų | 201 | 159.3 Ų | 159.3 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -165.8 | 162.6 | 137.8 | -116.7 | 173.8 | -177.1 | -179.3 | 0 | 112 | ||||
| 1271 | I | 26.2 | Very low | 25.5 | Very low | 166 Ų | 166 | 158.6 Ų | 158.6 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | trans | 72.6 | 121.9 | 176.4 | -56.7 | 170 | 0 | 0 | 0 | 115.1 | ||||
| 1272 | K | 23.9 | Very low | 26.2 | Very low | 171 Ų | 171 | 155.4 Ų | 155.4 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | -98.2 | 165.2 | 168.5 | -71.8 | -176.4 | 174.1 | -176.8 | 0 | 110.3 | ||||
| 1273 | T | 24.8 | Very low | 26.7 | Very low | 132 Ų | 132 | 149.8 Ų | 149.8 | 81% | 0.81 | 75% | 0.748 | S | S | * | * | trans | 85.3 | 157.2 | 162.8 | 79.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1274 | K | 24.8 | Very low | 27.2 | Very low | 206 Ų | 206 | 152.2 Ų | 152.2 | 90% | 0.896 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 64.7 | 56.5 | 175.3 | -65.3 | -172.2 | 176.1 | 179.8 | 0 | 119 | ||
| 1275 | Q | 26 | Very low | 27.9 | Very low | 176 Ų | 176 | 153.1 Ų | 153.1 | 82% | 0.822 | 74% | 0.735 | S | S | * | * | trans | -146.1 | 0.7 | 155.9 | -122 | 174.4 | 19.6 | 0 | 0 | 118.1 | K1277 | Q1275-K1277 PolarHBondContact O-N 3.47Š| ||
| 1276 | S | 25.7 | Very low | 28.4 | Very low | 105 Ų | 105 | 152.2 Ų | 152.2 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -67.4 | -34 | -171.4 | 174.8 | 0 | 0 | 0 | 0 | 116.1 | Y1278 | S1276-Y1278 PolarHBondContact O-N 3.29Å |
| 1277 | K | 30.8 | Very low | 28.9 | Very low | 194 Ų | 194 | 151.5 Ų | 151.5 | 84% | 0.843 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -76.2 | -19.2 | -169.5 | -93.3 | -173.9 | 173.9 | -179 | 0 | 116.2 | Q1275 | Q1275-K1277 PolarHBondContact O-N 3.47Å |
| 1278 | Y | 29.6 | Very low | 29.6 | Very low | 203 Ų | 203 | 151.5 Ų | 151.5 | 80% | 0.796 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -85.4 | -38.1 | 178 | -101.8 | -86.2 | 0 | 0 | 0 | 112.9 | S1276 S1280 K1281 L1282 | S1276-Y1278 PolarHBondContact O-N 3.29Å; Y1278-S1280 PolarHBondContact O-N 3.44Å; Y1278-K1281 PolarHBondContact O-N 2.92Å; Y1278-L1282 PolarHBondContact O-N 3.34Å |
| 1279 | F | 30.2 | Very low | 30.1 | Very low | 153 Ų | 153 | 147 Ų | 147 | 67% | 0.671 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -62.7 | -41.9 | -176.6 | -156.9 | -102.8 | 0 | 0 | 0 | 112.2 | K1281 L1282 L1283 | F1279-K1281 VanDerWaalsContact C-N 3.33Å; F1279-K1281 PolarHBondContact O-N 2.67Å; F1279-L1282 PolarHBondContact O-N 3.11Å; F1279-L1283 WeakPolarHBondContact O-CB 3.47Å; F1279-L1283 PolarHBondContact O-N 3Å |
| 1280 | S | 31 | Very low | 30.7 | Very low | 74 Ų | 74 | 144.7 Ų | 144.7 | 52% | 0.517 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -58.6 | -40 | 175.5 | 178.1 | 0 | 0 | 0 | 0 | 113.2 | Y1278 K1284 | Y1278-S1280 PolarHBondContact O-N 3.44Å; S1280-K1284 PolarHBondContact O-N 3.04Å |
| 1281 | K | 33.5 | Very low | 31.3 | Very low | 170 Ų | 170 | 138.8 Ų | 138.8 | 74% | 0.739 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -74.6 | -38.8 | -179.8 | -126.2 | -179.3 | -177.8 | -175.4 | 0 | 111.9 | Y1278 F1279 F1285 | Y1278-K1281 PolarHBondContact O-N 2.92Å; F1279-K1281 VanDerWaalsContact C-N 3.33Å; F1279-K1281 PolarHBondContact O-N 2.67Å; K1281-F1285 PolarHBondContact O-N 3.04Å; K1281-F1285 VanDerWaalsContact O-N 3.15Å |
| 1282 | L | 36.6 | Very low | 31.6 | Very low | 104 Ų | 104 | 140.5 Ų | 140.5 | 55% | 0.545 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -67.9 | -39.6 | 176.5 | -158.5 | 76.4 | 0 | 0 | 0 | 111.8 | Y1278 F1279 F1285 Y1286 | Y1278-L1282 PolarHBondContact O-N 3.34Å; F1279-L1282 PolarHBondContact O-N 3.11Å; L1282-F1285 PolarHBondContact O-N 2.92Å; L1282-Y1286 HydrophobicContact CG-CD2 4.41Å; L1282-Y1286 PolarHBondContact O-N 3.2Å |
| 1283 | L | 34.1 | Very low | 31.9 | Very low | 98 Ų | 98 | 138.9 Ų | 138.9 | 51% | 0.513 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -65.4 | -41.7 | 178.1 | -165.2 | 69.2 | 0 | 0 | 0 | 111.9 | F1279 F1285 Y1286 H1287 | F1279-L1283 WeakPolarHBondContact O-CB 3.47Å; F1279-L1283 PolarHBondContact O-N 3Å; L1283-F1285 VanDerWaalsContact C-N 3.32Å; L1283-F1285 PolarHBondContact O-N 3.4Å; L1283-Y1286 PolarHBondContact O-N 2.74Å; L1283-H1287 PolarHBondContact O-N 3.48Å |
| 1284 | K | 33.1 | Very low | 32.5 | Very low | 159 Ų | 159 | 134 Ų | 134 | 69% | 0.691 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -62.1 | -37.1 | 171.8 | -76.9 | -168 | 173.4 | -170.2 | 0 | 112.6 | S1280 H1287 L1288 | S1280-K1284 PolarHBondContact O-N 3.04Å; K1284-H1287 PolarHBondContact O-N 2.92Å; K1284-L1288 PolarHBondContact O-N 2.93Å; K1284-L1288 VanDerWaalsContact O-N 3.09Å |
| 1285 | F | 35.9 | Very low | 33 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 58% | 0.583 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -68.1 | -39.1 | 176.4 | -157.9 | -98.8 | 0 | 0 | 0 | 112.2 | K1281 L1282 L1283 L1288 L1289 | K1281-F1285 PolarHBondContact O-N 3.04Å; K1281-F1285 VanDerWaalsContact O-N 3.15Å; L1282-F1285 PolarHBondContact O-N 2.92Å; L1283-F1285 VanDerWaalsContact C-N 3.32Å; L1283-F1285 PolarHBondContact O-N 3.4Å; F1285-L1288 PolarHBondContact O-N 2.69Å; F1285-L1289 HydrophobicContact CD1-CD1 3.9Å; F1285-L1289 HydrophobicContact CE1-CD1 3.86Å; F1285-L1289 PolarHBondContact O-N 2.56Å |
| 1286 | Y | 34.1 | Very low | 33.3 | Very low | 153 Ų | 153 | 126 Ų | 126 | 60% | 0.6 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66 | -41.4 | 172.4 | -98.4 | -87.8 | 0 | 0 | 0 | 112.7 | L1282 L1283 L1288 L1289 F1290 | L1282-Y1286 HydrophobicContact CG-CD2 4.41Å; L1282-Y1286 PolarHBondContact O-N 3.2Å; L1283-Y1286 PolarHBondContact O-N 2.74Å; Y1286-L1288 VanDerWaalsContact C-N 3.29Å; Y1286-L1288 PolarHBondContact O-N 3.03Å; Y1286-L1289 PolarHBondContact O-N 2.75Å; Y1286-L1289 VanDerWaalsContact O-N 3.16Å; Y1286-F1290 WeakPolarHBondContact O-CB 3.22Å; Y1286-F1290 PolarHBondContact O-N 3.1Å |
| 1287 | H | 34.9 | Very low | 33.6 | Very low | 108 Ų | 108 | 125.8 Ų | 125.8 | 50% | 0.5 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -57.9 | -40.7 | 173.1 | -112.8 | -88.1 | 0 | 0 | 0 | 112.4 | L1283 K1284 L1289 F1290 T1291 | L1283-H1287 PolarHBondContact O-N 3.48Å; K1284-H1287 PolarHBondContact O-N 2.92Å; H1287-L1289 VanDerWaalsContact C-N 3.3Å; H1287-L1289 PolarHBondContact O-N 3.34Å; H1287-F1290 PolarHBondContact O-N 3.25Å; H1287-T1291 WeakPolarHBondContact O-CG2 3.42Å; H1287-T1291 PolarHBondContact O-N 3.2Å; H1287-T1291 PolarHBondContact O-OG1 3.06Å |
| 1288 | L | 36.5 | Very low | 33.8 | Very low | 121 Ų | 121 | 119.6 Ų | 119.6 | 63% | 0.634 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68.8 | -27.5 | 179.1 | -149.3 | 85.2 | 0 | 0 | 0 | 113 | K1284 F1285 Y1286 T1291 R1292 | K1284-L1288 PolarHBondContact O-N 2.93Å; K1284-L1288 VanDerWaalsContact O-N 3.09Å; F1285-L1288 PolarHBondContact O-N 2.69Å; Y1286-L1288 VanDerWaalsContact C-N 3.29Å; Y1286-L1288 PolarHBondContact O-N 3.03Å; L1288-T1291 PolarHBondContact O-OG1 2.92Å; L1288-R1292 WeakPolarHBondContact O-CB 3.45Å |
| 1289 | L | 33.2 | Very low | 34 | Very low | 95 Ų | 95 | 112.2 Ų | 112.2 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -81.8 | -37.4 | 172.8 | -74.9 | 166.5 | 0 | 0 | 0 | 112 | F1285 Y1286 H1287 R1292 H1293 | F1285-L1289 HydrophobicContact CD1-CD1 3.9Å; F1285-L1289 HydrophobicContact CE1-CD1 3.86Å; F1285-L1289 PolarHBondContact O-N 2.56Å; Y1286-L1289 PolarHBondContact O-N 2.75Å; Y1286-L1289 VanDerWaalsContact O-N 3.16Å; H1287-L1289 VanDerWaalsContact C-N 3.3Å; H1287-L1289 PolarHBondContact O-N 3.34Å; L1289-R1292 PolarHBondContact O-N 3.27Å; L1289-H1293 PolarHBondContact O-N 3.49Å |
| 1290 | F | 37.6 | Very low | 34 | Very low | 117 Ų | 117 | 107.7 Ų | 107.7 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68 | -46.2 | -179.6 | -135.7 | -93.9 | 0 | 0 | 0 | 112.1 | Y1286 H1287 R1292 H1293 H1294 | Y1286-F1290 WeakPolarHBondContact O-CB 3.22Å; Y1286-F1290 PolarHBondContact O-N 3.1Å; H1287-F1290 PolarHBondContact O-N 3.25Å; F1290-R1292 VanDerWaalsContact C-N 3.27Å; F1290-R1292 PolarHBondContact O-N 3Å; F1290-H1293 PolarHBondContact O-N 3.01Å; F1290-H1294 AromaticContact CD1-CD2 4Å; F1290-H1294 PolarHBondContact O-N 3.3Å |
| 1291 | T | 35.5 | Very low | 34.2 | Very low | 76 Ų | 76 | 107.5 Ų | 107.5 | 47% | 0.466 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.2 | -39.6 | 173.3 | 45.2 | 0 | 0 | 0 | 0 | 112.1 | H1287 L1288 H1293 H1294 | H1287-T1291 WeakPolarHBondContact O-CG2 3.42Å; H1287-T1291 PolarHBondContact O-N 3.2Å; H1287-T1291 PolarHBondContact O-OG1 3.06Å; L1288-T1291 PolarHBondContact O-OG1 2.92Å; T1291-H1293 PolarHBondContact O-N 2.9Å; T1291-H1294 PolarHBondContact O-N 2.93Å |
| 1292 | R | 32.8 | Very low | 34.3 | Very low | 202 Ų | 202 | 102.8 Ų | 102.8 | 76% | 0.762 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -69.9 | -17.8 | 177.4 | -155.2 | 170.8 | -170 | 167.7 | 1.7 | 113.8 | L1288 L1289 F1290 | L1288-R1292 WeakPolarHBondContact O-CB 3.45Å; L1289-R1292 PolarHBondContact O-N 3.27Å; F1290-R1292 VanDerWaalsContact C-N 3.27Å; F1290-R1292 PolarHBondContact O-N 3Å |
| 1293 | H | 29.7 | Very low | 34.1 | Very low | 137 Ų | 137 | 100.4 Ų | 100.4 | 63% | 0.634 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -94.3 | -31 | 173.1 | -143.9 | 31.1 | 0 | 0 | 0 | 112.2 | L1289 F1290 T1291 Y1295 N1296 K1297 | L1289-H1293 PolarHBondContact O-N 3.49Å; F1290-H1293 PolarHBondContact O-N 3.01Å; T1291-H1293 PolarHBondContact O-N 2.9Å; H1293-Y1295 PolarHBondContact O-N 2.77Å; H1293-N1296 PolarHBondContact O-N 3.23Å; H1293-K1297 PolarHBondContact O-N 3.16Å |
| 1294 | H | 36.8 | Very low | 34 | Very low | 30 Ų | 30 | 103.5 Ų | 103.5 | 14% | 0.139 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -64.5 | -37.6 | -179.1 | -110.3 | -109.7 | 0 | 0 | 0 | 114.5 | F1290 T1291 N1296 K1297 Q1298 E1348 | F1290-H1294 AromaticContact CD1-CD2 4Å; F1290-H1294 PolarHBondContact O-N 3.3Å; T1291-H1294 PolarHBondContact O-N 2.93Å; H1294-N1296 PolarHBondContact O-N 2.76Å; H1294-N1296 VanDerWaalsContact O-N 3.16Å; H1294-K1297 CarbonylContact O-C 3.52Å; H1294-K1297 WeakPolarHBondContact O-CA 3.38Å; H1294-K1297 PolarHBondContact O-N 3.08Å; H1294-Q1298 PolarHBondContact O-N 3.45Å; H1294-E1348 IonicContact CE1-OE1 2.85Å; H1294-E1348 PolarHBondContact CE1-OE1 3.46Å; H1294-E1348 VanDerWaalsContact CE1-OE1 3.23Å |
| 1295 | Y | 35.5 | Very low | 34.1 | Very low | 136 Ų | 136 | 100.1 Ų | 100.1 | 53% | 0.533 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.6 | -29.7 | 178.5 | -160.5 | -97.3 | 0 | 0 | 0 | 113.4 | H1293 | H1293-Y1295 PolarHBondContact O-N 2.77Å |
| 1296 | N | 31.4 | Very low | 33.9 | Very low | 79 Ų | 79 | 100.8 Ų | 100.8 | 42% | 0.422 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -88 | -10.9 | 173.9 | -72.4 | -9 | 0 | 0 | 0 | 113.1 | H1293 H1294 M1689 | H1293-N1296 PolarHBondContact O-N 3.23Å; H1294-N1296 PolarHBondContact O-N 2.76Å; H1294-N1296 VanDerWaalsContact O-N 3.16Å; N1296-M1689 HydrophobicContact CB-CE 3.97Å |
| 1297 | K | 33.1 | Very low | 33.6 | Very low | 99 Ų | 99 | 97.8 Ų | 97.8 | 43% | 0.43 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -101.9 | -36 | -174.3 | -158.5 | -178.7 | 179.2 | -164.5 | 0 | 113 | H1293 H1294 Q1299 S1300 I1301 | H1293-K1297 PolarHBondContact O-N 3.16Å; H1294-K1297 CarbonylContact O-C 3.52Å; H1294-K1297 WeakPolarHBondContact O-CA 3.38Å; H1294-K1297 PolarHBondContact O-N 3.08Å; K1297-Q1299 VanDerWaalsContact C-N 3.28Å; K1297-Q1299 PolarHBondContact O-N 2.79Å; K1297-S1300 CarbonylContact O-C 3.59Å; K1297-S1300 WeakPolarHBondContact O-CA 3.38Å; K1297-S1300 WeakPolarHBondContact O-CB 3.34Å; K1297-S1300 PolarHBondContact O-N 3.44Å; K1297-S1300 PolarHBondContact O-OG 3.44Å; K1297-I1301 HydrophobicContact CG-CD1 4.41Å; K1297-I1301 WeakPolarHBondContact O-CG1 3.33Å; K1297-I1301 PolarHBondContact O-N 2.92Å |
| 1298 | Q | 35.3 | Very low | 33.5 | Very low | 65 Ų | 65 | 97 Ų | 97 | 30% | 0.304 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -57.1 | -42.2 | 170.8 | -80.6 | 165.1 | -55 | 0 | 0 | 111.4 | H1294 S1300 I1301 H1302 | H1294-Q1298 PolarHBondContact O-N 3.45Å; Q1298-S1300 PolarHBondContact O-N 3.07Å; Q1298-I1301 PolarHBondContact O-N 3.47Å; Q1298-I1301 VanDerWaalsContact O-N 3.14Å; Q1298-H1302 PolarHBondContact O-N 3.17Å |
| 1299 | Q | 34.1 | Very low | 33.1 | Very low | 48 Ų | 48 | 94.7 Ų | 94.7 | 22% | 0.224 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -58.2 | -31.8 | 171.7 | -65.2 | -177.3 | 26.6 | 0 | 0 | 112.8 | K1297 Y1685 | K1297-Q1299 VanDerWaalsContact C-N 3.28Å; K1297-Q1299 PolarHBondContact O-N 2.79Å; Q1299-Y1685 HydrophobicContact CB-CE1 4.39Å |
| 1300 | S | 30.2 | Very low | 32.7 | Very low | 57 Ų | 57 | 97 Ų | 97 | 40% | 0.399 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -79.4 | -30.1 | 176.7 | 79.9 | 0 | 0 | 0 | 0 | 113.8 | K1297 Q1298 K1304 | K1297-S1300 CarbonylContact O-C 3.59Å; K1297-S1300 WeakPolarHBondContact O-CA 3.38Å; K1297-S1300 WeakPolarHBondContact O-CB 3.34Å; K1297-S1300 PolarHBondContact O-N 3.44Å; K1297-S1300 PolarHBondContact O-OG 3.44Å; Q1298-S1300 PolarHBondContact O-N 3.07Å; S1300-K1304 VanDerWaalsContact O-CB 3.3Å; S1300-K1304 WeakPolarHBondContact O-CB 3.23Å; S1300-K1304 PolarHBondContact O-N 2.97Å |
| 1301 | I | 35.3 | Very low | 32.2 | Very low | 70 Ų | 70 | 98.9 Ų | 98.9 | 36% | 0.359 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -73.9 | -47.4 | -177.6 | -68.6 | 164 | 0 | 0 | 0 | 110.1 | K1297 Q1298 Y1303 K1304 | K1297-I1301 HydrophobicContact CG-CD1 4.41Å; K1297-I1301 WeakPolarHBondContact O-CG1 3.33Å; K1297-I1301 PolarHBondContact O-N 2.92Å; Q1298-I1301 PolarHBondContact O-N 3.47Å; Q1298-I1301 VanDerWaalsContact O-N 3.14Å; I1301-Y1303 PolarHBondContact O-N 2.78Å; I1301-K1304 PolarHBondContact O-N 3.08Å |
| 1302 | H | 35.5 | Very low | 31.9 | Very low | 72 Ų | 72 | 103.2 Ų | 103.2 | 33% | 0.333 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.8 | -32 | 179.3 | -138.1 | -42.5 | 0 | 0 | 0 | 112.4 | Q1298 Y1515 | Q1298-H1302 PolarHBondContact O-N 3.17Å; H1302-Y1515 PolarHBondContact CD2-OH 3.22Å |
| 1303 | Y | 31.8 | Very low | 31.7 | Very low | 54 Ų | 54 | 99.2 Ų | 99.2 | 21% | 0.212 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -83.7 | -31.3 | 177.2 | -123 | -111.9 | 0 | 0 | 0 | 113.5 | I1301 R1305 Y1306 N1307 L1680 Y1685 | I1301-Y1303 PolarHBondContact O-N 2.78Å; Y1303-R1305 PolarHBondContact O-N 3.05Å; Y1303-Y1306 PolarHBondContact O-N 2.94Å; Y1303-N1307 PolarHBondContact O-N 3.31Å; Y1303-L1680 PolarHBondContact OH-O 2.89Å; Y1303-Y1685 HydrophobicContact CD2-CE2 4.02Å; Y1303-Y1685 HydrophobicContact CE1-CD2 4.11Å; Y1303-Y1685 HydrophobicContact CE1-CE2 4.28Å; Y1303-Y1685 HydrophobicContact CE2-CD2 4.17Å; Y1303-Y1685 AromaticContact CE2-CE2 3.51Å; Y1303-Y1685 HydrophobicContact CE2-CE2 3.51Å; Y1303-Y1685 AromaticContact CZ-CD2 3.88Å; Y1303-Y1685 AromaticContact CZ-CE2 3.65Å |
| 1304 | K | 31.5 | Very low | 31.7 | Very low | 163 Ų | 163 | 97.7 Ų | 97.7 | 71% | 0.709 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.6 | -23.1 | 175.9 | -108.4 | -167.9 | 171.3 | -168.6 | 0 | 113.4 | S1300 I1301 Y1306 | S1300-K1304 VanDerWaalsContact O-CB 3.3Å; S1300-K1304 WeakPolarHBondContact O-CB 3.23Å; S1300-K1304 PolarHBondContact O-N 2.97Å; I1301-K1304 PolarHBondContact O-N 3.08Å; K1304-Y1306 VanDerWaalsContact C-N 3.31Å |
| 1305 | R | 36.2 | Very low | 31.4 | Very low | 88 Ų | 88 | 103.8 Ų | 103.8 | 33% | 0.332 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -8.1 | 177 | -141.4 | 168.6 | -165.9 | 136.6 | 8.8 | 114 | Y1303 P1318 I1319 M1349 | Y1303-R1305 PolarHBondContact O-N 3.05Å; R1305-P1318 HydrophobicContact CG-CB 4.41Å; R1305-P1318 HydrophobicContact CG-CG 3.61Å; R1305-I1319 PolarHBondContact NH2-O 3.44Å; R1305-M1349 PolarHBondContact NH1-O 3.47Å; R1305-M1349 VanDerWaalsContact NH1-O 3.09Å |
| 1306 | Y | 31.9 | Very low | 31.6 | Very low | 147 Ų | 147 | 104.1 Ų | 104.1 | 58% | 0.576 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118 | -33.8 | 177 | -100 | -92.5 | 0 | 0 | 0 | 114 | Y1303 K1304 T1308 T1309 | Y1303-Y1306 PolarHBondContact O-N 2.94Å; K1304-Y1306 VanDerWaalsContact C-N 3.31Å; Y1306-T1308 VanDerWaalsContact C-N 3.27Å; Y1306-T1308 PolarHBondContact O-N 3.45Å; Y1306-T1309 WeakPolarHBondContact O-CG2 3.15Å; Y1306-T1309 PolarHBondContact O-OG1 3.46Å |
| 1307 | N | 26.4 | Very low | 32.5 | Very low | 90 Ų | 90 | 106.4 Ų | 106.4 | 48% | 0.481 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -78.9 | 4.7 | -175.1 | -88.9 | 18.4 | 0 | 0 | 0 | 115.8 | Y1303 T1309 | Y1303-N1307 PolarHBondContact O-N 3.31Å; N1307-T1309 PolarHBondContact O-N 3Å |
| 1308 | T | 33.1 | Very low | 33.8 | Very low | 90 Ų | 90 | 104.3 Ų | 104.3 | 55% | 0.552 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | 32.7 | 169.3 | 51.5 | 0 | 0 | 0 | 0 | 112.7 | Y1306 | Y1306-T1308 VanDerWaalsContact C-N 3.27Å; Y1306-T1308 PolarHBondContact O-N 3.45Å |
| 1309 | T | 28.1 | Very low | 35.6 | Very low | 74 Ų | 74 | 105.7 Ų | 105.7 | 45% | 0.454 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.5 | -8.8 | -175.5 | 44.6 | 0 | 0 | 0 | 0 | 114.3 | Y1306 N1307 | Y1306-T1309 WeakPolarHBondContact O-CG2 3.15Å; Y1306-T1309 PolarHBondContact O-OG1 3.46Å; N1307-T1309 PolarHBondContact O-N 3Å |
| 1310 | N | 24.8 | Very low | 37.9 | Very low | 144 Ų | 144 | 104.7 Ų | 104.7 | 77% | 0.77 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -137.2 | 69.7 | 179.9 | -91.2 | -46.5 | 0 | 0 | 0 | 112.3 | ||
| 1311 | N | 27.3 | Very low | 40.7 | Very low | 156 Ų | 156 | 102.6 Ų | 102.6 | 83% | 0.834 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -158.3 | 77.8 | 160.5 | -105 | -27.3 | 0 | 0 | 0 | 110.4 | S1313 | N1311-S1313 PolarHBondContact O-N 2.84Š|
| 1312 | N | 28.2 | Very low | 43.4 | Very low | 167 Ų | 167 | 99.3 Ų | 99.3 | 89% | 0.893 | 53% | 0.528 | S | S | * | . | S | Bend | trans | 31.9 | 60 | 160.5 | -63.2 | -0.7 | 0 | 0 | 0 | 117.5 | ||
| 1313 | S | 29 | Very low | 46.2 | Very low | 118 Ų | 118 | 96 Ų | 96 | 83% | 0.825 | 51% | 0.512 | S | S | * | . | trans | -155.1 | 139.6 | 161.1 | -76.2 | 0 | 0 | 0 | 0 | 109.1 | N1311 | N1311-S1313 PolarHBondContact O-N 2.84Š| ||
| 1314 | S | 29.8 | Very low | 49.2 | Very low | 105 Ų | 105 | 93.4 Ų | 93.4 | 73% | 0.734 | 50% | 0.502 | S | S | * | . | trans | -75.5 | 138.1 | -171.9 | 51.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1315 | N | 31.2 | Very low | 52.2 | Low | 158 Ų | 158 | 85.6 Ų | 85.6 | 85% | 0.845 | 47% | 0.469 | S | S | * | . | trans | 41.3 | 79.9 | 158.5 | -66.4 | -1.2 | 0 | 0 | 0 | 117.1 | ||||
| 1316 | N | 40.1 | Very low | 54.7 | Low | 143 Ų | 143 | 82.7 Ų | 82.7 | 77% | 0.765 | 46% | 0.459 | S | S | * | . | trans | -151.3 | 91.1 | 156.1 | -97.2 | -49.8 | 0 | 0 | 0 | 111.4 | ||||
| 1317 | N | 49.3 | Very low | 57.2 | Low | 126 Ų | 126 | 76 Ų | 76 | 67% | 0.674 | 44% | 0.435 | S | S | * | . | trans | -68.9 | 140.4 | 164.5 | -76.4 | -15.2 | 0 | 0 | 0 | 109.1 | I1319 | N1317-I1319 PolarHBondContact O-N 3.18Š| ||
| 1318 | P | 60.5 | Low | 60.1 | Low | 56 Ų | 56 | 75.4 Ų | 75.4 | 36% | 0.364 | 43% | 0.43 | S | S | . | . | trans | -66.5 | 106.1 | -178.2 | 26.3 | -34.4 | 0 | 0 | 0 | 111 | R1305 | R1305-P1318 HydrophobicContact CG-CB 4.41Å; R1305-P1318 HydrophobicContact CG-CG 3.61Å | ||
| 1319 | I | 73.6 | Confident | 63 | Low | 94 Ų | 94 | 71.1 Ų | 71.1 | 48% | 0.482 | 40% | 0.403 | S | S | . | . | trans | -44.5 | 128.6 | -175.2 | -58 | 172.9 | 0 | 0 | 0 | 110.4 | K1155 R1305 N1317 | K1155-I1319 HydrophobicContact CB-CG2 4.02Å; R1305-I1319 PolarHBondContact NH2-O 3.44Å; N1317-I1319 PolarHBondContact O-N 3.18Å | ||
| 1320 | P | 82.8 | Confident | 66 | Low | 27 Ų | 27 | 67.6 Ų | 67.6 | 18% | 0.175 | 38% | 0.382 | C | S | . | . | trans | -67.4 | 142.1 | 175.8 | 26.2 | -30.3 | 0 | 0 | 0 | 110.4 | Q1153 H1154 K1155 T1351 | Q1153-P1320 HydrophobicContact CB-CG 4.2Å; Q1153-P1320 WeakPolarHBondContact O-CD 3.48Å; Q1153-P1320 WeakPolarHBondContact O-CG 3.47Å; H1154-P1320 CarbonylContact C-O 3.59Å; H1154-P1320 WeakPolarHBondContact CA-O 3.41Å; K1155-P1320 PolarHBondContact N-O 3.49Å; P1320-T1351 HydrophobicContact CB-CG2 4.33Å | ||
| 1321 | L | 89.4 | Confident | 69 | Low | 13 Ų | 13 | 64.4 Ų | 64.4 | 7% | 0.068 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 126 | -172.2 | -68.4 | -177.9 | 0 | 0 | 0 | 109.4 | K1155 M1157 I1178 F1183 M1349 C1350 T1351 | K1155-L1321 HydrophobicContact CB-CD2 4.07Å; M1157-L1321 HydrophobicContact CE-CB 4.13Å; M1157-L1321 HydrophobicContact CE-CD1 4.38Å; I1178-L1321 HydrophobicContact CD1-CD1 3.98Å; I1178-L1321 HydrophobicContact CG1-CD1 3.97Å; I1178-L1321 HydrophobicContact CG2-CD1 4.38Å; F1183-L1321 HydrophobicContact CE2-CD1 4.34Å; F1183-L1321 HydrophobicContact CE2-CD2 3.85Å; F1183-L1321 HydrophobicContact CZ-CD1 4.26Å; F1183-L1321 HydrophobicContact CZ-CD2 3.69Å; L1321-M1349 HydrophobicContact CD1-CB 4.5Å; L1321-C1350 CarbonylContact O-C 3.41Å; L1321-C1350 WeakPolarHBondContact O-CA 3.49Å; L1321-T1351 PolarHBondContact O-N 3.29Å; L1321-T1351 PolarHBondContact O-OG1 3.48Å; L1321-T1351 VanDerWaalsContact O-OG1 3.11Å |
| 1322 | A | 90.9 | Very high | 72.1 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.008 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 142.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110 | I1150 H1154 K1155 V1156 M1157 N1352 | I1150-A1322 HydrophobicContact CD1-CB 3.99Å; I1150-A1322 HydrophobicContact CG1-CB 4.01Å; H1154-A1322 HydrophobicContact CB-CB 4.2Å; K1155-A1322 PolarHBondContact O-N 3.21Å; V1156-A1322 WeakPolarHBondContact CA-O 3.4Å; V1156-A1322 HydrophobicContact CG1-CB 4.48Å; V1156-A1322 HydrophobicContact CG2-CB 4.31Å; M1157-A1322 PolarHBondContact N-O 2.88Å; A1322-N1352 WeakPolarHBondContact CA-O 3.39Å |
| 1323 | L | 94.3 | Very high | 75.1 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 131.2 | 176.6 | -177.9 | 63.5 | 0 | 0 | 0 | 110.6 | M1157 I1159 F1343 L1346 N1352 I1353 I1354 | M1157-L1323 HydrophobicContact CB-CD1 3.96Å; I1159-L1323 HydrophobicContact CD1-CD1 3.85Å; I1159-L1323 HydrophobicContact CG1-CD1 3.99Å; L1323-F1343 HydrophobicContact CD2-CD2 4.37Å; L1323-F1343 HydrophobicContact CD2-CE2 3.85Å; L1323-L1346 HydrophobicContact CD1-CD2 4.12Å; L1323-L1346 HydrophobicContact CD2-CD2 3.89Å; L1323-L1346 HydrophobicContact CD2-CG 4.22Å; L1323-N1352 PolarHBondContact N-O 3.32Å; L1323-I1353 HydrophobicContact CB-CG1 4.22Å; L1323-I1353 HydrophobicContact CB-CG2 4.25Å; L1323-I1353 HydrophobicContact CD2-CD1 4.37Å; L1323-I1353 HydrophobicContact CD2-CG2 4.45Å; L1323-I1353 HydrophobicContact CG-CG2 4.47Å; L1323-I1353 CarbonylContact O-C 3.56Å; L1323-I1353 WeakPolarHBondContact O-CA 3.02Å; L1323-I1354 PolarHBondContact O-N 3Å |
| 1324 | V | 94.5 | Very high | 78 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 132 | 174.2 | -176.8 | 0 | 0 | 0 | 0 | 107.8 | Q1137 V1141 V1156 M1157 Y1158 I1159 I1354 | Q1137-V1324 HydrophobicContact CG-CG1 3.75Å; V1141-V1324 HydrophobicContact CG2-CG1 4.02Å; V1141-V1324 HydrophobicContact CG2-CG2 3.81Å; V1156-V1324 HydrophobicContact CG1-CG2 3.56Å; M1157-V1324 PolarHBondContact O-N 2.74Å; Y1158-V1324 WeakPolarHBondContact CA-O 3.39Å; Y1158-V1324 HydrophobicContact CD1-CB 3.69Å; Y1158-V1324 HydrophobicContact CD1-CG1 3.82Å; Y1158-V1324 HydrophobicContact CD1-CG2 4.26Å; Y1158-V1324 HydrophobicContact CE1-CB 3.87Å; Y1158-V1324 HydrophobicContact CE1-CG1 3.91Å; Y1158-V1324 HydrophobicContact CE1-CG2 3.96Å; Y1158-V1324 HydrophobicContact CG-CB 4.44Å; I1159-V1324 PolarHBondContact N-O 3.18Å; V1324-I1354 WeakPolarHBondContact CA-O 3.26Å; V1324-I1354 HydrophobicContact CG2-CB 4.43Å; V1324-I1354 HydrophobicContact CG2-CD1 4.35Å |
| 1325 | I | 94.4 | Very high | 80.8 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 138.4 | -178 | -175 | 167.1 | 0 | 0 | 0 | 111.1 | I1159 L1330 I1333 F1343 I1354 C1355 C1356 | I1159-I1325 HydrophobicContact CB-CB 4.39Å; I1159-I1325 HydrophobicContact CB-CD1 4.31Å; I1159-I1325 HydrophobicContact CB-CG1 4.11Å; I1159-I1325 HydrophobicContact CG2-CD1 4.23Å; I1159-I1325 HydrophobicContact CG2-CG1 4.33Å; I1325-L1330 HydrophobicContact CD1-CB 4.23Å; I1325-L1330 HydrophobicContact CD1-CD1 4.43Å; I1325-L1330 HydrophobicContact CG1-CB 4.39Å; I1325-I1333 HydrophobicContact CD1-CD1 3.47Å; I1325-I1333 VanDerWaalsContact CD1-CD1 3.47Å; I1325-F1343 HydrophobicContact CD1-CE2 4.14Å; I1325-F1343 HydrophobicContact CD1-CZ 4.47Å; I1325-I1354 PolarHBondContact N-O 2.93Å; I1325-C1355 HydrophobicContact CG2-CB 4.18Å; I1325-C1355 VanDerWaalsContact CG2-SG 3.5Å; I1325-C1355 WeakPolarHBondContact O-CA 3.06Å; I1325-C1356 PolarHBondContact O-N 3.3Å |
| 1326 | D | 90.3 | Very high | 83.5 | Confident | 26 Ų | 26 | 42 Ų | 42 | 14% | 0.139 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 154 | 173.9 | 64.7 | 19.9 | 0 | 0 | 0 | 113.1 | I1159 N1160 E1328 S1329 L1330 C1356 | I1159-D1326 PolarHBondContact O-N 3.49Å; N1160-D1326 VanDerWaalsContact CA-OD2 3.23Å; N1160-D1326 WeakPolarHBondContact CA-OD2 3.33Å; N1160-D1326 WeakPolarHBondContact CB-OD2 3.29Å; D1326-E1328 PolarHBondContact O-N 2.84Å; D1326-E1328 VanDerWaalsContact O-N 3.14Å; D1326-S1329 PolarHBondContact O-N 3.43Å; D1326-S1329 WeakPolarHBondContact OD1-CA 3.23Å; D1326-S1329 WeakPolarHBondContact OD1-CB 3.46Å; D1326-S1329 PolarHBondContact OD1-N 3.01Å; D1326-S1329 PolarHBondContact OD1-OG 3.02Å; D1326-L1330 WeakPolarHBondContact O-CB 3.31Å; D1326-L1330 PolarHBondContact O-N 2.86Å; D1326-C1356 CarbonylContact C-O 3.56Å |
| 1327 | G | 84.2 | Confident | 85.8 | Confident | 7 Ų | 7 | 41.2 Ų | 41.2 | 7% | 0.072 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.3 | -21.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | N1331 C1356 Q1362 | G1327-N1331 PolarHBondContact O-N 3.24Å; G1327-C1356 PolarHBondContact N-O 3.34Å; G1327-Q1362 PolarHBondContact O-NE2 2.92Å |
| 1328 | E | 87.5 | Confident | 87.7 | Confident | 77 Ų | 77 | 42.8 Ų | 42.8 | 36% | 0.36 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -76.3 | -51.5 | 175.5 | -161.2 | -176.6 | 169.5 | 0 | 0 | 111.1 | H1162 D1326 L1330 N1331 Y1332 | H1162-E1328 WeakPolarHBondContact CA-OE1 2.91Å; H1162-E1328 IonicContact CE1-OE2 2.96Å; H1162-E1328 IonicContact CG-OE2 3.45Å; H1162-E1328 IonicContact ND1-OE1 3.46Å; H1162-E1328 IonicContact ND1-OE2 3.79Å; H1162-E1328 PolarHBondContact ND1-OE2 3.07Å; D1326-E1328 PolarHBondContact O-N 2.84Å; D1326-E1328 VanDerWaalsContact O-N 3.14Å; E1328-L1330 VanDerWaalsContact C-N 3.29Å; E1328-L1330 PolarHBondContact O-N 2.98Å; E1328-N1331 VanDerWaalsContact O-CB 3.27Å; E1328-N1331 WeakPolarHBondContact O-CB 3.29Å; E1328-N1331 PolarHBondContact O-N 2.95Å; E1328-Y1332 HydrophobicContact CG-CE2 3.85Å; E1328-Y1332 WeakPolarHBondContact O-CD2 3.49Å; E1328-Y1332 PolarHBondContact O-N 2.97Å; E1328-Y1332 PolarHBondContact OE1-OH 2.94Å |
| 1329 | S | 92.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.3 | -42.6 | 173.1 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | I1159 S1161 D1326 N1331 Y1332 I1333 | I1159-S1329 WeakPolarHBondContact O-CB 3.48Å; I1159-S1329 PolarHBondContact O-OG 3.38Å; S1161-S1329 WeakPolarHBondContact CB-OG 3.25Å; S1161-S1329 PolarHBondContact N-OG 3.47Å; D1326-S1329 PolarHBondContact O-N 3.43Å; D1326-S1329 WeakPolarHBondContact OD1-CA 3.23Å; D1326-S1329 WeakPolarHBondContact OD1-CB 3.46Å; D1326-S1329 PolarHBondContact OD1-N 3.01Å; D1326-S1329 PolarHBondContact OD1-OG 3.02Å; S1329-N1331 PolarHBondContact O-N 3.05Å; S1329-Y1332 PolarHBondContact O-N 2.93Å; S1329-Y1332 VanDerWaalsContact O-N 3.1Å; S1329-I1333 WeakPolarHBondContact O-CG1 3.49Å; S1329-I1333 PolarHBondContact O-N 3.01Å |
| 1330 | L | 91.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59 | -36.9 | 176.8 | -175.9 | 59.2 | 0 | 0 | 0 | 111.7 | I1325 D1326 E1328 I1333 L1334 F1343 C1355 Q1362 V1366 | I1325-L1330 HydrophobicContact CD1-CB 4.23Å; I1325-L1330 HydrophobicContact CD1-CD1 4.43Å; I1325-L1330 HydrophobicContact CG1-CB 4.39Å; D1326-L1330 WeakPolarHBondContact O-CB 3.31Å; D1326-L1330 PolarHBondContact O-N 2.86Å; E1328-L1330 VanDerWaalsContact C-N 3.29Å; E1328-L1330 PolarHBondContact O-N 2.98Å; L1330-I1333 PolarHBondContact O-N 2.85Å; L1330-L1334 HydrophobicContact CD1-CD1 4.07Å; L1330-L1334 HydrophobicContact CD1-CG 4.11Å; L1330-L1334 HydrophobicContact CG-CD1 3.86Å; L1330-L1334 HydrophobicContact CG-CG 4.34Å; L1330-L1334 WeakPolarHBondContact O-CB 3.39Å; L1330-L1334 VanDerWaalsContact O-CG 3.3Å; L1330-L1334 WeakPolarHBondContact O-CG 3.5Å; L1330-L1334 PolarHBondContact O-N 3.43Å; L1330-F1343 HydrophobicContact CD1-CE1 4.11Å; L1330-F1343 HydrophobicContact CD1-CZ 4.2Å; L1330-C1355 HydrophobicContact CD2-CB 4.32Å; L1330-Q1362 HydrophobicContact CD2-CB 4.14Å; L1330-V1366 HydrophobicContact CD1-CG2 3.82Å; L1330-V1366 HydrophobicContact CD2-CG2 3.83Å; L1330-V1366 HydrophobicContact CG-CG2 4.33Å |
| 1331 | N | 88.2 | Confident | 90.1 | Very high | 77 Ų | 77 | 40.8 Ų | 40.8 | 41% | 0.412 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.4 | -41.9 | 174.8 | -159.4 | 24.9 | 0 | 0 | 0 | 112.2 | G1327 E1328 S1329 I1333 L1334 N1335 | G1327-N1331 PolarHBondContact O-N 3.24Å; E1328-N1331 VanDerWaalsContact O-CB 3.27Å; E1328-N1331 WeakPolarHBondContact O-CB 3.29Å; E1328-N1331 PolarHBondContact O-N 2.95Å; S1329-N1331 PolarHBondContact O-N 3.05Å; N1331-I1333 VanDerWaalsContact C-N 3.29Å; N1331-I1333 PolarHBondContact O-N 2.89Å; N1331-L1334 PolarHBondContact O-N 3.2Å; N1331-N1335 PolarHBondContact O-N 3.44Å; N1331-N1335 VanDerWaalsContact O-N 3.15Å; N1331-N1335 PolarHBondContact O-ND2 2.92Å; N1331-N1335 PolarHBondContact OD1-ND2 3.36Å |
| 1332 | Y | 91.4 | Very high | 90.1 | Very high | 66 Ų | 66 | 41.3 Ų | 41.3 | 26% | 0.259 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -68.9 | -24.5 | 175.3 | -60.8 | -50 | 0 | 0 | 0 | 113.5 | S1161 E1164 E1328 S1329 | S1161-Y1332 WeakPolarHBondContact O-CE2 3.3Å; E1164-Y1332 HydrophobicContact CB-CD1 3.94Å; E1164-Y1332 HydrophobicContact CB-CG 4.06Å; E1328-Y1332 HydrophobicContact CG-CE2 3.85Å; E1328-Y1332 WeakPolarHBondContact O-CD2 3.49Å; E1328-Y1332 PolarHBondContact O-N 2.97Å; E1328-Y1332 PolarHBondContact OE1-OH 2.94Å; S1329-Y1332 PolarHBondContact O-N 2.93Å; S1329-Y1332 VanDerWaalsContact O-N 3.1Å |
| 1333 | I | 92.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -76.6 | -51.4 | 172 | -66.2 | -177.3 | 0 | 0 | 0 | 110.9 | T1167 L1171 I1325 S1329 L1330 N1331 N1335 N1336 K1340 F1343 | T1167-I1333 HydrophobicContact CG2-CD1 4.15Å; T1167-I1333 HydrophobicContact CG2-CG1 3.76Å; L1171-I1333 HydrophobicContact CD1-CD1 3.97Å; L1171-I1333 HydrophobicContact CD1-CG1 4.02Å; L1171-I1333 HydrophobicContact CD2-CD1 4.15Å; L1171-I1333 HydrophobicContact CG-CD1 4.37Å; I1325-I1333 HydrophobicContact CD1-CD1 3.47Å; I1325-I1333 VanDerWaalsContact CD1-CD1 3.47Å; S1329-I1333 WeakPolarHBondContact O-CG1 3.49Å; S1329-I1333 PolarHBondContact O-N 3.01Å; L1330-I1333 PolarHBondContact O-N 2.85Å; N1331-I1333 VanDerWaalsContact C-N 3.29Å; N1331-I1333 PolarHBondContact O-N 2.89Å; I1333-N1335 VanDerWaalsContact C-N 3.33Å; I1333-N1335 PolarHBondContact O-N 3.1Å; I1333-N1336 PolarHBondContact O-N 2.75Å; I1333-N1336 VanDerWaalsContact O-O 3.11Å; I1333-K1340 PolarHBondContact O-N 3.08Å; I1333-F1343 HydrophobicContact CD1-CB 4.18Å; I1333-F1343 HydrophobicContact CD1-CD2 3.8Å; I1333-F1343 HydrophobicContact CD1-CE2 4.25Å; I1333-F1343 HydrophobicContact CD1-CG 3.96Å; I1333-F1343 HydrophobicContact CG2-CB 3.54Å; I1333-F1343 HydrophobicContact CG2-CD1 3.59Å; I1333-F1343 HydrophobicContact CG2-CE1 4.37Å; I1333-F1343 HydrophobicContact CG2-CG 3.68Å |
| 1334 | L | 88.7 | Confident | 90 | Very high | 37 Ų | 37 | 42.1 Ų | 42.1 | 19% | 0.194 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.6 | -30.8 | -173.6 | -70.1 | 171.5 | 0 | 0 | 0 | 113.3 | L1330 N1331 Q1362 A1365 L1369 | L1330-L1334 HydrophobicContact CD1-CD1 4.07Å; L1330-L1334 HydrophobicContact CD1-CG 4.11Å; L1330-L1334 HydrophobicContact CG-CD1 3.86Å; L1330-L1334 HydrophobicContact CG-CG 4.34Å; L1330-L1334 WeakPolarHBondContact O-CB 3.39Å; L1330-L1334 VanDerWaalsContact O-CG 3.3Å; L1330-L1334 WeakPolarHBondContact O-CG 3.5Å; L1330-L1334 PolarHBondContact O-N 3.43Å; N1331-L1334 PolarHBondContact O-N 3.2Å; L1334-Q1362 HydrophobicContact CD1-CG 4.41Å; L1334-A1365 HydrophobicContact CD1-CB 3.81Å; L1334-A1365 HydrophobicContact CD2-CB 4.29Å; L1334-L1369 HydrophobicContact CD2-CD2 4.38Å |
| 1335 | N | 88.6 | Confident | 89.7 | Confident | 91 Ų | 91 | 46.2 Ų | 46.2 | 49% | 0.487 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -13.8 | 177.5 | -76.4 | -77.8 | 0 | 0 | 0 | 114.5 | N1331 I1333 | N1331-N1335 PolarHBondContact O-N 3.44Å; N1331-N1335 VanDerWaalsContact O-N 3.15Å; N1331-N1335 PolarHBondContact O-ND2 2.92Å; N1331-N1335 PolarHBondContact OD1-ND2 3.36Å; I1333-N1335 VanDerWaalsContact C-N 3.33Å; I1333-N1335 PolarHBondContact O-N 3.1Å |
| 1336 | N | 89 | Confident | 89.4 | Confident | 41 Ų | 41 | 46.2 Ų | 46.2 | 22% | 0.219 | 21% | 0.214 | C | C | . | . | trans | -122.5 | 107 | -176.9 | -178.5 | -23.3 | 0 | 0 | 0 | 111.3 | E1164 I1333 R1338 N1339 K1340 | E1164-N1336 WeakPolarHBondContact OE1-CB 3.45Å; E1164-N1336 PolarHBondContact OE1-ND2 2.93Å; I1333-N1336 PolarHBondContact O-N 2.75Å; I1333-N1336 VanDerWaalsContact O-O 3.11Å; N1336-R1338 PolarHBondContact O-N 3.25Å; N1336-R1338 VanDerWaalsContact OD1-CB 3.26Å; N1336-R1338 WeakPolarHBondContact OD1-CB 3.34Å; N1336-R1338 PolarHBondContact OD1-N 3.15Å; N1336-N1339 HydrophobicContact CB-CB 4.23Å; N1336-N1339 WeakPolarHBondContact O-CA 3.43Å; N1336-N1339 PolarHBondContact O-N 3.1Å; N1336-K1340 WeakPolarHBondContact O-CB 3.33Å; N1336-K1340 PolarHBondContact O-N 2.69Å | ||
| 1337 | E | 88.1 | Confident | 89.4 | Confident | 125 Ų | 125 | 45.2 Ų | 45.2 | 58% | 0.584 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -50.6 | -31 | 178.7 | -72.8 | -65.2 | 153.6 | 0 | 0 | 114.4 | K1340 F1341 | E1337-K1340 IonicContact OE1-NZ 3.55Å; E1337-K1340 PolarHBondContact OE1-NZ 2.96Å; E1337-K1340 WeakPolarHBondContact OE2-CD 3.42Å; E1337-K1340 IonicContact OE2-NZ 3.55Å; E1337-K1340 PolarHBondContact OE2-NZ 3.25Å; E1337-F1341 WeakPolarHBondContact O-CB 3.46Å; E1337-F1341 PolarHBondContact O-N 3.26Å |
| 1338 | R | 88 | Confident | 89.4 | Confident | 160 Ų | 160 | 47.5 Ų | 47.5 | 60% | 0.604 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -71.4 | -38.7 | 176.1 | -163.2 | -167.7 | -166.7 | -159.9 | 13.4 | 112 | E1168 N1336 K1342 | E1168-R1338 IonicContact OE1-CZ 2.68Å; E1168-R1338 IonicContact OE1-NE 3.44Å; E1168-R1338 IonicContact OE1-NH1 2.68Å; E1168-R1338 PolarHBondContact OE1-NH1 3.07Å; E1168-R1338 IonicContact OE2-NH1 3.53Å; N1336-R1338 PolarHBondContact O-N 3.25Å; N1336-R1338 VanDerWaalsContact OD1-CB 3.26Å; N1336-R1338 WeakPolarHBondContact OD1-CB 3.34Å; N1336-R1338 PolarHBondContact OD1-N 3.15Å; R1338-K1342 WeakPolarHBondContact O-CG 3.38Å; R1338-K1342 PolarHBondContact O-N 3.08Å |
| 1339 | N | 90 | Very high | 89.2 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -75.6 | -41.5 | 176.9 | -70.7 | -21 | 0 | 0 | 0 | 110.6 | E1168 L1171 N1336 F1341 K1342 F1343 | E1168-N1339 WeakPolarHBondContact CB-OD1 3.37Å; E1168-N1339 WeakPolarHBondContact CG-OD1 3.37Å; L1171-N1339 HydrophobicContact CD1-CB 4.02Å; N1336-N1339 HydrophobicContact CB-CB 4.23Å; N1336-N1339 WeakPolarHBondContact O-CA 3.43Å; N1336-N1339 PolarHBondContact O-N 3.1Å; N1339-F1341 PolarHBondContact O-N 3.4Å; N1339-K1342 WeakPolarHBondContact O-CB 3.27Å; N1339-K1342 PolarHBondContact O-N 3.14Å; N1339-K1342 VanDerWaalsContact O-N 3.1Å; N1339-F1343 WeakPolarHBondContact O-CB 3.43Å; N1339-F1343 PolarHBondContact O-N 3.02Å |
| 1340 | K | 89.5 | Confident | 88.9 | Confident | 26 Ų | 26 | 46.6 Ų | 46.6 | 11% | 0.113 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -50.3 | -50.1 | 169.5 | -176.6 | -178.8 | 154.7 | -135.4 | 0 | 112.3 | I1333 N1336 E1337 K1342 F1343 I1344 L1369 E1373 | I1333-K1340 PolarHBondContact O-N 3.08Å; N1336-K1340 WeakPolarHBondContact O-CB 3.33Å; N1336-K1340 PolarHBondContact O-N 2.69Å; E1337-K1340 IonicContact OE1-NZ 3.55Å; E1337-K1340 PolarHBondContact OE1-NZ 2.96Å; E1337-K1340 WeakPolarHBondContact OE2-CD 3.42Å; E1337-K1340 IonicContact OE2-NZ 3.55Å; E1337-K1340 PolarHBondContact OE2-NZ 3.25Å; K1340-K1342 VanDerWaalsContact C-N 3.35Å; K1340-K1342 PolarHBondContact O-N 3.32Å; K1340-F1343 WeakPolarHBondContact O-CB 3.43Å; K1340-F1343 PolarHBondContact O-N 3.41Å; K1340-I1344 HydrophobicContact CG-CD1 4.38Å; K1340-I1344 WeakPolarHBondContact O-CG1 3.34Å; K1340-I1344 PolarHBondContact O-N 2.98Å; K1340-L1369 HydrophobicContact CD-CD1 3.76Å; K1340-L1369 HydrophobicContact CG-CD1 3.43Å; K1340-L1369 VanDerWaalsContact CG-CD1 3.43Å; K1340-E1373 WeakPolarHBondContact CE-OE1 3.32Å; K1340-E1373 IonicContact NZ-OE1 3.23Å; K1340-E1373 PolarHBondContact NZ-OE1 2.78Å |
| 1341 | F | 89.2 | Confident | 88.4 | Confident | 108 Ų | 108 | 47.6 Ų | 47.6 | 47% | 0.474 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.6 | -35.6 | 176.3 | -179.9 | -109.7 | 0 | 0 | 0 | 114.2 | E1337 N1339 K1345 | E1337-F1341 WeakPolarHBondContact O-CB 3.46Å; E1337-F1341 PolarHBondContact O-N 3.26Å; N1339-F1341 PolarHBondContact O-N 3.4Å; F1341-K1345 HydrophobicContact CE1-CD 4.26Å; F1341-K1345 HydrophobicContact CZ-CD 4.38Å; F1341-K1345 PolarHBondContact O-N 3.14Å |
| 1342 | K | 89.8 | Confident | 88.3 | Confident | 24 Ų | 24 | 44.2 Ų | 44.2 | 10% | 0.104 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70.5 | -40.3 | 174.6 | -69.4 | 172.3 | -172.1 | -172 | 0 | 111.9 | E1168 L1171 N1172 L1175 R1338 N1339 K1340 K1345 L1346 | E1168-K1342 IonicContact OE1-NZ 3.19Å; E1168-K1342 PolarHBondContact OE1-NZ 2.86Å; L1171-K1342 HydrophobicContact CB-CB 4.33Å; L1171-K1342 HydrophobicContact CB-CD 4.48Å; L1171-K1342 HydrophobicContact CD1-CB 4.25Å; N1172-K1342 WeakPolarHBondContact OD1-CD 3.36Å; N1172-K1342 WeakPolarHBondContact OD1-CE 3.43Å; N1172-K1342 PolarHBondContact OD1-NZ 3Å; L1175-K1342 HydrophobicContact CD1-CB 3.89Å; L1175-K1342 HydrophobicContact CD1-CG 4.22Å; R1338-K1342 WeakPolarHBondContact O-CG 3.38Å; R1338-K1342 PolarHBondContact O-N 3.08Å; N1339-K1342 WeakPolarHBondContact O-CB 3.27Å; N1339-K1342 PolarHBondContact O-N 3.14Å; N1339-K1342 VanDerWaalsContact O-N 3.1Å; K1340-K1342 VanDerWaalsContact C-N 3.35Å; K1340-K1342 PolarHBondContact O-N 3.32Å; K1342-K1345 PolarHBondContact O-N 3Å; K1342-L1346 PolarHBondContact O-N 3.27Å |
| 1343 | F | 92.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61 | -46.3 | 176.7 | -177.5 | -129 | 0 | 0 | 0 | 110.9 | L1171 L1323 I1325 L1330 I1333 N1339 K1340 K1345 L1346 I1347 L1369 | L1171-F1343 HydrophobicContact CD2-CB 4.24Å; L1171-F1343 HydrophobicContact CD2-CD2 4.34Å; L1323-F1343 HydrophobicContact CD2-CD2 4.37Å; L1323-F1343 HydrophobicContact CD2-CE2 3.85Å; I1325-F1343 HydrophobicContact CD1-CE2 4.14Å; I1325-F1343 HydrophobicContact CD1-CZ 4.47Å; L1330-F1343 HydrophobicContact CD1-CE1 4.11Å; L1330-F1343 HydrophobicContact CD1-CZ 4.2Å; I1333-F1343 HydrophobicContact CD1-CB 4.18Å; I1333-F1343 HydrophobicContact CD1-CD2 3.8Å; I1333-F1343 HydrophobicContact CD1-CE2 4.25Å; I1333-F1343 HydrophobicContact CD1-CG 3.96Å; I1333-F1343 HydrophobicContact CG2-CB 3.54Å; I1333-F1343 HydrophobicContact CG2-CD1 3.59Å; I1333-F1343 HydrophobicContact CG2-CE1 4.37Å; I1333-F1343 HydrophobicContact CG2-CG 3.68Å; N1339-F1343 WeakPolarHBondContact O-CB 3.43Å; N1339-F1343 PolarHBondContact O-N 3.02Å; K1340-F1343 WeakPolarHBondContact O-CB 3.43Å; K1340-F1343 PolarHBondContact O-N 3.41Å; F1343-K1345 VanDerWaalsContact C-N 3.3Å; F1343-K1345 PolarHBondContact O-N 3.4Å; F1343-L1346 WeakPolarHBondContact O-CB 3.23Å; F1343-L1346 PolarHBondContact O-N 2.97Å; F1343-I1347 HydrophobicContact CD1-CD1 3.54Å; F1343-I1347 HydrophobicContact CD2-CD1 4.15Å; F1343-I1347 HydrophobicContact CD2-CG1 4.26Å; F1343-I1347 HydrophobicContact CE1-CD1 3.57Å; F1343-I1347 HydrophobicContact CE1-CG1 4.46Å; F1343-I1347 HydrophobicContact CE2-CD1 4.15Å; F1343-I1347 HydrophobicContact CE2-CG1 4.2Å; F1343-I1347 HydrophobicContact CG-CD1 3.85Å; F1343-I1347 HydrophobicContact CG-CG1 4.42Å; F1343-I1347 HydrophobicContact CZ-CD1 3.88Å; F1343-I1347 HydrophobicContact CZ-CG1 4.3Å; F1343-I1347 WeakPolarHBondContact O-CB 3.39Å; F1343-I1347 WeakPolarHBondContact O-CD1 3.45Å; F1343-I1347 VanDerWaalsContact O-CG1 3.23Å; F1343-I1347 WeakPolarHBondContact O-CG1 3.01Å; F1343-I1347 PolarHBondContact O-N 3.03Å; F1343-L1369 HydrophobicContact CD1-CD2 3.76Å; F1343-L1369 HydrophobicContact CE1-CD2 3.9Å |
| 1344 | I | 90.2 | Very high | 88.5 | Confident | 19 Ų | 19 | 41.3 Ų | 41.3 | 10% | 0.097 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -54.9 | -44.4 | 174 | -63.3 | 159.1 | 0 | 0 | 0 | 111.4 | K1340 L1346 I1347 E1348 L1369 E1373 L1374 | K1340-I1344 HydrophobicContact CG-CD1 4.38Å; K1340-I1344 WeakPolarHBondContact O-CG1 3.34Å; K1340-I1344 PolarHBondContact O-N 2.98Å; I1344-L1346 VanDerWaalsContact C-N 3.33Å; I1344-L1346 PolarHBondContact O-N 3.36Å; I1344-I1347 WeakPolarHBondContact O-CB 3.38Å; I1344-I1347 PolarHBondContact O-N 3.35Å; I1344-E1348 WeakPolarHBondContact O-CG 3.34Å; I1344-E1348 PolarHBondContact O-N 3.28Å; I1344-L1369 HydrophobicContact CD1-CD1 4.06Å; I1344-L1369 HydrophobicContact CG1-CD1 4.25Å; I1344-L1369 HydrophobicContact CG1-CG 4.4Å; I1344-E1373 HydrophobicContact CD1-CB 3.8Å; I1344-E1373 HydrophobicContact CD1-CG 3.73Å; I1344-L1374 HydrophobicContact CG2-CD2 3.76Å; I1344-L1374 HydrophobicContact CG2-CG 4.49Å |
| 1345 | K | 87 | Confident | 88.8 | Confident | 86 Ų | 86 | 39.6 Ų | 39.6 | 37% | 0.374 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -66.7 | -30.5 | 176.5 | -75.8 | -175.5 | 173.3 | -179.3 | 0 | 114.4 | L1175 F1341 K1342 F1343 M1349 | L1175-K1345 HydrophobicContact CD2-CB 3.94Å; F1341-K1345 HydrophobicContact CE1-CD 4.26Å; F1341-K1345 HydrophobicContact CZ-CD 4.38Å; F1341-K1345 PolarHBondContact O-N 3.14Å; K1342-K1345 PolarHBondContact O-N 3Å; F1343-K1345 VanDerWaalsContact C-N 3.3Å; F1343-K1345 PolarHBondContact O-N 3.4Å; K1345-M1349 WeakPolarHBondContact O-CE 3.39Å; K1345-M1349 WeakPolarHBondContact O-CG 3.45Å |
| 1346 | L | 89.6 | Confident | 88.8 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -74.4 | -43.5 | 175.6 | -176.4 | 62.6 | 0 | 0 | 0 | 110.1 | M1157 I1159 L1171 L1175 I1178 L1323 K1342 F1343 I1344 E1348 M1349 C1350 | M1157-L1346 HydrophobicContact CE-CD1 4.21Å; M1157-L1346 HydrophobicContact SD-CD1 4.38Å; I1159-L1346 HydrophobicContact CD1-CD2 3.86Å; L1171-L1346 HydrophobicContact CD2-CD2 3.92Å; L1175-L1346 HydrophobicContact CD2-CB 4.15Å; L1175-L1346 HydrophobicContact CD2-CD1 4.45Å; L1175-L1346 HydrophobicContact CG-CB 4.44Å; I1178-L1346 HydrophobicContact CD1-CD1 3.43Å; I1178-L1346 VanDerWaalsContact CD1-CD1 3.43Å; L1323-L1346 HydrophobicContact CD1-CD2 4.12Å; L1323-L1346 HydrophobicContact CD2-CD2 3.89Å; L1323-L1346 HydrophobicContact CD2-CG 4.22Å; K1342-L1346 PolarHBondContact O-N 3.27Å; F1343-L1346 WeakPolarHBondContact O-CB 3.23Å; F1343-L1346 PolarHBondContact O-N 2.97Å; I1344-L1346 VanDerWaalsContact C-N 3.33Å; I1344-L1346 PolarHBondContact O-N 3.36Å; L1346-E1348 VanDerWaalsContact C-N 3.34Å; L1346-E1348 PolarHBondContact O-N 3.27Å; L1346-M1349 PolarHBondContact O-N 2.9Å; L1346-M1349 VanDerWaalsContact O-N 3.14Å; L1346-C1350 PolarHBondContact O-N 2.92Å; L1346-C1350 PolarHBondContact O-SG 2.92Å; L1346-C1350 VanDerWaalsContact O-SG 3.33Å |
| 1347 | I | 89 | Confident | 88.5 | Confident | 6 Ų | 6 | 40.6 Ų | 40.6 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -50.3 | -51.1 | 172.8 | -74.5 | 161.7 | 0 | 0 | 0 | 111.1 | W1130 F1343 I1344 M1349 C1350 I1353 L1374 | W1130-I1347 HydrophobicContact CH2-CB 4.38Å; W1130-I1347 HydrophobicContact CH2-CD1 4.01Å; W1130-I1347 HydrophobicContact CH2-CG1 4Å; W1130-I1347 HydrophobicContact CH2-CG2 3.47Å; W1130-I1347 VanDerWaalsContact CH2-CG2 3.47Å; W1130-I1347 HydrophobicContact CZ2-CG2 3.45Å; W1130-I1347 VanDerWaalsContact CZ2-CG2 3.45Å; F1343-I1347 HydrophobicContact CD1-CD1 3.54Å; F1343-I1347 HydrophobicContact CD2-CD1 4.15Å; F1343-I1347 HydrophobicContact CD2-CG1 4.26Å; F1343-I1347 HydrophobicContact CE1-CD1 3.57Å; F1343-I1347 HydrophobicContact CE1-CG1 4.46Å; F1343-I1347 HydrophobicContact CE2-CD1 4.15Å; F1343-I1347 HydrophobicContact CE2-CG1 4.2Å; F1343-I1347 HydrophobicContact CG-CD1 3.85Å; F1343-I1347 HydrophobicContact CG-CG1 4.42Å; F1343-I1347 HydrophobicContact CZ-CD1 3.88Å; F1343-I1347 HydrophobicContact CZ-CG1 4.3Å; F1343-I1347 WeakPolarHBondContact O-CB 3.39Å; F1343-I1347 WeakPolarHBondContact O-CD1 3.45Å; F1343-I1347 VanDerWaalsContact O-CG1 3.23Å; F1343-I1347 WeakPolarHBondContact O-CG1 3.01Å; F1343-I1347 PolarHBondContact O-N 3.03Å; I1344-I1347 WeakPolarHBondContact O-CB 3.38Å; I1344-I1347 PolarHBondContact O-N 3.35Å; I1347-M1349 PolarHBondContact O-N 3.29Å; I1347-C1350 PolarHBondContact O-N 3.46Å; I1347-I1353 HydrophobicContact CB-CD1 4.07Å; I1347-I1353 HydrophobicContact CG1-CD1 3.56Å; I1347-I1353 HydrophobicContact CG2-CD1 4.11Å; I1347-L1374 HydrophobicContact CG2-CD1 4.44Å |
| 1348 | E | 84.3 | Confident | 88.3 | Confident | 55 Ų | 55 | 34.9 Ų | 34.9 | 26% | 0.257 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -16.8 | -178.1 | -76.5 | -176.3 | 157.8 | 0 | 0 | 114.8 | H1294 I1344 L1346 L1374 | H1294-E1348 IonicContact CE1-OE1 2.85Å; H1294-E1348 PolarHBondContact CE1-OE1 3.46Å; H1294-E1348 VanDerWaalsContact CE1-OE1 3.23Å; I1344-E1348 WeakPolarHBondContact O-CG 3.34Å; I1344-E1348 PolarHBondContact O-N 3.28Å; L1346-E1348 VanDerWaalsContact C-N 3.34Å; L1346-E1348 PolarHBondContact O-N 3.27Å; E1348-L1374 HydrophobicContact CG-CD2 4.14Å |
| 1349 | M | 83.7 | Confident | 87.9 | Confident | 53 Ų | 53 | 30.8 Ų | 30.8 | 26% | 0.261 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -27.1 | -179.3 | -56.5 | -179.3 | -171.7 | 0 | 0 | 112.3 | L1175 I1178 R1305 L1321 K1345 L1346 I1347 | L1175-M1349 HydrophobicContact CD2-CE 4.41Å; I1178-M1349 HydrophobicContact CB-SD 4.12Å; I1178-M1349 HydrophobicContact CD1-CB 4.44Å; I1178-M1349 HydrophobicContact CD1-SD 4.1Å; I1178-M1349 HydrophobicContact CG2-SD 3.5Å; I1178-M1349 WeakPolarHBondContact CG2-SD 3.47Å; R1305-M1349 PolarHBondContact NH1-O 3.47Å; R1305-M1349 VanDerWaalsContact NH1-O 3.09Å; L1321-M1349 HydrophobicContact CD1-CB 4.5Å; K1345-M1349 WeakPolarHBondContact O-CE 3.39Å; K1345-M1349 WeakPolarHBondContact O-CG 3.45Å; L1346-M1349 PolarHBondContact O-N 2.9Å; L1346-M1349 VanDerWaalsContact O-N 3.14Å; I1347-M1349 PolarHBondContact O-N 3.29Å |
| 1350 | C | 85.8 | Confident | 87.4 | Confident | 4 Ų | 4 | 32.5 Ų | 32.5 | 3% | 0.027 | 15% | 0.154 | C | C | . | . | trans | -72.4 | 147 | 176.9 | -64.1 | 0 | 0 | 0 | 0 | 111.6 | M1157 L1321 L1346 I1347 I1353 | M1157-C1350 VanDerWaalsContact CE-SG 3.53Å; L1321-C1350 CarbonylContact O-C 3.41Å; L1321-C1350 WeakPolarHBondContact O-CA 3.49Å; L1346-C1350 PolarHBondContact O-N 2.92Å; L1346-C1350 PolarHBondContact O-SG 2.92Å; L1346-C1350 VanDerWaalsContact O-SG 3.33Å; I1347-C1350 PolarHBondContact O-N 3.46Å; C1350-I1353 HydrophobicContact CB-CD1 4.3Å; C1350-I1353 HydrophobicContact CB-CG1 4.17Å | ||
| 1351 | T | 82.1 | Confident | 86.8 | Confident | 21 Ų | 21 | 33.5 Ų | 33.5 | 13% | 0.129 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -84.2 | -47.8 | 170.2 | 42.9 | 0 | 0 | 0 | 0 | 110.8 | H1128 H1154 P1320 L1321 | H1128-T1351 PolarHBondContact ND1-O 3.48Å; H1154-T1351 PolarHBondContact CD2-OG1 2.83Å; H1154-T1351 PolarHBondContact NE2-OG1 3.12Å; P1320-T1351 HydrophobicContact CB-CG2 4.33Å; L1321-T1351 PolarHBondContact O-N 3.29Å; L1321-T1351 PolarHBondContact O-OG1 3.48Å; L1321-T1351 VanDerWaalsContact O-OG1 3.11Å |
| 1352 | N | 85.9 | Confident | 86.7 | Confident | 6 Ų | 6 | 29.3 Ų | 29.3 | 3% | 0.032 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 151 | -175.2 | -52.9 | -40.7 | 0 | 0 | 0 | 110.6 | R1123 L1149 H1154 A1322 L1323 | R1123-N1352 PolarHBondContact NH1-ND2 3.39Å; R1123-N1352 PolarHBondContact NH2-ND2 2.83Å; R1123-N1352 VanDerWaalsContact NH2-ND2 3.12Å; L1149-N1352 PolarHBondContact O-ND2 3.36Å; H1154-N1352 PolarHBondContact NE2-ND2 2.88Å; A1322-N1352 WeakPolarHBondContact CA-O 3.39Å; L1323-N1352 PolarHBondContact N-O 3.32Å |
| 1353 | I | 93.6 | Very high | 86.7 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 142.9 | -177.3 | -52.8 | -169.5 | 0 | 0 | 0 | 109.6 | W1130 M1131 L1323 I1347 C1350 | W1130-I1353 CarbonylContact C-O 3.49Å; W1130-I1353 VanDerWaalsContact CA-O 3.29Å; W1130-I1353 WeakPolarHBondContact CA-O 3.47Å; W1130-I1353 HydrophobicContact CD2-CB 3.73Å; W1130-I1353 HydrophobicContact CD2-CD1 4.14Å; W1130-I1353 HydrophobicContact CD2-CG1 4.02Å; W1130-I1353 HydrophobicContact CE3-CB 3.93Å; W1130-I1353 HydrophobicContact CE3-CD1 4.2Å; W1130-I1353 HydrophobicContact CE3-CG1 4.4Å; W1130-I1353 HydrophobicContact CE3-CG2 4.29Å; W1130-I1353 HydrophobicContact CG-CB 3.96Å; W1130-I1353 HydrophobicContact CG-CG1 4.44Å; W1130-I1353 HydrophobicContact CH2-CD1 3.76Å; W1130-I1353 HydrophobicContact CZ2-CD1 3.64Å; W1130-I1353 HydrophobicContact CZ2-CG1 4.26Å; W1130-I1353 HydrophobicContact CZ3-CD1 4.02Å; M1131-I1353 PolarHBondContact N-O 3.34Å; L1323-I1353 HydrophobicContact CB-CG1 4.22Å; L1323-I1353 HydrophobicContact CB-CG2 4.25Å; L1323-I1353 HydrophobicContact CD2-CD1 4.37Å; L1323-I1353 HydrophobicContact CD2-CG2 4.45Å; L1323-I1353 HydrophobicContact CG-CG2 4.47Å; L1323-I1353 CarbonylContact O-C 3.56Å; L1323-I1353 WeakPolarHBondContact O-CA 3.02Å; I1347-I1353 HydrophobicContact CB-CD1 4.07Å; I1347-I1353 HydrophobicContact CG1-CD1 3.56Å; I1347-I1353 HydrophobicContact CG2-CD1 4.11Å; C1350-I1353 HydrophobicContact CB-CD1 4.3Å; C1350-I1353 HydrophobicContact CB-CG1 4.17Å |
| 1354 | I | 94.9 | Very high | 86.5 | Confident | 4 Ų | 4 | 29.1 Ų | 29.1 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 121.1 | 175.4 | -49.7 | 178.7 | 0 | 0 | 0 | 108.2 | M1131 A1140 V1141 A1144 I1150 L1323 V1324 I1325 C1356 | M1131-I1354 HydrophobicContact CB-CG1 4.47Å; M1131-I1354 HydrophobicContact CB-CG2 4.25Å; M1131-I1354 HydrophobicContact CG-CG2 4.41Å; M1131-I1354 CarbonylContact O-C 3.54Å; M1131-I1354 WeakPolarHBondContact O-CA 3.47Å; M1131-I1354 HydrophobicContact SD-CG2 4.04Å; A1140-I1354 HydrophobicContact CB-CG2 3.92Å; V1141-I1354 HydrophobicContact CG2-CD1 4.34Å; A1144-I1354 HydrophobicContact CB-CD1 3.3Å; A1144-I1354 HydrophobicContact CB-CG1 4.3Å; I1150-I1354 HydrophobicContact CD1-CD1 3.5Å; I1150-I1354 HydrophobicContact CD1-CG1 4.46Å; I1150-I1354 HydrophobicContact CG1-CD1 4.19Å; L1323-I1354 PolarHBondContact O-N 3Å; V1324-I1354 WeakPolarHBondContact CA-O 3.26Å; V1324-I1354 HydrophobicContact CG2-CB 4.43Å; V1324-I1354 HydrophobicContact CG2-CD1 4.35Å; I1325-I1354 PolarHBondContact N-O 2.93Å; I1354-C1356 VanDerWaalsContact CG2-SG 3.57Å |
| 1355 | C | 93.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 119.8 | 168.5 | -60 | 0 | 0 | 0 | 0 | 108.8 | M1131 L1132 T1133 I1325 L1330 S1358 | M1131-C1355 PolarHBondContact O-N 3.45Å; L1132-C1355 HydrophobicContact CD2-CB 3.58Å; L1132-C1355 WeakPolarHBondContact CD2-SG 3.5Å; T1133-C1355 PolarHBondContact N-O 3.34Å; T1133-C1355 VanDerWaalsContact O-O 3.11Å; I1325-C1355 HydrophobicContact CG2-CB 4.18Å; I1325-C1355 VanDerWaalsContact CG2-SG 3.5Å; I1325-C1355 WeakPolarHBondContact O-CA 3.06Å; L1330-C1355 HydrophobicContact CD2-CB 4.32Å; C1355-S1358 VanDerWaalsContact C-OG 3.25Å; C1355-S1358 WeakPolarHBondContact CB-OG 3.4Å; C1355-S1358 PolarHBondContact O-OG 2.73Å |
| 1356 | C | 88.7 | Confident | 86.9 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.007 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 146.4 | -175 | -52.2 | 0 | 0 | 0 | 0 | 110.7 | T1133 Q1137 I1325 D1326 G1327 I1354 S1358 | T1133-C1356 CarbonylContact O-C 3.55Å; Q1137-C1356 HydrophobicContact CB-CB 4.17Å; I1325-C1356 PolarHBondContact O-N 3.3Å; D1326-C1356 CarbonylContact C-O 3.56Å; G1327-C1356 PolarHBondContact N-O 3.34Å; I1354-C1356 VanDerWaalsContact CG2-SG 3.57Å; C1356-S1358 PolarHBondContact O-N 3.01Å |
| 1357 | R | 84.4 | Confident | 87.1 | Confident | 153 Ų | 153 | 25.8 Ų | 25.8 | 58% | 0.577 | 15% | 0.147 | S | C | * | . | S | Bend | trans | 51.1 | 37 | -171.2 | -57 | -170.2 | -176.1 | -133.3 | 7.4 | 113.8 | T1133 G1134 D1135 T1359 | T1133-R1357 PolarHBondContact O-N 2.84Å; T1133-R1357 VanDerWaalsContact O-N 3.09Å; G1134-R1357 WeakPolarHBondContact O-CA 3.44Å; D1135-R1357 WeakPolarHBondContact O-CG 3.49Å; D1135-R1357 PolarHBondContact O-N 3.01Å; R1357-T1359 PolarHBondContact O-N 3.42Å |
| 1358 | S | 82.8 | Confident | 87.3 | Confident | 5 Ų | 5 | 27.8 Ų | 27.8 | 4% | 0.035 | 16% | 0.161 | C | C | . | . | trans | -74.4 | 119.8 | 178.2 | -51.3 | 0 | 0 | 0 | 0 | 110.6 | T1133 C1355 C1356 | T1133-S1358 WeakPolarHBondContact O-CB 3.45Å; T1133-S1358 PolarHBondContact O-N 3.23Å; T1133-S1358 PolarHBondContact O-OG 3.1Å; C1355-S1358 VanDerWaalsContact C-OG 3.25Å; C1355-S1358 WeakPolarHBondContact CB-OG 3.4Å; C1355-S1358 PolarHBondContact O-OG 2.73Å; C1356-S1358 PolarHBondContact O-N 3.01Å | ||
| 1359 | T | 80.1 | Confident | 87.7 | Confident | 74 Ų | 74 | 25.7 Ų | 25.7 | 45% | 0.454 | 15% | 0.151 | S | C | . | . | trans | -70.8 | 154.7 | 170.4 | 61.6 | 0 | 0 | 0 | 0 | 111.3 | R1357 G1361 Q1362 K1363 | R1357-T1359 PolarHBondContact O-N 3.42Å; T1359-G1361 VanDerWaalsContact C-N 3.27Å; T1359-G1361 PolarHBondContact O-N 3.42Å; T1359-Q1362 WeakPolarHBondContact O-CA 3.38Å; T1359-Q1362 WeakPolarHBondContact O-CB 3.29Å; T1359-Q1362 PolarHBondContact O-N 3.46Å; T1359-Q1362 WeakPolarHBondContact OG1-CG 3.48Å; T1359-Q1362 PolarHBondContact OG1-OE1 2.99Å; T1359-K1363 PolarHBondContact O-N 3.12Å | ||
| 1360 | P | 78.1 | Confident | 88.1 | Confident | 35 Ų | 35 | 23.3 Ų | 23.3 | 23% | 0.227 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -51.7 | -40.6 | 179.7 | -32.6 | 38.6 | 0 | 0 | 0 | 114.6 | Q1362 K1363 A1364 N1386 | P1360-Q1362 VanDerWaalsContact C-N 3.35Å; P1360-Q1362 PolarHBondContact O-N 3.35Å; P1360-K1363 PolarHBondContact O-N 2.71Å; P1360-A1364 PolarHBondContact O-N 3.14Å; P1360-A1364 VanDerWaalsContact O-N 3.14Å; P1360-N1386 WeakPolarHBondContact CB-O 3.32Å; P1360-N1386 HydrophobicContact CG-CB 4.09Å; P1360-N1386 VanDerWaalsContact CG-OD1 3.27Å; P1360-N1386 WeakPolarHBondContact CG-OD1 3.36Å |
| 1361 | G | 78.6 | Confident | 88.4 | Confident | 48 Ų | 48 | 25.1 Ų | 25.1 | 50% | 0.495 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -67.3 | -32 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T1359 A1365 | T1359-G1361 VanDerWaalsContact C-N 3.27Å; T1359-G1361 PolarHBondContact O-N 3.42Å; G1361-A1365 WeakPolarHBondContact O-CB 3.46Å; G1361-A1365 PolarHBondContact O-N 2.91Å |
| 1362 | Q | 86.4 | Confident | 88.7 | Confident | 20 Ų | 20 | 28.4 Ų | 28.4 | 9% | 0.093 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -74.2 | -38.5 | 173.8 | -71.3 | 169 | -39.1 | 0 | 0 | 112.2 | G1327 L1330 L1334 T1359 P1360 A1364 A1365 V1366 | G1327-Q1362 PolarHBondContact O-NE2 2.92Å; L1330-Q1362 HydrophobicContact CD2-CB 4.14Å; L1334-Q1362 HydrophobicContact CD1-CG 4.41Å; T1359-Q1362 WeakPolarHBondContact O-CA 3.38Å; T1359-Q1362 WeakPolarHBondContact O-CB 3.29Å; T1359-Q1362 PolarHBondContact O-N 3.46Å; T1359-Q1362 WeakPolarHBondContact OG1-CG 3.48Å; T1359-Q1362 PolarHBondContact OG1-OE1 2.99Å; P1360-Q1362 VanDerWaalsContact C-N 3.35Å; P1360-Q1362 PolarHBondContact O-N 3.35Å; Q1362-A1364 VanDerWaalsContact C-N 3.33Å; Q1362-A1364 PolarHBondContact O-N 3.31Å; Q1362-A1365 PolarHBondContact O-N 2.78Å; Q1362-V1366 WeakPolarHBondContact O-CG2 3.42Å; Q1362-V1366 PolarHBondContact O-N 3.32Å |
| 1363 | K | 89.4 | Confident | 88.8 | Confident | 6 Ų | 6 | 31.5 Ų | 31.5 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.6 | -51.4 | 172.6 | -59 | -167.1 | -168.9 | -166.6 | 0 | 110.2 | D400 L1132 T1359 P1360 A1365 V1366 V1367 D1387 M1390 | D400-K1363 IonicContact OD1-NZ 2.81Å; D400-K1363 PolarHBondContact OD1-NZ 3.21Å; L1132-K1363 HydrophobicContact CB-CD 4.35Å; L1132-K1363 HydrophobicContact CB-CG 4.21Å; L1132-K1363 HydrophobicContact CD1-CB 4.44Å; L1132-K1363 VanDerWaalsContact O-CD 3.26Å; L1132-K1363 WeakPolarHBondContact O-CD 3.39Å; L1132-K1363 WeakPolarHBondContact O-CE 3.26Å; L1132-K1363 PolarHBondContact O-NZ 3.06Å; T1359-K1363 PolarHBondContact O-N 3.12Å; P1360-K1363 PolarHBondContact O-N 2.71Å; K1363-A1365 PolarHBondContact O-N 3.39Å; K1363-V1366 PolarHBondContact O-N 3.02Å; K1363-V1367 PolarHBondContact O-N 2.83Å; K1363-V1367 VanDerWaalsContact O-N 3.12Å; K1363-D1387 VanDerWaalsContact CD-OD1 3.23Å; K1363-D1387 WeakPolarHBondContact CD-OD1 3.39Å; K1363-D1387 WeakPolarHBondContact CE-OD1 3.43Å; K1363-D1387 IonicContact NZ-OD1 2.67Å; K1363-D1387 PolarHBondContact NZ-OD1 2.86Å; K1363-D1387 IonicContact NZ-OD2 3.78Å; K1363-M1390 HydrophobicContact CB-CB 4.17Å; K1363-M1390 HydrophobicContact CB-CG 4.19Å; K1363-M1390 HydrophobicContact CB-SD 4.05Å; K1363-M1390 HydrophobicContact CD-SD 4.17Å |
| 1364 | A | 89.3 | Confident | 88.5 | Confident | 13 Ų | 13 | 32.2 Ų | 32.2 | 11% | 0.107 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.1 | -43 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P1360 Q1362 V1366 V1367 C1368 N1389 V1393 | P1360-A1364 PolarHBondContact O-N 3.14Å; P1360-A1364 VanDerWaalsContact O-N 3.14Å; Q1362-A1364 VanDerWaalsContact C-N 3.33Å; Q1362-A1364 PolarHBondContact O-N 3.31Å; A1364-V1366 PolarHBondContact O-N 3.16Å; A1364-V1367 PolarHBondContact O-N 2.97Å; A1364-C1368 WeakPolarHBondContact O-CB 3.27Å; A1364-C1368 PolarHBondContact O-N 2.88Å; A1364-N1389 HydrophobicContact CB-CB 3.87Å; A1364-N1389 WeakPolarHBondContact CB-O 3.44Å; A1364-V1393 HydrophobicContact CB-CG2 4.22Å |
| 1365 | A | 90.8 | Very high | 88.1 | Confident | 35 Ų | 35 | 38.1 Ų | 38.1 | 29% | 0.289 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.7 | -36 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1334 G1361 Q1362 K1363 L1369 | L1334-A1365 HydrophobicContact CD1-CB 3.81Å; L1334-A1365 HydrophobicContact CD2-CB 4.29Å; G1361-A1365 WeakPolarHBondContact O-CB 3.46Å; G1361-A1365 PolarHBondContact O-N 2.91Å; Q1362-A1365 PolarHBondContact O-N 2.78Å; K1363-A1365 PolarHBondContact O-N 3.39Å; A1365-L1369 VanDerWaalsContact O-CB 3.28Å; A1365-L1369 WeakPolarHBondContact O-CB 3.37Å; A1365-L1369 PolarHBondContact O-N 3.27Å |
| 1366 | V | 93.5 | Very high | 87.8 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.6 | -41.7 | 175.1 | 171.2 | 0 | 0 | 0 | 0 | 111.8 | F398 W1130 L1132 L1330 Q1362 K1363 A1364 L1369 V1370 | F398-V1366 HydrophobicContact CE1-CG1 4.14Å; W1130-V1366 HydrophobicContact CE3-CG1 4.24Å; W1130-V1366 HydrophobicContact CZ3-CG1 3.89Å; L1132-V1366 HydrophobicContact CD1-CB 4.19Å; L1132-V1366 HydrophobicContact CD1-CG1 4.02Å; L1132-V1366 HydrophobicContact CD2-CG1 4.01Å; L1330-V1366 HydrophobicContact CD1-CG2 3.82Å; L1330-V1366 HydrophobicContact CD2-CG2 3.83Å; L1330-V1366 HydrophobicContact CG-CG2 4.33Å; Q1362-V1366 WeakPolarHBondContact O-CG2 3.42Å; Q1362-V1366 PolarHBondContact O-N 3.32Å; K1363-V1366 PolarHBondContact O-N 3.02Å; A1364-V1366 PolarHBondContact O-N 3.16Å; V1366-L1369 WeakPolarHBondContact O-CB 3.41Å; V1366-L1369 PolarHBondContact O-N 3.1Å; V1366-V1370 PolarHBondContact O-N 2.88Å; V1366-V1370 VanDerWaalsContact O-N 3.13Å |
| 1367 | V | 94.3 | Very high | 88 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.9 | -44.6 | 174.3 | 177.5 | 0 | 0 | 0 | 0 | 110.8 | F398 L1132 K1363 A1364 L1369 V1370 K1371 M1390 V1393 A1394 | F398-V1367 HydrophobicContact CB-CG2 4.15Å; F398-V1367 HydrophobicContact CD1-CG2 4.04Å; F398-V1367 HydrophobicContact CD2-CB 4.45Å; F398-V1367 HydrophobicContact CD2-CG1 4.26Å; F398-V1367 HydrophobicContact CD2-CG2 3.68Å; F398-V1367 HydrophobicContact CE1-CG2 4.35Å; F398-V1367 HydrophobicContact CE2-CB 4.41Å; F398-V1367 HydrophobicContact CE2-CG1 4.19Å; F398-V1367 HydrophobicContact CE2-CG2 4.04Å; F398-V1367 HydrophobicContact CG-CG2 3.68Å; F398-V1367 HydrophobicContact CZ-CG2 4.35Å; L1132-V1367 HydrophobicContact CD1-CG2 4.21Å; K1363-V1367 PolarHBondContact O-N 2.83Å; K1363-V1367 VanDerWaalsContact O-N 3.12Å; A1364-V1367 PolarHBondContact O-N 2.97Å; V1367-L1369 PolarHBondContact O-N 3.48Å; V1367-V1370 PolarHBondContact O-N 2.9Å; V1367-K1371 WeakPolarHBondContact O-CB 3.31Å; V1367-K1371 PolarHBondContact O-N 3.43Å; V1367-M1390 HydrophobicContact CG2-CG 3.49Å; V1367-M1390 VanDerWaalsContact CG2-CG 3.49Å; V1367-M1390 HydrophobicContact CG2-SD 4.37Å; V1367-V1393 HydrophobicContact CB-CG1 4.33Å; V1367-V1393 HydrophobicContact CG1-CG1 4.16Å; V1367-A1394 HydrophobicContact CG1-CB 3.92Å |
| 1368 | C | 92.4 | Very high | 88.6 | Confident | 47 Ų | 47 | 31.5 Ų | 31.5 | 32% | 0.318 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -58.8 | -47.2 | 176.4 | -155 | 0 | 0 | 0 | 0 | 111.6 | A1364 V1370 K1371 D1372 V1393 | A1364-C1368 WeakPolarHBondContact O-CB 3.27Å; A1364-C1368 PolarHBondContact O-N 2.88Å; C1368-V1370 PolarHBondContact O-N 3.24Å; C1368-K1371 PolarHBondContact O-N 2.72Å; C1368-D1372 WeakPolarHBondContact O-CB 3.39Å; C1368-D1372 PolarHBondContact O-N 3.33Å; C1368-V1393 HydrophobicContact CB-CG1 3.81Å |
| 1369 | L | 92.7 | Very high | 89.3 | Confident | 11 Ų | 11 | 31.2 Ų | 31.2 | 6% | 0.058 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -54.4 | -50.5 | 177.6 | -179.5 | 72.8 | 0 | 0 | 0 | 112.3 | L1334 K1340 F1343 I1344 A1365 V1366 V1367 E1373 | L1334-L1369 HydrophobicContact CD2-CD2 4.38Å; K1340-L1369 HydrophobicContact CD-CD1 3.76Å; K1340-L1369 HydrophobicContact CG-CD1 3.43Å; K1340-L1369 VanDerWaalsContact CG-CD1 3.43Å; F1343-L1369 HydrophobicContact CD1-CD2 3.76Å; F1343-L1369 HydrophobicContact CE1-CD2 3.9Å; I1344-L1369 HydrophobicContact CD1-CD1 4.06Å; I1344-L1369 HydrophobicContact CG1-CD1 4.25Å; I1344-L1369 HydrophobicContact CG1-CG 4.4Å; A1365-L1369 VanDerWaalsContact O-CB 3.28Å; A1365-L1369 WeakPolarHBondContact O-CB 3.37Å; A1365-L1369 PolarHBondContact O-N 3.27Å; V1366-L1369 WeakPolarHBondContact O-CB 3.41Å; V1366-L1369 PolarHBondContact O-N 3.1Å; V1367-L1369 PolarHBondContact O-N 3.48Å; L1369-E1373 HydrophobicContact CD1-CG 3.95Å; L1369-E1373 WeakPolarHBondContact O-CB 3.12Å; L1369-E1373 VanDerWaalsContact O-CG 3.26Å; L1369-E1373 WeakPolarHBondContact O-CG 3.46Å; L1369-E1373 PolarHBondContact O-N 2.71Å; L1369-E1373 VanDerWaalsContact O-N 3.08Å |
| 1370 | V | 92.5 | Very high | 90 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.018 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.6 | -45.4 | -178.5 | 169.6 | 0 | 0 | 0 | 0 | 111.4 | Y396 F398 W1130 V1366 V1367 C1368 D1372 L1374 T1378 | Y396-V1370 HydrophobicContact CD1-CG1 3.94Å; Y396-V1370 HydrophobicContact CD2-CG1 3.97Å; Y396-V1370 HydrophobicContact CE1-CG1 4.3Å; Y396-V1370 HydrophobicContact CE2-CG1 4.33Å; Y396-V1370 HydrophobicContact CG-CG1 3.78Å; F398-V1370 HydrophobicContact CE1-CG2 4.3Å; F398-V1370 HydrophobicContact CE2-CG1 4.48Å; F398-V1370 HydrophobicContact CZ-CB 3.77Å; F398-V1370 HydrophobicContact CZ-CG1 3.86Å; F398-V1370 HydrophobicContact CZ-CG2 3.87Å; W1130-V1370 HydrophobicContact CH2-CG2 3.32Å; W1130-V1370 HydrophobicContact CZ2-CG2 4.2Å; W1130-V1370 HydrophobicContact CZ3-CG2 3.66Å; V1366-V1370 PolarHBondContact O-N 2.88Å; V1366-V1370 VanDerWaalsContact O-N 3.13Å; V1367-V1370 PolarHBondContact O-N 2.9Å; C1368-V1370 PolarHBondContact O-N 3.24Å; V1370-D1372 PolarHBondContact O-N 3.12Å; V1370-L1374 HydrophobicContact CG1-CD1 4.33Å; V1370-L1374 WeakPolarHBondContact O-CB 3.41Å; V1370-L1374 PolarHBondContact O-N 3.19Å; V1370-L1374 VanDerWaalsContact O-N 3.15Å; V1370-T1378 HydrophobicContact CG1-CG2 4.13Å |
| 1371 | K | 91.9 | Very high | 90.8 | Very high | 43 Ų | 43 | 26 Ų | 26 | 19% | 0.187 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.8 | -49.5 | 179.6 | 178.8 | -173.7 | 171 | -167.3 | 0 | 112 | V1367 C1368 N1375 T1378 V1393 | V1367-K1371 WeakPolarHBondContact O-CB 3.31Å; V1367-K1371 PolarHBondContact O-N 3.43Å; C1368-K1371 PolarHBondContact O-N 2.72Å; K1371-N1375 VanDerWaalsContact O-CA 3.22Å; K1371-N1375 WeakPolarHBondContact O-CA 3.41Å; K1371-N1375 PolarHBondContact O-N 2.8Å; K1371-T1378 HydrophobicContact CB-CG2 3.75Å; K1371-T1378 HydrophobicContact CG-CG2 4.43Å; K1371-V1393 WeakPolarHBondContact CD-O 3.34Å; K1371-V1393 PolarHBondContact NZ-O 2.63Å |
| 1372 | D | 89 | Confident | 91.4 | Very high | 89 Ų | 89 | 23.8 Ų | 23.8 | 48% | 0.476 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -87.2 | -38.9 | -170 | -67.3 | -3.2 | 0 | 0 | 0 | 112.6 | C1368 V1370 | C1368-D1372 WeakPolarHBondContact O-CB 3.39Å; C1368-D1372 PolarHBondContact O-N 3.33Å; V1370-D1372 PolarHBondContact O-N 3.12Å |
| 1373 | E | 88.3 | Confident | 91.3 | Very high | 72 Ų | 72 | 23.2 Ų | 23.2 | 34% | 0.336 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -83.1 | -34.4 | -176.5 | -56.4 | -79.3 | -174.6 | 0 | 0 | 112.8 | K1340 I1344 L1369 | K1340-E1373 WeakPolarHBondContact CE-OE1 3.32Å; K1340-E1373 IonicContact NZ-OE1 3.23Å; K1340-E1373 PolarHBondContact NZ-OE1 2.78Å; I1344-E1373 HydrophobicContact CD1-CB 3.8Å; I1344-E1373 HydrophobicContact CD1-CG 3.73Å; L1369-E1373 HydrophobicContact CD1-CG 3.95Å; L1369-E1373 WeakPolarHBondContact O-CB 3.12Å; L1369-E1373 VanDerWaalsContact O-CG 3.26Å; L1369-E1373 WeakPolarHBondContact O-CG 3.46Å; L1369-E1373 PolarHBondContact O-N 2.71Å; L1369-E1373 VanDerWaalsContact O-N 3.08Å |
| 1374 | L | 86 | Confident | 90.5 | Very high | 16 Ų | 16 | 23.2 Ų | 23.2 | 8% | 0.084 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -93.7 | -10.4 | 175.5 | -58 | -178.1 | 0 | 0 | 0 | 113.2 | Y396 I1344 I1347 E1348 V1370 A1376 | Y396-L1374 HydrophobicContact CE2-CD1 4.49Å; I1344-L1374 HydrophobicContact CG2-CD2 3.76Å; I1344-L1374 HydrophobicContact CG2-CG 4.49Å; I1347-L1374 HydrophobicContact CG2-CD1 4.44Å; E1348-L1374 HydrophobicContact CG-CD2 4.14Å; V1370-L1374 HydrophobicContact CG1-CD1 4.33Å; V1370-L1374 WeakPolarHBondContact O-CB 3.41Å; V1370-L1374 PolarHBondContact O-N 3.19Å; V1370-L1374 VanDerWaalsContact O-N 3.15Å; L1374-A1376 HydrophobicContact CB-CB 4.46Å; L1374-A1376 PolarHBondContact O-N 3.33Å |
| 1375 | N | 87 | Confident | 89.5 | Confident | 128 Ų | 128 | 23.1 Ų | 23.1 | 68% | 0.684 | 13% | 0.13 | S | C | * | . | trans | 54.3 | 30.9 | -178 | -171.5 | 40.6 | 0 | 0 | 0 | 113.3 | K1371 | K1371-N1375 VanDerWaalsContact O-CA 3.22Å; K1371-N1375 WeakPolarHBondContact O-CA 3.41Å; K1371-N1375 PolarHBondContact O-N 2.8Å | ||
| 1376 | A | 86.9 | Confident | 88.6 | Confident | 2 Ų | 2 | 24.1 Ų | 24.1 | 2% | 0.017 | 13% | 0.13 | C | C | . | . | trans | -81.9 | 176.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E395 Y396 L1374 | E395-A1376 HydrophobicContact CB-CB 4.37Å; E395-A1376 WeakPolarHBondContact OE2-CB 3.32Å; Y396-A1376 HydrophobicContact CD2-CB 3.53Å; Y396-A1376 HydrophobicContact CE2-CB 3.64Å; L1374-A1376 HydrophobicContact CB-CB 4.46Å; L1374-A1376 PolarHBondContact O-N 3.33Å | ||
| 1377 | Q | 93.6 | Very high | 88.1 | Confident | 13 Ų | 13 | 24.2 Ų | 24.2 | 6% | 0.061 | 13% | 0.131 | C | C | . | . | trans | -101.3 | 124 | 164.2 | -68.1 | -60.5 | -93.9 | 0 | 0 | 110.8 | K274 Q393 I394 E395 Y396 N1395 | K274-Q1377 HydrophobicContact CD-CG 3.54Å; Q393-Q1377 HydrophobicContact CB-CG 4.22Å; Q393-Q1377 WeakPolarHBondContact O-CB 3.49Å; I394-Q1377 HydrophobicContact CD1-CB 4.25Å; E395-Q1377 PolarHBondContact N-O 2.99Å; Y396-Q1377 PolarHBondContact N-O 2.84Å; Y396-Q1377 VanDerWaalsContact N-O 3.08Å; Q1377-N1395 PolarHBondContact NE2-ND2 3Å; Q1377-N1395 PolarHBondContact NE2-OD1 3.49Å | ||
| 1378 | T | 96.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 126.9 | -173.8 | 56.8 | 0 | 0 | 0 | 0 | 110.7 | F398 V1370 K1371 N1395 V1396 | F398-T1378 HydrophobicContact CE2-CG2 3.75Å; F398-T1378 HydrophobicContact CZ-CG2 4.48Å; V1370-T1378 HydrophobicContact CG1-CG2 4.13Å; K1371-T1378 HydrophobicContact CB-CG2 3.75Å; K1371-T1378 HydrophobicContact CG-CG2 4.43Å; T1378-N1395 PolarHBondContact N-OD1 2.93Å; T1378-N1395 WeakPolarHBondContact O-CA 3.44Å; T1378-N1395 WeakPolarHBondContact O-CB 3.2Å; T1378-N1395 PolarHBondContact O-N 2.96Å; T1378-N1395 PolarHBondContact OG1-N 3.27Å; T1378-N1395 VanDerWaalsContact OG1-N 3.11Å; T1378-N1395 PolarHBondContact OG1-OD1 2.97Å; T1378-V1396 PolarHBondContact O-N 3.15Å |
| 1379 | L | 97.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 132.6 | 166.9 | -175.3 | 150.8 | 0 | 0 | 0 | 108.4 | L391 I394 Y396 V397 F398 I1381 V1396 I1398 L1423 L1427 | L391-L1379 HydrophobicContact CD2-CD1 4.48Å; I394-L1379 HydrophobicContact CD1-CB 4.06Å; I394-L1379 HydrophobicContact CD1-CD1 4.45Å; I394-L1379 HydrophobicContact CG1-CB 4.21Å; I394-L1379 HydrophobicContact CG1-CD1 4.05Å; I394-L1379 HydrophobicContact CG2-CB 3.58Å; I394-L1379 HydrophobicContact CG2-CD1 4.36Å; Y396-L1379 PolarHBondContact O-N 3.02Å; V397-L1379 CarbonylContact C-O 3.51Å; V397-L1379 WeakPolarHBondContact CA-O 3.39Å; V397-L1379 HydrophobicContact CG1-CD2 4.06Å; V397-L1379 HydrophobicContact CG2-CB 4.39Å; V397-L1379 HydrophobicContact CG2-CD2 4.48Å; F398-L1379 WeakPolarHBondContact CD2-O 3.36Å; F398-L1379 PolarHBondContact N-O 3.36Å; L1379-I1381 HydrophobicContact CD2-CB 4.24Å; L1379-V1396 CarbonylContact C-O 3.46Å; L1379-V1396 VanDerWaalsContact CA-O 3.24Å; L1379-V1396 WeakPolarHBondContact CA-O 3.46Å; L1379-V1396 HydrophobicContact CD1-CB 4.45Å; L1379-V1396 HydrophobicContact CD1-CG1 4.29Å; L1379-V1396 HydrophobicContact CG-CB 4.37Å; L1379-V1396 HydrophobicContact CG-CG1 4.44Å; L1379-I1398 HydrophobicContact CD1-CD1 3.74Å; L1379-I1398 HydrophobicContact CD1-CG1 4.36Å; L1379-I1398 HydrophobicContact CD2-CD1 4.21Å; L1379-I1398 HydrophobicContact CD2-CG1 4.4Å; L1379-I1398 HydrophobicContact CG-CD1 4.22Å; L1379-I1398 HydrophobicContact CG-CG1 4.36Å; L1379-L1423 HydrophobicContact CD1-CD1 4.34Å; L1379-L1423 HydrophobicContact CD2-CD1 4.48Å; L1379-L1427 HydrophobicContact CD1-CD1 4.13Å; L1379-L1427 HydrophobicContact CD1-CD2 3.8Å; L1379-L1427 HydrophobicContact CD1-CG 4.48Å |
| 1380 | A | 95.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 136 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | F398 M1390 I1391 A1394 V1396 G1397 I1398 | F398-A1380 HydrophobicContact CB-CB 4.47Å; F398-A1380 CarbonylContact O-C 3.47Å; F398-A1380 WeakPolarHBondContact O-CA 3.07Å; A1380-M1390 HydrophobicContact CB-CB 4.46Å; A1380-M1390 HydrophobicContact CB-CE 4.22Å; A1380-M1390 HydrophobicContact CB-CG 3.81Å; A1380-M1390 WeakPolarHBondContact CB-O 3.37Å; A1380-I1391 HydrophobicContact CB-CG1 4.44Å; A1380-A1394 HydrophobicContact CB-CB 3.58Å; A1380-V1396 PolarHBondContact N-O 3.21Å; A1380-G1397 CarbonylContact O-C 3.58Å; A1380-G1397 WeakPolarHBondContact O-CA 3.35Å; A1380-I1398 PolarHBondContact O-N 3.44Å |
| 1381 | I | 95.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 134.9 | 176.1 | -170.1 | 165.9 | 0 | 0 | 0 | 110.8 | F398 T399 D400 T404 L1379 M1390 I1398 I1400 I1417 F1420 L1423 | F398-I1381 WeakPolarHBondContact O-CG2 3.39Å; F398-I1381 PolarHBondContact O-N 2.93Å; T399-I1381 WeakPolarHBondContact CA-O 3.47Å; D400-I1381 PolarHBondContact N-O 2.66Å; T404-I1381 HydrophobicContact CG2-CG1 4.5Å; T404-I1381 HydrophobicContact CG2-CG2 4.32Å; L1379-I1381 HydrophobicContact CD2-CB 4.24Å; I1381-M1390 WeakPolarHBondContact O-CE 3.43Å; I1381-I1398 WeakPolarHBondContact CA-O 3.37Å; I1381-I1398 HydrophobicContact CB-CB 4.2Å; I1381-I1398 HydrophobicContact CD1-CB 4.22Å; I1381-I1398 HydrophobicContact CD1-CG2 3.74Å; I1381-I1398 HydrophobicContact CG1-CB 3.99Å; I1381-I1398 HydrophobicContact CG1-CG2 3.89Å; I1381-I1400 HydrophobicContact CD1-CD1 3.75Å; I1381-I1400 HydrophobicContact CD1-CG1 3.87Å; I1381-I1400 HydrophobicContact CG1-CD1 4Å; I1381-I1400 HydrophobicContact CG1-CG1 3.97Å; I1381-I1417 HydrophobicContact CD1-CD1 3.98Å; I1381-F1420 HydrophobicContact CD1-CD2 4.27Å; I1381-F1420 HydrophobicContact CG2-CE2 4.17Å; I1381-L1423 HydrophobicContact CD1-CD2 4.1Å |
| 1382 | G | 90 | Very high | 86.2 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.7 | 163.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | T404 I1398 G1399 I1400 A1409 | T404-G1382 VanDerWaalsContact OG1-CA 3.27Å; T404-G1382 WeakPolarHBondContact OG1-CA 3.43Å; G1382-I1398 PolarHBondContact N-O 3.43Å; G1382-I1398 VanDerWaalsContact N-O 3.16Å; G1382-G1399 CarbonylContact O-C 3.55Å; G1382-G1399 VanDerWaalsContact O-CA 3.31Å; G1382-G1399 WeakPolarHBondContact O-CA 3.44Å; G1382-I1400 PolarHBondContact O-N 3.4Å; G1382-A1409 WeakPolarHBondContact O-CB 3.31Å |
| 1383 | D | 84.1 | Confident | 86.2 | Confident | 8 Ų | 8 | 22 Ų | 22 | 4% | 0.043 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -116 | -40.1 | 174.3 | 57.9 | -40.9 | 0 | 0 | 0 | 112.6 | G403 T404 I1400 S1402 G1406 A1409 | G403-D1383 VanDerWaalsContact C-OD2 3.28Å; G403-D1383 WeakPolarHBondContact CA-OD2 3.42Å; T404-D1383 PolarHBondContact N-OD1 3.48Å; T404-D1383 PolarHBondContact OG1-N 3.49Å; T404-D1383 VanDerWaalsContact OG1-N 3.16Å; T404-D1383 PolarHBondContact OG1-OD1 3.42Å; D1383-I1400 HydrophobicContact CB-CB 3.92Å; D1383-I1400 HydrophobicContact CB-CG2 4.05Å; D1383-I1400 VanDerWaalsContact CB-O 3.29Å; D1383-I1400 WeakPolarHBondContact CB-O 3.29Å; D1383-S1402 PolarHBondContact OD2-OG 3.43Å; D1383-G1406 WeakPolarHBondContact O-CA 3.34Å; D1383-A1409 VanDerWaalsContact C-CB 3.47Å; D1383-A1409 WeakPolarHBondContact O-CB 3.31Å |
| 1384 | G | 72.9 | Confident | 86.4 | Confident | 6 Ų | 6 | 18.7 Ų | 18.7 | 6% | 0.062 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -71 | 155.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | N1386 D1387 | G1384-N1386 PolarHBondContact O-N 2.89Å; G1384-N1386 VanDerWaalsContact O-N 3.17Å; G1384-D1387 PolarHBondContact O-N 2.88Å |
| 1385 | A | 68 | Low | 86.8 | Confident | 11 Ų | 11 | 18.9 Ų | 18.9 | 9% | 0.091 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -59.7 | -27.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L175 D1387 V1388 Q1408 | L175-A1385 WeakPolarHBondContact O-CB 3.32Å; A1385-D1387 PolarHBondContact O-N 3.45Å; A1385-V1388 WeakPolarHBondContact O-CB 3.36Å; A1385-V1388 WeakPolarHBondContact O-CG2 3.45Å; A1385-V1388 PolarHBondContact O-N 2.97Å; A1385-Q1408 HydrophobicContact CB-CB 3.7Å; A1385-Q1408 HydrophobicContact CB-CG 3.75Å |
| 1386 | N | 73.3 | Confident | 87.1 | Confident | 56 Ų | 56 | 12.8 Ų | 12.8 | 30% | 0.299 | 7% | 0.072 | S | C | . | . | G | 310 helix | trans | -51.9 | -22.8 | 170.1 | -76.5 | -51 | 0 | 0 | 0 | 114.1 | D176 P1360 G1384 | D176-N1386 PolarHBondContact O-ND2 3.2Å; P1360-N1386 WeakPolarHBondContact CB-O 3.32Å; P1360-N1386 HydrophobicContact CG-CB 4.09Å; P1360-N1386 VanDerWaalsContact CG-OD1 3.27Å; P1360-N1386 WeakPolarHBondContact CG-OD1 3.36Å; G1384-N1386 PolarHBondContact O-N 2.89Å; G1384-N1386 VanDerWaalsContact O-N 3.17Å |
| 1387 | D | 81.9 | Confident | 87.4 | Confident | 3 Ų | 3 | 12.7 Ų | 12.7 | 2% | 0.016 | 7% | 0.071 | C | C | . | . | G | 310 helix | trans | -100.5 | -7.4 | -179.8 | -66.9 | -57.4 | 0 | 0 | 0 | 114.6 | D400 K1363 G1384 A1385 N1389 M1390 I1391 | D400-D1387 WeakPolarHBondContact CB-OD2 3.48Å; K1363-D1387 VanDerWaalsContact CD-OD1 3.23Å; K1363-D1387 WeakPolarHBondContact CD-OD1 3.39Å; K1363-D1387 WeakPolarHBondContact CE-OD1 3.43Å; K1363-D1387 IonicContact NZ-OD1 2.67Å; K1363-D1387 PolarHBondContact NZ-OD1 2.86Å; K1363-D1387 IonicContact NZ-OD2 3.78Å; G1384-D1387 PolarHBondContact O-N 2.88Å; A1385-D1387 PolarHBondContact O-N 3.45Å; D1387-N1389 VanDerWaalsContact C-N 3.26Å; D1387-N1389 PolarHBondContact O-N 3.47Å; D1387-M1390 HydrophobicContact CB-CE 4.11Å; D1387-M1390 WeakPolarHBondContact O-CA 3.44Å; D1387-M1390 VanDerWaalsContact O-CB 3.25Å; D1387-M1390 WeakPolarHBondContact O-CB 3.22Å; D1387-M1390 PolarHBondContact O-N 3.19Å; D1387-M1390 WeakPolarHBondContact OD1-CE 3.38Å; D1387-I1391 HydrophobicContact CB-CD1 4.12Å; D1387-I1391 WeakPolarHBondContact O-CB 3.47Å; D1387-I1391 WeakPolarHBondContact O-CG1 3.38Å; D1387-I1391 PolarHBondContact O-N 3.49Å |
| 1388 | V | 78.7 | Confident | 87.4 | Confident | 9 Ų | 9 | 12.1 Ų | 12.1 | 6% | 0.055 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -53.5 | -44.3 | 178.1 | 166.7 | 0 | 0 | 0 | 0 | 111.4 | A1385 M1390 I1391 Q1392 Q1408 A1412 | A1385-V1388 WeakPolarHBondContact O-CB 3.36Å; A1385-V1388 WeakPolarHBondContact O-CG2 3.45Å; A1385-V1388 PolarHBondContact O-N 2.97Å; V1388-M1390 VanDerWaalsContact C-N 3.27Å; V1388-M1390 PolarHBondContact O-N 3.32Å; V1388-I1391 PolarHBondContact O-N 3.06Å; V1388-Q1392 HydrophobicContact CG1-CG 4.32Å; V1388-Q1392 WeakPolarHBondContact O-CB 3.42Å; V1388-Q1392 WeakPolarHBondContact O-CG 3.47Å; V1388-Q1392 PolarHBondContact O-N 3.19Å; V1388-Q1408 HydrophobicContact CG2-CB 4.39Å; V1388-A1412 HydrophobicContact CB-CB 4.32Å; V1388-A1412 HydrophobicContact CG1-CB 3.68Å; V1388-A1412 HydrophobicContact CG2-CB 3.96Å |
| 1389 | N | 82.6 | Confident | 87.1 | Confident | 71 Ų | 71 | 12.1 Ų | 12.1 | 38% | 0.38 | 7% | 0.068 | S | C | . | . | H | α-helix | trans | -63.9 | -30.9 | 177.1 | -65.6 | -58 | 0 | 0 | 0 | 112.9 | A1364 D1387 V1393 | A1364-N1389 HydrophobicContact CB-CB 3.87Å; A1364-N1389 WeakPolarHBondContact CB-O 3.44Å; D1387-N1389 VanDerWaalsContact C-N 3.26Å; D1387-N1389 PolarHBondContact O-N 3.47Å; N1389-V1393 WeakPolarHBondContact O-CB 3.34Å; N1389-V1393 VanDerWaalsContact O-CG2 3.27Å; N1389-V1393 WeakPolarHBondContact O-CG2 3.43Å |
| 1390 | M | 87.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -74.8 | -45.4 | 176.8 | -166.1 | 179.6 | 61.3 | 0 | 0 | 110.8 | F398 L1132 K1363 V1367 A1380 I1381 D1387 V1388 V1393 A1394 | F398-M1390 HydrophobicContact CB-SD 4.04Å; L1132-M1390 HydrophobicContact CB-SD 4.09Å; L1132-M1390 HydrophobicContact CD1-SD 3.76Å; L1132-M1390 HydrophobicContact CG-SD 4.4Å; K1363-M1390 HydrophobicContact CB-CB 4.17Å; K1363-M1390 HydrophobicContact CB-CG 4.19Å; K1363-M1390 HydrophobicContact CB-SD 4.05Å; K1363-M1390 HydrophobicContact CD-SD 4.17Å; V1367-M1390 HydrophobicContact CG2-CG 3.49Å; V1367-M1390 VanDerWaalsContact CG2-CG 3.49Å; V1367-M1390 HydrophobicContact CG2-SD 4.37Å; A1380-M1390 HydrophobicContact CB-CB 4.46Å; A1380-M1390 HydrophobicContact CB-CE 4.22Å; A1380-M1390 HydrophobicContact CB-CG 3.81Å; A1380-M1390 WeakPolarHBondContact CB-O 3.37Å; I1381-M1390 WeakPolarHBondContact O-CE 3.43Å; D1387-M1390 HydrophobicContact CB-CE 4.11Å; D1387-M1390 WeakPolarHBondContact O-CA 3.44Å; D1387-M1390 VanDerWaalsContact O-CB 3.25Å; D1387-M1390 WeakPolarHBondContact O-CB 3.22Å; D1387-M1390 PolarHBondContact O-N 3.19Å; D1387-M1390 WeakPolarHBondContact OD1-CE 3.38Å; V1388-M1390 VanDerWaalsContact C-N 3.27Å; V1388-M1390 PolarHBondContact O-N 3.32Å; M1390-V1393 PolarHBondContact O-N 3.25Å; M1390-A1394 PolarHBondContact O-N 2.92Å |
| 1391 | I | 88.7 | Confident | 85.8 | Confident | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -63.3 | -43 | 179.2 | -72.5 | 170.4 | 0 | 0 | 0 | 111.9 | K271 A1380 D1387 V1388 G1397 A1409 | K271-I1391 PolarHBondContact NZ-O 2.9Å; K271-I1391 VanDerWaalsContact NZ-O 3.11Å; A1380-I1391 HydrophobicContact CB-CG1 4.44Å; D1387-I1391 HydrophobicContact CB-CD1 4.12Å; D1387-I1391 WeakPolarHBondContact O-CB 3.47Å; D1387-I1391 WeakPolarHBondContact O-CG1 3.38Å; D1387-I1391 PolarHBondContact O-N 3.49Å; V1388-I1391 PolarHBondContact O-N 3.06Å; I1391-G1397 WeakPolarHBondContact O-CA 3.47Å; I1391-A1409 HydrophobicContact CD1-CB 3.68Å |
| 1392 | Q | 86 | Confident | 84.4 | Confident | 31 Ų | 31 | 14 Ų | 14 | 15% | 0.145 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -69.3 | -36 | 178.3 | -73 | -173.6 | -2.8 | 0 | 0 | 113.1 | S266 V1388 | S266-Q1392 PolarHBondContact OG-NE2 2.81Å; S266-Q1392 PolarHBondContact OG-OE1 3.16Å; S266-Q1392 VanDerWaalsContact OG-OE1 3.06Å; V1388-Q1392 HydrophobicContact CG1-CG 4.32Å; V1388-Q1392 WeakPolarHBondContact O-CB 3.42Å; V1388-Q1392 WeakPolarHBondContact O-CG 3.47Å; V1388-Q1392 PolarHBondContact O-N 3.19Å |
| 1393 | V | 88.9 | Confident | 83.1 | Confident | 37 Ų | 37 | 15.1 Ų | 15.1 | 22% | 0.224 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -77.7 | -31.5 | -177.3 | 169.4 | 0 | 0 | 0 | 0 | 112.8 | A1364 V1367 C1368 K1371 N1389 M1390 | A1364-V1393 HydrophobicContact CB-CG2 4.22Å; V1367-V1393 HydrophobicContact CB-CG1 4.33Å; V1367-V1393 HydrophobicContact CG1-CG1 4.16Å; C1368-V1393 HydrophobicContact CB-CG1 3.81Å; K1371-V1393 WeakPolarHBondContact CD-O 3.34Å; K1371-V1393 PolarHBondContact NZ-O 2.63Å; N1389-V1393 WeakPolarHBondContact O-CB 3.34Å; N1389-V1393 VanDerWaalsContact O-CG2 3.27Å; N1389-V1393 WeakPolarHBondContact O-CG2 3.43Å; M1390-V1393 PolarHBondContact O-N 3.25Å |
| 1394 | A | 93 | Very high | 81.4 | Confident | 2 Ų | 2 | 18.9 Ų | 18.9 | 2% | 0.017 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -61.3 | 157.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | K271 V1367 A1380 M1390 V1396 | K271-A1394 PolarHBondContact NZ-O 3.3Å; V1367-A1394 HydrophobicContact CG1-CB 3.92Å; A1380-A1394 HydrophobicContact CB-CB 3.58Å; M1390-A1394 PolarHBondContact O-N 2.92Å; A1394-V1396 VanDerWaalsContact C-N 3.27Å; A1394-V1396 VanDerWaalsContact CB-O 3.28Å; A1394-V1396 WeakPolarHBondContact CB-O 3.22Å; A1394-V1396 PolarHBondContact O-N 3.02Å |
| 1395 | N | 94 | Very high | 80.4 | Confident | 20 Ų | 20 | 20.2 Ų | 20.2 | 11% | 0.107 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -61.8 | -39.5 | 170.9 | -64 | 99 | 0 | 0 | 0 | 111.2 | K271 Q1377 T1378 | K271-N1395 VanDerWaalsContact CD-O 3.25Å; K271-N1395 WeakPolarHBondContact CD-O 3.4Å; Q1377-N1395 PolarHBondContact NE2-ND2 3Å; Q1377-N1395 PolarHBondContact NE2-OD1 3.49Å; T1378-N1395 PolarHBondContact N-OD1 2.93Å; T1378-N1395 WeakPolarHBondContact O-CA 3.44Å; T1378-N1395 WeakPolarHBondContact O-CB 3.2Å; T1378-N1395 PolarHBondContact O-N 2.96Å; T1378-N1395 PolarHBondContact OG1-N 3.27Å; T1378-N1395 VanDerWaalsContact OG1-N 3.11Å; T1378-N1395 PolarHBondContact OG1-OD1 2.97Å |
| 1396 | V | 94.9 | Very high | 80 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 127.8 | 170.2 | -179.6 | 0 | 0 | 0 | 0 | 109 | I387 D390 L391 I394 T1378 L1379 A1380 A1394 I1398 D1414 F1415 | I387-V1396 HydrophobicContact CD1-CG2 4.29Å; D390-V1396 HydrophobicContact CB-CG2 4.02Å; L391-V1396 HydrophobicContact CD2-CG1 3.89Å; I394-V1396 HydrophobicContact CD1-CB 4.36Å; I394-V1396 HydrophobicContact CD1-CG2 3.97Å; T1378-V1396 PolarHBondContact O-N 3.15Å; L1379-V1396 CarbonylContact C-O 3.46Å; L1379-V1396 VanDerWaalsContact CA-O 3.24Å; L1379-V1396 WeakPolarHBondContact CA-O 3.46Å; L1379-V1396 HydrophobicContact CD1-CB 4.45Å; L1379-V1396 HydrophobicContact CD1-CG1 4.29Å; L1379-V1396 HydrophobicContact CG-CB 4.37Å; L1379-V1396 HydrophobicContact CG-CG1 4.44Å; A1380-V1396 PolarHBondContact N-O 3.21Å; A1394-V1396 VanDerWaalsContact C-N 3.27Å; A1394-V1396 VanDerWaalsContact CB-O 3.28Å; A1394-V1396 WeakPolarHBondContact CB-O 3.22Å; A1394-V1396 PolarHBondContact O-N 3.02Å; V1396-I1398 HydrophobicContact CG1-CG1 4.1Å; V1396-D1414 WeakPolarHBondContact CA-OD2 3.36Å; V1396-F1415 HydrophobicContact CG1-CD2 3.71Å; V1396-F1415 HydrophobicContact CG1-CE2 3.79Å |
| 1397 | G | 93.3 | Very high | 79.6 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 132.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | A1380 I1391 D1414 F1415 | A1380-G1397 CarbonylContact O-C 3.58Å; A1380-G1397 WeakPolarHBondContact O-CA 3.35Å; I1391-G1397 WeakPolarHBondContact O-CA 3.47Å; G1397-D1414 PolarHBondContact N-OD2 2.91Å; G1397-D1414 WeakPolarHBondContact O-CB 3.49Å; G1397-D1414 PolarHBondContact O-N 3.33Å; G1397-F1415 PolarHBondContact O-N 2.85Å |
| 1398 | I | 93.4 | Very high | 78.9 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 126.1 | 179.3 | -59.5 | -167.3 | 0 | 0 | 0 | 110.6 | L1379 A1380 I1381 G1382 V1396 F1415 I1417 L1423 L1426 | L1379-I1398 HydrophobicContact CD1-CD1 3.74Å; L1379-I1398 HydrophobicContact CD1-CG1 4.36Å; L1379-I1398 HydrophobicContact CD2-CD1 4.21Å; L1379-I1398 HydrophobicContact CD2-CG1 4.4Å; L1379-I1398 HydrophobicContact CG-CD1 4.22Å; L1379-I1398 HydrophobicContact CG-CG1 4.36Å; A1380-I1398 PolarHBondContact O-N 3.44Å; I1381-I1398 WeakPolarHBondContact CA-O 3.37Å; I1381-I1398 HydrophobicContact CB-CB 4.2Å; I1381-I1398 HydrophobicContact CD1-CB 4.22Å; I1381-I1398 HydrophobicContact CD1-CG2 3.74Å; I1381-I1398 HydrophobicContact CG1-CB 3.99Å; I1381-I1398 HydrophobicContact CG1-CG2 3.89Å; G1382-I1398 PolarHBondContact N-O 3.43Å; G1382-I1398 VanDerWaalsContact N-O 3.16Å; V1396-I1398 HydrophobicContact CG1-CG1 4.1Å; I1398-F1415 CarbonylContact C-O 3.58Å; I1398-F1415 WeakPolarHBondContact CA-O 3.45Å; I1398-F1415 HydrophobicContact CG1-CB 4.36Å; I1398-F1415 WeakPolarHBondContact CG2-O 3.45Å; I1398-I1417 HydrophobicContact CG2-CD1 4.05Å; I1398-I1417 HydrophobicContact CG2-CG1 3.91Å; I1398-L1423 HydrophobicContact CD1-CD1 3.61Å; I1398-L1426 HydrophobicContact CD1-CD2 3.86Å |
| 1399 | G | 89.8 | Confident | 78.7 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 134.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | G1382 S1413 F1415 A1416 I1417 | G1382-G1399 CarbonylContact O-C 3.55Å; G1382-G1399 VanDerWaalsContact O-CA 3.31Å; G1382-G1399 WeakPolarHBondContact O-CA 3.44Å; G1399-S1413 PolarHBondContact N-OG 2.87Å; G1399-F1415 PolarHBondContact N-O 2.83Å; G1399-A1416 CarbonylContact O-C 3.58Å; G1399-A1416 WeakPolarHBondContact O-CA 3.49Å; G1399-I1417 PolarHBondContact O-N 3.01Å |
| 1400 | I | 88.2 | Confident | 78.4 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 125.9 | 164.1 | -78.3 | 179.7 | 0 | 0 | 0 | 109.7 | T404 I1381 G1382 D1383 S1402 G1406 I1417 F1420 | T404-I1400 HydrophobicContact CG2-CD1 4.02Å; I1381-I1400 HydrophobicContact CD1-CD1 3.75Å; I1381-I1400 HydrophobicContact CD1-CG1 3.87Å; I1381-I1400 HydrophobicContact CG1-CD1 4Å; I1381-I1400 HydrophobicContact CG1-CG1 3.97Å; G1382-I1400 PolarHBondContact O-N 3.4Å; D1383-I1400 HydrophobicContact CB-CB 3.92Å; D1383-I1400 HydrophobicContact CB-CG2 4.05Å; D1383-I1400 VanDerWaalsContact CB-O 3.29Å; D1383-I1400 WeakPolarHBondContact CB-O 3.29Å; I1400-S1402 PolarHBondContact O-N 2.73Å; I1400-G1406 WeakPolarHBondContact O-CA 3.41Å; I1400-I1417 CarbonylContact C-O 3.59Å; I1400-I1417 VanDerWaalsContact CA-O 3.3Å; I1400-I1417 WeakPolarHBondContact CA-O 3.44Å; I1400-I1417 HydrophobicContact CG1-CG1 4.1Å; I1400-F1420 HydrophobicContact CD1-CB 4.08Å; I1400-F1420 HydrophobicContact CD1-CD2 4.17Å |
| 1401 | N | 76.6 | Confident | 77.6 | Confident | 12 Ų | 12 | 22.8 Ų | 22.8 | 6% | 0.064 | 12% | 0.122 | C | C | . | . | trans | -100.8 | 58.7 | -172.2 | -159.5 | -10.9 | 0 | 0 | 0 | 110.6 | R378 V1410 I1417 | R378-N1401 PolarHBondContact NH1-OD1 3.01Å; N1401-V1410 HydrophobicContact CB-CG2 3.64Å; N1401-I1417 PolarHBondContact N-O 3.12Å | ||
| 1402 | S | 66.3 | Low | 76.8 | Confident | 29 Ų | 29 | 23 Ų | 23 | 20% | 0.203 | 12% | 0.123 | C | C | . | . | trans | -73.7 | -27.2 | -170 | 44.3 | 0 | 0 | 0 | 0 | 114.8 | D1383 I1400 | D1383-S1402 PolarHBondContact OD2-OG 3.43Å; I1400-S1402 PolarHBondContact O-N 2.73Å | ||
| 1403 | G | 61.7 | Low | 76.8 | Confident | 23 Ų | 23 | 21.5 Ų | 21.5 | 24% | 0.237 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -168.2 | -137.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R378 | R378-G1403 PolarHBondContact NH1-O 3.43Š|
| 1404 | E | 49.9 | Very low | 76.7 | Confident | 87 Ų | 87 | 19.8 Ų | 19.8 | 41% | 0.407 | 11% | 0.106 | S | C | . | . | S | Bend | trans | -81 | -36.7 | 161.8 | -55.1 | -154.6 | 92.3 | 0 | 0 | 110.2 | N174 R243 G1406 M1407 | N174-E1404 PolarHBondContact OD1-O 3.29Å; R243-E1404 IonicContact CZ-OE2 2.72Å; R243-E1404 IonicContact NH2-OE2 2.71Å; R243-E1404 PolarHBondContact NH2-OE2 3.26Å; E1404-G1406 VanDerWaalsContact C-N 3.3Å; E1404-G1406 PolarHBondContact O-N 3.33Å; E1404-M1407 VanDerWaalsContact O-CB 3.24Å; E1404-M1407 WeakPolarHBondContact O-CB 3.24Å; E1404-M1407 PolarHBondContact O-N 3.49Å |
| 1405 | E | 51.9 | Low | 76.6 | Confident | 33 Ų | 33 | 19.7 Ų | 19.7 | 15% | 0.154 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | -43.9 | 179.4 | -25.3 | -156.4 | 64.3 | 0 | 0 | 114.1 | S179 M1407 | S179-E1405 WeakPolarHBondContact CA-OE1 3.35Å; S179-E1405 VanDerWaalsContact CB-OE1 3.24Å; S179-E1405 WeakPolarHBondContact CB-OE1 3.39Å; S179-E1405 PolarHBondContact N-OE1 3.43Å; E1405-M1407 PolarHBondContact O-N 3.13Å |
| 1406 | G | 59.7 | Low | 76.5 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -16 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | D1383 I1400 E1404 Q1408 A1409 V1410 | D1383-G1406 WeakPolarHBondContact O-CA 3.34Å; I1400-G1406 WeakPolarHBondContact O-CA 3.41Å; E1404-G1406 VanDerWaalsContact C-N 3.3Å; E1404-G1406 PolarHBondContact O-N 3.33Å; G1406-Q1408 VanDerWaalsContact C-N 3.27Å; G1406-Q1408 PolarHBondContact O-N 3.15Å; G1406-A1409 PolarHBondContact O-N 2.97Å; G1406-V1410 VanDerWaalsContact O-CB 3.29Å; G1406-V1410 WeakPolarHBondContact O-CB 3.49Å; G1406-V1410 WeakPolarHBondContact O-CG2 3.12Å; G1406-V1410 PolarHBondContact O-N 3.37Å |
| 1407 | M | 64.9 | Low | 76.3 | Confident | 71 Ų | 71 | 18.9 Ų | 18.9 | 35% | 0.35 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -61.5 | -32.6 | -170 | -164.2 | 61 | 57 | 0 | 0 | 113.2 | E1404 E1405 M1411 | E1404-M1407 VanDerWaalsContact O-CB 3.24Å; E1404-M1407 WeakPolarHBondContact O-CB 3.24Å; E1404-M1407 PolarHBondContact O-N 3.49Å; E1405-M1407 PolarHBondContact O-N 3.13Å; M1407-M1411 HydrophobicContact CG-CG 4.39Å; M1407-M1411 HydrophobicContact CG-SD 4.27Å; M1407-M1411 WeakPolarHBondContact O-CB 3.2Å; M1407-M1411 VanDerWaalsContact O-CG 3.29Å; M1407-M1411 WeakPolarHBondContact O-CG 3.3Å; M1407-M1411 PolarHBondContact O-N 3.27Å; M1407-M1411 HydrophobicContact SD-CG 4.38Å |
| 1408 | Q | 67.5 | Low | 76.1 | Confident | 25 Ų | 25 | 18.9 Ų | 18.9 | 12% | 0.117 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.7 | -56.9 | 175.7 | -83.4 | -94.7 | -20.8 | 0 | 0 | 112.2 | N174 A1385 V1388 G1406 V1410 M1411 A1412 | N174-Q1408 VanDerWaalsContact C-CG 3.48Å; N174-Q1408 WeakPolarHBondContact O-CG 3.45Å; N174-Q1408 PolarHBondContact O-NE2 3.49Å; A1385-Q1408 HydrophobicContact CB-CB 3.7Å; A1385-Q1408 HydrophobicContact CB-CG 3.75Å; V1388-Q1408 HydrophobicContact CG2-CB 4.39Å; G1406-Q1408 VanDerWaalsContact C-N 3.27Å; G1406-Q1408 PolarHBondContact O-N 3.15Å; Q1408-V1410 VanDerWaalsContact C-N 3.31Å; Q1408-V1410 PolarHBondContact O-N 2.89Å; Q1408-M1411 PolarHBondContact O-N 2.91Å; Q1408-A1412 PolarHBondContact O-N 3.11Å; Q1408-A1412 VanDerWaalsContact O-N 3.15Å |
| 1409 | A | 74.5 | Confident | 76 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.9 | -40.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | G1382 D1383 I1391 G1406 A1412 S1413 | G1382-A1409 WeakPolarHBondContact O-CB 3.31Å; D1383-A1409 VanDerWaalsContact C-CB 3.47Å; D1383-A1409 WeakPolarHBondContact O-CB 3.31Å; I1391-A1409 HydrophobicContact CD1-CB 3.68Å; G1406-A1409 PolarHBondContact O-N 2.97Å; A1409-A1412 PolarHBondContact O-N 3.3Å; A1409-S1413 WeakPolarHBondContact O-CB 3.36Å; A1409-S1413 PolarHBondContact O-N 3.42Å |
| 1410 | V | 76 | Confident | 76.2 | Confident | 3 Ų | 3 | 21.4 Ų | 21.4 | 2% | 0.018 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -55.1 | -55.8 | 173.8 | 165.2 | 0 | 0 | 0 | 0 | 111.1 | H383 N1401 G1406 Q1408 A1412 S1413 A1416 | H383-V1410 PolarHBondContact NE2-O 3.16Å; N1401-V1410 HydrophobicContact CB-CG2 3.64Å; G1406-V1410 VanDerWaalsContact O-CB 3.29Å; G1406-V1410 WeakPolarHBondContact O-CB 3.49Å; G1406-V1410 WeakPolarHBondContact O-CG2 3.12Å; G1406-V1410 PolarHBondContact O-N 3.37Å; Q1408-V1410 VanDerWaalsContact C-N 3.31Å; Q1408-V1410 PolarHBondContact O-N 2.89Å; V1410-A1412 PolarHBondContact O-N 2.95Å; V1410-S1413 PolarHBondContact O-N 2.85Å; V1410-S1413 VanDerWaalsContact O-N 3.08Å; V1410-S1413 PolarHBondContact O-OG 3.15Å; V1410-A1416 HydrophobicContact CB-CB 4.23Å; V1410-A1416 HydrophobicContact CG1-CB 3.75Å; V1410-A1416 HydrophobicContact CG2-CB 3.94Å |
| 1411 | M | 70.4 | Confident | 76.4 | Confident | 106 Ų | 106 | 25.6 Ų | 25.6 | 52% | 0.522 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -63.9 | -26 | -178.2 | -75 | -172.9 | 69.9 | 0 | 0 | 114.1 | M1407 Q1408 | M1407-M1411 HydrophobicContact CG-CG 4.39Å; M1407-M1411 HydrophobicContact CG-SD 4.27Å; M1407-M1411 WeakPolarHBondContact O-CB 3.2Å; M1407-M1411 VanDerWaalsContact O-CG 3.29Å; M1407-M1411 WeakPolarHBondContact O-CG 3.3Å; M1407-M1411 PolarHBondContact O-N 3.27Å; M1407-M1411 HydrophobicContact SD-CG 4.38Å; Q1408-M1411 PolarHBondContact O-N 2.91Å |
| 1412 | A | 72.7 | Confident | 77.3 | Confident | 3 Ų | 3 | 25.1 Ų | 25.1 | 3% | 0.025 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -92 | -7.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | V1388 Q1408 A1409 V1410 | V1388-A1412 HydrophobicContact CB-CB 4.32Å; V1388-A1412 HydrophobicContact CG1-CB 3.68Å; V1388-A1412 HydrophobicContact CG2-CB 3.96Å; Q1408-A1412 PolarHBondContact O-N 3.11Å; Q1408-A1412 VanDerWaalsContact O-N 3.15Å; A1409-A1412 PolarHBondContact O-N 3.3Å; V1410-A1412 PolarHBondContact O-N 2.95Å |
| 1413 | S | 84.3 | Confident | 78.6 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -83.2 | 161.9 | -176.1 | 71.2 | 0 | 0 | 0 | 0 | 113.8 | H383 G1399 A1409 V1410 F1415 | H383-S1413 WeakPolarHBondContact CB-O 3.42Å; H383-S1413 PolarHBondContact CD2-O 3.18Å; G1399-S1413 PolarHBondContact N-OG 2.87Å; A1409-S1413 WeakPolarHBondContact O-CB 3.36Å; A1409-S1413 PolarHBondContact O-N 3.42Å; V1410-S1413 PolarHBondContact O-N 2.85Å; V1410-S1413 VanDerWaalsContact O-N 3.08Å; V1410-S1413 PolarHBondContact O-OG 3.15Å; S1413-F1415 PolarHBondContact OG-O 2.99Å; S1413-F1415 VanDerWaalsContact OG-O 3.14Å |
| 1414 | D | 88.2 | Confident | 80.3 | Confident | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.011 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -80.2 | -35.9 | 169.3 | -60.8 | -56.6 | 0 | 0 | 0 | 110.9 | K271 H383 A384 I387 V1396 G1397 | K271-D1414 WeakPolarHBondContact CE-OD1 3.36Å; K271-D1414 VanDerWaalsContact CE-OD2 3.27Å; K271-D1414 WeakPolarHBondContact CE-OD2 3.18Å; K271-D1414 IonicContact NZ-OD1 2.9Å; K271-D1414 IonicContact NZ-OD2 3.73Å; K271-D1414 PolarHBondContact NZ-OD2 2.83Å; H383-D1414 PolarHBondContact N-O 2.91Å; A384-D1414 HydrophobicContact CB-CB 3.66Å; A384-D1414 WeakPolarHBondContact CB-OD1 3.49Å; A384-D1414 PolarHBondContact N-O 3.35Å; I387-D1414 HydrophobicContact CD1-CB 4.04Å; V1396-D1414 WeakPolarHBondContact CA-OD2 3.36Å; G1397-D1414 PolarHBondContact N-OD2 2.91Å; G1397-D1414 WeakPolarHBondContact O-CB 3.49Å; G1397-D1414 PolarHBondContact O-N 3.33Å |
| 1415 | F | 91.3 | Very high | 82.5 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 137.5 | 179.7 | -53.8 | -98.2 | 0 | 0 | 0 | 110 | M365 I382 I387 L391 V1396 G1397 I1398 G1399 S1413 | M365-F1415 HydrophobicContact CE-CE1 4.11Å; I382-F1415 HydrophobicContact CB-CD1 4.31Å; I382-F1415 HydrophobicContact CD1-CD1 3.97Å; I382-F1415 HydrophobicContact CD1-CE1 4.17Å; I382-F1415 HydrophobicContact CG1-CD1 3.84Å; I382-F1415 HydrophobicContact CG1-CE1 4.38Å; I382-F1415 HydrophobicContact CG2-CD1 3.77Å; I382-F1415 HydrophobicContact CG2-CE1 3.71Å; I387-F1415 HydrophobicContact CD1-CE2 4.44Å; I387-F1415 HydrophobicContact CG1-CE2 4.26Å; I387-F1415 HydrophobicContact CG1-CZ 4.46Å; L391-F1415 HydrophobicContact CD1-CD1 4.21Å; L391-F1415 HydrophobicContact CD1-CE1 3.65Å; L391-F1415 HydrophobicContact CD1-CE2 4.08Å; L391-F1415 HydrophobicContact CD1-CZ 3.59Å; L391-F1415 HydrophobicContact CD2-CD2 4.34Å; L391-F1415 HydrophobicContact CD2-CE2 4.15Å; L391-F1415 HydrophobicContact CD2-CZ 4.49Å; L391-F1415 HydrophobicContact CG-CE2 4.08Å; L391-F1415 HydrophobicContact CG-CZ 4Å; V1396-F1415 HydrophobicContact CG1-CD2 3.71Å; V1396-F1415 HydrophobicContact CG1-CE2 3.79Å; G1397-F1415 PolarHBondContact O-N 2.85Å; I1398-F1415 CarbonylContact C-O 3.58Å; I1398-F1415 WeakPolarHBondContact CA-O 3.45Å; I1398-F1415 HydrophobicContact CG1-CB 4.36Å; I1398-F1415 WeakPolarHBondContact CG2-O 3.45Å; G1399-F1415 PolarHBondContact N-O 2.83Å; S1413-F1415 PolarHBondContact OG-O 2.99Å; S1413-F1415 VanDerWaalsContact OG-O 3.14Å |
| 1416 | A | 90.3 | Very high | 84.6 | Confident | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.008 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 124.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | I380 E381 G1399 V1410 | I380-A1416 CarbonylContact C-O 3.5Å; I380-A1416 VanDerWaalsContact CA-O 3.3Å; I380-A1416 WeakPolarHBondContact CA-O 3.25Å; I380-A1416 WeakPolarHBondContact CG1-O 3.32Å; E381-A1416 HydrophobicContact CB-CB 4.28Å; E381-A1416 PolarHBondContact N-O 3.34Å; E381-A1416 PolarHBondContact O-N 3.32Å; G1399-A1416 CarbonylContact O-C 3.58Å; G1399-A1416 WeakPolarHBondContact O-CA 3.49Å; V1410-A1416 HydrophobicContact CB-CB 4.23Å; V1410-A1416 HydrophobicContact CG1-CB 3.75Å; V1410-A1416 HydrophobicContact CG2-CB 3.94Å |
| 1417 | I | 92.3 | Very high | 86.4 | Confident | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 151.8 | 177.6 | 64 | 179.8 | 0 | 0 | 0 | 110.3 | I380 I1381 I1398 G1399 I1400 N1401 R1419 L1422 L1423 L1426 | I380-I1417 HydrophobicContact CD1-CG2 4.02Å; I380-I1417 HydrophobicContact CG1-CG2 4.06Å; I1381-I1417 HydrophobicContact CD1-CD1 3.98Å; I1398-I1417 HydrophobicContact CG2-CD1 4.05Å; I1398-I1417 HydrophobicContact CG2-CG1 3.91Å; G1399-I1417 PolarHBondContact O-N 3.01Å; I1400-I1417 CarbonylContact C-O 3.59Å; I1400-I1417 VanDerWaalsContact CA-O 3.3Å; I1400-I1417 WeakPolarHBondContact CA-O 3.44Å; I1400-I1417 HydrophobicContact CG1-CG1 4.1Å; N1401-I1417 PolarHBondContact N-O 3.12Å; I1417-R1419 WeakPolarHBondContact CD1-O 3.49Å; I1417-L1422 HydrophobicContact CB-CB 4.41Å; I1417-L1422 HydrophobicContact CB-CD1 4.47Å; I1417-L1422 HydrophobicContact CD1-CB 4.37Å; I1417-L1423 HydrophobicContact CD1-CB 4.11Å; I1417-L1426 HydrophobicContact CG2-CD2 4.08Å |
| 1418 | S | 89 | Confident | 87.9 | Confident | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.007 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -78.4 | -29.7 | -178.3 | 40.7 | 0 | 0 | 0 | 0 | 114.4 | D373 L1422 | D373-S1418 WeakPolarHBondContact CB-OG 3.3Å; S1418-L1422 VanDerWaalsContact OG-CD1 3.3Å; S1418-L1422 WeakPolarHBondContact OG-CD1 3.29Å |
| 1419 | R | 91 | Very high | 89.2 | Confident | 52 Ų | 52 | 16.6 Ų | 16.6 | 20% | 0.196 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -144.5 | 148.1 | -173.7 | -60 | -66 | -178.4 | 172.5 | 0.5 | 111.6 | D373 I1417 Y1421 L1422 | D373-R1419 VanDerWaalsContact OD2-CG 3.26Å; D373-R1419 WeakPolarHBondContact OD2-CG 3.48Å; D373-R1419 IonicContact OD2-CZ 3.39Å; D373-R1419 IonicContact OD2-NE 2.65Å; D373-R1419 PolarHBondContact OD2-NE 2.98Å; D373-R1419 IonicContact OD2-NH2 3.86Å; I1417-R1419 WeakPolarHBondContact CD1-O 3.49Å; R1419-Y1421 VanDerWaalsContact C-N 3.32Å; R1419-Y1421 HydrophobicContact CB-CD1 3.67Å; R1419-Y1421 HydrophobicContact CB-CE1 3.57Å; R1419-Y1421 HydrophobicContact CG-CD1 4.45Å; R1419-Y1421 HydrophobicContact CG-CE1 3.94Å; R1419-Y1421 PolarHBondContact O-N 2.84Å; R1419-L1422 HydrophobicContact CB-CG 4.46Å; R1419-L1422 WeakPolarHBondContact O-CB 3.42Å; R1419-L1422 PolarHBondContact O-N 3.3Å |
| 1420 | F | 93.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -40.4 | -177.3 | -171.7 | -88.7 | 0 | 0 | 0 | 113.4 | T404 L405 V1115 T1118 I1119 I1381 I1400 L1422 L1423 | T404-F1420 HydrophobicContact CG2-CD2 4.38Å; L405-F1420 HydrophobicContact CD2-CD1 4.34Å; L405-F1420 HydrophobicContact CD2-CD2 3.85Å; L405-F1420 HydrophobicContact CD2-CE1 4.06Å; L405-F1420 HydrophobicContact CD2-CE2 3.55Å; L405-F1420 HydrophobicContact CD2-CG 4.25Å; L405-F1420 HydrophobicContact CD2-CZ 3.67Å; V1115-F1420 HydrophobicContact CB-CD1 4.4Å; V1115-F1420 HydrophobicContact CG2-CB 3.95Å; V1115-F1420 HydrophobicContact CG2-CD1 3.77Å; V1115-F1420 HydrophobicContact CG2-CG 4.04Å; T1118-F1420 HydrophobicContact CG2-CD1 3.91Å; T1118-F1420 HydrophobicContact CG2-CE1 3.59Å; I1119-F1420 HydrophobicContact CD1-CE1 4.4Å; I1119-F1420 HydrophobicContact CD1-CZ 4.43Å; I1119-F1420 HydrophobicContact CG1-CE1 4Å; I1119-F1420 HydrophobicContact CG1-CZ 4.14Å; I1381-F1420 HydrophobicContact CD1-CD2 4.27Å; I1381-F1420 HydrophobicContact CG2-CE2 4.17Å; I1400-F1420 HydrophobicContact CD1-CB 4.08Å; I1400-F1420 HydrophobicContact CD1-CD2 4.17Å; F1420-L1422 PolarHBondContact O-N 3.45Å; F1420-L1422 VanDerWaalsContact O-N 3.08Å; F1420-L1423 HydrophobicContact CE2-CD2 4.33Å; F1420-L1423 HydrophobicContact CZ-CD2 4.29Å; F1420-L1423 WeakPolarHBondContact O-CB 3.29Å; F1420-L1423 PolarHBondContact O-N 2.85Å |
| 1421 | Y | 92.9 | Very high | 91.1 | Very high | 89 Ų | 89 | 17.6 Ų | 17.6 | 35% | 0.349 | 8% | 0.078 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.3 | -176.4 | 78.7 | -94.4 | 0 | 0 | 0 | 114.2 | N1113 T1118 R1419 L1423 K1424 | N1113-Y1421 WeakPolarHBondContact O-CD1 3.07Å; T1118-Y1421 WeakPolarHBondContact OG1-CA 3.35Å; R1419-Y1421 VanDerWaalsContact C-N 3.32Å; R1419-Y1421 HydrophobicContact CB-CD1 3.67Å; R1419-Y1421 HydrophobicContact CB-CE1 3.57Å; R1419-Y1421 HydrophobicContact CG-CD1 4.45Å; R1419-Y1421 HydrophobicContact CG-CE1 3.94Å; R1419-Y1421 PolarHBondContact O-N 2.84Å; Y1421-L1423 PolarHBondContact O-N 3.1Å; Y1421-K1424 VanDerWaalsContact O-CB 3.3Å; Y1421-K1424 WeakPolarHBondContact O-CB 3.3Å; Y1421-K1424 PolarHBondContact O-N 3.43Å |
| 1422 | L | 94.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 12.6 Ų | 12.6 | 1% | 0.01 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -66.9 | -23.6 | 176.1 | -58.9 | 178.2 | 0 | 0 | 0 | 112.2 | Q370 L371 I1417 S1418 R1419 F1420 K1424 R1425 L1426 | Q370-L1422 WeakPolarHBondContact O-CD2 3.47Å; L371-L1422 HydrophobicContact CD2-CB 4.17Å; I1417-L1422 HydrophobicContact CB-CB 4.41Å; I1417-L1422 HydrophobicContact CB-CD1 4.47Å; I1417-L1422 HydrophobicContact CD1-CB 4.37Å; S1418-L1422 VanDerWaalsContact OG-CD1 3.3Å; S1418-L1422 WeakPolarHBondContact OG-CD1 3.29Å; R1419-L1422 HydrophobicContact CB-CG 4.46Å; R1419-L1422 WeakPolarHBondContact O-CB 3.42Å; R1419-L1422 PolarHBondContact O-N 3.3Å; F1420-L1422 PolarHBondContact O-N 3.45Å; F1420-L1422 VanDerWaalsContact O-N 3.08Å; L1422-K1424 PolarHBondContact O-N 3.38Å; L1422-R1425 PolarHBondContact O-N 3.33Å; L1422-R1425 VanDerWaalsContact O-N 3.08Å; L1422-L1426 PolarHBondContact O-N 3.18Å |
| 1423 | L | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -56.1 | -35.9 | 174.7 | -171.9 | 62.1 | 0 | 0 | 0 | 111.8 | L1122 L1379 I1381 I1398 I1417 F1420 Y1421 R1425 L1426 L1427 | L1122-L1423 HydrophobicContact CD1-CD2 4.03Å; L1379-L1423 HydrophobicContact CD1-CD1 4.34Å; L1379-L1423 HydrophobicContact CD2-CD1 4.48Å; I1381-L1423 HydrophobicContact CD1-CD2 4.1Å; I1398-L1423 HydrophobicContact CD1-CD1 3.61Å; I1417-L1423 HydrophobicContact CD1-CB 4.11Å; F1420-L1423 HydrophobicContact CE2-CD2 4.33Å; F1420-L1423 HydrophobicContact CZ-CD2 4.29Å; F1420-L1423 WeakPolarHBondContact O-CB 3.29Å; F1420-L1423 PolarHBondContact O-N 2.85Å; Y1421-L1423 PolarHBondContact O-N 3.1Å; L1423-R1425 VanDerWaalsContact C-N 3.32Å; L1423-R1425 PolarHBondContact O-N 3.42Å; L1423-L1426 PolarHBondContact O-N 2.89Å; L1423-L1427 HydrophobicContact CD1-CD1 3.72Å; L1423-L1427 HydrophobicContact CD1-CG 3.97Å; L1423-L1427 HydrophobicContact CG-CD1 3.85Å; L1423-L1427 HydrophobicContact CG-CG 4.4Å; L1423-L1427 PolarHBondContact O-N 3.15Å |
| 1424 | K | 95.7 | Very high | 93.8 | Very high | 53 Ų | 53 | 13 Ų | 13 | 23% | 0.23 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -55.1 | -45.7 | 175.5 | -169.7 | 172.2 | -177.6 | 158.4 | 0 | 111.8 | E1117 T1118 A1121 Y1421 L1422 L1428 L1504 | E1117-K1424 PolarHBondContact O-NZ 3.42Å; T1118-K1424 HydrophobicContact CG2-CB 3.99Å; A1121-K1424 HydrophobicContact CB-CD 4.1Å; A1121-K1424 VanDerWaalsContact CB-CE 3.43Å; A1121-K1424 HydrophobicContact CB-CG 4.29Å; Y1421-K1424 VanDerWaalsContact O-CB 3.3Å; Y1421-K1424 WeakPolarHBondContact O-CB 3.3Å; Y1421-K1424 PolarHBondContact O-N 3.43Å; L1422-K1424 PolarHBondContact O-N 3.38Å; K1424-L1428 HydrophobicContact CG-CD1 3.9Å; K1424-L1428 WeakPolarHBondContact O-CB 3.49Å; K1424-L1428 WeakPolarHBondContact O-CG 3.15Å; K1424-L1428 PolarHBondContact O-N 3.46Å; K1424-L1428 VanDerWaalsContact O-N 3.17Å; K1424-L1504 HydrophobicContact CG-CD2 4.18Å |
| 1425 | R | 96.1 | Very high | 94.1 | Very high | 23 Ų | 23 | 13.1 Ų | 13.1 | 9% | 0.087 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -80.7 | -36.9 | -179.9 | -174.6 | 172.3 | 174.6 | 90.6 | 6.8 | 112.3 | D368 Q370 L371 L1422 L1423 L1427 V1429 H1430 D1500 L1504 | D368-R1425 IonicContact OD1-CZ 2.92Å; D368-R1425 IonicContact OD1-NE 3.72Å; D368-R1425 IonicContact OD1-NH2 2.64Å; D368-R1425 IonicContact OD2-CZ 3.21Å; D368-R1425 IonicContact OD2-NE 2.74Å; D368-R1425 PolarHBondContact OD2-NE 3.36Å; D368-R1425 IonicContact OD2-NH2 3.87Å; D368-R1425 PolarHBondContact OD2-NH2 3.38Å; Q370-R1425 VanDerWaalsContact CB-CD 3.43Å; Q370-R1425 VanDerWaalsContact CD-NH1 3.34Å; L371-R1425 HydrophobicContact CD2-CB 4.08Å; L371-R1425 HydrophobicContact CD2-CG 4.29Å; L1422-R1425 PolarHBondContact O-N 3.33Å; L1422-R1425 VanDerWaalsContact O-N 3.08Å; L1423-R1425 VanDerWaalsContact C-N 3.32Å; L1423-R1425 PolarHBondContact O-N 3.42Å; R1425-L1427 PolarHBondContact O-N 3.17Å; R1425-V1429 HydrophobicContact CG-CB 4.26Å; R1425-V1429 HydrophobicContact CG-CG2 4.04Å; R1425-V1429 WeakPolarHBondContact O-CB 3.49Å; R1425-V1429 PolarHBondContact O-N 3.24Å; R1425-H1430 PolarHBondContact O-N 3Å; R1425-D1500 IonicContact CZ-OD2 2.71Å; R1425-D1500 VanDerWaalsContact CZ-OD2 3.31Å; R1425-D1500 IonicContact NH1-OD2 3.59Å; R1425-D1500 PolarHBondContact NH1-OD2 2.96Å; R1425-D1500 IonicContact NH2-OD2 3.37Å; R1425-D1500 PolarHBondContact NH2-OD2 3.23Å; R1425-L1504 HydrophobicContact CB-CD2 4.25Å |
| 1426 | L | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.057 | C | C | . | . | I | π-helix | trans | -58.5 | -47 | 177.2 | -178 | 57.8 | 0 | 0 | 0 | 111.7 | M365 L371 I380 L391 I1398 I1417 L1422 L1423 H1430 G1431 | M365-L1426 HydrophobicContact SD-CD1 3.79Å; L371-L1426 HydrophobicContact CD1-CD1 4.47Å; I380-L1426 HydrophobicContact CD1-CD1 3.71Å; I380-L1426 HydrophobicContact CD1-CD2 4.09Å; I380-L1426 HydrophobicContact CD1-CG 4.5Å; L391-L1426 HydrophobicContact CD1-CD1 3.92Å; L391-L1426 HydrophobicContact CD1-CG 4.26Å; L391-L1426 HydrophobicContact CD2-CG 4.45Å; I1398-L1426 HydrophobicContact CD1-CD2 3.86Å; I1417-L1426 HydrophobicContact CG2-CD2 4.08Å; L1422-L1426 PolarHBondContact O-N 3.18Å; L1423-L1426 PolarHBondContact O-N 2.89Å; L1426-H1430 WeakPolarHBondContact O-CB 3.09Å; L1426-H1430 PolarHBondContact O-N 2.95Å; L1426-G1431 PolarHBondContact O-N 2.96Å |
| 1427 | L | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 6% | 0.06 | C | C | . | . | I | π-helix | trans | -80 | -56.3 | -179.8 | -62.7 | 173.8 | 0 | 0 | 0 | 112.6 | L391 I394 L1122 M1127 L1379 L1423 R1425 V1429 G1431 H1432 Y1510 | L391-L1427 HydrophobicContact CB-CD2 4.22Å; L391-L1427 HydrophobicContact CD2-CD2 3.74Å; L391-L1427 WeakPolarHBondContact O-CD2 3.47Å; I394-L1427 HydrophobicContact CG1-CD2 4.06Å; L1122-L1427 HydrophobicContact CD2-CD1 3.91Å; M1127-L1427 HydrophobicContact CE-CB 4.15Å; M1127-L1427 HydrophobicContact CE-CD1 3.89Å; M1127-L1427 HydrophobicContact SD-CD1 4.01Å; L1379-L1427 HydrophobicContact CD1-CD1 4.13Å; L1379-L1427 HydrophobicContact CD1-CD2 3.8Å; L1379-L1427 HydrophobicContact CD1-CG 4.48Å; L1423-L1427 HydrophobicContact CD1-CD1 3.72Å; L1423-L1427 HydrophobicContact CD1-CG 3.97Å; L1423-L1427 HydrophobicContact CG-CD1 3.85Å; L1423-L1427 HydrophobicContact CG-CG 4.4Å; L1423-L1427 PolarHBondContact O-N 3.15Å; R1425-L1427 PolarHBondContact O-N 3.17Å; L1427-V1429 PolarHBondContact O-N 3.39Å; L1427-G1431 WeakPolarHBondContact O-CA 3.43Å; L1427-G1431 PolarHBondContact O-N 3.47Å; L1427-H1432 PolarHBondContact O-N 3.16Å; L1427-H1432 VanDerWaalsContact O-N 3.15Å; L1427-Y1510 HydrophobicContact CB-CE2 4.31Å; L1427-Y1510 WeakPolarHBondContact O-CE2 3.31Å |
| 1428 | L | 96 | Very high | 94.5 | Very high | 3 Ų | 3 | 14 Ų | 14 | 2% | 0.016 | 6% | 0.06 | C | C | . | . | I | π-helix | trans | -70.9 | -28.1 | -168.9 | -56 | 179.3 | 0 | 0 | 0 | 113.7 | A1121 A1125 K1424 P1507 Y1510 | A1121-L1428 HydrophobicContact CB-CD1 4.27Å; A1125-L1428 HydrophobicContact CB-CD2 3.6Å; K1424-L1428 HydrophobicContact CG-CD1 3.9Å; K1424-L1428 WeakPolarHBondContact O-CB 3.49Å; K1424-L1428 WeakPolarHBondContact O-CG 3.15Å; K1424-L1428 PolarHBondContact O-N 3.46Å; K1424-L1428 VanDerWaalsContact O-N 3.17Å; L1428-P1507 HydrophobicContact CD1-CB 3.9Å; L1428-P1507 HydrophobicContact CD1-CG 3.98Å; L1428-P1507 HydrophobicContact CD2-CB 4.31Å; L1428-Y1510 HydrophobicContact CD2-CD2 4.03Å; L1428-Y1510 HydrophobicContact CD2-CG 4.03Å |
| 1429 | V | 95.5 | Very high | 94.7 | Very high | 9 Ų | 9 | 14 Ų | 14 | 6% | 0.055 | 6% | 0.06 | C | C | . | . | I | π-helix | trans | -98.2 | -67.6 | 175.6 | -176.4 | 0 | 0 | 0 | 0 | 110.3 | R1425 L1427 C1433 D1500 L1503 L1504 | R1425-V1429 HydrophobicContact CG-CB 4.26Å; R1425-V1429 HydrophobicContact CG-CG2 4.04Å; R1425-V1429 WeakPolarHBondContact O-CB 3.49Å; R1425-V1429 PolarHBondContact O-N 3.24Å; L1427-V1429 PolarHBondContact O-N 3.39Å; V1429-C1433 VanDerWaalsContact O-CB 3.29Å; V1429-C1433 WeakPolarHBondContact O-CB 3.45Å; V1429-C1433 PolarHBondContact O-N 2.62Å; V1429-C1433 VanDerWaalsContact O-N 3.09Å; V1429-C1433 PolarHBondContact O-SG 3.05Å; V1429-D1500 HydrophobicContact CG1-CB 3.6Å; V1429-D1500 HydrophobicContact CG2-CB 4.11Å; V1429-L1503 HydrophobicContact CG2-CB 4.4Å; V1429-L1504 HydrophobicContact CG2-CD1 4.04Å; V1429-L1504 HydrophobicContact CG2-CD2 4Å; V1429-L1504 HydrophobicContact CG2-CG 3.61Å |
| 1430 | H | 95.8 | Very high | 94.8 | Very high | 24 Ų | 24 | 14.3 Ų | 14.3 | 11% | 0.111 | 6% | 0.063 | C | C | . | . | I | π-helix | trans | -71.6 | -49.1 | -169 | -68.3 | -77.5 | 0 | 0 | 0 | 112.2 | M365 D368 R1425 L1426 C1433 C1434 | M365-H1430 HydrophobicContact CG-CB 3.82Å; M365-H1430 HydrophobicContact SD-CB 3.73Å; D368-H1430 IonicContact OD2-CD2 3.6Å; D368-H1430 IonicContact OD2-CE1 2.75Å; D368-H1430 PolarHBondContact OD2-CE1 3.23Å; D368-H1430 IonicContact OD2-NE2 3.59Å; D368-H1430 PolarHBondContact OD2-NE2 3Å; R1425-H1430 PolarHBondContact O-N 3Å; L1426-H1430 WeakPolarHBondContact O-CB 3.09Å; L1426-H1430 PolarHBondContact O-N 2.95Å; H1430-C1433 PolarHBondContact O-N 3.41Å; H1430-C1434 WeakPolarHBondContact O-CB 3.46Å; H1430-C1434 PolarHBondContact O-N 3.33Å; H1430-C1434 PolarHBondContact O-SG 3.29Å |
| 1431 | G | 94.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 6% | 0.064 | C | C | . | . | I | π-helix | trans | -54.9 | -56.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | L391 G392 L1426 L1427 C1433 C1434 Y1435 | L391-G1431 VanDerWaalsContact C-CA 3.48Å; L391-G1431 WeakPolarHBondContact O-CA 3.25Å; G392-G1431 WeakPolarHBondContact CA-O 3.45Å; G392-G1431 PolarHBondContact N-O 2.94Å; L1426-G1431 PolarHBondContact O-N 2.96Å; L1427-G1431 WeakPolarHBondContact O-CA 3.43Å; L1427-G1431 PolarHBondContact O-N 3.47Å; G1431-C1433 VanDerWaalsContact C-N 3.32Å; G1431-C1433 PolarHBondContact O-N 3.49Å; G1431-C1434 PolarHBondContact O-N 3.35Å; G1431-Y1435 PolarHBondContact O-N 2.9Å; G1431-Y1435 VanDerWaalsContact O-N 3.09Å |
| 1432 | H | 94.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 10.1 Ų | 10.1 | 1% | 0.005 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -51.4 | -49.2 | 175.3 | 174.9 | 87.5 | 0 | 0 | 0 | 112 | L1427 D1436 Y1510 D1658 | L1427-H1432 PolarHBondContact O-N 3.16Å; L1427-H1432 VanDerWaalsContact O-N 3.15Å; H1432-D1436 VanDerWaalsContact O-CB 3.29Å; H1432-D1436 WeakPolarHBondContact O-CB 3.15Å; H1432-D1436 PolarHBondContact O-N 2.97Å; H1432-D1436 VanDerWaalsContact O-N 3.15Å; H1432-Y1510 HydrophobicContact CB-CD2 4.04Å; H1432-Y1510 HydrophobicContact CB-CE2 4.5Å; H1432-D1658 IonicContact CE1-OD1 2.69Å; H1432-D1658 PolarHBondContact CE1-OD1 3.44Å; H1432-D1658 IonicContact NE2-OD1 3.44Å |
| 1433 | C | 94.2 | Very high | 94.8 | Very high | 7 Ų | 7 | 10.4 Ų | 10.4 | 5% | 0.047 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -68.1 | -34.6 | -179.7 | -68.9 | 0 | 0 | 0 | 0 | 113.7 | V1429 H1430 G1431 K1437 | V1429-C1433 VanDerWaalsContact O-CB 3.29Å; V1429-C1433 WeakPolarHBondContact O-CB 3.45Å; V1429-C1433 PolarHBondContact O-N 2.62Å; V1429-C1433 VanDerWaalsContact O-N 3.09Å; V1429-C1433 PolarHBondContact O-SG 3.05Å; H1430-C1433 PolarHBondContact O-N 3.41Å; G1431-C1433 VanDerWaalsContact C-N 3.32Å; G1431-C1433 PolarHBondContact O-N 3.49Å; C1433-K1437 VanDerWaalsContact O-CB 3.26Å; C1433-K1437 WeakPolarHBondContact O-CB 3.47Å; C1433-K1437 VanDerWaalsContact O-CD 3.29Å; C1433-K1437 WeakPolarHBondContact O-CD 3.49Å; C1433-K1437 WeakPolarHBondContact O-CG 3.49Å; C1433-K1437 PolarHBondContact O-N 3Å; C1433-K1437 VanDerWaalsContact O-N 3.15Å |
| 1434 | C | 94.9 | Very high | 94.7 | Very high | 5 Ų | 5 | 10.5 Ų | 10.5 | 3% | 0.034 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -71 | -44.7 | -178.6 | -67.6 | 0 | 0 | 0 | 0 | 111.2 | Q361 P388 H1430 G1431 L1438 | Q361-C1434 PolarHBondContact NE2-O 3.5Å; P388-C1434 WeakPolarHBondContact O-CB 3.17Å; H1430-C1434 WeakPolarHBondContact O-CB 3.46Å; H1430-C1434 PolarHBondContact O-N 3.33Å; H1430-C1434 PolarHBondContact O-SG 3.29Å; G1431-C1434 PolarHBondContact O-N 3.35Å; C1434-L1438 WeakPolarHBondContact O-CB 3.27Å; C1434-L1438 PolarHBondContact O-N 2.94Å; C1434-L1438 VanDerWaalsContact O-N 3.15Å |
| 1435 | Y | 95.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 8 Ų | 8 | 2% | 0.016 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -59.9 | -54.9 | 174.2 | 172.9 | -109.3 | 0 | 0 | 0 | 112.3 | L275 Q393 G1431 K1437 L1438 A1439 G1516 A1518 Y1519 | L275-Y1435 HydrophobicContact CD1-CE2 4.42Å; L275-Y1435 HydrophobicContact CD2-CD2 4.5Å; Q393-Y1435 HydrophobicContact CG-CD1 4.47Å; Q393-Y1435 HydrophobicContact CG-CD2 3.66Å; Q393-Y1435 HydrophobicContact CG-CE2 3.96Å; Q393-Y1435 HydrophobicContact CG-CG 3.96Å; G1431-Y1435 PolarHBondContact O-N 2.9Å; G1431-Y1435 VanDerWaalsContact O-N 3.09Å; Y1435-K1437 PolarHBondContact O-N 3.38Å; Y1435-L1438 PolarHBondContact O-N 2.98Å; Y1435-A1439 VanDerWaalsContact O-CB 3.26Å; Y1435-A1439 WeakPolarHBondContact O-CB 3.18Å; Y1435-A1439 PolarHBondContact O-N 3.26Å; Y1435-G1516 WeakPolarHBondContact OH-CA 2.96Å; Y1435-A1518 HydrophobicContact CD1-CB 4.41Å; Y1435-A1518 HydrophobicContact CE1-CB 3.73Å; Y1435-Y1519 PolarHBondContact OH-N 2.99Å; Y1435-Y1519 VanDerWaalsContact OH-N 3.1Å |
| 1436 | D | 93.2 | Very high | 94.5 | Very high | 4 Ų | 4 | 7.1 Ų | 7.1 | 2% | 0.021 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -64.5 | -43.4 | -172.5 | 169.1 | 70.6 | 0 | 0 | 0 | 112.6 | H1432 H1440 P1497 R1577 | H1432-D1436 VanDerWaalsContact O-CB 3.29Å; H1432-D1436 WeakPolarHBondContact O-CB 3.15Å; H1432-D1436 PolarHBondContact O-N 2.97Å; H1432-D1436 VanDerWaalsContact O-N 3.15Å; D1436-H1440 PolarHBondContact O-CD2 2.75Å; D1436-H1440 PolarHBondContact O-N 3.15Å; D1436-H1440 VanDerWaalsContact O-N 3.11Å; D1436-H1440 IonicContact OD1-CD2 3.77Å; D1436-H1440 PolarHBondContact OD1-CD2 2.75Å; D1436-H1440 IonicContact OD1-NE2 2.73Å; D1436-P1497 WeakPolarHBondContact OD2-CD 3.46Å; D1436-P1497 WeakPolarHBondContact OD2-CG 3.39Å; D1436-R1577 IonicContact OD1-CZ 2.69Å; D1436-R1577 IonicContact OD1-NH1 3.61Å; D1436-R1577 PolarHBondContact OD1-NH1 2.93Å; D1436-R1577 IonicContact OD1-NH2 3.41Å; D1436-R1577 IonicContact OD2-CZ 2.96Å; D1436-R1577 IonicContact OD2-NH1 3.82Å; D1436-R1577 PolarHBondContact OD2-NH1 3.11Å; D1436-R1577 IonicContact OD2-NH2 2.71Å; D1436-R1577 PolarHBondContact OD2-NH2 3.11Å |
| 1437 | K | 94.6 | Very high | 94.4 | Very high | 17 Ų | 17 | 7.1 Ų | 7.1 | 7% | 0.074 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -62.9 | -46.8 | 174.1 | -72 | 170.7 | -167.8 | 171.6 | 0 | 112.7 | C1433 Y1435 H1440 A1441 G1492 I1493 D1495 N1496 | C1433-K1437 VanDerWaalsContact O-CB 3.26Å; C1433-K1437 WeakPolarHBondContact O-CB 3.47Å; C1433-K1437 VanDerWaalsContact O-CD 3.29Å; C1433-K1437 WeakPolarHBondContact O-CD 3.49Å; C1433-K1437 WeakPolarHBondContact O-CG 3.49Å; C1433-K1437 PolarHBondContact O-N 3Å; C1433-K1437 VanDerWaalsContact O-N 3.15Å; Y1435-K1437 PolarHBondContact O-N 3.38Å; K1437-H1440 PolarHBondContact O-N 3.31Å; K1437-A1441 WeakPolarHBondContact O-CB 3.41Å; K1437-A1441 PolarHBondContact O-N 3.08Å; K1437-G1492 WeakPolarHBondContact CB-O 3.49Å; K1437-G1492 WeakPolarHBondContact CD-O 3.23Å; K1437-I1493 WeakPolarHBondContact CE-O 3.36Å; K1437-I1493 PolarHBondContact NZ-O 3Å; K1437-D1495 VanDerWaalsContact CG-O 3.3Å; K1437-D1495 WeakPolarHBondContact CG-O 3.48Å; K1437-N1496 WeakPolarHBondContact CE-OD1 3.21Å; K1437-N1496 PolarHBondContact NZ-OD1 3.13Å |
| 1438 | L | 94.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 7.1 Ų | 7.1 | 1% | 0.005 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -68 | -40.7 | -175.3 | -170.5 | 60.2 | 0 | 0 | 0 | 110.6 | L275 I354 V357 K358 E389 C1434 Y1435 H1440 A1441 S1442 | L275-L1438 HydrophobicContact CD2-CB 4.03Å; L275-L1438 HydrophobicContact CD2-CD2 3.96Å; L275-L1438 HydrophobicContact CD2-CG 3.84Å; I354-L1438 HydrophobicContact CB-CD1 4.44Å; I354-L1438 HydrophobicContact CG1-CD1 4.09Å; I354-L1438 HydrophobicContact CG2-CD1 4.25Å; I354-L1438 HydrophobicContact CG2-CD2 4.49Å; V357-L1438 HydrophobicContact CB-CD1 4.33Å; V357-L1438 HydrophobicContact CG1-CD1 3.88Å; K358-L1438 HydrophobicContact CG-CD2 4.21Å; E389-L1438 HydrophobicContact CB-CD2 4.06Å; E389-L1438 HydrophobicContact CG-CD2 4.12Å; C1434-L1438 WeakPolarHBondContact O-CB 3.27Å; C1434-L1438 PolarHBondContact O-N 2.94Å; C1434-L1438 VanDerWaalsContact O-N 3.15Å; Y1435-L1438 PolarHBondContact O-N 2.98Å; L1438-H1440 PolarHBondContact O-N 3.12Å; L1438-A1441 PolarHBondContact O-N 2.77Å; L1438-S1442 WeakPolarHBondContact O-CB 3.5Å; L1438-S1442 PolarHBondContact O-N 3.33Å; L1438-S1442 PolarHBondContact O-OG 2.98Å |
| 1439 | A | 93.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -55.4 | -50.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y1435 L1443 A1518 Y1519 | Y1435-A1439 VanDerWaalsContact O-CB 3.26Å; Y1435-A1439 WeakPolarHBondContact O-CB 3.18Å; Y1435-A1439 PolarHBondContact O-N 3.26Å; A1439-L1443 WeakPolarHBondContact O-CB 3.33Å; A1439-L1443 WeakPolarHBondContact O-CG 3.21Å; A1439-L1443 PolarHBondContact O-N 3.31Å; A1439-A1518 HydrophobicContact CB-CB 3.75Å; A1439-Y1519 HydrophobicContact CB-CD2 3.99Å; A1439-Y1519 HydrophobicContact CB-CG 4.42Å |
| 1440 | H | 92.7 | Very high | 94.1 | Very high | 58 Ų | 58 | 6.7 Ų | 6.7 | 27% | 0.269 | 3% | 0.033 | S | C | . | . | H | α-helix | trans | -66.2 | -41.2 | 179.6 | -86.2 | -62.6 | 0 | 0 | 0 | 113.1 | D1436 K1437 L1438 L1443 Y1444 R1577 | D1436-H1440 PolarHBondContact O-CD2 2.75Å; D1436-H1440 PolarHBondContact O-N 3.15Å; D1436-H1440 VanDerWaalsContact O-N 3.11Å; D1436-H1440 IonicContact OD1-CD2 3.77Å; D1436-H1440 PolarHBondContact OD1-CD2 2.75Å; D1436-H1440 IonicContact OD1-NE2 2.73Å; K1437-H1440 PolarHBondContact O-N 3.31Å; L1438-H1440 PolarHBondContact O-N 3.12Å; H1440-L1443 PolarHBondContact O-N 3.46Å; H1440-Y1444 PolarHBondContact O-N 3.12Å; H1440-Y1444 VanDerWaalsContact O-N 3.1Å; H1440-R1577 PolarHBondContact CD2-NH1 2.87Å; H1440-R1577 PolarHBondContact NE2-NH1 2.65Å |
| 1441 | A | 93.7 | Very high | 94.1 | Very high | 2 Ų | 2 | 5.7 Ų | 5.7 | 2% | 0.017 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -63.9 | -44.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K1437 L1438 Y1444 L1445 | K1437-A1441 WeakPolarHBondContact O-CB 3.41Å; K1437-A1441 PolarHBondContact O-N 3.08Å; L1438-A1441 PolarHBondContact O-N 2.77Å; A1441-Y1444 PolarHBondContact O-N 3.29Å; A1441-L1445 WeakPolarHBondContact O-CG 3.35Å; A1441-L1445 PolarHBondContact O-N 2.8Å |
| 1442 | S | 93.1 | Very high | 94 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -63.8 | -40.7 | 176.7 | -62.7 | 0 | 0 | 0 | 0 | 112.6 | I279 L1438 Y1444 L1445 F1446 | I279-S1442 WeakPolarHBondContact CD1-OG 3.27Å; L1438-S1442 WeakPolarHBondContact O-CB 3.5Å; L1438-S1442 PolarHBondContact O-N 3.33Å; L1438-S1442 PolarHBondContact O-OG 2.98Å; S1442-Y1444 VanDerWaalsContact C-N 3.29Å; S1442-Y1444 PolarHBondContact O-N 3.23Å; S1442-L1445 PolarHBondContact O-N 2.72Å; S1442-F1446 VanDerWaalsContact O-CD2 3.27Å; S1442-F1446 WeakPolarHBondContact O-CD2 3.49Å; S1442-F1446 PolarHBondContact O-N 3.41Å |
| 1443 | L | 93.5 | Very high | 93.9 | Very high | 8 Ų | 8 | 5.7 Ų | 5.7 | 4% | 0.042 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -65 | -30.7 | 174.7 | -76.8 | 174 | 0 | 0 | 0 | 113.1 | A1439 H1440 Y1447 Y1519 L1523 F1524 N1527 | A1439-L1443 WeakPolarHBondContact O-CB 3.33Å; A1439-L1443 WeakPolarHBondContact O-CG 3.21Å; A1439-L1443 PolarHBondContact O-N 3.31Å; H1440-L1443 PolarHBondContact O-N 3.46Å; L1443-Y1447 WeakPolarHBondContact O-CB 3.42Å; L1443-Y1447 PolarHBondContact O-N 3.29Å; L1443-Y1519 HydrophobicContact CD1-CD2 4.09Å; L1443-Y1519 HydrophobicContact CD1-CE2 4.44Å; L1443-Y1519 HydrophobicContact CD2-CD2 4.16Å; L1443-Y1519 HydrophobicContact CD2-CE2 3.75Å; L1443-Y1519 HydrophobicContact CG-CD2 3.75Å; L1443-Y1519 HydrophobicContact CG-CE2 3.62Å; L1443-L1523 HydrophobicContact CD1-CB 4Å; L1443-L1523 HydrophobicContact CD1-CD1 4.25Å; L1443-L1523 HydrophobicContact CD2-CB 4.34Å; L1443-F1524 HydrophobicContact CD2-CB 4.41Å; L1443-N1527 PolarHBondContact O-ND2 2.97Å |
| 1444 | Y | 93.9 | Very high | 94 | Very high | 2 Ų | 2 | 5.8 Ų | 5.8 | 1% | 0.008 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -76.5 | -34.9 | 174.4 | 179.3 | -90.8 | 0 | 0 | 0 | 112.5 | H1440 A1441 S1442 Y1447 K1448 P1488 M1491 T1568 I1575 | H1440-Y1444 PolarHBondContact O-N 3.12Å; H1440-Y1444 VanDerWaalsContact O-N 3.1Å; A1441-Y1444 PolarHBondContact O-N 3.29Å; S1442-Y1444 VanDerWaalsContact C-N 3.29Å; S1442-Y1444 PolarHBondContact O-N 3.23Å; Y1444-Y1447 AromaticContact CD2-CD1 3.82Å; Y1444-Y1447 HydrophobicContact CD2-CD1 3.82Å; Y1444-Y1447 HydrophobicContact CD2-CE1 4.33Å; Y1444-Y1447 AromaticContact CE2-CD1 3.86Å; Y1444-Y1447 HydrophobicContact CE2-CD1 3.86Å; Y1444-Y1447 AromaticContact CE2-CE1 3.95Å; Y1444-Y1447 HydrophobicContact CE2-CE1 3.95Å; Y1444-Y1447 PolarHBondContact O-N 3.3Å; Y1444-K1448 HydrophobicContact CD1-CD 4.27Å; Y1444-K1448 HydrophobicContact CE1-CB 4.09Å; Y1444-K1448 HydrophobicContact CE1-CD 3.79Å; Y1444-K1448 HydrophobicContact CE1-CG 4.48Å; Y1444-K1448 PolarHBondContact O-N 3.33Å; Y1444-P1488 HydrophobicContact CD1-CB 4.03Å; Y1444-P1488 HydrophobicContact CD1-CG 4.3Å; Y1444-P1488 HydrophobicContact CE1-CG 4.42Å; Y1444-M1491 HydrophobicContact CG-SD 4.42Å; Y1444-T1568 PolarHBondContact OH-O 3.44Å; Y1444-I1575 HydrophobicContact CD2-CD1 4.45Å |
| 1445 | L | 93 | Very high | 94 | Very high | 1 Ų | 1 | 5.6 Ų | 5.6 | 1% | 0.005 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -60.3 | -46.1 | 176.7 | -78.1 | 166.9 | 0 | 0 | 0 | 112.4 | P347 L350 T353 A1441 S1442 K1448 P1488 | P347-L1445 HydrophobicContact CG-CB 4.5Å; P347-L1445 VanDerWaalsContact CG-O 3.3Å; P347-L1445 WeakPolarHBondContact CG-O 3.18Å; L350-L1445 HydrophobicContact CD1-CB 4.2Å; L350-L1445 HydrophobicContact CD1-CD1 3.92Å; T353-L1445 HydrophobicContact CG2-CD1 4.15Å; A1441-L1445 WeakPolarHBondContact O-CG 3.35Å; A1441-L1445 PolarHBondContact O-N 2.8Å; S1442-L1445 PolarHBondContact O-N 2.72Å; L1445-K1448 HydrophobicContact CD2-CD 4.47Å; L1445-P1488 HydrophobicContact CD1-CB 4.45Å; L1445-P1488 HydrophobicContact CD2-CB 3.83Å; L1445-P1488 HydrophobicContact CD2-CG 3.56Å; L1445-P1488 HydrophobicContact CG-CB 3.86Å; L1445-P1488 HydrophobicContact CG-CG 4.17Å |
| 1446 | F | 93.8 | Very high | 93.9 | Very high | 3 Ų | 3 | 5.6 Ų | 5.6 | 1% | 0.013 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -65.2 | -42.8 | 174.2 | -71.2 | -67.5 | 0 | 0 | 0 | 112.5 | I279 D282 V283 P347 L350 S1442 A1450 F1524 | I279-F1446 HydrophobicContact CG2-CE2 4.17Å; I279-F1446 HydrophobicContact CG2-CZ 4.07Å; D282-F1446 HydrophobicContact CB-CE2 4.49Å; V283-F1446 HydrophobicContact CG2-CE1 3.94Å; V283-F1446 HydrophobicContact CG2-CZ 3.78Å; P347-F1446 HydrophobicContact CG-CD1 4.18Å; L350-F1446 HydrophobicContact CD1-CE2 4.45Å; L350-F1446 HydrophobicContact CD1-CZ 4.42Å; L350-F1446 HydrophobicContact CD2-CE1 4Å; L350-F1446 HydrophobicContact CD2-CE2 4.46Å; L350-F1446 HydrophobicContact CD2-CZ 3.68Å; S1442-F1446 VanDerWaalsContact O-CD2 3.27Å; S1442-F1446 WeakPolarHBondContact O-CD2 3.49Å; S1442-F1446 PolarHBondContact O-N 3.41Å; F1446-A1450 VanDerWaalsContact O-CB 3.3Å; F1446-A1450 WeakPolarHBondContact O-CB 3.5Å; F1446-A1450 PolarHBondContact O-N 3.08Å; F1446-A1450 VanDerWaalsContact O-N 3.12Å; F1446-F1524 HydrophobicContact CB-CD2 4.43Å; F1446-F1524 HydrophobicContact CB-CE2 4.18Å; F1446-F1524 HydrophobicContact CD1-CE2 4.2Å; F1446-F1524 HydrophobicContact CD2-CD2 4.34Å; F1446-F1524 HydrophobicContact CD2-CE2 4.37Å; F1446-F1524 HydrophobicContact CG-CD2 4.35Å; F1446-F1524 HydrophobicContact CG-CE2 4.02Å |
| 1447 | Y | 94.9 | Very high | 94 | Very high | 1 Ų | 1 | 6.7 Ų | 6.7 | 0% | 0.004 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -57.3 | -51.6 | 179.9 | 159 | -99.4 | 0 | 0 | 0 | 112.6 | L1443 Y1444 D1449 A1450 V1451 D1530 A1531 Q1534 T1568 H1571 | L1443-Y1447 WeakPolarHBondContact O-CB 3.42Å; L1443-Y1447 PolarHBondContact O-N 3.29Å; Y1444-Y1447 AromaticContact CD2-CD1 3.82Å; Y1444-Y1447 HydrophobicContact CD2-CD1 3.82Å; Y1444-Y1447 HydrophobicContact CD2-CE1 4.33Å; Y1444-Y1447 AromaticContact CE2-CD1 3.86Å; Y1444-Y1447 HydrophobicContact CE2-CD1 3.86Å; Y1444-Y1447 AromaticContact CE2-CE1 3.95Å; Y1444-Y1447 HydrophobicContact CE2-CE1 3.95Å; Y1444-Y1447 PolarHBondContact O-N 3.3Å; Y1447-D1449 VanDerWaalsContact C-N 3.32Å; Y1447-D1449 PolarHBondContact O-N 3.27Å; Y1447-A1450 PolarHBondContact O-N 3.5Å; Y1447-V1451 HydrophobicContact CD2-CG2 4.27Å; Y1447-V1451 HydrophobicContact CE1-CG2 4.43Å; Y1447-V1451 HydrophobicContact CE2-CG2 3.63Å; Y1447-V1451 WeakPolarHBondContact O-CG2 3.35Å; Y1447-V1451 PolarHBondContact O-N 2.76Å; Y1447-V1451 VanDerWaalsContact O-N 3.15Å; Y1447-D1530 HydrophobicContact CE2-CB 4.35Å; Y1447-A1531 HydrophobicContact CD2-CB 4.16Å; Y1447-A1531 HydrophobicContact CE2-CB 4.34Å; Y1447-Q1534 PolarHBondContact OH-NE2 2.94Å; Y1447-Q1534 PolarHBondContact OH-OE1 3.22Å; Y1447-T1568 HydrophobicContact CE1-CG2 4.45Å; Y1447-H1571 HydrophobicContact CE1-CB 4.16Å; Y1447-H1571 AromaticContact CE1-CD2 3.6Å; Y1447-H1571 AromaticContact CE1-CE1 3.97Å; Y1447-H1571 AromaticContact CE1-CG 3.68Å; Y1447-H1571 AromaticContact CE1-ND1 3.94Å; Y1447-H1571 AromaticContact CE1-NE2 3.83Å; Y1447-H1571 AromaticContact CE2-CE1 3.74Å; Y1447-H1571 AromaticContact CZ-CD2 3.9Å; Y1447-H1571 AromaticContact CZ-CE1 3.49Å; Y1447-H1571 VanDerWaalsContact CZ-CE1 3.49Å; Y1447-H1571 AromaticContact CZ-CG 3.69Å; Y1447-H1571 AromaticContact CZ-ND1 3.46Å; Y1447-H1571 AromaticContact CZ-NE2 3.82Å; Y1447-H1571 PolarHBondContact OH-ND1 2.95Å; Y1447-H1571 VanDerWaalsContact OH-ND1 3.1Å |
| 1448 | K | 93.9 | Very high | 94 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -64.6 | -36.2 | -169.6 | 81.4 | -170.5 | -179.1 | 62.5 | 0 | 112.5 | Y1444 L1445 S1480 T1484 T1568 | Y1444-K1448 HydrophobicContact CD1-CD 4.27Å; Y1444-K1448 HydrophobicContact CE1-CB 4.09Å; Y1444-K1448 HydrophobicContact CE1-CD 3.79Å; Y1444-K1448 HydrophobicContact CE1-CG 4.48Å; Y1444-K1448 PolarHBondContact O-N 3.33Å; L1445-K1448 HydrophobicContact CD2-CD 4.47Å; K1448-S1480 VanDerWaalsContact NZ-CA 3.31Å; K1448-S1480 PolarHBondContact NZ-O 3.04Å; K1448-S1480 VanDerWaalsContact NZ-O 3.17Å; K1448-S1480 PolarHBondContact NZ-OG 3.01Å; K1448-T1484 PolarHBondContact NZ-OG1 3.28Å; K1448-T1568 HydrophobicContact CB-CG2 4.28Å |
| 1449 | D | 93.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -84.6 | -30.8 | -178.7 | -68.5 | -13.2 | 0 | 0 | 0 | 111.4 | T344 P347 Y1447 V1451 Y1452 I1453 F1479 S1480 | T344-D1449 WeakPolarHBondContact O-CB 3.28Å; P347-D1449 WeakPolarHBondContact CA-OD2 3.5Å; P347-D1449 WeakPolarHBondContact CB-OD2 3.5Å; P347-D1449 HydrophobicContact CG-CB 4.38Å; Y1447-D1449 VanDerWaalsContact C-N 3.32Å; Y1447-D1449 PolarHBondContact O-N 3.27Å; D1449-V1451 VanDerWaalsContact C-N 3.31Å; D1449-V1451 PolarHBondContact O-N 3.14Å; D1449-Y1452 PolarHBondContact O-N 2.97Å; D1449-Y1452 VanDerWaalsContact O-N 3.13Å; D1449-I1453 WeakPolarHBondContact O-CG1 3.38Å; D1449-I1453 PolarHBondContact O-N 3.07Å; D1449-F1479 WeakPolarHBondContact OD1-CE1 3.4Å; D1449-S1480 VanDerWaalsContact CG-OG 3.29Å; D1449-S1480 WeakPolarHBondContact OD1-CB 3.4Å; D1449-S1480 PolarHBondContact OD1-OG 3.47Å; D1449-S1480 WeakPolarHBondContact OD2-CB 3.4Å; D1449-S1480 PolarHBondContact OD2-OG 3.29Å |
| 1450 | A | 94.8 | Very high | 93.9 | Very high | 3 Ų | 3 | 9 Ų | 9 | 3% | 0.025 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -59.6 | -39.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1446 Y1447 Y1452 I1453 F1454 I1528 A1531 | F1446-A1450 VanDerWaalsContact O-CB 3.3Å; F1446-A1450 WeakPolarHBondContact O-CB 3.5Å; F1446-A1450 PolarHBondContact O-N 3.08Å; F1446-A1450 VanDerWaalsContact O-N 3.12Å; Y1447-A1450 PolarHBondContact O-N 3.5Å; A1450-Y1452 VanDerWaalsContact C-N 3.27Å; A1450-Y1452 PolarHBondContact O-N 3.3Å; A1450-I1453 PolarHBondContact O-N 2.97Å; A1450-F1454 HydrophobicContact CB-CD2 4.4Å; A1450-F1454 HydrophobicContact CB-CE2 4.07Å; A1450-F1454 WeakPolarHBondContact O-CD2 3.35Å; A1450-F1454 WeakPolarHBondContact O-CG 3.16Å; A1450-F1454 PolarHBondContact O-N 3.25Å; A1450-I1528 HydrophobicContact CB-CD1 3.86Å; A1450-A1531 HydrophobicContact CB-CB 3.72Å |
| 1451 | V | 95.2 | Very high | 93.8 | Very high | 2 Ų | 2 | 9.7 Ų | 9.7 | 1% | 0.012 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -55.8 | -46.5 | 173.5 | 175.8 | 0 | 0 | 0 | 0 | 110.3 | Y1447 D1449 L1455 A1531 S1535 T1564 | Y1447-V1451 HydrophobicContact CD2-CG2 4.27Å; Y1447-V1451 HydrophobicContact CE1-CG2 4.43Å; Y1447-V1451 HydrophobicContact CE2-CG2 3.63Å; Y1447-V1451 WeakPolarHBondContact O-CG2 3.35Å; Y1447-V1451 PolarHBondContact O-N 2.76Å; Y1447-V1451 VanDerWaalsContact O-N 3.15Å; D1449-V1451 VanDerWaalsContact C-N 3.31Å; D1449-V1451 PolarHBondContact O-N 3.14Å; V1451-L1455 WeakPolarHBondContact O-CB 3.43Å; V1451-L1455 PolarHBondContact O-N 3.44Å; V1451-L1455 VanDerWaalsContact O-N 3.1Å; V1451-A1531 HydrophobicContact CG2-CB 3.73Å; V1451-S1535 VanDerWaalsContact O-CB 3.28Å; V1451-S1535 WeakPolarHBondContact O-CB 3.48Å; V1451-T1564 HydrophobicContact CG1-CG2 3.9Å |
| 1452 | Y | 93.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -69.3 | -38.1 | -176.1 | -166.9 | -93.3 | 0 | 0 | 0 | 112.4 | D1449 A1450 L1455 L1456 I1471 Q1476 F1479 T1564 | D1449-Y1452 PolarHBondContact O-N 2.97Å; D1449-Y1452 VanDerWaalsContact O-N 3.13Å; A1450-Y1452 VanDerWaalsContact C-N 3.27Å; A1450-Y1452 PolarHBondContact O-N 3.3Å; Y1452-L1455 WeakPolarHBondContact O-CB 3.21Å; Y1452-L1456 HydrophobicContact CD1-CD1 3.96Å; Y1452-L1456 HydrophobicContact CE1-CD1 3.69Å; Y1452-L1456 HydrophobicContact CE1-CG 4.26Å; Y1452-L1456 WeakPolarHBondContact O-CG 3.3Å; Y1452-L1456 PolarHBondContact O-N 3.14Å; Y1452-I1471 HydrophobicContact CE2-CD1 3.9Å; Y1452-I1471 VanDerWaalsContact OH-CG2 3.24Å; Y1452-I1471 WeakPolarHBondContact OH-CG2 3.17Å; Y1452-Q1476 HydrophobicContact CE1-CB 4.31Å; Y1452-Q1476 HydrophobicContact CE1-CG 4.09Å; Y1452-Q1476 WeakPolarHBondContact OH-CA 3.31Å; Y1452-F1479 HydrophobicContact CD1-CD1 4.26Å; Y1452-F1479 HydrophobicContact CD1-CG 4.5Å; Y1452-F1479 HydrophobicContact CD2-CB 4.42Å; Y1452-F1479 AromaticContact CD2-CD1 3.81Å; Y1452-F1479 HydrophobicContact CD2-CD1 3.81Å; Y1452-F1479 AromaticContact CD2-CD2 3.58Å; Y1452-F1479 HydrophobicContact CD2-CD2 3.58Å; Y1452-F1479 AromaticContact CD2-CE1 3.92Å; Y1452-F1479 HydrophobicContact CD2-CE1 3.92Å; Y1452-F1479 AromaticContact CD2-CE2 3.68Å; Y1452-F1479 HydrophobicContact CD2-CE2 3.68Å; Y1452-F1479 AromaticContact CD2-CG 3.65Å; Y1452-F1479 HydrophobicContact CD2-CG 3.65Å; Y1452-F1479 AromaticContact CD2-CZ 3.85Å; Y1452-F1479 HydrophobicContact CD2-CZ 3.85Å; Y1452-F1479 HydrophobicContact CE2-CB 4.2Å; Y1452-F1479 HydrophobicContact CE2-CD1 4.43Å; Y1452-F1479 AromaticContact CE2-CD2 3.77Å; Y1452-F1479 HydrophobicContact CE2-CD2 3.77Å; Y1452-F1479 HydrophobicContact CE2-CE2 4.27Å; Y1452-F1479 AromaticContact CE2-CG 3.86Å; Y1452-F1479 HydrophobicContact CE2-CG 3.86Å; Y1452-F1479 AromaticContact CG-CD1 3.72Å; Y1452-F1479 HydrophobicContact CG-CD1 3.72Å; Y1452-F1479 HydrophobicContact CG-CD2 4.35Å; Y1452-F1479 AromaticContact CG-CE1 3.83Å; Y1452-F1479 HydrophobicContact CG-CE1 3.83Å; Y1452-F1479 HydrophobicContact CG-CE2 4.43Å; Y1452-F1479 HydrophobicContact CG-CG 4Å; Y1452-F1479 HydrophobicContact CG-CZ 4.18Å; Y1452-T1564 HydrophobicContact CD2-CG2 4.2Å |
| 1453 | I | 93.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -68.5 | -44.1 | 176.1 | -69.8 | -53.3 | 0 | 0 | 0 | 112.6 | F342 T344 I345 D1449 A1450 L1455 L1456 F1457 | F342-I1453 HydrophobicContact CB-CD1 4.2Å; F342-I1453 HydrophobicContact CB-CG2 4.07Å; F342-I1453 HydrophobicContact CD1-CD1 4.37Å; F342-I1453 HydrophobicContact CD1-CG2 4.09Å; F342-I1453 HydrophobicContact CG-CG2 4.26Å; T344-I1453 WeakPolarHBondContact OG1-CD1 3.31Å; I345-I1453 HydrophobicContact CB-CG1 3.98Å; I345-I1453 HydrophobicContact CB-CG2 4.35Å; I345-I1453 HydrophobicContact CD1-CG2 4.39Å; D1449-I1453 WeakPolarHBondContact O-CG1 3.38Å; D1449-I1453 PolarHBondContact O-N 3.07Å; A1450-I1453 PolarHBondContact O-N 2.97Å; I1453-L1455 VanDerWaalsContact C-N 3.29Å; I1453-L1455 PolarHBondContact O-N 3.24Å; I1453-L1456 HydrophobicContact CD1-CD1 4.26Å; I1453-L1456 PolarHBondContact O-N 3.49Å; I1453-F1457 PolarHBondContact O-N 3.46Å |
| 1454 | F | 95.4 | Very high | 93 | Very high | 9 Ų | 9 | 15.1 Ų | 15.1 | 4% | 0.039 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -66.6 | -33 | 177.7 | -66 | -50.9 | 0 | 0 | 0 | 112 | I289 V293 A1450 F1457 W1458 I1528 A1531 L1532 S1535 | I289-F1454 HydrophobicContact CG2-CE1 4.37Å; I289-F1454 HydrophobicContact CG2-CZ 4.22Å; V293-F1454 HydrophobicContact CG2-CE1 4.41Å; A1450-F1454 HydrophobicContact CB-CD2 4.4Å; A1450-F1454 HydrophobicContact CB-CE2 4.07Å; A1450-F1454 WeakPolarHBondContact O-CD2 3.35Å; A1450-F1454 WeakPolarHBondContact O-CG 3.16Å; A1450-F1454 PolarHBondContact O-N 3.25Å; F1454-F1457 PolarHBondContact O-N 2.9Å; F1454-W1458 VanDerWaalsContact O-CG 3.23Å; F1454-W1458 PolarHBondContact O-N 3.43Å; F1454-W1458 PolarHBondContact O-NE1 2.82Å; F1454-I1528 HydrophobicContact CE2-CG2 4.15Å; F1454-I1528 HydrophobicContact CZ-CG2 4.19Å; F1454-A1531 HydrophobicContact CD2-CB 4.25Å; F1454-A1531 HydrophobicContact CE2-CB 4.38Å; F1454-L1532 HydrophobicContact CB-CD2 4.34Å; F1454-L1532 HydrophobicContact CD1-CD2 3.59Å; F1454-L1532 HydrophobicContact CD1-CG 4.46Å; F1454-L1532 HydrophobicContact CD2-CD2 3.71Å; F1454-L1532 HydrophobicContact CD2-CG 3.78Å; F1454-L1532 HydrophobicContact CE1-CD2 3.71Å; F1454-L1532 HydrophobicContact CE1-CG 4.33Å; F1454-L1532 HydrophobicContact CE2-CD1 4.46Å; F1454-L1532 HydrophobicContact CE2-CD2 3.83Å; F1454-L1532 HydrophobicContact CE2-CG 3.62Å; F1454-L1532 HydrophobicContact CG-CD2 3.61Å; F1454-L1532 HydrophobicContact CG-CG 4.22Å; F1454-L1532 HydrophobicContact CZ-CD1 4.43Å; F1454-L1532 HydrophobicContact CZ-CD2 3.82Å; F1454-L1532 HydrophobicContact CZ-CG 3.92Å; F1454-S1535 WeakPolarHBondContact CB-OG 3.45Å |
| 1455 | L | 95 | Very high | 92.8 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.005 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -58.7 | -48.1 | 171.5 | 172.6 | 67.1 | 0 | 0 | 0 | 112 | V1451 Y1452 I1453 F1457 W1458 F1459 I1471 V1538 F1539 Q1560 T1564 | V1451-L1455 WeakPolarHBondContact O-CB 3.43Å; V1451-L1455 PolarHBondContact O-N 3.44Å; V1451-L1455 VanDerWaalsContact O-N 3.1Å; Y1452-L1455 WeakPolarHBondContact O-CB 3.21Å; I1453-L1455 VanDerWaalsContact C-N 3.29Å; I1453-L1455 PolarHBondContact O-N 3.24Å; L1455-F1457 VanDerWaalsContact C-N 3.33Å; L1455-F1457 PolarHBondContact O-N 3.34Å; L1455-W1458 PolarHBondContact O-N 3.34Å; L1455-F1459 PolarHBondContact O-N 3.03Å; L1455-I1471 HydrophobicContact CD2-CD1 4Å; L1455-V1538 HydrophobicContact CD1-CB 4.43Å; L1455-V1538 HydrophobicContact CD1-CG1 3.97Å; L1455-V1538 HydrophobicContact CD2-CG1 4.48Å; L1455-F1539 HydrophobicContact CD1-CB 3.96Å; L1455-F1539 HydrophobicContact CD1-CD2 4.15Å; L1455-Q1560 HydrophobicContact CD1-CB 4.35Å; L1455-Q1560 HydrophobicContact CD1-CG 4.46Å; L1455-Q1560 HydrophobicContact CD2-CB 4.29Å; L1455-T1564 VanDerWaalsContact CD2-OG1 3.29Å; L1455-T1564 WeakPolarHBondContact CD2-OG1 3.12Å |
| 1456 | L | 93.5 | Very high | 92.5 | Very high | 4 Ų | 4 | 18.8 Ų | 18.8 | 2% | 0.021 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.5 | -37.8 | 176 | -69.5 | 170.6 | 0 | 0 | 0 | 112.1 | F342 Y1452 I1453 F1459 Q1460 N1469 I1471 Q1476 | F342-L1456 HydrophobicContact CD1-CB 4.26Å; F342-L1456 HydrophobicContact CE1-CB 3.85Å; Y1452-L1456 HydrophobicContact CD1-CD1 3.96Å; Y1452-L1456 HydrophobicContact CE1-CD1 3.69Å; Y1452-L1456 HydrophobicContact CE1-CG 4.26Å; Y1452-L1456 WeakPolarHBondContact O-CG 3.3Å; Y1452-L1456 PolarHBondContact O-N 3.14Å; I1453-L1456 HydrophobicContact CD1-CD1 4.26Å; I1453-L1456 PolarHBondContact O-N 3.49Å; L1456-F1459 PolarHBondContact O-N 3.45Å; L1456-Q1460 WeakPolarHBondContact O-CG 3.22Å; L1456-Q1460 PolarHBondContact O-N 3.01Å; L1456-Q1460 PolarHBondContact O-NE2 3.16Å; L1456-N1469 HydrophobicContact CD2-CB 4.31Å; L1456-I1471 HydrophobicContact CD2-CD1 4.13Å; L1456-Q1476 VanDerWaalsContact CD1-NE2 3.28Å |
| 1457 | F | 94.6 | Very high | 92 | Very high | 28 Ų | 28 | 19 Ų | 19 | 12% | 0.123 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.6 | -43.6 | 176.7 | 173 | -108 | 0 | 0 | 0 | 112.3 | V293 F342 I1453 F1454 L1455 F1459 Q1460 | V293-F1457 HydrophobicContact CG1-CB 4.31Å; V293-F1457 HydrophobicContact CG1-CD2 3.5Å; V293-F1457 VanDerWaalsContact CG1-CD2 3.5Å; V293-F1457 HydrophobicContact CG1-CE2 3.97Å; V293-F1457 HydrophobicContact CG1-CG 3.97Å; F342-F1457 HydrophobicContact CE1-CB 4.1Å; F342-F1457 HydrophobicContact CE2-CD2 4.38Å; F342-F1457 HydrophobicContact CZ-CB 3.98Å; F342-F1457 HydrophobicContact CZ-CD2 4.13Å; I1453-F1457 PolarHBondContact O-N 3.46Å; F1454-F1457 PolarHBondContact O-N 2.9Å; L1455-F1457 VanDerWaalsContact C-N 3.33Å; L1455-F1457 PolarHBondContact O-N 3.34Å; F1457-F1459 PolarHBondContact O-N 3.09Å; F1457-Q1460 WeakPolarHBondContact O-CB 3.32Å; F1457-Q1460 PolarHBondContact O-N 2.85Å |
| 1458 | W | 94.4 | Very high | 91.6 | Very high | 41 Ų | 41 | 21.3 Ų | 21.3 | 16% | 0.155 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.2 | -36.1 | 177.1 | -60.3 | 135.3 | 0 | 0 | 0 | 111.9 | F1454 L1455 Q1460 M1461 F1462 L1532 S1535 F1539 | F1454-W1458 VanDerWaalsContact O-CG 3.23Å; F1454-W1458 PolarHBondContact O-N 3.43Å; F1454-W1458 PolarHBondContact O-NE1 2.82Å; L1455-W1458 PolarHBondContact O-N 3.34Å; W1458-Q1460 PolarHBondContact O-N 2.96Å; W1458-M1461 HydrophobicContact CE3-CE 3.66Å; W1458-M1461 HydrophobicContact CE3-SD 3.91Å; W1458-M1461 HydrophobicContact CZ3-CE 4.3Å; W1458-M1461 HydrophobicContact CZ3-SD 4.2Å; W1458-M1461 PolarHBondContact O-N 3.05Å; W1458-F1462 VanDerWaalsContact O-CD2 3.29Å; W1458-F1462 WeakPolarHBondContact O-CD2 3.17Å; W1458-L1532 HydrophobicContact CZ2-CD2 4.07Å; W1458-S1535 PolarHBondContact NE1-OG 2.94Å; W1458-F1539 HydrophobicContact CB-CB 4.06Å; W1458-F1539 HydrophobicContact CB-CD1 3.91Å; W1458-F1539 HydrophobicContact CB-CD2 3.9Å; W1458-F1539 HydrophobicContact CB-CE1 4.43Å; W1458-F1539 HydrophobicContact CB-CE2 4.42Å; W1458-F1539 HydrophobicContact CB-CG 3.64Å; W1458-F1539 HydrophobicContact CG-CB 4.44Å; W1458-F1539 HydrophobicContact CG-CG 4.49Å |
| 1459 | F | 93.6 | Very high | 91.2 | Very high | 24 Ų | 24 | 22.1 Ų | 22.1 | 11% | 0.105 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.7 | -36.3 | 174.2 | -176.2 | -109.3 | 0 | 0 | 0 | 113.5 | L1455 L1456 F1457 M1461 F1462 N1463 S1468 A1470 F1539 L1553 | L1455-F1459 PolarHBondContact O-N 3.03Å; L1456-F1459 PolarHBondContact O-N 3.45Å; F1457-F1459 PolarHBondContact O-N 3.09Å; F1459-M1461 PolarHBondContact O-N 3.47Å; F1459-F1462 PolarHBondContact O-N 3.27Å; F1459-N1463 HydrophobicContact CE1-CB 4.03Å; F1459-N1463 HydrophobicContact CZ-CB 4.22Å; F1459-N1463 PolarHBondContact O-N 3.26Å; F1459-S1468 WeakPolarHBondContact CD1-O 3.49Å; F1459-S1468 WeakPolarHBondContact CE1-O 3.23Å; F1459-A1470 HydrophobicContact CD2-CB 4.18Å; F1459-A1470 HydrophobicContact CE1-CB 4.27Å; F1459-A1470 HydrophobicContact CE2-CB 3.91Å; F1459-A1470 HydrophobicContact CG-CB 4.49Å; F1459-A1470 HydrophobicContact CZ-CB 3.98Å; F1459-F1539 VanDerWaalsContact CA-CE2 3.49Å; F1459-F1539 HydrophobicContact CB-CE2 3.76Å; F1459-F1539 HydrophobicContact CD2-CE2 4.06Å; F1459-F1539 HydrophobicContact CD2-CZ 4.48Å; F1459-F1539 HydrophobicContact CG-CE2 4.43Å; F1459-L1553 HydrophobicContact CE2-CD1 4.06Å; F1459-L1553 HydrophobicContact CZ-CD1 3.64Å |
| 1460 | Q | 93.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.7 | -26 | -178.7 | -56.1 | -49.8 | -53.8 | 0 | 0 | 113.3 | F338 F342 L1456 F1457 W1458 F1462 N1463 F1465 S1468 N1469 | F338-Q1460 HydrophobicContact CD1-CG 4.37Å; F338-Q1460 HydrophobicContact CE1-CB 4.28Å; F338-Q1460 HydrophobicContact CE1-CG 3.71Å; F338-Q1460 HydrophobicContact CZ-CG 4.47Å; F342-Q1460 HydrophobicContact CZ-CG 3.94Å; L1456-Q1460 WeakPolarHBondContact O-CG 3.22Å; L1456-Q1460 PolarHBondContact O-N 3.01Å; L1456-Q1460 PolarHBondContact O-NE2 3.16Å; F1457-Q1460 WeakPolarHBondContact O-CB 3.32Å; F1457-Q1460 PolarHBondContact O-N 2.85Å; W1458-Q1460 PolarHBondContact O-N 2.96Å; Q1460-F1462 PolarHBondContact O-N 3.47Å; Q1460-N1463 WeakPolarHBondContact CA-OD1 3.44Å; Q1460-N1463 PolarHBondContact O-OD1 3.48Å; Q1460-N1463 PolarHBondContact OE1-ND2 2.91Å; Q1460-N1463 PolarHBondContact OE1-OD1 3.28Å; Q1460-F1465 HydrophobicContact CB-CD1 3.89Å; Q1460-F1465 HydrophobicContact CB-CE1 4.33Å; Q1460-F1465 WeakPolarHBondContact O-CA 3.48Å; Q1460-F1465 PolarHBondContact O-N 3.44Å; Q1460-S1468 PolarHBondContact NE2-O 2.97Å; Q1460-S1468 PolarHBondContact OE1-O 3.16Å; Q1460-N1469 PolarHBondContact NE2-OD1 3.5Å |
| 1461 | M | 91.2 | Very high | 90.6 | Very high | 73 Ų | 73 | 22.1 Ų | 22.1 | 36% | 0.36 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -23.7 | 176.5 | -54.1 | -168.5 | -51.4 | 0 | 0 | 112.9 | W1458 F1459 F1465 F1540 | W1458-M1461 HydrophobicContact CE3-CE 3.66Å; W1458-M1461 HydrophobicContact CE3-SD 3.91Å; W1458-M1461 HydrophobicContact CZ3-CE 4.3Å; W1458-M1461 HydrophobicContact CZ3-SD 4.2Å; W1458-M1461 PolarHBondContact O-N 3.05Å; F1459-M1461 PolarHBondContact O-N 3.47Å; M1461-F1465 HydrophobicContact CB-CZ 4.29Å; M1461-F1465 HydrophobicContact CG-CE1 4.22Å; M1461-F1465 HydrophobicContact CG-CZ 4.08Å; M1461-F1540 HydrophobicContact CE-CZ 4.1Å |
| 1462 | F | 89.3 | Confident | 90.1 | Very high | 89 Ų | 89 | 22.5 Ų | 22.5 | 39% | 0.39 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -14.6 | -176.4 | -62.6 | -91 | 0 | 0 | 0 | 113.3 | W1458 F1459 Q1460 F1539 F1540 Y1543 | W1458-F1462 VanDerWaalsContact O-CD2 3.29Å; W1458-F1462 WeakPolarHBondContact O-CD2 3.17Å; F1459-F1462 PolarHBondContact O-N 3.27Å; Q1460-F1462 PolarHBondContact O-N 3.47Å; F1462-F1539 AromaticContact CD2-CE1 3.68Å; F1462-F1539 HydrophobicContact CD2-CE1 3.68Å; F1462-F1539 AromaticContact CD2-CZ 3.61Å; F1462-F1539 HydrophobicContact CD2-CZ 3.61Å; F1462-F1539 HydrophobicContact CE2-CD1 4.4Å; F1462-F1539 AromaticContact CE2-CE1 3.39Å; F1462-F1539 HydrophobicContact CE2-CE1 3.39Å; F1462-F1539 AromaticContact CE2-CZ 3.86Å; F1462-F1539 HydrophobicContact CE2-CZ 3.86Å; F1462-F1539 HydrophobicContact CG-CZ 4.42Å; F1462-F1539 HydrophobicContact CZ-CE1 4.16Å; F1462-F1540 HydrophobicContact CE2-CE1 4.34Å; F1462-F1540 HydrophobicContact CE2-CZ 4.32Å; F1462-F1540 AromaticContact CZ-CE1 3.93Å; F1462-F1540 HydrophobicContact CZ-CE1 3.93Å; F1462-F1540 HydrophobicContact CZ-CZ 4.29Å; F1462-Y1543 AromaticContact CD1-CE2 4Å; F1462-Y1543 HydrophobicContact CD1-CE2 4Å; F1462-Y1543 AromaticContact CD1-CZ 3.97Å; F1462-Y1543 AromaticContact CE1-CE1 3.99Å; F1462-Y1543 HydrophobicContact CE1-CE1 3.99Å; F1462-Y1543 HydrophobicContact CE1-CE2 4.12Å; F1462-Y1543 AromaticContact CE1-CZ 3.72Å |
| 1463 | N | 88 | Confident | 89.6 | Confident | 29 Ų | 29 | 23 Ų | 23 | 16% | 0.155 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 13.4 | 179.6 | 78.7 | 5.9 | 0 | 0 | 0 | 114.3 | F1459 Q1460 F1465 S1466 S1468 | F1459-N1463 HydrophobicContact CE1-CB 4.03Å; F1459-N1463 HydrophobicContact CZ-CB 4.22Å; F1459-N1463 PolarHBondContact O-N 3.26Å; Q1460-N1463 WeakPolarHBondContact CA-OD1 3.44Å; Q1460-N1463 PolarHBondContact O-OD1 3.48Å; Q1460-N1463 PolarHBondContact OE1-ND2 2.91Å; Q1460-N1463 PolarHBondContact OE1-OD1 3.28Å; N1463-F1465 VanDerWaalsContact OD1-CA 3.32Å; N1463-F1465 WeakPolarHBondContact OD1-CA 3.4Å; N1463-F1465 PolarHBondContact OD1-N 3.25Å; N1463-S1466 VanDerWaalsContact CG-OG 3.25Å; N1463-S1466 PolarHBondContact ND2-OG 3.12Å; N1463-S1466 WeakPolarHBondContact O-CB 3.15Å; N1463-S1466 PolarHBondContact O-OG 2.93Å; N1463-S1466 PolarHBondContact OD1-N 2.82Å; N1463-S1466 VanDerWaalsContact OD1-N 3.09Å; N1463-S1466 PolarHBondContact OD1-OG 3.06Å; N1463-S1468 PolarHBondContact ND2-O 3.43Å; N1463-S1468 PolarHBondContact ND2-OG 3.47Å |
| 1464 | G | 85.5 | Confident | 89 | Confident | 7 Ų | 7 | 24.4 Ų | 24.4 | 7% | 0.072 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 18.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | S1466 | G1464-S1466 VanDerWaalsContact C-N 3.3Å; G1464-S1466 PolarHBondContact O-N 3.1Å |
| 1465 | F | 90 | Very high | 88.5 | Confident | 36 Ų | 36 | 24.2 Ų | 24.2 | 16% | 0.158 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 52.9 | 46.3 | -169.6 | -57.7 | -86.4 | 0 | 0 | 0 | 112.3 | S301 F338 Q1460 M1461 N1463 | S301-F1465 WeakPolarHBondContact CB-O 3.26Å; S301-F1465 PolarHBondContact OG-O 3.21Å; S301-F1465 VanDerWaalsContact OG-O 3.05Å; F338-F1465 HydrophobicContact CE2-CB 4.41Å; F338-F1465 HydrophobicContact CZ-CB 3.99Å; F338-F1465 HydrophobicContact CZ-CD1 4.47Å; Q1460-F1465 HydrophobicContact CB-CD1 3.89Å; Q1460-F1465 HydrophobicContact CB-CE1 4.33Å; Q1460-F1465 WeakPolarHBondContact O-CA 3.48Å; Q1460-F1465 PolarHBondContact O-N 3.44Å; M1461-F1465 HydrophobicContact CB-CZ 4.29Å; M1461-F1465 HydrophobicContact CG-CE1 4.22Å; M1461-F1465 HydrophobicContact CG-CZ 4.08Å; N1463-F1465 VanDerWaalsContact OD1-CA 3.32Å; N1463-F1465 WeakPolarHBondContact OD1-CA 3.4Å; N1463-F1465 PolarHBondContact OD1-N 3.25Å |
| 1466 | S | 86.2 | Confident | 88.1 | Confident | 44 Ų | 44 | 24.3 Ų | 24.3 | 31% | 0.308 | 13% | 0.128 | S | C | . | . | trans | -84.2 | -10.1 | -177.9 | 51.5 | 0 | 0 | 0 | 0 | 114.6 | R337 N1463 G1464 S1468 | R337-S1466 PolarHBondContact NH1-O 3Å; N1463-S1466 VanDerWaalsContact CG-OG 3.25Å; N1463-S1466 PolarHBondContact ND2-OG 3.12Å; N1463-S1466 WeakPolarHBondContact O-CB 3.15Å; N1463-S1466 PolarHBondContact O-OG 2.93Å; N1463-S1466 PolarHBondContact OD1-N 2.82Å; N1463-S1466 VanDerWaalsContact OD1-N 3.09Å; N1463-S1466 PolarHBondContact OD1-OG 3.06Å; G1464-S1466 VanDerWaalsContact C-N 3.3Å; G1464-S1466 PolarHBondContact O-N 3.1Å; S1466-S1468 PolarHBondContact O-N 2.82Å; S1466-S1468 PolarHBondContact OG-OG 2.92Å | ||
| 1467 | G | 83.1 | Confident | 87.5 | Confident | 8 Ų | 8 | 24.8 Ų | 24.8 | 8% | 0.082 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 74.1 | 11.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | I341 | I341-G1467 WeakPolarHBondContact CD1-O 3.49Š|
| 1468 | S | 86 | Confident | 87 | Confident | 49 Ų | 49 | 25.1 Ų | 25.1 | 34% | 0.343 | 13% | 0.133 | S | C | . | . | trans | -78.2 | 151.1 | 169.7 | 58 | 0 | 0 | 0 | 0 | 111 | F1459 Q1460 N1463 S1466 | F1459-S1468 WeakPolarHBondContact CD1-O 3.49Å; F1459-S1468 WeakPolarHBondContact CE1-O 3.23Å; Q1460-S1468 PolarHBondContact NE2-O 2.97Å; Q1460-S1468 PolarHBondContact OE1-O 3.16Å; N1463-S1468 PolarHBondContact ND2-O 3.43Å; N1463-S1468 PolarHBondContact ND2-OG 3.47Å; S1466-S1468 PolarHBondContact O-N 2.82Å; S1466-S1468 PolarHBondContact OG-OG 2.92Å | ||
| 1469 | N | 86.8 | Confident | 86.8 | Confident | 16 Ų | 16 | 23.3 Ų | 23.3 | 9% | 0.086 | 13% | 0.126 | C | C | . | . | trans | -121.4 | 148.8 | 176.4 | -68.7 | -29.9 | 0 | 0 | 0 | 110.8 | L1456 Q1460 Q1476 | L1456-N1469 HydrophobicContact CD2-CB 4.31Å; Q1460-N1469 PolarHBondContact NE2-OD1 3.5Å; N1469-Q1476 PolarHBondContact ND2-OE1 3.09Å | ||
| 1470 | A | 87 | Confident | 86.4 | Confident | 2 Ų | 2 | 22.2 Ų | 22.2 | 2% | 0.017 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -79.6 | -26.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F1459 L1553 W1554 F1556 G1557 | F1459-A1470 HydrophobicContact CD2-CB 4.18Å; F1459-A1470 HydrophobicContact CE1-CB 4.27Å; F1459-A1470 HydrophobicContact CE2-CB 3.91Å; F1459-A1470 HydrophobicContact CG-CB 4.49Å; F1459-A1470 HydrophobicContact CZ-CB 3.98Å; A1470-L1553 HydrophobicContact CB-CD1 3.58Å; A1470-L1553 HydrophobicContact CB-CG 4.32Å; A1470-W1554 VanDerWaalsContact O-CE3 3.3Å; A1470-F1556 HydrophobicContact CB-CD1 4.3Å; A1470-G1557 WeakPolarHBondContact O-CA 3.46Å |
| 1471 | I | 88.4 | Confident | 86 | Confident | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -90.1 | 137.9 | 178.5 | -51.1 | 173.2 | 0 | 0 | 0 | 108.6 | Y1452 L1455 L1456 T1561 | Y1452-I1471 HydrophobicContact CE2-CD1 3.9Å; Y1452-I1471 VanDerWaalsContact OH-CG2 3.24Å; Y1452-I1471 WeakPolarHBondContact OH-CG2 3.17Å; L1455-I1471 HydrophobicContact CD2-CD1 4Å; L1456-I1471 HydrophobicContact CD2-CD1 4.13Å; I1471-T1561 WeakPolarHBondContact CG2-OG1 3.4Å |
| 1472 | D | 83.4 | Confident | 85.7 | Confident | 10 Ų | 10 | 23.7 Ų | 23.7 | 5% | 0.053 | 14% | 0.135 | C | C | . | . | trans | -65.8 | 147.8 | -179 | 70 | -82.1 | 0 | 0 | 0 | 112.7 | L1474 S1475 Q1476 W1554 E1613 | D1472-L1474 PolarHBondContact O-N 2.88Å; D1472-L1474 VanDerWaalsContact O-N 3.15Å; D1472-L1474 WeakPolarHBondContact OD2-CB 3.45Å; D1472-L1474 PolarHBondContact OD2-N 3.46Å; D1472-S1475 VanDerWaalsContact CG-OG 3.27Å; D1472-S1475 PolarHBondContact O-N 3.49Å; D1472-S1475 WeakPolarHBondContact OD1-CB 2.61Å; D1472-S1475 PolarHBondContact OD1-OG 2.73Å; D1472-S1475 PolarHBondContact OD2-N 2.72Å; D1472-S1475 PolarHBondContact OD2-OG 2.86Å; D1472-Q1476 PolarHBondContact O-N 3.18Å; D1472-W1554 HydrophobicContact CB-CZ3 4.49Å; D1472-E1613 WeakPolarHBondContact CA-OE2 2.47Å | ||
| 1473 | Q | 83.3 | Confident | 85.7 | Confident | 11 Ų | 11 | 19.5 Ų | 19.5 | 5% | 0.051 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -51.1 | -40 | 179.8 | 160.8 | 172.8 | 0.6 | 0 | 0 | 112.5 | F81 Q1476 M1477 E1613 | F81-Q1473 HydrophobicContact CD1-CB 4.15Å; F81-Q1473 HydrophobicContact CD1-CG 3.64Å; F81-Q1473 HydrophobicContact CE1-CG 4.33Å; F81-Q1473 HydrophobicContact CG-CG 4.49Å; Q1473-Q1476 PolarHBondContact O-N 2.88Å; Q1473-M1477 HydrophobicContact CG-CE 3.5Å; Q1473-M1477 VanDerWaalsContact CG-CE 3.5Å; Q1473-M1477 HydrophobicContact CG-SD 4.4Å; Q1473-M1477 WeakPolarHBondContact O-CE 3.45Å; Q1473-M1477 PolarHBondContact O-N 3.14Å; Q1473-M1477 VanDerWaalsContact O-N 3.1Å; Q1473-E1613 PolarHBondContact N-OE2 3.21Å |
| 1474 | L | 82.1 | Confident | 85.9 | Confident | 30 Ų | 30 | 18.1 Ų | 18.1 | 16% | 0.157 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -72.9 | -44.4 | -172.1 | -174.1 | 59.3 | 0 | 0 | 0 | 111.4 | D1472 Q1476 M1477 L1478 F1598 Y1602 | D1472-L1474 PolarHBondContact O-N 2.88Å; D1472-L1474 VanDerWaalsContact O-N 3.15Å; D1472-L1474 WeakPolarHBondContact OD2-CB 3.45Å; D1472-L1474 PolarHBondContact OD2-N 3.46Å; L1474-Q1476 VanDerWaalsContact C-N 3.3Å; L1474-Q1476 PolarHBondContact O-N 2.94Å; L1474-M1477 HydrophobicContact CD1-CE 4.39Å; L1474-M1477 PolarHBondContact O-N 3.36Å; L1474-L1478 HydrophobicContact CD1-CD1 3.84Å; L1474-L1478 HydrophobicContact CD1-CG 4.22Å; L1474-L1478 HydrophobicContact CG-CD1 3.92Å; L1474-L1478 WeakPolarHBondContact O-CB 3.31Å; L1474-L1478 WeakPolarHBondContact O-CG 3.36Å; L1474-L1478 PolarHBondContact O-N 3.34Å; L1474-F1598 HydrophobicContact CD2-CE1 4.13Å; L1474-F1598 HydrophobicContact CD2-CZ 3.93Å; L1474-F1598 HydrophobicContact CG-CE1 4.36Å; L1474-F1598 HydrophobicContact CG-CZ 4.32Å; L1474-Y1602 HydrophobicContact CB-CE1 4.3Å; L1474-Y1602 HydrophobicContact CD2-CD1 4.21Å; L1474-Y1602 HydrophobicContact CD2-CD2 3.69Å; L1474-Y1602 HydrophobicContact CD2-CE1 4.07Å; L1474-Y1602 HydrophobicContact CD2-CE2 3.54Å; L1474-Y1602 HydrophobicContact CD2-CG 4.06Å |
| 1475 | S | 84.2 | Confident | 86.1 | Confident | 4 Ų | 4 | 18.3 Ų | 18.3 | 3% | 0.028 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.2 | -41.6 | 169.8 | -65.5 | 0 | 0 | 0 | 0 | 111.6 | D1472 M1477 L1478 F1479 | D1472-S1475 VanDerWaalsContact CG-OG 3.27Å; D1472-S1475 PolarHBondContact O-N 3.49Å; D1472-S1475 WeakPolarHBondContact OD1-CB 2.61Å; D1472-S1475 PolarHBondContact OD1-OG 2.73Å; D1472-S1475 PolarHBondContact OD2-N 2.72Å; D1472-S1475 PolarHBondContact OD2-OG 2.86Å; S1475-M1477 PolarHBondContact O-N 2.88Å; S1475-L1478 PolarHBondContact O-N 3.29Å; S1475-F1479 WeakPolarHBondContact O-CB 3.46Å; S1475-F1479 PolarHBondContact O-N 3.22Å |
| 1476 | Q | 86.1 | Confident | 86.1 | Confident | 4 Ų | 4 | 19.4 Ų | 19.4 | 2% | 0.019 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.4 | -39.9 | 178.4 | 173.7 | 162.2 | 13.6 | 0 | 0 | 113.6 | F81 I341 Y1452 L1456 N1469 D1472 Q1473 L1474 | F81-Q1476 HydrophobicContact CE1-CG 4.16Å; F81-Q1476 HydrophobicContact CZ-CG 4.04Å; I341-Q1476 PolarHBondContact O-NE2 3.49Å; Y1452-Q1476 HydrophobicContact CE1-CB 4.31Å; Y1452-Q1476 HydrophobicContact CE1-CG 4.09Å; Y1452-Q1476 WeakPolarHBondContact OH-CA 3.31Å; L1456-Q1476 VanDerWaalsContact CD1-NE2 3.28Å; N1469-Q1476 PolarHBondContact ND2-OE1 3.09Å; D1472-Q1476 PolarHBondContact O-N 3.18Å; Q1473-Q1476 PolarHBondContact O-N 2.88Å; L1474-Q1476 VanDerWaalsContact C-N 3.3Å; L1474-Q1476 PolarHBondContact O-N 2.94Å |
| 1477 | M | 81.3 | Confident | 86.4 | Confident | 14 Ų | 14 | 17.6 Ų | 17.6 | 7% | 0.069 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -76.1 | -36.2 | 175.3 | -69.3 | 179.5 | -60.8 | 0 | 0 | 112.9 | I85 P89 Q1473 L1474 S1475 | I85-M1477 HydrophobicContact CB-CE 3.92Å; I85-M1477 HydrophobicContact CG2-CE 3.33Å; I85-M1477 HydrophobicContact CG2-SD 4.27Å; P89-M1477 HydrophobicContact CG-CB 4.18Å; Q1473-M1477 HydrophobicContact CG-CE 3.5Å; Q1473-M1477 VanDerWaalsContact CG-CE 3.5Å; Q1473-M1477 HydrophobicContact CG-SD 4.4Å; Q1473-M1477 WeakPolarHBondContact O-CE 3.45Å; Q1473-M1477 PolarHBondContact O-N 3.14Å; Q1473-M1477 VanDerWaalsContact O-N 3.1Å; L1474-M1477 HydrophobicContact CD1-CE 4.39Å; L1474-M1477 PolarHBondContact O-N 3.36Å; S1475-M1477 PolarHBondContact O-N 2.88Å |
| 1478 | L | 84.8 | Confident | 86.9 | Confident | 34 Ų | 34 | 17.2 Ų | 17.2 | 18% | 0.178 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -83.5 | -21.4 | -175.5 | -68.9 | 178.5 | 0 | 0 | 0 | 114.3 | L1474 S1475 S1480 V1481 T1482 M1483 F1598 | L1474-L1478 HydrophobicContact CD1-CD1 3.84Å; L1474-L1478 HydrophobicContact CD1-CG 4.22Å; L1474-L1478 HydrophobicContact CG-CD1 3.92Å; L1474-L1478 WeakPolarHBondContact O-CB 3.31Å; L1474-L1478 WeakPolarHBondContact O-CG 3.36Å; L1474-L1478 PolarHBondContact O-N 3.34Å; S1475-L1478 PolarHBondContact O-N 3.29Å; L1478-S1480 VanDerWaalsContact C-N 3.3Å; L1478-S1480 PolarHBondContact O-N 3.09Å; L1478-V1481 PolarHBondContact O-N 3.04Å; L1478-T1482 HydrophobicContact CD2-CG2 4.21Å; L1478-T1482 PolarHBondContact O-N 3.26Å; L1478-T1482 PolarHBondContact O-OG1 2.94Å; L1478-M1483 HydrophobicContact CB-CE 4.13Å; L1478-M1483 HydrophobicContact CD1-CE 4.45Å; L1478-M1483 PolarHBondContact O-N 3.46Å; L1478-F1598 HydrophobicContact CD1-CD1 4.42Å; L1478-F1598 HydrophobicContact CD1-CE1 3.5Å; L1478-F1598 VanDerWaalsContact CD1-CE1 3.5Å; L1478-F1598 HydrophobicContact CD1-CE2 4.11Å; L1478-F1598 HydrophobicContact CD1-CZ 3.31Å |
| 1479 | F | 88.6 | Confident | 87.2 | Confident | 3 Ų | 3 | 17.4 Ų | 17.4 | 1% | 0.013 | 10% | 0.096 | C | C | . | . | I | π-helix | trans | -47.5 | -49.7 | -177.9 | 173.7 | -94.4 | 0 | 0 | 0 | 112.8 | D1449 Y1452 S1475 T1484 T1564 I1565 | D1449-F1479 WeakPolarHBondContact OD1-CE1 3.4Å; Y1452-F1479 HydrophobicContact CD1-CD1 4.26Å; Y1452-F1479 HydrophobicContact CD1-CG 4.5Å; Y1452-F1479 HydrophobicContact CD2-CB 4.42Å; Y1452-F1479 AromaticContact CD2-CD1 3.81Å; Y1452-F1479 HydrophobicContact CD2-CD1 3.81Å; Y1452-F1479 AromaticContact CD2-CD2 3.58Å; Y1452-F1479 HydrophobicContact CD2-CD2 3.58Å; Y1452-F1479 AromaticContact CD2-CE1 3.92Å; Y1452-F1479 HydrophobicContact CD2-CE1 3.92Å; Y1452-F1479 AromaticContact CD2-CE2 3.68Å; Y1452-F1479 HydrophobicContact CD2-CE2 3.68Å; Y1452-F1479 AromaticContact CD2-CG 3.65Å; Y1452-F1479 HydrophobicContact CD2-CG 3.65Å; Y1452-F1479 AromaticContact CD2-CZ 3.85Å; Y1452-F1479 HydrophobicContact CD2-CZ 3.85Å; Y1452-F1479 HydrophobicContact CE2-CB 4.2Å; Y1452-F1479 HydrophobicContact CE2-CD1 4.43Å; Y1452-F1479 AromaticContact CE2-CD2 3.77Å; Y1452-F1479 HydrophobicContact CE2-CD2 3.77Å; Y1452-F1479 HydrophobicContact CE2-CE2 4.27Å; Y1452-F1479 AromaticContact CE2-CG 3.86Å; Y1452-F1479 HydrophobicContact CE2-CG 3.86Å; Y1452-F1479 AromaticContact CG-CD1 3.72Å; Y1452-F1479 HydrophobicContact CG-CD1 3.72Å; Y1452-F1479 HydrophobicContact CG-CD2 4.35Å; Y1452-F1479 AromaticContact CG-CE1 3.83Å; Y1452-F1479 HydrophobicContact CG-CE1 3.83Å; Y1452-F1479 HydrophobicContact CG-CE2 4.43Å; Y1452-F1479 HydrophobicContact CG-CG 4Å; Y1452-F1479 HydrophobicContact CG-CZ 4.18Å; S1475-F1479 WeakPolarHBondContact O-CB 3.46Å; S1475-F1479 PolarHBondContact O-N 3.22Å; F1479-T1484 HydrophobicContact CD2-CG2 4.15Å; F1479-T1484 HydrophobicContact CE1-CG2 4.26Å; F1479-T1484 HydrophobicContact CE2-CG2 3.66Å; F1479-T1484 HydrophobicContact CZ-CG2 3.72Å; F1479-T1484 WeakPolarHBondContact O-CB 3.02Å; F1479-T1484 PolarHBondContact O-N 3.47Å; F1479-T1484 PolarHBondContact O-OG1 3.19Å; F1479-T1564 HydrophobicContact CE2-CG2 4.01Å; F1479-T1564 HydrophobicContact CZ-CG2 4.11Å; F1479-I1565 HydrophobicContact CD2-CD1 4.41Å; F1479-I1565 HydrophobicContact CD2-CG1 3.89Å; F1479-I1565 HydrophobicContact CE2-CG1 3.79Å |
| 1480 | S | 86.9 | Confident | 87.6 | Confident | 2 Ų | 2 | 17.3 Ų | 17.3 | 1% | 0.014 | 10% | 0.096 | C | C | . | . | I | π-helix | trans | -77.3 | -38.4 | -174.9 | -175.5 | 0 | 0 | 0 | 0 | 113.2 | P349 K1448 D1449 L1478 G1485 | P349-S1480 VanDerWaalsContact CD-OG 3.31Å; P349-S1480 WeakPolarHBondContact CD-OG 3.49Å; K1448-S1480 VanDerWaalsContact NZ-CA 3.31Å; K1448-S1480 PolarHBondContact NZ-O 3.04Å; K1448-S1480 VanDerWaalsContact NZ-O 3.17Å; K1448-S1480 PolarHBondContact NZ-OG 3.01Å; D1449-S1480 VanDerWaalsContact CG-OG 3.29Å; D1449-S1480 WeakPolarHBondContact OD1-CB 3.4Å; D1449-S1480 PolarHBondContact OD1-OG 3.47Å; D1449-S1480 WeakPolarHBondContact OD2-CB 3.4Å; D1449-S1480 PolarHBondContact OD2-OG 3.29Å; L1478-S1480 VanDerWaalsContact C-N 3.3Å; L1478-S1480 PolarHBondContact O-N 3.09Å; S1480-G1485 PolarHBondContact O-N 3.04Å |
| 1481 | V | 83.7 | Confident | 87.8 | Confident | 48 Ų | 48 | 17.6 Ų | 17.6 | 29% | 0.291 | 10% | 0.097 | S | C | . | . | I | π-helix | trans | -84.3 | -49.9 | -170.1 | -178.1 | 0 | 0 | 0 | 0 | 112.6 | L348 L1478 | L348-V1481 HydrophobicContact CD2-CG2 3.97Å; L1478-V1481 PolarHBondContact O-N 3.04Å |
| 1482 | T | 85.2 | Confident | 88 | Confident | 55 Ų | 55 | 17.5 Ų | 17.5 | 34% | 0.337 | 10% | 0.096 | S | C | . | . | I | π-helix | trans | -102.4 | -54.9 | -174.3 | 59.6 | 0 | 0 | 0 | 0 | 111.4 | L1478 T1484 S1594 | L1478-T1482 HydrophobicContact CD2-CG2 4.21Å; L1478-T1482 PolarHBondContact O-N 3.26Å; L1478-T1482 PolarHBondContact O-OG1 2.94Å; T1482-T1484 PolarHBondContact O-N 3.01Å; T1482-S1594 WeakPolarHBondContact CB-OG 3.32Å; T1482-S1594 PolarHBondContact O-OG 2.95Å |
| 1483 | M | 89.3 | Confident | 88.5 | Confident | 2 Ų | 2 | 17.1 Ų | 17.1 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | I | π-helix | trans | -61.6 | -47.7 | -171.3 | -48.7 | -51.3 | -176.3 | 0 | 0 | 112 | L1478 I1565 S1590 S1594 Y1595 F1598 | L1478-M1483 HydrophobicContact CB-CE 4.13Å; L1478-M1483 HydrophobicContact CD1-CE 4.45Å; L1478-M1483 PolarHBondContact O-N 3.46Å; M1483-I1565 HydrophobicContact CB-CD1 4.13Å; M1483-I1565 HydrophobicContact CG-CD1 4.3Å; M1483-S1590 WeakPolarHBondContact O-CB 3.21Å; M1483-S1590 PolarHBondContact O-OG 3.3Å; M1483-S1594 WeakPolarHBondContact CE-O 3.37Å; M1483-S1594 PolarHBondContact SD-OG 3.42Å; M1483-S1594 VanDerWaalsContact SD-OG 3.37Å; M1483-Y1595 HydrophobicContact CE-CD2 4.49Å; M1483-Y1595 HydrophobicContact SD-CD2 4.39Å; M1483-F1598 HydrophobicContact CE-CD1 3.72Å; M1483-F1598 HydrophobicContact CE-CE1 4.25Å; M1483-F1598 HydrophobicContact CE-CG 4.28Å |
| 1484 | T | 92.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 6.9 | -176 | 66.3 | 0 | 0 | 0 | 0 | 114.5 | K1448 F1479 T1482 P1488 | K1448-T1484 PolarHBondContact NZ-OG1 3.28Å; F1479-T1484 HydrophobicContact CD2-CG2 4.15Å; F1479-T1484 HydrophobicContact CE1-CG2 4.26Å; F1479-T1484 HydrophobicContact CE2-CG2 3.66Å; F1479-T1484 HydrophobicContact CZ-CG2 3.72Å; F1479-T1484 WeakPolarHBondContact O-CB 3.02Å; F1479-T1484 PolarHBondContact O-N 3.47Å; F1479-T1484 PolarHBondContact O-OG1 3.19Å; T1482-T1484 PolarHBondContact O-N 3.01Å; T1484-P1488 WeakPolarHBondContact O-CD 3.41Å |
| 1485 | G | 88.4 | Confident | 89.4 | Confident | 10 Ų | 10 | 18 Ų | 18 | 10% | 0.103 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -28.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | S1480 P1488 | S1480-G1485 PolarHBondContact O-N 3.04Å; G1485-P1488 WeakPolarHBondContact O-CD 3.46Å; G1485-P1488 WeakPolarHBondContact O-CG 3.18Å |
| 1486 | L | 91.9 | Very high | 89.6 | Confident | 59 Ų | 59 | 20.4 Ų | 20.4 | 31% | 0.309 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -73 | -42.5 | -175.9 | -169.5 | 65.5 | 0 | 0 | 0 | 114.7 | F1489 I1490 S1586 V1589 | L1486-F1489 HydrophobicContact CD1-CD1 4.2Å; L1486-F1489 WeakPolarHBondContact O-CB 3.46Å; L1486-F1489 PolarHBondContact O-N 2.88Å; L1486-I1490 HydrophobicContact CD1-CG1 4.44Å; L1486-I1490 HydrophobicContact CG-CG1 4.34Å; L1486-I1490 PolarHBondContact O-N 3.04Å; L1486-I1490 VanDerWaalsContact O-N 3.13Å; L1486-S1586 WeakPolarHBondContact CG-OG 3.25Å; L1486-V1589 HydrophobicContact CD2-CB 4.17Å; L1486-V1589 HydrophobicContact CD2-CG1 3.86Å |
| 1487 | P | 92.4 | Very high | 89.5 | Confident | 6 Ų | 6 | 20.4 Ų | 20.4 | 4% | 0.039 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -56 | -48.6 | 179.6 | -23.1 | 31.5 | 0 | 0 | 0 | 115.8 | F1489 I1490 M1491 L1569 S1572 S1586 | P1487-F1489 VanDerWaalsContact C-N 3.27Å; P1487-F1489 PolarHBondContact O-N 3.45Å; P1487-I1490 PolarHBondContact O-N 3.34Å; P1487-M1491 WeakPolarHBondContact O-CG 3.06Å; P1487-M1491 PolarHBondContact O-N 3.16Å; P1487-L1569 HydrophobicContact CG-CD2 3.58Å; P1487-S1572 WeakPolarHBondContact CB-OG 3.42Å; P1487-S1586 WeakPolarHBondContact CA-OG 3.46Å |
| 1488 | P | 92.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.5 | -31.7 | 178.9 | 20.3 | -29.1 | 0 | 0 | 0 | 113.1 | Y1444 L1445 T1484 G1485 G1492 | Y1444-P1488 HydrophobicContact CD1-CB 4.03Å; Y1444-P1488 HydrophobicContact CD1-CG 4.3Å; Y1444-P1488 HydrophobicContact CE1-CG 4.42Å; L1445-P1488 HydrophobicContact CD1-CB 4.45Å; L1445-P1488 HydrophobicContact CD2-CB 3.83Å; L1445-P1488 HydrophobicContact CD2-CG 3.56Å; L1445-P1488 HydrophobicContact CG-CB 3.86Å; L1445-P1488 HydrophobicContact CG-CG 4.17Å; T1484-P1488 WeakPolarHBondContact O-CD 3.41Å; G1485-P1488 WeakPolarHBondContact O-CD 3.46Å; G1485-P1488 WeakPolarHBondContact O-CG 3.18Å; P1488-G1492 PolarHBondContact O-N 3.07Å |
| 1489 | F | 92.5 | Very high | 90.1 | Very high | 54 Ų | 54 | 20.5 Ų | 20.5 | 24% | 0.237 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.5 | -46 | 173.9 | 173.4 | -107.3 | 0 | 0 | 0 | 111.7 | T353 F356 V357 L1486 P1487 G1492 I1493 | T353-F1489 HydrophobicContact CG2-CB 4.17Å; F356-F1489 HydrophobicContact CB-CD2 4.31Å; F356-F1489 HydrophobicContact CB-CE2 3.83Å; V357-F1489 HydrophobicContact CG2-CD2 3.97Å; L1486-F1489 HydrophobicContact CD1-CD1 4.2Å; L1486-F1489 WeakPolarHBondContact O-CB 3.46Å; L1486-F1489 PolarHBondContact O-N 2.88Å; P1487-F1489 VanDerWaalsContact C-N 3.27Å; P1487-F1489 PolarHBondContact O-N 3.45Å; F1489-G1492 PolarHBondContact O-N 3.49Å; F1489-I1493 HydrophobicContact CD1-CD1 4.34Å; F1489-I1493 HydrophobicContact CD2-CD1 3.95Å; F1489-I1493 HydrophobicContact CE1-CD1 3.88Å; F1489-I1493 HydrophobicContact CE2-CD1 3.41Å; F1489-I1493 VanDerWaalsContact CE2-CD1 3.41Å; F1489-I1493 HydrophobicContact CG-CD1 4.38Å; F1489-I1493 HydrophobicContact CZ-CD1 3.39Å; F1489-I1493 WeakPolarHBondContact O-CG1 3.28Å; F1489-I1493 PolarHBondContact O-N 3.36Å |
| 1490 | I | 94.1 | Very high | 90.2 | Very high | 14 Ų | 14 | 22.6 Ų | 22.6 | 7% | 0.072 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.5 | -41.5 | 177.5 | -60.2 | -57 | 0 | 0 | 0 | 111.6 | L1486 P1487 I1493 W1494 L1582 | L1486-I1490 HydrophobicContact CD1-CG1 4.44Å; L1486-I1490 HydrophobicContact CG-CG1 4.34Å; L1486-I1490 PolarHBondContact O-N 3.04Å; L1486-I1490 VanDerWaalsContact O-N 3.13Å; P1487-I1490 PolarHBondContact O-N 3.34Å; I1490-I1493 PolarHBondContact O-N 3.23Å; I1490-W1494 HydrophobicContact CD1-CE3 4.04Å; I1490-W1494 HydrophobicContact CD1-CZ3 3.74Å; I1490-W1494 HydrophobicContact CG2-CE3 4.18Å; I1490-W1494 PolarHBondContact O-N 3.43Å; I1490-L1582 HydrophobicContact CG2-CB 3.99Å |
| 1491 | M | 92.8 | Very high | 90.4 | Very high | 8 Ų | 8 | 28.9 Ų | 28.9 | 4% | 0.039 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -56.2 | -50.6 | 174.1 | -73.2 | 172.7 | 142.1 | 0 | 0 | 111.8 | Y1444 P1487 I1493 W1494 D1495 S1572 I1575 T1576 | Y1444-M1491 HydrophobicContact CG-SD 4.42Å; P1487-M1491 WeakPolarHBondContact O-CG 3.06Å; P1487-M1491 PolarHBondContact O-N 3.16Å; M1491-I1493 PolarHBondContact O-N 3.45Å; M1491-I1493 VanDerWaalsContact O-N 3.08Å; M1491-W1494 PolarHBondContact O-N 3.16Å; M1491-D1495 PolarHBondContact O-N 3.43Å; M1491-D1495 VanDerWaalsContact O-N 3.13Å; M1491-S1572 WeakPolarHBondContact CE-O 3.24Å; M1491-S1572 VanDerWaalsContact CE-OG 3.23Å; M1491-S1572 WeakPolarHBondContact CE-OG 3.46Å; M1491-I1575 HydrophobicContact CE-CB 4.12Å; M1491-I1575 HydrophobicContact CE-CG2 3.92Å; M1491-T1576 VanDerWaalsContact CE-OG1 3.26Å; M1491-T1576 WeakPolarHBondContact CE-OG1 3.46Å |
| 1492 | G | 92 | Very high | 90.8 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.4 | -22.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | V357 Q361 K1437 P1488 F1489 | V357-G1492 VanDerWaalsContact CG1-O 3.29Å; V357-G1492 WeakPolarHBondContact CG1-O 3.11Å; Q361-G1492 PolarHBondContact NE2-O 3.21Å; K1437-G1492 WeakPolarHBondContact CB-O 3.49Å; K1437-G1492 WeakPolarHBondContact CD-O 3.23Å; P1488-G1492 PolarHBondContact O-N 3.07Å; F1489-G1492 PolarHBondContact O-N 3.49Å |
| 1493 | I | 93 | Very high | 91.2 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -101.2 | -45.4 | -179.1 | -59.2 | 165.1 | 0 | 0 | 0 | 111.5 | V357 H360 H364 K1437 F1489 I1490 M1491 | V357-I1493 HydrophobicContact CG1-CG1 4.47Å; V357-I1493 HydrophobicContact CG2-CG1 4.28Å; H360-I1493 HydrophobicContact CB-CD1 3.67Å; H360-I1493 HydrophobicContact CB-CG1 3.97Å; H360-I1493 HydrophobicContact CB-CG2 4.47Å; H364-I1493 WeakPolarHBondContact NE2-CG2 3.45Å; K1437-I1493 WeakPolarHBondContact CE-O 3.36Å; K1437-I1493 PolarHBondContact NZ-O 3Å; F1489-I1493 HydrophobicContact CD1-CD1 4.34Å; F1489-I1493 HydrophobicContact CD2-CD1 3.95Å; F1489-I1493 HydrophobicContact CE1-CD1 3.88Å; F1489-I1493 HydrophobicContact CE2-CD1 3.41Å; F1489-I1493 VanDerWaalsContact CE2-CD1 3.41Å; F1489-I1493 HydrophobicContact CG-CD1 4.38Å; F1489-I1493 HydrophobicContact CZ-CD1 3.39Å; F1489-I1493 WeakPolarHBondContact O-CG1 3.28Å; F1489-I1493 PolarHBondContact O-N 3.36Å; I1490-I1493 PolarHBondContact O-N 3.23Å; M1491-I1493 PolarHBondContact O-N 3.45Å; M1491-I1493 VanDerWaalsContact O-N 3.08Å |
| 1494 | W | 92.7 | Very high | 91.4 | Very high | 53 Ų | 53 | 26 Ų | 26 | 20% | 0.201 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -116.8 | -7.7 | -163.4 | -75.1 | -69.4 | 0 | 0 | 0 | 116.7 | H360 H364 I1490 M1491 N1496 V1580 L1582 | H360-W1494 AromaticContact CE1-CH2 3.87Å; H360-W1494 AromaticContact CE1-CZ2 3.66Å; H360-W1494 AromaticContact NE2-CH2 3.34Å; H360-W1494 VanDerWaalsContact NE2-CH2 3.34Å; H360-W1494 WeakPolarHBondContact NE2-CH2 3.5Å; H360-W1494 AromaticContact NE2-CZ2 3.59Å; H364-W1494 AromaticContact CE1-NE1 3.48Å; H364-W1494 PolarHBondContact CE1-NE1 3.15Å; H364-W1494 AromaticContact NE2-CD1 3.56Å; H364-W1494 AromaticContact NE2-CD2 3.8Å; H364-W1494 AromaticContact NE2-CE2 2.9Å; H364-W1494 AromaticContact NE2-CZ2 3.14Å; H364-W1494 WeakPolarHBondContact NE2-CZ2 3.38Å; H364-W1494 AromaticContact NE2-NE1 2.74Å; H364-W1494 PolarHBondContact NE2-NE1 2.89Å; I1490-W1494 HydrophobicContact CD1-CE3 4.04Å; I1490-W1494 HydrophobicContact CD1-CZ3 3.74Å; I1490-W1494 HydrophobicContact CG2-CE3 4.18Å; I1490-W1494 PolarHBondContact O-N 3.43Å; M1491-W1494 PolarHBondContact O-N 3.16Å; W1494-N1496 VanDerWaalsContact C-N 3.34Å; W1494-N1496 PolarHBondContact O-N 2.96Å; W1494-N1496 PolarHBondContact O-ND2 3.38Å; W1494-V1580 HydrophobicContact CB-CG2 3.99Å; W1494-L1582 HydrophobicContact CD2-CD1 3.65Å; W1494-L1582 HydrophobicContact CE3-CD1 3.72Å; W1494-L1582 HydrophobicContact CG-CD1 4.31Å; W1494-L1582 HydrophobicContact CH2-CD1 3.94Å; W1494-L1582 HydrophobicContact CZ2-CD1 3.85Å; W1494-L1582 HydrophobicContact CZ3-CD1 3.88Å |
| 1495 | D | 92.1 | Very high | 91.3 | Very high | 5 Ų | 5 | 27.2 Ų | 27.2 | 3% | 0.027 | 14% | 0.138 | C | C | . | . | trans | -80.4 | 77.3 | 175.3 | -171.1 | 43.3 | 0 | 0 | 0 | 112.4 | K1437 M1491 R1577 T1578 | K1437-D1495 VanDerWaalsContact CG-O 3.3Å; K1437-D1495 WeakPolarHBondContact CG-O 3.48Å; M1491-D1495 PolarHBondContact O-N 3.43Å; M1491-D1495 VanDerWaalsContact O-N 3.13Å; D1495-R1577 PolarHBondContact O-NH2 3.15Å; D1495-R1577 WeakPolarHBondContact OD1-CA 3.45Å; D1495-R1577 PolarHBondContact OD1-N 3Å; D1495-R1577 IonicContact OD2-CZ 3.7Å; D1495-R1577 PolarHBondContact OD2-N 3.43Å; D1495-R1577 IonicContact OD2-NE 2.76Å; D1495-R1577 PolarHBondContact OD2-NE 3Å; D1495-R1577 IonicContact OD2-NH2 3.93Å; D1495-R1577 PolarHBondContact OD2-NH2 3.25Å; D1495-T1578 WeakPolarHBondContact CA-OG1 3.42Å; D1495-T1578 PolarHBondContact OD1-N 3.1Å; D1495-T1578 PolarHBondContact OD1-OG1 3.38Å | ||
| 1496 | N | 89.7 | Confident | 91.6 | Very high | 56 Ų | 56 | 26.8 Ų | 26.8 | 30% | 0.299 | 13% | 0.134 | S | C | . | . | trans | -72.3 | 131.2 | 176.5 | -54.3 | -72.3 | 0 | 0 | 0 | 110.3 | K1437 W1494 L1498 T1578 | K1437-N1496 WeakPolarHBondContact CE-OD1 3.21Å; K1437-N1496 PolarHBondContact NZ-OD1 3.13Å; W1494-N1496 VanDerWaalsContact C-N 3.34Å; W1494-N1496 PolarHBondContact O-N 2.96Å; W1494-N1496 PolarHBondContact O-ND2 3.38Å; N1496-L1498 VanDerWaalsContact C-N 3.26Å; N1496-L1498 PolarHBondContact O-N 3.41Å; N1496-T1578 PolarHBondContact N-OG1 3.47Å; N1496-T1578 VanDerWaalsContact N-OG1 3.15Å; N1496-T1578 WeakPolarHBondContact O-CG2 3.35Å; N1496-T1578 PolarHBondContact O-OG1 3.1Å; N1496-T1578 VanDerWaalsContact O-OG1 3.11Å | ||
| 1497 | P | 84.2 | Confident | 91.7 | Very high | 4 Ų | 4 | 24.2 Ų | 24.2 | 3% | 0.026 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -65.1 | -32.5 | 177 | 25.7 | -33.7 | 0 | 0 | 0 | 112.6 | D1436 D1658 N1662 | D1436-P1497 WeakPolarHBondContact OD2-CD 3.46Å; D1436-P1497 WeakPolarHBondContact OD2-CG 3.39Å; P1497-D1658 HydrophobicContact CB-CB 4.42Å; P1497-N1662 PolarHBondContact O-ND2 2.91Å |
| 1498 | L | 87.8 | Confident | 91.6 | Very high | 12 Ų | 12 | 24.5 Ų | 24.5 | 6% | 0.063 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -147 | 167.1 | -168.5 | -77.7 | 157.1 | 0 | 0 | 0 | 110.1 | N1496 T1502 L1503 L1509 D1658 N1662 | N1496-L1498 VanDerWaalsContact C-N 3.26Å; N1496-L1498 PolarHBondContact O-N 3.41Å; L1498-T1502 HydrophobicContact CD2-CG2 4.06Å; L1498-L1503 HydrophobicContact CB-CD1 4.31Å; L1498-L1503 HydrophobicContact CB-CD2 4.09Å; L1498-L1503 HydrophobicContact CB-CG 3.93Å; L1498-L1503 HydrophobicContact CD1-CD2 3.67Å; L1498-L1503 HydrophobicContact CD1-CG 4.4Å; L1498-L1509 HydrophobicContact CD1-CD1 3.73Å; L1498-D1658 HydrophobicContact CD1-CB 4.33Å; L1498-N1662 HydrophobicContact CD2-CB 4.03Å |
| 1499 | D | 89.6 | Confident | 91.6 | Very high | 37 Ų | 37 | 24.6 Ų | 24.6 | 20% | 0.198 | 12% | 0.122 | C | C | . | . | trans | -83.1 | 150.7 | 168.5 | 65.8 | -81.1 | 0 | 0 | 0 | 112.1 | K1501 T1502 L1503 R1670 | D1499-K1501 VanDerWaalsContact C-N 3.31Å; D1499-K1501 PolarHBondContact O-N 3.37Å; D1499-T1502 PolarHBondContact O-N 2.91Å; D1499-T1502 VanDerWaalsContact O-N 3.11Å; D1499-T1502 WeakPolarHBondContact OD1-CB 3.41Å; D1499-T1502 PolarHBondContact OD1-OG1 2.89Å; D1499-T1502 PolarHBondContact OD2-N 2.83Å; D1499-T1502 PolarHBondContact OD2-OG1 3.37Å; D1499-L1503 PolarHBondContact O-N 2.85Å; D1499-R1670 WeakPolarHBondContact OD1-CG 3.43Å | ||
| 1500 | D | 90.8 | Very high | 91.7 | Very high | 48 Ų | 48 | 22.2 Ų | 22.2 | 26% | 0.257 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -60.3 | -37.6 | -174.2 | 67.6 | -35.5 | 0 | 0 | 0 | 113.1 | R1425 V1429 L1503 L1504 | R1425-D1500 IonicContact CZ-OD2 2.71Å; R1425-D1500 VanDerWaalsContact CZ-OD2 3.31Å; R1425-D1500 IonicContact NH1-OD2 3.59Å; R1425-D1500 PolarHBondContact NH1-OD2 2.96Å; R1425-D1500 IonicContact NH2-OD2 3.37Å; R1425-D1500 PolarHBondContact NH2-OD2 3.23Å; V1429-D1500 HydrophobicContact CG1-CB 3.6Å; V1429-D1500 HydrophobicContact CG2-CB 4.11Å; D1500-L1503 PolarHBondContact O-N 3.36Å; D1500-L1504 WeakPolarHBondContact O-CG 3.48Å; D1500-L1504 PolarHBondContact O-N 3.27Å |
| 1501 | K | 91.3 | Very high | 91.5 | Very high | 133 Ų | 133 | 23.8 Ų | 23.8 | 58% | 0.578 | 12% | 0.116 | S | C | * | . | H | α-helix | trans | -66.1 | -41.7 | 175.4 | -60.2 | -169.1 | 178.1 | -168.5 | 0 | 111.9 | D1499 L1504 A1505 | D1499-K1501 VanDerWaalsContact C-N 3.31Å; D1499-K1501 PolarHBondContact O-N 3.37Å; K1501-L1504 PolarHBondContact O-N 3.03Å; K1501-A1505 VanDerWaalsContact O-CB 3.27Å; K1501-A1505 WeakPolarHBondContact O-CB 3.47Å; K1501-A1505 PolarHBondContact O-N 2.7Å |
| 1502 | T | 92.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.1 | -38.7 | 175.5 | -61 | 0 | 0 | 0 | 0 | 111.5 | L1498 D1499 A1505 N1506 A1665 G1671 L1674 | L1498-T1502 HydrophobicContact CD2-CG2 4.06Å; D1499-T1502 PolarHBondContact O-N 2.91Å; D1499-T1502 VanDerWaalsContact O-N 3.11Å; D1499-T1502 WeakPolarHBondContact OD1-CB 3.41Å; D1499-T1502 PolarHBondContact OD1-OG1 2.89Å; D1499-T1502 PolarHBondContact OD2-N 2.83Å; D1499-T1502 PolarHBondContact OD2-OG1 3.37Å; T1502-A1505 PolarHBondContact O-N 3.09Å; T1502-N1506 WeakPolarHBondContact O-CB 3.38Å; T1502-N1506 PolarHBondContact O-N 2.7Å; T1502-N1506 VanDerWaalsContact O-N 3.16Å; T1502-N1506 PolarHBondContact O-ND2 2.95Å; T1502-A1665 HydrophobicContact CG2-CB 3.97Å; T1502-G1671 PolarHBondContact OG1-N 3.28Å; T1502-L1674 HydrophobicContact CG2-CD1 3.88Å |
| 1503 | L | 93.3 | Very high | 91.3 | Very high | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.5 | -47.5 | 174.7 | -72.1 | 170.5 | 0 | 0 | 0 | 112.1 | V1429 L1498 D1499 D1500 A1505 N1506 L1509 | V1429-L1503 HydrophobicContact CG2-CB 4.4Å; L1498-L1503 HydrophobicContact CB-CD1 4.31Å; L1498-L1503 HydrophobicContact CB-CD2 4.09Å; L1498-L1503 HydrophobicContact CB-CG 3.93Å; L1498-L1503 HydrophobicContact CD1-CD2 3.67Å; L1498-L1503 HydrophobicContact CD1-CG 4.4Å; D1499-L1503 PolarHBondContact O-N 2.85Å; D1500-L1503 PolarHBondContact O-N 3.36Å; L1503-A1505 VanDerWaalsContact C-N 3.26Å; L1503-A1505 PolarHBondContact O-N 2.6Å; L1503-N1506 CarbonylContact O-C 3.52Å; L1503-N1506 PolarHBondContact O-N 3.28Å; L1503-N1506 VanDerWaalsContact O-N 3.15Å; L1503-L1509 HydrophobicContact CD2-CB 4.39Å |
| 1504 | L | 93.2 | Very high | 91.2 | Very high | 41 Ų | 41 | 24.7 Ų | 24.7 | 22% | 0.215 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.8 | -29.9 | 176.8 | -75 | 168.9 | 0 | 0 | 0 | 113.8 | K1424 R1425 V1429 D1500 K1501 | K1424-L1504 HydrophobicContact CG-CD2 4.18Å; R1425-L1504 HydrophobicContact CB-CD2 4.25Å; V1429-L1504 HydrophobicContact CG2-CD1 4.04Å; V1429-L1504 HydrophobicContact CG2-CD2 4Å; V1429-L1504 HydrophobicContact CG2-CG 3.61Å; D1500-L1504 WeakPolarHBondContact O-CG 3.48Å; D1500-L1504 PolarHBondContact O-N 3.27Å; K1501-L1504 PolarHBondContact O-N 3.03Å |
| 1505 | A | 91.8 | Very high | 90.9 | Very high | 26 Ų | 26 | 25.5 Ų | 25.5 | 22% | 0.215 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -1.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | K1501 T1502 L1503 | K1501-A1505 VanDerWaalsContact O-CB 3.27Å; K1501-A1505 WeakPolarHBondContact O-CB 3.47Å; K1501-A1505 PolarHBondContact O-N 2.7Å; T1502-A1505 PolarHBondContact O-N 3.09Å; L1503-A1505 VanDerWaalsContact C-N 3.26Å; L1503-A1505 PolarHBondContact O-N 2.6Å |
| 1506 | N | 93.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | trans | -144.7 | 65.3 | -179.8 | -61 | -92.3 | 0 | 0 | 0 | 111.8 | T1502 L1503 I1508 L1509 K1672 L1674 L1676 | T1502-N1506 WeakPolarHBondContact O-CB 3.38Å; T1502-N1506 PolarHBondContact O-N 2.7Å; T1502-N1506 VanDerWaalsContact O-N 3.16Å; T1502-N1506 PolarHBondContact O-ND2 2.95Å; L1503-N1506 CarbonylContact O-C 3.52Å; L1503-N1506 PolarHBondContact O-N 3.28Å; L1503-N1506 VanDerWaalsContact O-N 3.15Å; N1506-I1508 PolarHBondContact O-N 2.97Å; N1506-L1509 HydrophobicContact CB-CD1 3.72Å; N1506-L1509 HydrophobicContact CB-CG 4.07Å; N1506-L1509 PolarHBondContact O-N 2.93Å; N1506-K1672 PolarHBondContact ND2-O 3.47Å; N1506-L1674 WeakPolarHBondContact OD1-CA 3.44Å; N1506-L1674 VanDerWaalsContact OD1-CB 3.26Å; N1506-L1674 WeakPolarHBondContact OD1-CB 3.44Å; N1506-L1674 WeakPolarHBondContact OD1-CG 3.47Å; N1506-L1674 PolarHBondContact OD1-N 2.89Å; N1506-L1676 HydrophobicContact CB-CD1 4.03Å | ||
| 1507 | P | 93.5 | Very high | 90.6 | Very high | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.032 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -51.9 | -31 | -176.4 | -26.1 | 32.6 | 0 | 0 | 0 | 114.8 | A1121 E1124 A1125 L1428 L1509 Y1510 | A1121-P1507 HydrophobicContact CB-CB 4.4Å; A1121-P1507 HydrophobicContact CB-CG 3.82Å; A1121-P1507 WeakPolarHBondContact O-CB 3.39Å; E1124-P1507 HydrophobicContact CB-CB 4.07Å; E1124-P1507 HydrophobicContact CB-CG 4.45Å; E1124-P1507 HydrophobicContact CG-CB 4.2Å; E1124-P1507 WeakPolarHBondContact OE1-CD 3.43Å; E1124-P1507 WeakPolarHBondContact OE2-CD 3.39Å; E1124-P1507 WeakPolarHBondContact OE2-CG 3.27Å; A1125-P1507 WeakPolarHBondContact CA-O 3.29Å; A1125-P1507 HydrophobicContact CB-CB 3.99Å; A1125-P1507 WeakPolarHBondContact CB-O 3.37Å; L1428-P1507 HydrophobicContact CD1-CB 3.9Å; L1428-P1507 HydrophobicContact CD1-CG 3.98Å; L1428-P1507 HydrophobicContact CD2-CB 4.31Å; P1507-L1509 PolarHBondContact O-N 3.2Å; P1507-Y1510 VanDerWaalsContact O-CB 3.3Å; P1507-Y1510 WeakPolarHBondContact O-CB 3.29Å; P1507-Y1510 PolarHBondContact O-N 2.7Å |
| 1508 | I | 91 | Very high | 90.8 | Very high | 11 Ų | 11 | 25.3 Ų | 25.3 | 6% | 0.056 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -42.6 | -36.8 | 172.9 | -63.4 | 176.6 | 0 | 0 | 0 | 113.2 | E1124 N1506 Y1510 R1511 L1680 | E1124-I1508 HydrophobicContact CG-CD1 4.39Å; E1124-I1508 HydrophobicContact CG-CG1 3.68Å; E1124-I1508 WeakPolarHBondContact OE1-CG1 3.32Å; N1506-I1508 PolarHBondContact O-N 2.97Å; I1508-Y1510 PolarHBondContact O-N 2.55Å; I1508-R1511 WeakPolarHBondContact O-CB 3.33Å; I1508-R1511 VanDerWaalsContact O-CG 3.28Å; I1508-R1511 WeakPolarHBondContact O-CG 3.44Å; I1508-R1511 PolarHBondContact O-N 3.25Å; I1508-R1511 VanDerWaalsContact O-N 3.17Å; I1508-L1680 HydrophobicContact CD1-CD1 4.41Å; I1508-L1680 HydrophobicContact CG2-CD1 3.93Å; I1508-L1680 HydrophobicContact CG2-CD2 4.45Å |
| 1509 | L | 91.7 | Very high | 90.9 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -63.8 | -25.9 | -176.3 | -63.1 | 173.8 | 0 | 0 | 0 | 112.7 | L1498 L1503 N1506 P1507 R1511 S1512 M1657 L1676 | L1498-L1509 HydrophobicContact CD1-CD1 3.73Å; L1503-L1509 HydrophobicContact CD2-CB 4.39Å; N1506-L1509 HydrophobicContact CB-CD1 3.72Å; N1506-L1509 HydrophobicContact CB-CG 4.07Å; N1506-L1509 PolarHBondContact O-N 2.93Å; P1507-L1509 PolarHBondContact O-N 3.2Å; L1509-R1511 PolarHBondContact O-N 2.8Å; L1509-S1512 PolarHBondContact O-N 2.86Å; L1509-S1512 PolarHBondContact O-OG 3.17Å; L1509-M1657 HydrophobicContact CD2-CB 4.41Å; L1509-L1676 HydrophobicContact CD1-CD1 4.42Å; L1509-L1676 HydrophobicContact CD2-CD1 3.81Å; L1509-L1676 HydrophobicContact CD2-CD2 4.22Å; L1509-L1676 HydrophobicContact CG-CD1 3.97Å |
| 1510 | Y | 94.5 | Very high | 90.9 | Very high | 4 Ų | 4 | 25.8 Ų | 25.8 | 2% | 0.016 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -59.5 | -26.9 | 175.7 | -175.1 | -85.9 | 0 | 0 | 0 | 113.2 | L391 Q393 I394 A1125 M1127 L1427 L1428 H1432 P1507 I1508 S1512 G1513 I1514 | L391-Y1510 WeakPolarHBondContact O-CE2 3.46Å; L391-Y1510 PolarHBondContact O-OH 3.39Å; Q393-Y1510 PolarHBondContact N-OH 3.49Å; I394-Y1510 PolarHBondContact N-OH 3.35Å; A1125-Y1510 HydrophobicContact CB-CD1 4.3Å; A1125-Y1510 HydrophobicContact CB-CG 4.32Å; M1127-Y1510 HydrophobicContact CE-CD1 3.64Å; M1127-Y1510 HydrophobicContact CE-CD2 4.38Å; M1127-Y1510 HydrophobicContact CE-CE1 3.19Å; M1127-Y1510 HydrophobicContact CE-CE2 3.99Å; M1127-Y1510 HydrophobicContact CE-CG 4.23Å; L1427-Y1510 HydrophobicContact CB-CE2 4.31Å; L1427-Y1510 WeakPolarHBondContact O-CE2 3.31Å; L1428-Y1510 HydrophobicContact CD2-CD2 4.03Å; L1428-Y1510 HydrophobicContact CD2-CG 4.03Å; H1432-Y1510 HydrophobicContact CB-CD2 4.04Å; H1432-Y1510 HydrophobicContact CB-CE2 4.5Å; P1507-Y1510 VanDerWaalsContact O-CB 3.3Å; P1507-Y1510 WeakPolarHBondContact O-CB 3.29Å; P1507-Y1510 PolarHBondContact O-N 2.7Å; I1508-Y1510 PolarHBondContact O-N 2.55Å; Y1510-S1512 PolarHBondContact O-N 3.16Å; Y1510-G1513 PolarHBondContact O-N 2.88Å; Y1510-I1514 HydrophobicContact CD1-CD1 3.86Å; Y1510-I1514 HydrophobicContact CD1-CG1 3.79Å; Y1510-I1514 HydrophobicContact CE1-CD1 3.89Å; Y1510-I1514 HydrophobicContact CE1-CG1 3.57Å |
| 1511 | R | 91.1 | Very high | 90.8 | Very high | 47 Ų | 47 | 26.1 Ų | 26.1 | 18% | 0.177 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -55.7 | -24 | 179.2 | -64 | 178.1 | -170.2 | -176.4 | 6.1 | 113.5 | E1124 A1125 I1508 L1509 G1513 I1514 Y1515 | E1124-R1511 PolarHBondContact O-NE 2.79Å; E1124-R1511 VanDerWaalsContact O-NE 3.12Å; E1124-R1511 PolarHBondContact O-NH2 2.92Å; A1125-R1511 WeakPolarHBondContact O-CG 3.4Å; I1508-R1511 WeakPolarHBondContact O-CB 3.33Å; I1508-R1511 VanDerWaalsContact O-CG 3.28Å; I1508-R1511 WeakPolarHBondContact O-CG 3.44Å; I1508-R1511 PolarHBondContact O-N 3.25Å; I1508-R1511 VanDerWaalsContact O-N 3.17Å; L1509-R1511 PolarHBondContact O-N 2.8Å; R1511-G1513 PolarHBondContact O-N 3.36Å; R1511-I1514 PolarHBondContact O-N 2.97Å; R1511-Y1515 HydrophobicContact CB-CD2 4.39Å; R1511-Y1515 HydrophobicContact CB-CE2 3.99Å; R1511-Y1515 WeakPolarHBondContact O-CD2 3.14Å; R1511-Y1515 PolarHBondContact O-N 2.96Å; R1511-Y1515 VanDerWaalsContact O-N 3.17Å |
| 1512 | S | 88.6 | Confident | 90.7 | Very high | 12 Ų | 12 | 26.1 Ų | 26.1 | 8% | 0.084 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.7 | -30.1 | 174.7 | 64.9 | 0 | 0 | 0 | 0 | 112.7 | L1509 Y1510 G1516 N1517 D1658 | L1509-S1512 PolarHBondContact O-N 2.86Å; L1509-S1512 PolarHBondContact O-OG 3.17Å; Y1510-S1512 PolarHBondContact O-N 3.16Å; S1512-G1516 PolarHBondContact O-N 3.5Å; S1512-N1517 WeakPolarHBondContact O-CB 3.46Å; S1512-N1517 PolarHBondContact O-N 3.45Å; S1512-D1658 PolarHBondContact OG-OD1 2.84Å |
| 1513 | G | 90.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -76.9 | -44.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | G392 Q393 Y1510 R1511 Y1515 G1516 | G392-G1513 CarbonylContact O-C 3.56Å; G392-G1513 VanDerWaalsContact O-CA 3.23Å; G392-G1513 WeakPolarHBondContact O-CA 3.48Å; Q393-G1513 PolarHBondContact NE2-O 3.08Å; Y1510-G1513 PolarHBondContact O-N 2.88Å; R1511-G1513 PolarHBondContact O-N 3.36Å; G1513-Y1515 PolarHBondContact O-N 3.27Å; G1513-G1516 PolarHBondContact O-N 3.29Å |
| 1514 | I | 91 | Very high | 90.7 | Very high | 18 Ų | 18 | 27.3 Ų | 27.3 | 9% | 0.092 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -55.8 | -50.4 | 175.5 | -55.9 | -178.2 | 0 | 0 | 0 | 110.7 | I394 E395 Y1510 R1511 G1516 | I394-I1514 WeakPolarHBondContact O-CD1 3.13Å; I394-I1514 WeakPolarHBondContact O-CG1 3.48Å; E395-I1514 HydrophobicContact CB-CG2 4.13Å; E395-I1514 HydrophobicContact CG-CG2 4Å; Y1510-I1514 HydrophobicContact CD1-CD1 3.86Å; Y1510-I1514 HydrophobicContact CD1-CG1 3.79Å; Y1510-I1514 HydrophobicContact CE1-CD1 3.89Å; Y1510-I1514 HydrophobicContact CE1-CG1 3.57Å; R1511-I1514 PolarHBondContact O-N 2.97Å; I1514-G1516 PolarHBondContact O-N 2.85Å |
| 1515 | Y | 88.1 | Confident | 90.8 | Very high | 70 Ų | 70 | 29.2 Ų | 29.2 | 28% | 0.275 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -1.1 | 178.4 | -57.4 | -40.1 | 0 | 0 | 0 | 114.3 | H1302 R1511 G1513 | H1302-Y1515 PolarHBondContact CD2-OH 3.22Å; R1511-Y1515 HydrophobicContact CB-CD2 4.39Å; R1511-Y1515 HydrophobicContact CB-CE2 3.99Å; R1511-Y1515 WeakPolarHBondContact O-CD2 3.14Å; R1511-Y1515 PolarHBondContact O-N 2.96Å; R1511-Y1515 VanDerWaalsContact O-N 3.17Å; G1513-Y1515 PolarHBondContact O-N 3.27Å |
| 1516 | G | 87.8 | Confident | 90.8 | Very high | 8 Ų | 8 | 30.5 Ų | 30.5 | 8% | 0.082 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 47.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y1435 S1512 G1513 I1514 Y1519 R1520 | Y1435-G1516 WeakPolarHBondContact OH-CA 2.96Å; S1512-G1516 PolarHBondContact O-N 3.5Å; G1513-G1516 PolarHBondContact O-N 3.29Å; I1514-G1516 PolarHBondContact O-N 2.85Å; G1516-Y1519 VanDerWaalsContact O-O 3.1Å; G1516-R1520 WeakPolarHBondContact O-CG 3.05Å |
| 1517 | N | 86.1 | Confident | 90.8 | Very high | 42 Ų | 42 | 31 Ų | 31 | 23% | 0.225 | 14% | 0.143 | C | C | . | . | trans | -75.6 | -30.1 | -175.2 | -72.2 | -12.2 | 0 | 0 | 0 | 113.4 | S1512 R1520 | S1512-N1517 WeakPolarHBondContact O-CB 3.46Å; S1512-N1517 PolarHBondContact O-N 3.45Å; N1517-R1520 PolarHBondContact OD1-NE 3.31Å; N1517-R1520 PolarHBondContact OD1-NH2 2.93Å | ||
| 1518 | A | 88 | Confident | 90.9 | Very high | 11 Ų | 11 | 31.1 Ų | 31.1 | 9% | 0.091 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -73.5 | -40.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y1435 A1439 L1523 | Y1435-A1518 HydrophobicContact CD1-CB 4.41Å; Y1435-A1518 HydrophobicContact CE1-CB 3.73Å; A1439-A1518 HydrophobicContact CB-CB 3.75Å; A1518-L1523 WeakPolarHBondContact O-CD1 3.37Å |
| 1519 | Y | 91.1 | Very high | 91.1 | Very high | 3 Ų | 3 | 36.9 Ų | 36.9 | 1% | 0.012 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -115.6 | 104.8 | 176 | -151.4 | -89 | 0 | 0 | 0 | 111.4 | L275 Q278 I279 D282 Y1435 A1439 L1443 G1516 | L275-Y1519 HydrophobicContact CD1-CD1 3.84Å; L275-Y1519 HydrophobicContact CD1-CD2 3.68Å; L275-Y1519 HydrophobicContact CD1-CE1 4.34Å; L275-Y1519 HydrophobicContact CD1-CE2 4.19Å; L275-Y1519 HydrophobicContact CD1-CG 3.46Å; L275-Y1519 VanDerWaalsContact CD1-CG 3.46Å; Q278-Y1519 HydrophobicContact CB-CD1 4.07Å; Q278-Y1519 HydrophobicContact CB-CE1 3.91Å; I279-Y1519 HydrophobicContact CG1-CE2 4.26Å; I279-Y1519 WeakPolarHBondContact CG1-OH 3.4Å; D282-Y1519 PolarHBondContact OD2-OH 3.43Å; Y1435-Y1519 PolarHBondContact OH-N 2.99Å; Y1435-Y1519 VanDerWaalsContact OH-N 3.1Å; A1439-Y1519 HydrophobicContact CB-CD2 3.99Å; A1439-Y1519 HydrophobicContact CB-CG 4.42Å; L1443-Y1519 HydrophobicContact CD1-CD2 4.09Å; L1443-Y1519 HydrophobicContact CD1-CE2 4.44Å; L1443-Y1519 HydrophobicContact CD2-CD2 4.16Å; L1443-Y1519 HydrophobicContact CD2-CE2 3.75Å; L1443-Y1519 HydrophobicContact CG-CD2 3.75Å; L1443-Y1519 HydrophobicContact CG-CE2 3.62Å; G1516-Y1519 VanDerWaalsContact O-O 3.1Å |
| 1520 | R | 90 | Very high | 91.3 | Very high | 56 Ų | 56 | 37.4 Ų | 37.4 | 21% | 0.211 | 17% | 0.171 | C | C | . | . | trans | -125.9 | 138.3 | 173.3 | -65.9 | -173.3 | 166.4 | -145.1 | 0.5 | 109 | G1516 N1517 W1522 L1523 M1688 | G1516-R1520 WeakPolarHBondContact O-CG 3.05Å; N1517-R1520 PolarHBondContact OD1-NE 3.31Å; N1517-R1520 PolarHBondContact OD1-NH2 2.93Å; R1520-W1522 PolarHBondContact O-N 3.46Å; R1520-L1523 HydrophobicContact CB-CD1 4.22Å; R1520-L1523 HydrophobicContact CB-CG 4.27Å; R1520-L1523 WeakPolarHBondContact O-CB 3.4Å; R1520-L1523 PolarHBondContact O-N 3.02Å; R1520-M1688 VanDerWaalsContact NH1-CE 3.3Å | ||
| 1521 | P | 87.8 | Confident | 91.4 | Very high | 55 Ų | 55 | 37.2 Ų | 37.2 | 36% | 0.357 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -59.5 | -13.5 | -177.6 | -27.4 | 34.8 | 0 | 0 | 0 | 115.8 | W1525 | P1521-W1525 VanDerWaalsContact O-CD1 3.23Å |
| 1522 | W | 90.2 | Very high | 91.6 | Very high | 132 Ų | 132 | 37.4 Ų | 37.4 | 50% | 0.5 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -79.3 | -27.8 | 171.8 | 163.4 | 73.6 | 0 | 0 | 0 | 113.2 | R1520 F1524 W1525 M1526 | R1520-W1522 PolarHBondContact O-N 3.46Å; W1522-F1524 VanDerWaalsContact C-N 3.32Å; W1522-W1525 PolarHBondContact O-N 2.96Å; W1522-M1526 HydrophobicContact CD2-CG 4.18Å; W1522-M1526 HydrophobicContact CD2-SD 4.25Å; W1522-M1526 HydrophobicContact CE3-SD 4.3Å; W1522-M1526 HydrophobicContact CH2-CG 4.47Å; W1522-M1526 HydrophobicContact CH2-SD 3.4Å; W1522-M1526 WeakPolarHBondContact CH2-SD 3.14Å; W1522-M1526 HydrophobicContact CZ2-CE 4.3Å; W1522-M1526 HydrophobicContact CZ2-CG 3.9Å; W1522-M1526 HydrophobicContact CZ2-SD 3.29Å; W1522-M1526 WeakPolarHBondContact CZ2-SD 3.37Å; W1522-M1526 HydrophobicContact CZ3-SD 3.91Å; W1522-M1526 PolarHBondContact O-N 2.7Å |
| 1523 | L | 91.7 | Very high | 92 | Very high | 27 Ų | 27 | 41.8 Ų | 41.8 | 14% | 0.141 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.8 | -32.5 | 176.7 | -63.5 | 173.6 | 0 | 0 | 0 | 111.7 | L1443 A1518 R1520 M1526 N1527 | L1443-L1523 HydrophobicContact CD1-CB 4Å; L1443-L1523 HydrophobicContact CD1-CD1 4.25Å; L1443-L1523 HydrophobicContact CD2-CB 4.34Å; A1518-L1523 WeakPolarHBondContact O-CD1 3.37Å; R1520-L1523 HydrophobicContact CB-CD1 4.22Å; R1520-L1523 HydrophobicContact CB-CG 4.27Å; R1520-L1523 WeakPolarHBondContact O-CB 3.4Å; R1520-L1523 PolarHBondContact O-N 3.02Å; L1523-M1526 HydrophobicContact CD2-SD 4.18Å; L1523-M1526 PolarHBondContact O-N 3.4Å; L1523-N1527 WeakPolarHBondContact O-CB 3.41Å; L1523-N1527 PolarHBondContact O-N 3Å |
| 1524 | F | 93.3 | Very high | 92.3 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.009 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -55 | -56.7 | 167 | 173.3 | -96.5 | 0 | 0 | 0 | 110.6 | D282 W285 I289 L1443 F1446 W1522 M1526 N1527 I1528 | D282-F1524 HydrophobicContact CB-CD2 3.82Å; D282-F1524 HydrophobicContact CB-CE2 3.96Å; D282-F1524 HydrophobicContact CB-CG 4.2Å; D282-F1524 HydrophobicContact CB-CZ 4.45Å; D282-F1524 WeakPolarHBondContact OD2-CB 3.22Å; W285-F1524 HydrophobicContact CB-CE1 3.9Å; W285-F1524 HydrophobicContact CB-CZ 4.21Å; I289-F1524 HydrophobicContact CD1-CE1 4.49Å; L1443-F1524 HydrophobicContact CD2-CB 4.41Å; F1446-F1524 HydrophobicContact CB-CD2 4.43Å; F1446-F1524 HydrophobicContact CB-CE2 4.18Å; F1446-F1524 HydrophobicContact CD1-CE2 4.2Å; F1446-F1524 HydrophobicContact CD2-CD2 4.34Å; F1446-F1524 HydrophobicContact CD2-CE2 4.37Å; F1446-F1524 HydrophobicContact CG-CD2 4.35Å; F1446-F1524 HydrophobicContact CG-CE2 4.02Å; W1522-F1524 VanDerWaalsContact C-N 3.32Å; F1524-M1526 PolarHBondContact O-N 3.19Å; F1524-N1527 WeakPolarHBondContact O-CB 3.4Å; F1524-N1527 PolarHBondContact O-N 3.43Å; F1524-I1528 HydrophobicContact CD1-CG1 4.23Å; F1524-I1528 HydrophobicContact CE1-CG1 3.85Å; F1524-I1528 HydrophobicContact CE2-CD1 4.21Å; F1524-I1528 HydrophobicContact CE2-CG1 4.23Å; F1524-I1528 HydrophobicContact CZ-CD1 4.01Å; F1524-I1528 HydrophobicContact CZ-CG1 3.86Å; F1524-I1528 WeakPolarHBondContact O-CG1 3.39Å; F1524-I1528 PolarHBondContact O-N 3.42Å |
| 1525 | W | 94.6 | Very high | 92.5 | Very high | 81 Ų | 81 | 41 Ų | 41 | 31% | 0.307 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.6 | -39 | 178.6 | -71.6 | 103.6 | 0 | 0 | 0 | 113.4 | W285 I289 P1521 W1522 N1527 I1528 F1529 | W285-W1525 HydrophobicContact CB-CZ2 4.37Å; W285-W1525 AromaticContact CD2-CZ2 3.9Å; W285-W1525 HydrophobicContact CD2-CZ2 3.9Å; W285-W1525 HydrophobicContact CE3-CH2 4.3Å; W285-W1525 AromaticContact CE3-CZ2 3.76Å; W285-W1525 HydrophobicContact CE3-CZ2 3.76Å; W285-W1525 HydrophobicContact CG-CZ2 4.17Å; W285-W1525 HydrophobicContact CZ3-CZ2 4.37Å; I289-W1525 HydrophobicContact CD1-CH2 3.98Å; I289-W1525 HydrophobicContact CD1-CZ3 4.01Å; I289-W1525 HydrophobicContact CG1-CH2 4.26Å; I289-W1525 HydrophobicContact CG1-CZ3 4.5Å; P1521-W1525 VanDerWaalsContact O-CD1 3.23Å; W1522-W1525 PolarHBondContact O-N 2.96Å; W1525-N1527 VanDerWaalsContact C-N 3.3Å; W1525-N1527 PolarHBondContact O-N 3.26Å; W1525-I1528 PolarHBondContact O-N 3.13Å; W1525-F1529 HydrophobicContact CB-CE2 4.3Å; W1525-F1529 WeakPolarHBondContact O-CD2 3.26Å; W1525-F1529 PolarHBondContact O-N 3.43Å |
| 1526 | M | 92.7 | Very high | 92.9 | Very high | 54 Ų | 54 | 40.6 Ų | 40.6 | 27% | 0.266 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -56.1 | -45.3 | 171.7 | -73.7 | -162.5 | 78.6 | 0 | 0 | 112.1 | W1522 L1523 F1524 F1529 D1530 I1646 | W1522-M1526 HydrophobicContact CD2-CG 4.18Å; W1522-M1526 HydrophobicContact CD2-SD 4.25Å; W1522-M1526 HydrophobicContact CE3-SD 4.3Å; W1522-M1526 HydrophobicContact CH2-CG 4.47Å; W1522-M1526 HydrophobicContact CH2-SD 3.4Å; W1522-M1526 WeakPolarHBondContact CH2-SD 3.14Å; W1522-M1526 HydrophobicContact CZ2-CE 4.3Å; W1522-M1526 HydrophobicContact CZ2-CG 3.9Å; W1522-M1526 HydrophobicContact CZ2-SD 3.29Å; W1522-M1526 WeakPolarHBondContact CZ2-SD 3.37Å; W1522-M1526 HydrophobicContact CZ3-SD 3.91Å; W1522-M1526 PolarHBondContact O-N 2.7Å; L1523-M1526 HydrophobicContact CD2-SD 4.18Å; L1523-M1526 PolarHBondContact O-N 3.4Å; F1524-M1526 PolarHBondContact O-N 3.19Å; M1526-F1529 PolarHBondContact O-N 3.34Å; M1526-D1530 WeakPolarHBondContact O-CB 3.38Å; M1526-D1530 PolarHBondContact O-N 3.33Å; M1526-I1646 HydrophobicContact CE-CG2 4.39Å |
| 1527 | N | 94.1 | Very high | 93.3 | Very high | 11 Ų | 11 | 41.4 Ų | 41.4 | 6% | 0.059 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.7 | -33.3 | 179.4 | -82.1 | 4.9 | 0 | 0 | 0 | 112.5 | L1443 L1523 F1524 W1525 D1530 A1531 R1643 | L1443-N1527 PolarHBondContact O-ND2 2.97Å; L1523-N1527 WeakPolarHBondContact O-CB 3.41Å; L1523-N1527 PolarHBondContact O-N 3Å; F1524-N1527 WeakPolarHBondContact O-CB 3.4Å; F1524-N1527 PolarHBondContact O-N 3.43Å; W1525-N1527 VanDerWaalsContact C-N 3.3Å; W1525-N1527 PolarHBondContact O-N 3.26Å; N1527-D1530 PolarHBondContact O-N 2.9Å; N1527-A1531 WeakPolarHBondContact O-CB 3.45Å; N1527-A1531 PolarHBondContact O-N 3.42Å; N1527-R1643 PolarHBondContact OD1-NH1 3.05Å; N1527-R1643 PolarHBondContact OD1-NH2 3.35Å |
| 1528 | I | 95.2 | Very high | 93.8 | Very high | 7 Ų | 7 | 39.5 Ų | 39.5 | 4% | 0.036 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.8 | -39.7 | 171.8 | -63.8 | -60.9 | 0 | 0 | 0 | 111.3 | I289 A1450 F1454 F1524 W1525 A1531 L1532 | I289-I1528 HydrophobicContact CD1-CG2 4.36Å; A1450-I1528 HydrophobicContact CB-CD1 3.86Å; F1454-I1528 HydrophobicContact CE2-CG2 4.15Å; F1454-I1528 HydrophobicContact CZ-CG2 4.19Å; F1524-I1528 HydrophobicContact CD1-CG1 4.23Å; F1524-I1528 HydrophobicContact CE1-CG1 3.85Å; F1524-I1528 HydrophobicContact CE2-CD1 4.21Å; F1524-I1528 HydrophobicContact CE2-CG1 4.23Å; F1524-I1528 HydrophobicContact CZ-CD1 4.01Å; F1524-I1528 HydrophobicContact CZ-CG1 3.86Å; F1524-I1528 WeakPolarHBondContact O-CG1 3.39Å; F1524-I1528 PolarHBondContact O-N 3.42Å; W1525-I1528 PolarHBondContact O-N 3.13Å; I1528-A1531 PolarHBondContact O-N 3.05Å; I1528-L1532 HydrophobicContact CG2-CD1 4.45Å; I1528-L1532 WeakPolarHBondContact O-CG 3.48Å; I1528-L1532 PolarHBondContact O-N 3.13Å |
| 1529 | F | 95.4 | Very high | 94.2 | Very high | 132 Ų | 132 | 39 Ų | 39 | 58% | 0.579 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -68.3 | -35.3 | 173.8 | -67.6 | -56.2 | 0 | 0 | 0 | 113.1 | W1525 M1526 A1531 L1532 W1533 | W1525-F1529 HydrophobicContact CB-CE2 4.3Å; W1525-F1529 WeakPolarHBondContact O-CD2 3.26Å; W1525-F1529 PolarHBondContact O-N 3.43Å; M1526-F1529 PolarHBondContact O-N 3.34Å; F1529-A1531 VanDerWaalsContact C-N 3.35Å; F1529-L1532 HydrophobicContact CD1-CD1 4.04Å; F1529-L1532 PolarHBondContact O-N 2.93Å; F1529-W1533 PolarHBondContact O-N 2.85Å |
| 1530 | D | 95.2 | Very high | 94.4 | Very high | 14 Ų | 14 | 41.2 Ų | 41.2 | 8% | 0.075 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64 | -40.8 | 172.4 | -154.8 | -24.4 | 0 | 0 | 0 | 111.3 | Y1447 M1526 N1527 W1533 Q1534 H1571 R1643 | Y1447-D1530 HydrophobicContact CE2-CB 4.35Å; M1526-D1530 WeakPolarHBondContact O-CB 3.38Å; M1526-D1530 PolarHBondContact O-N 3.33Å; N1527-D1530 PolarHBondContact O-N 2.9Å; D1530-W1533 PolarHBondContact O-N 3.41Å; D1530-Q1534 WeakPolarHBondContact O-CG 3.43Å; D1530-Q1534 PolarHBondContact O-N 3Å; D1530-Q1534 PolarHBondContact OD1-NE2 2.95Å; D1530-H1571 IonicContact OD2-CE1 2.6Å; D1530-R1643 WeakPolarHBondContact OD2-CD 3.31Å; D1530-R1643 WeakPolarHBondContact OD2-CG 3.49Å; D1530-R1643 IonicContact OD2-CZ 2.62Å; D1530-R1643 VanDerWaalsContact OD2-CZ 3.3Å; D1530-R1643 IonicContact OD2-NE 3.89Å; D1530-R1643 PolarHBondContact OD2-NE 3.45Å; D1530-R1643 IonicContact OD2-NH1 2.67Å; D1530-R1643 PolarHBondContact OD2-NH1 2.88Å |
| 1531 | A | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.6 | -40.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y1447 A1450 V1451 F1454 N1527 I1528 F1529 S1535 | Y1447-A1531 HydrophobicContact CD2-CB 4.16Å; Y1447-A1531 HydrophobicContact CE2-CB 4.34Å; A1450-A1531 HydrophobicContact CB-CB 3.72Å; V1451-A1531 HydrophobicContact CG2-CB 3.73Å; F1454-A1531 HydrophobicContact CD2-CB 4.25Å; F1454-A1531 HydrophobicContact CE2-CB 4.38Å; N1527-A1531 WeakPolarHBondContact O-CB 3.45Å; N1527-A1531 PolarHBondContact O-N 3.42Å; I1528-A1531 PolarHBondContact O-N 3.05Å; F1529-A1531 VanDerWaalsContact C-N 3.35Å; A1531-S1535 VanDerWaalsContact O-CB 3.29Å; A1531-S1535 WeakPolarHBondContact O-CB 3.43Å; A1531-S1535 PolarHBondContact O-N 3.47Å; A1531-S1535 PolarHBondContact O-OG 3.37Å |
| 1532 | L | 95.9 | Very high | 94.8 | Very high | 51 Ų | 51 | 38 Ų | 38 | 27% | 0.267 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61 | -41.7 | 172 | -80 | 164.5 | 0 | 0 | 0 | 112.1 | F1454 W1458 I1528 F1529 S1535 L1536 | F1454-L1532 HydrophobicContact CB-CD2 4.34Å; F1454-L1532 HydrophobicContact CD1-CD2 3.59Å; F1454-L1532 HydrophobicContact CD1-CG 4.46Å; F1454-L1532 HydrophobicContact CD2-CD2 3.71Å; F1454-L1532 HydrophobicContact CD2-CG 3.78Å; F1454-L1532 HydrophobicContact CE1-CD2 3.71Å; F1454-L1532 HydrophobicContact CE1-CG 4.33Å; F1454-L1532 HydrophobicContact CE2-CD1 4.46Å; F1454-L1532 HydrophobicContact CE2-CD2 3.83Å; F1454-L1532 HydrophobicContact CE2-CG 3.62Å; F1454-L1532 HydrophobicContact CG-CD2 3.61Å; F1454-L1532 HydrophobicContact CG-CG 4.22Å; F1454-L1532 HydrophobicContact CZ-CD1 4.43Å; F1454-L1532 HydrophobicContact CZ-CD2 3.82Å; F1454-L1532 HydrophobicContact CZ-CG 3.92Å; W1458-L1532 HydrophobicContact CZ2-CD2 4.07Å; I1528-L1532 HydrophobicContact CG2-CD1 4.45Å; I1528-L1532 WeakPolarHBondContact O-CG 3.48Å; I1528-L1532 PolarHBondContact O-N 3.13Å; F1529-L1532 HydrophobicContact CD1-CD1 4.04Å; F1529-L1532 PolarHBondContact O-N 2.93Å; L1532-S1535 PolarHBondContact O-OG 3.37Å; L1532-L1536 VanDerWaalsContact O-CB 3.25Å; L1532-L1536 WeakPolarHBondContact O-CB 3.28Å; L1532-L1536 PolarHBondContact O-N 3.43Å |
| 1533 | W | 96.6 | Very high | 95 | Very high | 103 Ų | 103 | 35.6 Ų | 35.6 | 39% | 0.39 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64.8 | -51.4 | 176.4 | 172.7 | -99.7 | 0 | 0 | 0 | 112.3 | F1529 D1530 S1535 L1536 I1537 A1639 P1642 | F1529-W1533 PolarHBondContact O-N 2.85Å; D1530-W1533 PolarHBondContact O-N 3.41Å; W1533-S1535 PolarHBondContact O-N 3.34Å; W1533-L1536 WeakPolarHBondContact O-CB 3.4Å; W1533-L1536 PolarHBondContact O-N 2.71Å; W1533-I1537 HydrophobicContact CD2-CG1 4.14Å; W1533-I1537 HydrophobicContact CH2-CD1 3.86Å; W1533-I1537 HydrophobicContact CH2-CG1 4.24Å; W1533-I1537 HydrophobicContact CZ2-CD1 3.62Å; W1533-I1537 HydrophobicContact CZ2-CG1 3.63Å; W1533-I1537 PolarHBondContact O-N 3.23Å; W1533-A1639 PolarHBondContact NE1-O 2.79Å; W1533-P1642 HydrophobicContact CD2-CG 4.4Å; W1533-P1642 HydrophobicContact CZ2-CG 4.07Å |
| 1534 | Q | 96.6 | Very high | 95 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69 | -38.3 | -173.2 | -68.7 | -175.1 | 52.9 | 0 | 0 | 112.3 | Y1447 D1530 L1536 I1537 V1538 C1567 H1571 A1639 | Y1447-Q1534 PolarHBondContact OH-NE2 2.94Å; Y1447-Q1534 PolarHBondContact OH-OE1 3.22Å; D1530-Q1534 WeakPolarHBondContact O-CG 3.43Å; D1530-Q1534 PolarHBondContact O-N 3Å; D1530-Q1534 PolarHBondContact OD1-NE2 2.95Å; Q1534-L1536 VanDerWaalsContact C-N 3.35Å; Q1534-L1536 PolarHBondContact O-N 3.4Å; Q1534-I1537 PolarHBondContact O-N 3.37Å; Q1534-V1538 VanDerWaalsContact O-CG2 3.29Å; Q1534-V1538 WeakPolarHBondContact O-CG2 3.37Å; Q1534-V1538 PolarHBondContact O-N 2.86Å; Q1534-C1567 PolarHBondContact OE1-SG 2.97Å; Q1534-H1571 PolarHBondContact NE2-CE1 2.98Å; Q1534-H1571 VanDerWaalsContact NE2-CE1 3.34Å; Q1534-H1571 PolarHBondContact NE2-ND1 3.33Å; Q1534-A1639 HydrophobicContact CB-CB 4.25Å; Q1534-A1639 HydrophobicContact CG-CB 4Å; Q1534-A1639 WeakPolarHBondContact CG-O 3.48Å |
| 1535 | S | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.8 | -40.4 | 172.7 | 57.8 | 0 | 0 | 0 | 0 | 112.8 | V1451 F1454 W1458 A1531 L1532 W1533 V1538 F1539 | V1451-S1535 VanDerWaalsContact O-CB 3.28Å; V1451-S1535 WeakPolarHBondContact O-CB 3.48Å; F1454-S1535 WeakPolarHBondContact CB-OG 3.45Å; W1458-S1535 PolarHBondContact NE1-OG 2.94Å; A1531-S1535 VanDerWaalsContact O-CB 3.29Å; A1531-S1535 WeakPolarHBondContact O-CB 3.43Å; A1531-S1535 PolarHBondContact O-N 3.47Å; A1531-S1535 PolarHBondContact O-OG 3.37Å; L1532-S1535 PolarHBondContact O-OG 3.37Å; W1533-S1535 PolarHBondContact O-N 3.34Å; S1535-V1538 PolarHBondContact O-N 3.25Å; S1535-F1539 WeakPolarHBondContact O-CB 3.29Å; S1535-F1539 PolarHBondContact O-N 2.74Å |
| 1536 | L | 96.1 | Very high | 94.7 | Very high | 62 Ų | 62 | 40.8 Ų | 40.8 | 33% | 0.325 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.8 | -47.3 | 176 | -172.8 | 164.3 | 0 | 0 | 0 | 110.6 | L1532 W1533 Q1534 F1539 F1540 | L1532-L1536 VanDerWaalsContact O-CB 3.25Å; L1532-L1536 WeakPolarHBondContact O-CB 3.28Å; L1532-L1536 PolarHBondContact O-N 3.43Å; W1533-L1536 WeakPolarHBondContact O-CB 3.4Å; W1533-L1536 PolarHBondContact O-N 2.71Å; Q1534-L1536 VanDerWaalsContact C-N 3.35Å; Q1534-L1536 PolarHBondContact O-N 3.4Å; L1536-F1539 PolarHBondContact O-N 2.98Å; L1536-F1540 HydrophobicContact CD2-CD2 3.9Å; L1536-F1540 HydrophobicContact CG-CD2 3.79Å; L1536-F1540 HydrophobicContact CG-CE2 4.1Å; L1536-F1540 WeakPolarHBondContact O-CB 3.27Å; L1536-F1540 WeakPolarHBondContact O-CD2 3.4Å; L1536-F1540 PolarHBondContact O-N 3.45Å |
| 1537 | I | 96.8 | Very high | 94.5 | Very high | 26 Ų | 26 | 41.6 Ų | 41.6 | 13% | 0.133 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.1 | -45.1 | 177 | -66.8 | -61.6 | 0 | 0 | 0 | 111.9 | W1533 Q1534 F1539 L1541 T1635 L1638 A1639 | W1533-I1537 HydrophobicContact CD2-CG1 4.14Å; W1533-I1537 HydrophobicContact CH2-CD1 3.86Å; W1533-I1537 HydrophobicContact CH2-CG1 4.24Å; W1533-I1537 HydrophobicContact CZ2-CD1 3.62Å; W1533-I1537 HydrophobicContact CZ2-CG1 3.63Å; W1533-I1537 PolarHBondContact O-N 3.23Å; Q1534-I1537 PolarHBondContact O-N 3.37Å; I1537-F1539 VanDerWaalsContact C-N 3.32Å; I1537-F1539 PolarHBondContact O-N 2.88Å; I1537-L1541 WeakPolarHBondContact O-CB 3.5Å; I1537-L1541 PolarHBondContact O-N 3.04Å; I1537-L1541 VanDerWaalsContact O-N 3.15Å; I1537-T1635 HydrophobicContact CG2-CG2 4.43Å; I1537-L1638 HydrophobicContact CG2-CB 4.01Å; I1537-A1639 HydrophobicContact CB-CB 4.31Å; I1537-A1639 HydrophobicContact CG2-CB 4.04Å |
| 1538 | V | 96 | Very high | 94 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.7 | -42.1 | 177.6 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | L1455 Q1534 S1535 S1542 Q1560 A1563 T1635 | L1455-V1538 HydrophobicContact CD1-CB 4.43Å; L1455-V1538 HydrophobicContact CD1-CG1 3.97Å; L1455-V1538 HydrophobicContact CD2-CG1 4.48Å; Q1534-V1538 VanDerWaalsContact O-CG2 3.29Å; Q1534-V1538 WeakPolarHBondContact O-CG2 3.37Å; Q1534-V1538 PolarHBondContact O-N 2.86Å; S1535-V1538 PolarHBondContact O-N 3.25Å; V1538-S1542 PolarHBondContact O-OG 2.91Å; V1538-Q1560 HydrophobicContact CG1-CB 4.45Å; V1538-A1563 HydrophobicContact CG1-CB 4.11Å; V1538-T1635 HydrophobicContact CB-CG2 4.17Å; V1538-T1635 HydrophobicContact CG2-CG2 3.63Å |
| 1539 | F | 95.7 | Very high | 93.5 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.009 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.4 | -60.3 | 179.9 | -173 | -89.3 | 0 | 0 | 0 | 112.6 | L1455 W1458 F1459 F1462 S1535 L1536 I1537 L1541 S1542 Y1543 F1556 Q1560 | L1455-F1539 HydrophobicContact CD1-CB 3.96Å; L1455-F1539 HydrophobicContact CD1-CD2 4.15Å; W1458-F1539 HydrophobicContact CB-CB 4.06Å; W1458-F1539 HydrophobicContact CB-CD1 3.91Å; W1458-F1539 HydrophobicContact CB-CD2 3.9Å; W1458-F1539 HydrophobicContact CB-CE1 4.43Å; W1458-F1539 HydrophobicContact CB-CE2 4.42Å; W1458-F1539 HydrophobicContact CB-CG 3.64Å; W1458-F1539 HydrophobicContact CG-CB 4.44Å; W1458-F1539 HydrophobicContact CG-CG 4.49Å; F1459-F1539 VanDerWaalsContact CA-CE2 3.49Å; F1459-F1539 HydrophobicContact CB-CE2 3.76Å; F1459-F1539 HydrophobicContact CD2-CE2 4.06Å; F1459-F1539 HydrophobicContact CD2-CZ 4.48Å; F1459-F1539 HydrophobicContact CG-CE2 4.43Å; F1462-F1539 AromaticContact CD2-CE1 3.68Å; F1462-F1539 HydrophobicContact CD2-CE1 3.68Å; F1462-F1539 AromaticContact CD2-CZ 3.61Å; F1462-F1539 HydrophobicContact CD2-CZ 3.61Å; F1462-F1539 HydrophobicContact CE2-CD1 4.4Å; F1462-F1539 AromaticContact CE2-CE1 3.39Å; F1462-F1539 HydrophobicContact CE2-CE1 3.39Å; F1462-F1539 AromaticContact CE2-CZ 3.86Å; F1462-F1539 HydrophobicContact CE2-CZ 3.86Å; F1462-F1539 HydrophobicContact CG-CZ 4.42Å; F1462-F1539 HydrophobicContact CZ-CE1 4.16Å; S1535-F1539 WeakPolarHBondContact O-CB 3.29Å; S1535-F1539 PolarHBondContact O-N 2.74Å; L1536-F1539 PolarHBondContact O-N 2.98Å; I1537-F1539 VanDerWaalsContact C-N 3.32Å; I1537-F1539 PolarHBondContact O-N 2.88Å; F1539-L1541 PolarHBondContact O-N 3.28Å; F1539-S1542 PolarHBondContact O-N 3.2Å; F1539-S1542 PolarHBondContact O-OG 3.22Å; F1539-Y1543 HydrophobicContact CE1-CG 4.48Å; F1539-Y1543 PolarHBondContact O-N 3.39Å; F1539-F1556 HydrophobicContact CE2-CE1 4.47Å; F1539-Q1560 VanDerWaalsContact CD2-NE2 3.26Å |
| 1540 | F | 95.4 | Very high | 92.9 | Very high | 48 Ų | 48 | 53.7 Ų | 53.7 | 21% | 0.211 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -70.9 | -32.6 | -168.7 | -80 | -83.6 | 0 | 0 | 0 | 112.7 | M1461 F1462 L1536 S1542 Y1543 F1544 | M1461-F1540 HydrophobicContact CE-CZ 4.1Å; F1462-F1540 HydrophobicContact CE2-CE1 4.34Å; F1462-F1540 HydrophobicContact CE2-CZ 4.32Å; F1462-F1540 AromaticContact CZ-CE1 3.93Å; F1462-F1540 HydrophobicContact CZ-CE1 3.93Å; F1462-F1540 HydrophobicContact CZ-CZ 4.29Å; L1536-F1540 HydrophobicContact CD2-CD2 3.9Å; L1536-F1540 HydrophobicContact CG-CD2 3.79Å; L1536-F1540 HydrophobicContact CG-CE2 4.1Å; L1536-F1540 WeakPolarHBondContact O-CB 3.27Å; L1536-F1540 WeakPolarHBondContact O-CD2 3.4Å; L1536-F1540 PolarHBondContact O-N 3.45Å; F1540-S1542 VanDerWaalsContact C-N 3.33Å; F1540-S1542 PolarHBondContact O-N 3.41Å; F1540-Y1543 PolarHBondContact O-N 2.95Å; F1540-F1544 HydrophobicContact CB-CD2 4.28Å; F1540-F1544 HydrophobicContact CB-CE2 3.95Å; F1540-F1544 AromaticContact CD1-CE2 3.92Å; F1540-F1544 HydrophobicContact CD1-CE2 3.92Å; F1540-F1544 AromaticContact CD1-CZ 3.91Å; F1540-F1544 HydrophobicContact CD1-CZ 3.91Å; F1540-F1544 HydrophobicContact CG-CE2 4.39Å; F1540-F1544 WeakPolarHBondContact O-CD2 3.49Å; F1540-F1544 WeakPolarHBondContact O-CG 3.29Å; F1540-F1544 PolarHBondContact O-N 3.42Å |
| 1541 | L | 94.7 | Very high | 92.5 | Very high | 43 Ų | 43 | 55.5 Ų | 55.5 | 23% | 0.225 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.6 | -33.7 | 176.9 | -170.7 | 59.4 | 0 | 0 | 0 | 111.8 | I1537 F1539 T1545 L1631 V1634 L1638 | I1537-L1541 WeakPolarHBondContact O-CB 3.5Å; I1537-L1541 PolarHBondContact O-N 3.04Å; I1537-L1541 VanDerWaalsContact O-N 3.15Å; F1539-L1541 PolarHBondContact O-N 3.28Å; L1541-T1545 WeakPolarHBondContact O-CB 3.4Å; L1541-T1545 PolarHBondContact O-N 3.26Å; L1541-T1545 PolarHBondContact O-OG1 3.4Å; L1541-L1631 HydrophobicContact CD2-CD1 4.5Å; L1541-L1631 HydrophobicContact CG-CD1 4.03Å; L1541-V1634 HydrophobicContact CD2-CG1 4.15Å; L1541-L1638 HydrophobicContact CD2-CD1 3.95Å |
| 1542 | S | 92.7 | Very high | 92 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -71.3 | -44.2 | 172.6 | 79.6 | 0 | 0 | 0 | 0 | 111.4 | V1538 F1539 F1540 T1545 Y1546 F1556 Q1560 | V1538-S1542 PolarHBondContact O-OG 2.91Å; F1539-S1542 PolarHBondContact O-N 3.2Å; F1539-S1542 PolarHBondContact O-OG 3.22Å; F1540-S1542 VanDerWaalsContact C-N 3.33Å; F1540-S1542 PolarHBondContact O-N 3.41Å; S1542-T1545 PolarHBondContact O-N 3.18Å; S1542-Y1546 WeakPolarHBondContact O-CD2 3.49Å; S1542-Y1546 PolarHBondContact O-N 3.07Å; S1542-Y1546 VanDerWaalsContact O-N 3.1Å; S1542-F1556 VanDerWaalsContact OG-CE2 3.23Å; S1542-F1556 WeakPolarHBondContact OG-CE2 3.17Å; S1542-F1556 WeakPolarHBondContact OG-CZ 3.42Å; S1542-Q1560 PolarHBondContact OG-NE2 2.98Å |
| 1543 | Y | 92.7 | Very high | 91.6 | Very high | 83 Ų | 83 | 58.4 Ų | 58.4 | 33% | 0.325 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -57.8 | -51.6 | 178.3 | 178.3 | -104.7 | 0 | 0 | 0 | 112.3 | F1462 F1539 F1540 T1545 Y1546 S1547 | F1462-Y1543 AromaticContact CD1-CE2 4Å; F1462-Y1543 HydrophobicContact CD1-CE2 4Å; F1462-Y1543 AromaticContact CD1-CZ 3.97Å; F1462-Y1543 AromaticContact CE1-CE1 3.99Å; F1462-Y1543 HydrophobicContact CE1-CE1 3.99Å; F1462-Y1543 HydrophobicContact CE1-CE2 4.12Å; F1462-Y1543 AromaticContact CE1-CZ 3.72Å; F1539-Y1543 HydrophobicContact CE1-CG 4.48Å; F1539-Y1543 PolarHBondContact O-N 3.39Å; F1540-Y1543 PolarHBondContact O-N 2.95Å; Y1543-T1545 VanDerWaalsContact C-N 3.33Å; Y1543-T1545 PolarHBondContact O-N 2.97Å; Y1543-Y1546 PolarHBondContact O-N 3.48Å; Y1543-S1547 PolarHBondContact O-N 3.26Å; Y1543-S1547 VanDerWaalsContact O-N 3.07Å |
| 1544 | F | 93 | Very high | 91.1 | Very high | 139 Ų | 139 | 57 Ų | 57 | 61% | 0.61 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -68.2 | -29.2 | 179.7 | -64.2 | -48.8 | 0 | 0 | 0 | 113.6 | F1540 | F1540-F1544 HydrophobicContact CB-CD2 4.28Å; F1540-F1544 HydrophobicContact CB-CE2 3.95Å; F1540-F1544 AromaticContact CD1-CE2 3.92Å; F1540-F1544 HydrophobicContact CD1-CE2 3.92Å; F1540-F1544 AromaticContact CD1-CZ 3.91Å; F1540-F1544 HydrophobicContact CD1-CZ 3.91Å; F1540-F1544 HydrophobicContact CG-CE2 4.39Å; F1540-F1544 WeakPolarHBondContact O-CD2 3.49Å; F1540-F1544 WeakPolarHBondContact O-CG 3.29Å; F1540-F1544 PolarHBondContact O-N 3.42Å |
| 1545 | T | 91.9 | Very high | 90.7 | Very high | 59 Ų | 59 | 58.2 Ų | 58.2 | 36% | 0.362 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -74.4 | -33.6 | 178.5 | -55.7 | 0 | 0 | 0 | 0 | 112.5 | L1541 S1542 Y1543 L1631 | L1541-T1545 WeakPolarHBondContact O-CB 3.4Å; L1541-T1545 PolarHBondContact O-N 3.26Å; L1541-T1545 PolarHBondContact O-OG1 3.4Å; S1542-T1545 PolarHBondContact O-N 3.18Å; Y1543-T1545 VanDerWaalsContact C-N 3.33Å; Y1543-T1545 PolarHBondContact O-N 2.97Å; T1545-L1631 HydrophobicContact CG2-CD1 4.01Å; T1545-L1631 HydrophobicContact CG2-CD2 3.93Å; T1545-L1631 VanDerWaalsContact OG1-CD1 3.29Å; T1545-L1631 WeakPolarHBondContact OG1-CD1 3.47Å |
| 1546 | Y | 90.1 | Very high | 90.5 | Very high | 20 Ų | 20 | 59.2 Ų | 59.2 | 8% | 0.078 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -100.9 | 8.6 | -178.9 | -69.8 | -65.9 | 0 | 0 | 0 | 114 | S1542 Y1543 D1548 D1549 I1551 F1556 K1627 L1631 | S1542-Y1546 WeakPolarHBondContact O-CD2 3.49Å; S1542-Y1546 PolarHBondContact O-N 3.07Å; S1542-Y1546 VanDerWaalsContact O-N 3.1Å; Y1543-Y1546 PolarHBondContact O-N 3.48Å; Y1546-D1548 PolarHBondContact O-N 3.23Å; Y1546-D1548 VanDerWaalsContact O-N 3.16Å; Y1546-D1549 HydrophobicContact CD1-CB 3.89Å; Y1546-D1549 WeakPolarHBondContact CD1-OD2 3.37Å; Y1546-D1549 PolarHBondContact O-N 3.35Å; Y1546-D1549 VanDerWaalsContact O-N 3.14Å; Y1546-I1551 HydrophobicContact CD1-CB 4.29Å; Y1546-I1551 HydrophobicContact CD1-CD1 3.81Å; Y1546-I1551 HydrophobicContact CD1-CG2 4.45Å; Y1546-I1551 HydrophobicContact CD2-CD1 3.95Å; Y1546-I1551 HydrophobicContact CE1-CD1 3.76Å; Y1546-I1551 HydrophobicContact CE2-CD1 3.88Å; Y1546-I1551 HydrophobicContact CG-CD1 3.91Å; Y1546-I1551 HydrophobicContact CG-CG2 4.23Å; Y1546-F1556 HydrophobicContact CD2-CD2 4.14Å; Y1546-F1556 HydrophobicContact CD2-CE2 4.42Å; Y1546-K1627 HydrophobicContact CE1-CD 4.47Å; Y1546-L1631 HydrophobicContact CD2-CD2 4.25Å; Y1546-L1631 HydrophobicContact CE2-CD2 3.62Å |
| 1547 | S | 86.7 | Confident | 90.2 | Very high | 72 Ų | 72 | 56.3 Ų | 56.3 | 50% | 0.503 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -26.6 | -177.3 | -171.1 | 0 | 0 | 0 | 0 | 114.3 | Y1543 | Y1543-S1547 PolarHBondContact O-N 3.26Å; Y1543-S1547 VanDerWaalsContact O-N 3.07Å |
| 1548 | D | 84.9 | Confident | 90 | Very high | 163 Ų | 163 | 55.3 Ų | 55.3 | 87% | 0.872 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | -0.5 | 180 | -57.6 | -36.6 | 0 | 0 | 0 | 112.8 | Y1546 | Y1546-D1548 PolarHBondContact O-N 3.23Å; Y1546-D1548 VanDerWaalsContact O-N 3.16Å |
| 1549 | D | 85 | Confident | 89.8 | Confident | 60 Ų | 60 | 55.3 Ų | 55.3 | 32% | 0.321 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -102.3 | 136 | -179.1 | -84.5 | -44.5 | 0 | 0 | 0 | 110.9 | Y1546 I1551 K1627 | Y1546-D1549 HydrophobicContact CD1-CB 3.89Å; Y1546-D1549 WeakPolarHBondContact CD1-OD2 3.37Å; Y1546-D1549 PolarHBondContact O-N 3.35Å; Y1546-D1549 VanDerWaalsContact O-N 3.14Å; D1549-I1551 PolarHBondContact O-N 2.9Å; D1549-K1627 IonicContact OD1-NZ 2.68Å; D1549-K1627 PolarHBondContact OD1-NZ 2.91Å; D1549-K1627 IonicContact OD2-NZ 3.18Å; D1549-K1627 PolarHBondContact OD2-NZ 3.08Å |
| 1550 | N | 83 | Confident | 89.7 | Confident | 181 Ų | 181 | 55.3 Ų | 55.3 | 97% | 0.968 | 29% | 0.287 | S | S | * | . | trans | -75.8 | 64.8 | 173.8 | -72.4 | -42 | 0 | 0 | 0 | 112.4 | ||||
| 1551 | I | 86.7 | Confident | 89.6 | Confident | 51 Ų | 51 | 53.2 Ų | 53.2 | 26% | 0.262 | 28% | 0.278 | S | S | . | . | trans | -81 | 140.8 | 178 | -169.6 | 163.6 | 0 | 0 | 0 | 112.4 | Y1546 D1549 E1555 F1556 | Y1546-I1551 HydrophobicContact CD1-CB 4.29Å; Y1546-I1551 HydrophobicContact CD1-CD1 3.81Å; Y1546-I1551 HydrophobicContact CD1-CG2 4.45Å; Y1546-I1551 HydrophobicContact CD2-CD1 3.95Å; Y1546-I1551 HydrophobicContact CE1-CD1 3.76Å; Y1546-I1551 HydrophobicContact CE2-CD1 3.88Å; Y1546-I1551 HydrophobicContact CG-CD1 3.91Å; Y1546-I1551 HydrophobicContact CG-CG2 4.23Å; D1549-I1551 PolarHBondContact O-N 2.9Å; I1551-E1555 HydrophobicContact CD1-CB 4.12Å; I1551-E1555 HydrophobicContact CG1-CB 3.71Å; I1551-F1556 HydrophobicContact CD1-CB 4.12Å; I1551-F1556 HydrophobicContact CG1-CB 4.32Å; I1551-F1556 HydrophobicContact CG2-CB 4.41Å; I1551-F1556 HydrophobicContact CG2-CD2 4.43Å | ||
| 1552 | G | 85.8 | Confident | 89.5 | Confident | 31 Ų | 31 | 51.2 Ų | 51.2 | 32% | 0.32 | 27% | 0.268 | S | S | . | . | trans | -74.2 | 146.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | W1554 E1555 F1556 | G1552-W1554 VanDerWaalsContact C-N 3.29Å; G1552-W1554 PolarHBondContact O-N 3.13Å; G1552-E1555 PolarHBondContact N-OE2 3.49Å; G1552-E1555 WeakPolarHBondContact O-CA 3.35Å; G1552-E1555 WeakPolarHBondContact O-CB 3.42Å; G1552-E1555 PolarHBondContact O-N 3.23Å; G1552-F1556 PolarHBondContact O-N 2.89Å | ||
| 1553 | L | 86.2 | Confident | 89.6 | Confident | 82 Ų | 82 | 51.2 Ų | 51.2 | 43% | 0.429 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -48.7 | -47.6 | 179.5 | 179.7 | 63.2 | 0 | 0 | 0 | 113.1 | F1459 A1470 F1556 G1557 | F1459-L1553 HydrophobicContact CE2-CD1 4.06Å; F1459-L1553 HydrophobicContact CZ-CD1 3.64Å; A1470-L1553 HydrophobicContact CB-CD1 3.58Å; A1470-L1553 HydrophobicContact CB-CG 4.32Å; L1553-F1556 PolarHBondContact O-N 3.32Å; L1553-G1557 PolarHBondContact O-N 2.94Å |
| 1554 | W | 85.8 | Confident | 89.7 | Confident | 73 Ų | 73 | 47.3 Ų | 47.3 | 28% | 0.277 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -72.1 | -25.8 | 178.6 | -52.8 | 120.2 | 0 | 0 | 0 | 113.9 | A1470 D1472 G1552 L1558 E1613 I1618 | A1470-W1554 VanDerWaalsContact O-CE3 3.3Å; D1472-W1554 HydrophobicContact CB-CZ3 4.49Å; G1552-W1554 VanDerWaalsContact C-N 3.29Å; G1552-W1554 PolarHBondContact O-N 3.13Å; W1554-L1558 VanDerWaalsContact O-CB 3.26Å; W1554-L1558 WeakPolarHBondContact O-CB 3.39Å; W1554-L1558 PolarHBondContact O-N 3.08Å; W1554-E1613 HydrophobicContact CH2-CB 4.34Å; W1554-E1613 VanDerWaalsContact CH2-CD 3.45Å; W1554-E1613 HydrophobicContact CH2-CG 3.69Å; W1554-E1613 WeakPolarHBondContact CH2-OE1 3.45Å; W1554-E1613 HydrophobicContact CZ2-CB 4.41Å; W1554-E1613 HydrophobicContact CZ2-CG 3.98Å; W1554-I1618 HydrophobicContact CB-CD1 3.58Å; W1554-I1618 HydrophobicContact CB-CG1 4.45Å; W1554-I1618 HydrophobicContact CG-CD1 4.15Å |
| 1555 | E | 89.7 | Confident | 89.8 | Confident | 26 Ų | 26 | 40.8 Ų | 40.8 | 12% | 0.121 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -72.3 | -41.1 | 175.2 | -62.1 | 172 | 158.4 | 0 | 0 | 109.6 | I1551 G1552 F1559 I1618 R1621 V1622 | I1551-E1555 HydrophobicContact CD1-CB 4.12Å; I1551-E1555 HydrophobicContact CG1-CB 3.71Å; G1552-E1555 PolarHBondContact N-OE2 3.49Å; G1552-E1555 WeakPolarHBondContact O-CA 3.35Å; G1552-E1555 WeakPolarHBondContact O-CB 3.42Å; G1552-E1555 PolarHBondContact O-N 3.23Å; E1555-F1559 PolarHBondContact O-N 3.41Å; E1555-F1559 VanDerWaalsContact O-N 3.11Å; E1555-I1618 HydrophobicContact CG-CG1 4.2Å; E1555-I1618 HydrophobicContact CG-CG2 3.94Å; E1555-R1621 WeakPolarHBondContact OE1-CD 3.2Å; E1555-R1621 IonicContact OE1-CZ 2.95Å; E1555-R1621 IonicContact OE1-NE 3.75Å; E1555-R1621 IonicContact OE1-NH1 2.75Å; E1555-R1621 PolarHBondContact OE1-NH1 2.65Å; E1555-V1622 HydrophobicContact CB-CG2 3.76Å; E1555-V1622 HydrophobicContact CG-CG2 3.82Å |
| 1556 | F | 91.1 | Very high | 90 | Very high | 21 Ų | 21 | 38.6 Ų | 38.6 | 9% | 0.092 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.2 | -46.7 | 172.8 | -174.9 | -102.2 | 0 | 0 | 0 | 112.3 | A1470 F1539 S1542 Y1546 I1551 G1552 L1553 L1558 F1559 Q1560 | A1470-F1556 HydrophobicContact CB-CD1 4.3Å; F1539-F1556 HydrophobicContact CE2-CE1 4.47Å; S1542-F1556 VanDerWaalsContact OG-CE2 3.23Å; S1542-F1556 WeakPolarHBondContact OG-CE2 3.17Å; S1542-F1556 WeakPolarHBondContact OG-CZ 3.42Å; Y1546-F1556 HydrophobicContact CD2-CD2 4.14Å; Y1546-F1556 HydrophobicContact CD2-CE2 4.42Å; I1551-F1556 HydrophobicContact CD1-CB 4.12Å; I1551-F1556 HydrophobicContact CG1-CB 4.32Å; I1551-F1556 HydrophobicContact CG2-CB 4.41Å; I1551-F1556 HydrophobicContact CG2-CD2 4.43Å; G1552-F1556 PolarHBondContact O-N 2.89Å; L1553-F1556 PolarHBondContact O-N 3.32Å; F1556-L1558 PolarHBondContact O-N 2.93Å; F1556-F1559 WeakPolarHBondContact O-CB 2.95Å; F1556-F1559 PolarHBondContact O-N 3.4Å; F1556-Q1560 HydrophobicContact CE1-CG 4.45Å; F1556-Q1560 VanDerWaalsContact CZ-NE2 3.34Å; F1556-Q1560 WeakPolarHBondContact O-CG 3.29Å; F1556-Q1560 PolarHBondContact O-N 3.07Å |
| 1557 | G | 91 | Very high | 90.3 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.8 | -36.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | A1470 L1553 Q1560 T1561 | A1470-G1557 WeakPolarHBondContact O-CA 3.46Å; L1553-G1557 PolarHBondContact O-N 2.94Å; G1557-Q1560 PolarHBondContact O-N 3.38Å; G1557-T1561 WeakPolarHBondContact O-CB 3.41Å; G1557-T1561 PolarHBondContact O-N 3.28Å; G1557-T1561 PolarHBondContact O-OG1 3.39Å |
| 1558 | L | 91.2 | Very high | 90.7 | Very high | 6 Ų | 6 | 34.3 Ų | 34.3 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66 | -38.4 | 173.5 | -177.1 | 67.2 | 0 | 0 | 0 | 111.8 | W1554 F1556 T1561 N1562 Y1595 T1599 I1618 I1619 V1622 | W1554-L1558 VanDerWaalsContact O-CB 3.26Å; W1554-L1558 WeakPolarHBondContact O-CB 3.39Å; W1554-L1558 PolarHBondContact O-N 3.08Å; F1556-L1558 PolarHBondContact O-N 2.93Å; L1558-T1561 PolarHBondContact O-N 3Å; L1558-N1562 WeakPolarHBondContact O-CB 3.38Å; L1558-N1562 PolarHBondContact O-N 3.13Å; L1558-Y1595 WeakPolarHBondContact CD1-OH 3.34Å; L1558-T1599 HydrophobicContact CD1-CG2 3.99Å; L1558-I1618 HydrophobicContact CB-CG2 4.42Å; L1558-I1618 HydrophobicContact CD2-CG2 3.92Å; L1558-I1619 VanDerWaalsContact CD2-CA 3.46Å; L1558-I1619 HydrophobicContact CD2-CB 3.69Å; L1558-I1619 HydrophobicContact CD2-CG1 4.03Å; L1558-V1622 HydrophobicContact CD2-CB 4.19Å; L1558-V1622 HydrophobicContact CD2-CG1 4.31Å; L1558-V1622 HydrophobicContact CD2-CG2 4.45Å |
| 1559 | F | 93 | Very high | 91.2 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 0% | 0.004 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.5 | -53 | 170.5 | 172.5 | -86.9 | 0 | 0 | 0 | 111.3 | E1555 F1556 T1561 N1562 A1563 F1628 L1631 T1632 | E1555-F1559 PolarHBondContact O-N 3.41Å; E1555-F1559 VanDerWaalsContact O-N 3.11Å; F1556-F1559 WeakPolarHBondContact O-CB 2.95Å; F1556-F1559 PolarHBondContact O-N 3.4Å; F1559-T1561 VanDerWaalsContact C-N 3.26Å; F1559-T1561 PolarHBondContact O-N 3.2Å; F1559-N1562 PolarHBondContact O-N 2.82Å; F1559-A1563 HydrophobicContact CE1-CB 4.05Å; F1559-A1563 HydrophobicContact CZ-CB 4.03Å; F1559-A1563 WeakPolarHBondContact O-CB 3.48Å; F1559-A1563 PolarHBondContact O-N 3.04Å; F1559-F1628 HydrophobicContact CB-CD2 4.23Å; F1559-F1628 HydrophobicContact CB-CE2 4.36Å; F1559-F1628 AromaticContact CD2-CD2 3.72Å; F1559-F1628 HydrophobicContact CD2-CD2 3.72Å; F1559-F1628 HydrophobicContact CD2-CE2 4.19Å; F1559-F1628 HydrophobicContact CG-CD2 4.49Å; F1559-L1631 HydrophobicContact CD2-CD2 4.22Å; F1559-L1631 HydrophobicContact CE1-CD2 4.08Å; F1559-L1631 HydrophobicContact CE1-CG 4.31Å; F1559-L1631 HydrophobicContact CE2-CB 3.8Å; F1559-L1631 HydrophobicContact CE2-CD2 3.7Å; F1559-L1631 HydrophobicContact CE2-CG 3.68Å; F1559-L1631 HydrophobicContact CZ-CB 4.11Å; F1559-L1631 HydrophobicContact CZ-CD2 3.66Å; F1559-L1631 HydrophobicContact CZ-CG 3.51Å; F1559-T1632 WeakPolarHBondContact CE2-OG1 3.43Å |
| 1560 | Q | 93.5 | Very high | 91.7 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.009 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.1 | -37.1 | -177.8 | -69.6 | -173.4 | -26.7 | 0 | 0 | 111.8 | L1455 V1538 F1539 S1542 F1556 G1557 T1564 | L1455-Q1560 HydrophobicContact CD1-CB 4.35Å; L1455-Q1560 HydrophobicContact CD1-CG 4.46Å; L1455-Q1560 HydrophobicContact CD2-CB 4.29Å; V1538-Q1560 HydrophobicContact CG1-CB 4.45Å; F1539-Q1560 VanDerWaalsContact CD2-NE2 3.26Å; S1542-Q1560 PolarHBondContact OG-NE2 2.98Å; F1556-Q1560 HydrophobicContact CE1-CG 4.45Å; F1556-Q1560 VanDerWaalsContact CZ-NE2 3.34Å; F1556-Q1560 WeakPolarHBondContact O-CG 3.29Å; F1556-Q1560 PolarHBondContact O-N 3.07Å; G1557-Q1560 PolarHBondContact O-N 3.38Å; Q1560-T1564 VanDerWaalsContact O-CB 3.32Å; Q1560-T1564 WeakPolarHBondContact O-CB 3.02Å; Q1560-T1564 PolarHBondContact O-N 3.49Å; Q1560-T1564 PolarHBondContact O-OG1 2.98Å |
| 1561 | T | 92.5 | Very high | 92.2 | Very high | 4 Ų | 4 | 18.7 Ų | 18.7 | 3% | 0.025 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66.3 | -48.9 | 175.6 | -56.1 | 0 | 0 | 0 | 0 | 111.9 | I1471 G1557 L1558 F1559 A1563 T1564 I1565 Y1595 | I1471-T1561 WeakPolarHBondContact CG2-OG1 3.4Å; G1557-T1561 WeakPolarHBondContact O-CB 3.41Å; G1557-T1561 PolarHBondContact O-N 3.28Å; G1557-T1561 PolarHBondContact O-OG1 3.39Å; L1558-T1561 PolarHBondContact O-N 3Å; F1559-T1561 VanDerWaalsContact C-N 3.26Å; F1559-T1561 PolarHBondContact O-N 3.2Å; T1561-A1563 PolarHBondContact O-N 3.1Å; T1561-T1564 PolarHBondContact O-N 3.33Å; T1561-I1565 HydrophobicContact CG2-CD1 3.82Å; T1561-I1565 WeakPolarHBondContact O-CG1 3.46Å; T1561-I1565 PolarHBondContact O-N 2.76Å; T1561-Y1595 HydrophobicContact CG2-CE2 3.93Å |
| 1562 | N | 94 | Very high | 92.6 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58.9 | -47 | 176.8 | -178.9 | 62.5 | 0 | 0 | 0 | 111.9 | L1558 F1559 L1566 Y1591 Y1595 F1628 T1632 | L1558-N1562 WeakPolarHBondContact O-CB 3.38Å; L1558-N1562 PolarHBondContact O-N 3.13Å; F1559-N1562 PolarHBondContact O-N 2.82Å; N1562-L1566 PolarHBondContact O-N 3.29Å; N1562-Y1591 WeakPolarHBondContact OD1-CE2 3.46Å; N1562-Y1591 PolarHBondContact OD1-OH 3.02Å; N1562-Y1595 HydrophobicContact CB-CE1 4.22Å; N1562-Y1595 PolarHBondContact N-OH 3.02Å; N1562-F1628 HydrophobicContact CB-CE2 4.12Å; N1562-F1628 HydrophobicContact CB-CZ 3.88Å; N1562-F1628 VanDerWaalsContact ND2-CZ 3.28Å; N1562-F1628 WeakPolarHBondContact ND2-CZ 3.41Å; N1562-T1632 WeakPolarHBondContact ND2-CG2 3.26Å; N1562-T1632 PolarHBondContact ND2-OG1 3.46Å |
| 1563 | A | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.4 | -42.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V1538 F1559 T1561 C1567 T1635 | V1538-A1563 HydrophobicContact CG1-CB 4.11Å; F1559-A1563 HydrophobicContact CE1-CB 4.05Å; F1559-A1563 HydrophobicContact CZ-CB 4.03Å; F1559-A1563 WeakPolarHBondContact O-CB 3.48Å; F1559-A1563 PolarHBondContact O-N 3.04Å; T1561-A1563 PolarHBondContact O-N 3.1Å; A1563-C1567 WeakPolarHBondContact O-CB 3.31Å; A1563-C1567 PolarHBondContact O-N 3.1Å; A1563-T1635 HydrophobicContact CB-CG2 4.22Å |
| 1564 | T | 94.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.006 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -68 | -42.5 | 179.7 | -56.9 | 0 | 0 | 0 | 0 | 112.7 | V1451 Y1452 L1455 F1479 Q1560 T1561 C1567 T1568 | V1451-T1564 HydrophobicContact CG1-CG2 3.9Å; Y1452-T1564 HydrophobicContact CD2-CG2 4.2Å; L1455-T1564 VanDerWaalsContact CD2-OG1 3.29Å; L1455-T1564 WeakPolarHBondContact CD2-OG1 3.12Å; F1479-T1564 HydrophobicContact CE2-CG2 4.01Å; F1479-T1564 HydrophobicContact CZ-CG2 4.11Å; Q1560-T1564 VanDerWaalsContact O-CB 3.32Å; Q1560-T1564 WeakPolarHBondContact O-CB 3.02Å; Q1560-T1564 PolarHBondContact O-N 3.49Å; Q1560-T1564 PolarHBondContact O-OG1 2.98Å; T1561-T1564 PolarHBondContact O-N 3.33Å; T1564-C1567 PolarHBondContact O-N 3.37Å; T1564-T1568 WeakPolarHBondContact O-CB 3.38Å; T1564-T1568 WeakPolarHBondContact O-CG2 3.49Å; T1564-T1568 PolarHBondContact O-N 3.27Å; T1564-T1568 PolarHBondContact O-OG1 3.01Å |
| 1565 | I | 95.1 | Very high | 93.3 | Very high | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.01 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -63.4 | -47.5 | 176.7 | -69.9 | 171.3 | 0 | 0 | 0 | 110 | F1479 M1483 T1561 T1568 L1569 Y1591 Y1595 | F1479-I1565 HydrophobicContact CD2-CD1 4.41Å; F1479-I1565 HydrophobicContact CD2-CG1 3.89Å; F1479-I1565 HydrophobicContact CE2-CG1 3.79Å; M1483-I1565 HydrophobicContact CB-CD1 4.13Å; M1483-I1565 HydrophobicContact CG-CD1 4.3Å; T1561-I1565 HydrophobicContact CG2-CD1 3.82Å; T1561-I1565 WeakPolarHBondContact O-CG1 3.46Å; T1561-I1565 PolarHBondContact O-N 2.76Å; I1565-T1568 PolarHBondContact O-OG1 3.43Å; I1565-T1568 VanDerWaalsContact O-OG1 3.05Å; I1565-L1569 HydrophobicContact CG2-CD1 3.8Å; I1565-L1569 HydrophobicContact CG2-CG 4.39Å; I1565-L1569 WeakPolarHBondContact O-CB 3.41Å; I1565-L1569 WeakPolarHBondContact O-CG 3.23Å; I1565-L1569 PolarHBondContact O-N 3.02Å; I1565-Y1591 HydrophobicContact CG2-CD2 4.17Å; I1565-Y1595 HydrophobicContact CD1-CD1 4.22Å; I1565-Y1595 HydrophobicContact CD1-CD2 3.37Å; I1565-Y1595 HydrophobicContact CD1-CE1 4.42Å; I1565-Y1595 HydrophobicContact CD1-CE2 3.61Å; I1565-Y1595 HydrophobicContact CD1-CG 3.7Å |
| 1566 | L | 95.1 | Very high | 93.4 | Very high | 14 Ų | 14 | 13.3 Ų | 13.3 | 7% | 0.073 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -64.7 | -42.1 | 176.4 | -76.2 | 170.2 | 0 | 0 | 0 | 112.6 | N1562 L1569 F1570 F1587 Y1591 T1632 I1636 | N1562-L1566 PolarHBondContact O-N 3.29Å; L1566-L1569 PolarHBondContact O-N 2.91Å; L1566-F1570 HydrophobicContact CB-CD2 4.43Å; L1566-F1570 HydrophobicContact CD2-CE2 4.2Å; L1566-F1570 WeakPolarHBondContact O-CB 3.23Å; L1566-F1570 WeakPolarHBondContact O-CD2 3.12Å; L1566-F1570 PolarHBondContact O-N 3.49Å; L1566-F1587 HydrophobicContact CD2-CZ 4.48Å; L1566-Y1591 HydrophobicContact CD1-CE2 3.91Å; L1566-Y1591 HydrophobicContact CD2-CD1 4.06Å; L1566-Y1591 HydrophobicContact CD2-CD2 3.62Å; L1566-Y1591 HydrophobicContact CD2-CE1 3.99Å; L1566-Y1591 HydrophobicContact CD2-CE2 3.57Å; L1566-Y1591 HydrophobicContact CD2-CG 3.89Å; L1566-Y1591 HydrophobicContact CG-CD2 3.95Å; L1566-Y1591 HydrophobicContact CG-CE2 3.52Å; L1566-T1632 HydrophobicContact CD1-CG2 3.59Å; L1566-I1636 HydrophobicContact CB-CD1 3.58Å; L1566-I1636 HydrophobicContact CB-CG1 4.2Å; L1566-I1636 HydrophobicContact CD1-CD1 4Å; L1566-I1636 HydrophobicContact CG-CD1 4.39Å |
| 1567 | C | 95.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.007 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -62.7 | -45.3 | -179.8 | -161.9 | 0 | 0 | 0 | 0 | 111.6 | Q1534 A1563 T1564 F1570 H1571 A1639 | Q1534-C1567 PolarHBondContact OE1-SG 2.97Å; A1563-C1567 WeakPolarHBondContact O-CB 3.31Å; A1563-C1567 PolarHBondContact O-N 3.1Å; T1564-C1567 PolarHBondContact O-N 3.37Å; C1567-F1570 PolarHBondContact O-N 2.82Å; C1567-H1571 VanDerWaalsContact O-CB 3.32Å; C1567-H1571 WeakPolarHBondContact O-CB 3.49Å; C1567-H1571 PolarHBondContact O-N 3.24Å; C1567-A1639 WeakPolarHBondContact SG-CB 3.37Å |
| 1568 | T | 94.8 | Very high | 93 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.8 | -44 | 174.7 | 51.4 | 0 | 0 | 0 | 0 | 112.2 | Y1444 Y1447 K1448 T1564 I1565 F1570 H1571 S1572 | Y1444-T1568 PolarHBondContact OH-O 3.44Å; Y1447-T1568 HydrophobicContact CE1-CG2 4.45Å; K1448-T1568 HydrophobicContact CB-CG2 4.28Å; T1564-T1568 WeakPolarHBondContact O-CB 3.38Å; T1564-T1568 WeakPolarHBondContact O-CG2 3.49Å; T1564-T1568 PolarHBondContact O-N 3.27Å; T1564-T1568 PolarHBondContact O-OG1 3.01Å; I1565-T1568 PolarHBondContact O-OG1 3.43Å; I1565-T1568 VanDerWaalsContact O-OG1 3.05Å; T1568-F1570 PolarHBondContact O-N 2.81Å; T1568-H1571 WeakPolarHBondContact O-CB 3.33Å; T1568-H1571 PolarHBondContact O-N 3.01Å; T1568-S1572 PolarHBondContact O-N 3.44Å |
| 1569 | L | 95.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.01 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.3 | -40 | 176.4 | -70.7 | 175.9 | 0 | 0 | 0 | 113 | P1487 I1565 L1566 S1572 L1573 F1587 Y1591 | P1487-L1569 HydrophobicContact CG-CD2 3.58Å; I1565-L1569 HydrophobicContact CG2-CD1 3.8Å; I1565-L1569 HydrophobicContact CG2-CG 4.39Å; I1565-L1569 WeakPolarHBondContact O-CB 3.41Å; I1565-L1569 WeakPolarHBondContact O-CG 3.23Å; I1565-L1569 PolarHBondContact O-N 3.02Å; L1566-L1569 PolarHBondContact O-N 2.91Å; L1569-S1572 WeakPolarHBondContact O-CB 3.2Å; L1569-S1572 PolarHBondContact O-N 3.31Å; L1569-L1573 PolarHBondContact O-N 2.91Å; L1569-F1587 HydrophobicContact CB-CD2 3.71Å; L1569-F1587 HydrophobicContact CB-CE2 3.6Å; L1569-Y1591 HydrophobicContact CD1-CD2 4.47Å |
| 1570 | F | 95.5 | Very high | 92.6 | Very high | 75 Ų | 75 | 25.9 Ų | 25.9 | 33% | 0.329 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -70.6 | -36.2 | 173.2 | -80.2 | -63.5 | 0 | 0 | 0 | 112.4 | L1566 C1567 T1568 S1572 L1573 I1574 F1587 I1636 L1640 | L1566-F1570 HydrophobicContact CB-CD2 4.43Å; L1566-F1570 HydrophobicContact CD2-CE2 4.2Å; L1566-F1570 WeakPolarHBondContact O-CB 3.23Å; L1566-F1570 WeakPolarHBondContact O-CD2 3.12Å; L1566-F1570 PolarHBondContact O-N 3.49Å; C1567-F1570 PolarHBondContact O-N 2.82Å; T1568-F1570 PolarHBondContact O-N 2.81Å; F1570-S1572 VanDerWaalsContact C-N 3.29Å; F1570-S1572 PolarHBondContact O-N 3.46Å; F1570-L1573 HydrophobicContact CD1-CD1 4.18Å; F1570-L1573 PolarHBondContact O-N 3.34Å; F1570-I1574 WeakPolarHBondContact O-CG1 3.47Å; F1570-I1574 PolarHBondContact O-N 3.22Å; F1570-F1587 AromaticContact CD1-CE2 3.96Å; F1570-F1587 HydrophobicContact CD1-CE2 3.96Å; F1570-F1587 HydrophobicContact CD1-CZ 4.21Å; F1570-F1587 HydrophobicContact CD2-CE2 4.4Å; F1570-F1587 HydrophobicContact CD2-CZ 4.41Å; F1570-F1587 HydrophobicContact CE1-CE2 4.01Å; F1570-F1587 AromaticContact CE1-CZ 3.79Å; F1570-F1587 HydrophobicContact CE1-CZ 3.79Å; F1570-F1587 HydrophobicContact CE2-CE2 4.44Å; F1570-F1587 HydrophobicContact CE2-CZ 4.02Å; F1570-F1587 HydrophobicContact CG-CE2 4.16Å; F1570-F1587 HydrophobicContact CG-CZ 4.5Å; F1570-F1587 HydrophobicContact CZ-CE2 4.26Å; F1570-F1587 AromaticContact CZ-CZ 3.68Å; F1570-F1587 HydrophobicContact CZ-CZ 3.68Å; F1570-I1636 HydrophobicContact CB-CG2 4.43Å; F1570-I1636 HydrophobicContact CD2-CD1 4.27Å; F1570-I1636 HydrophobicContact CD2-CG2 3.76Å; F1570-I1636 HydrophobicContact CE2-CD1 4.23Å; F1570-I1636 HydrophobicContact CE2-CG2 4.39Å; F1570-I1636 HydrophobicContact CG-CG2 4.33Å; F1570-L1640 HydrophobicContact CB-CD1 3.59Å |
| 1571 | H | 95.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60 | -40.3 | 172 | -165.5 | 113.8 | 0 | 0 | 0 | 111.6 | Y1447 D1530 Q1534 C1567 T1568 L1573 I1574 I1575 L1640 | Y1447-H1571 HydrophobicContact CE1-CB 4.16Å; Y1447-H1571 AromaticContact CE1-CD2 3.6Å; Y1447-H1571 AromaticContact CE1-CE1 3.97Å; Y1447-H1571 AromaticContact CE1-CG 3.68Å; Y1447-H1571 AromaticContact CE1-ND1 3.94Å; Y1447-H1571 AromaticContact CE1-NE2 3.83Å; Y1447-H1571 AromaticContact CE2-CE1 3.74Å; Y1447-H1571 AromaticContact CZ-CD2 3.9Å; Y1447-H1571 AromaticContact CZ-CE1 3.49Å; Y1447-H1571 VanDerWaalsContact CZ-CE1 3.49Å; Y1447-H1571 AromaticContact CZ-CG 3.69Å; Y1447-H1571 AromaticContact CZ-ND1 3.46Å; Y1447-H1571 AromaticContact CZ-NE2 3.82Å; Y1447-H1571 PolarHBondContact OH-ND1 2.95Å; Y1447-H1571 VanDerWaalsContact OH-ND1 3.1Å; D1530-H1571 IonicContact OD2-CE1 2.6Å; Q1534-H1571 PolarHBondContact NE2-CE1 2.98Å; Q1534-H1571 VanDerWaalsContact NE2-CE1 3.34Å; Q1534-H1571 PolarHBondContact NE2-ND1 3.33Å; C1567-H1571 VanDerWaalsContact O-CB 3.32Å; C1567-H1571 WeakPolarHBondContact O-CB 3.49Å; C1567-H1571 PolarHBondContact O-N 3.24Å; T1568-H1571 WeakPolarHBondContact O-CB 3.33Å; T1568-H1571 PolarHBondContact O-N 3.01Å; H1571-L1573 VanDerWaalsContact C-N 3.35Å; H1571-L1573 PolarHBondContact O-N 3.07Å; H1571-I1574 PolarHBondContact O-N 3.24Å; H1571-I1575 WeakPolarHBondContact NE2-CD1 3.38Å; H1571-I1575 PolarHBondContact O-N 2.77Å; H1571-L1640 HydrophobicContact CB-CD2 3.74Å |
| 1572 | S | 93.7 | Very high | 92.6 | Very high | 6 Ų | 6 | 34.6 Ų | 34.6 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.7 | -45.4 | 173.7 | -168.8 | 0 | 0 | 0 | 0 | 111.3 | P1487 M1491 T1568 L1569 F1570 I1574 I1575 T1576 | P1487-S1572 WeakPolarHBondContact CB-OG 3.42Å; M1491-S1572 WeakPolarHBondContact CE-O 3.24Å; M1491-S1572 VanDerWaalsContact CE-OG 3.23Å; M1491-S1572 WeakPolarHBondContact CE-OG 3.46Å; T1568-S1572 PolarHBondContact O-N 3.44Å; L1569-S1572 WeakPolarHBondContact O-CB 3.2Å; L1569-S1572 PolarHBondContact O-N 3.31Å; F1570-S1572 VanDerWaalsContact C-N 3.29Å; F1570-S1572 PolarHBondContact O-N 3.46Å; S1572-I1574 VanDerWaalsContact C-N 3.35Å; S1572-I1574 PolarHBondContact O-N 3.11Å; S1572-I1575 PolarHBondContact O-N 2.85Å; S1572-T1576 PolarHBondContact O-N 3.16Å; S1572-T1576 PolarHBondContact O-OG1 3.35Å |
| 1573 | L | 92.4 | Very high | 92.5 | Very high | 46 Ų | 46 | 35 Ų | 35 | 24% | 0.241 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.8 | -36.4 | 175.1 | -65.9 | 178.2 | 0 | 0 | 0 | 112.9 | L1569 F1570 H1571 T1576 M1579 F1587 | L1569-L1573 PolarHBondContact O-N 2.91Å; F1570-L1573 HydrophobicContact CD1-CD1 4.18Å; F1570-L1573 PolarHBondContact O-N 3.34Å; H1571-L1573 VanDerWaalsContact C-N 3.35Å; H1571-L1573 PolarHBondContact O-N 3.07Å; L1573-T1576 PolarHBondContact O-N 3.03Å; L1573-M1579 HydrophobicContact CB-CE 3.89Å; L1573-M1579 HydrophobicContact CD2-CE 3.77Å; L1573-M1579 HydrophobicContact CD2-SD 4.06Å; L1573-M1579 HydrophobicContact CG-CE 4.43Å; L1573-M1579 WeakPolarHBondContact O-CE 3.5Å; L1573-F1587 HydrophobicContact CD1-CD2 3.44Å; L1573-F1587 VanDerWaalsContact CD1-CD2 3.44Å; L1573-F1587 HydrophobicContact CD1-CE2 3.71Å; L1573-F1587 HydrophobicContact CD1-CG 4.06Å; L1573-F1587 HydrophobicContact CG-CD2 3.91Å; L1573-F1587 HydrophobicContact CG-CE2 4.46Å |
| 1574 | I | 91.6 | Very high | 92.4 | Very high | 58 Ų | 58 | 37 Ų | 37 | 30% | 0.297 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -69.1 | -32.1 | 177.4 | -69 | 168.5 | 0 | 0 | 0 | 112.1 | F1570 H1571 S1572 L1640 L1644 I1647 | F1570-I1574 WeakPolarHBondContact O-CG1 3.47Å; F1570-I1574 PolarHBondContact O-N 3.22Å; H1571-I1574 PolarHBondContact O-N 3.24Å; S1572-I1574 VanDerWaalsContact C-N 3.35Å; S1572-I1574 PolarHBondContact O-N 3.11Å; I1574-L1640 HydrophobicContact CD1-CB 4.25Å; I1574-L1640 HydrophobicContact CD1-CD1 3.97Å; I1574-L1640 HydrophobicContact CD1-CG 4.49Å; I1574-L1644 HydrophobicContact CG2-CD1 4.46Å; I1574-I1647 HydrophobicContact CG2-CD1 3.68Å |
| 1575 | I | 89.7 | Confident | 92.4 | Very high | 28 Ų | 28 | 40.5 Ų | 40.5 | 14% | 0.144 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -77.9 | -31.7 | 175.9 | -74.4 | -174.4 | 0 | 0 | 0 | 112.6 | Y1444 M1491 H1571 S1572 R1577 | Y1444-I1575 HydrophobicContact CD2-CD1 4.45Å; M1491-I1575 HydrophobicContact CE-CB 4.12Å; M1491-I1575 HydrophobicContact CE-CG2 3.92Å; H1571-I1575 WeakPolarHBondContact NE2-CD1 3.38Å; H1571-I1575 PolarHBondContact O-N 2.77Å; S1572-I1575 PolarHBondContact O-N 2.85Å; I1575-R1577 PolarHBondContact O-N 3.31Å |
| 1576 | T | 90.6 | Very high | 92.3 | Very high | 12 Ų | 12 | 40.6 Ų | 40.6 | 7% | 0.074 | 22% | 0.221 | C | C | . | . | trans | -62.7 | 119.4 | -175.5 | -58.6 | 0 | 0 | 0 | 0 | 111.5 | M1491 S1572 L1573 M1579 | M1491-T1576 VanDerWaalsContact CE-OG1 3.26Å; M1491-T1576 WeakPolarHBondContact CE-OG1 3.46Å; S1572-T1576 PolarHBondContact O-N 3.16Å; S1572-T1576 PolarHBondContact O-OG1 3.35Å; L1573-T1576 PolarHBondContact O-N 3.03Å; T1576-M1579 HydrophobicContact CG2-CE 4.14Å; T1576-M1579 HydrophobicContact CG2-SD 3.94Å | ||
| 1577 | R | 87.3 | Confident | 92.3 | Very high | 82 Ų | 82 | 41 Ų | 41 | 31% | 0.309 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -84.7 | -26.2 | -175.1 | -63.5 | 163.2 | -62.3 | 168.4 | 18.6 | 112.6 | D1436 H1440 D1495 I1575 | D1436-R1577 IonicContact OD1-CZ 2.69Å; D1436-R1577 IonicContact OD1-NH1 3.61Å; D1436-R1577 PolarHBondContact OD1-NH1 2.93Å; D1436-R1577 IonicContact OD1-NH2 3.41Å; D1436-R1577 IonicContact OD2-CZ 2.96Å; D1436-R1577 IonicContact OD2-NH1 3.82Å; D1436-R1577 PolarHBondContact OD2-NH1 3.11Å; D1436-R1577 IonicContact OD2-NH2 2.71Å; D1436-R1577 PolarHBondContact OD2-NH2 3.11Å; H1440-R1577 PolarHBondContact CD2-NH1 2.87Å; H1440-R1577 PolarHBondContact NE2-NH1 2.65Å; D1495-R1577 PolarHBondContact O-NH2 3.15Å; D1495-R1577 WeakPolarHBondContact OD1-CA 3.45Å; D1495-R1577 PolarHBondContact OD1-N 3Å; D1495-R1577 IonicContact OD2-CZ 3.7Å; D1495-R1577 PolarHBondContact OD2-N 3.43Å; D1495-R1577 IonicContact OD2-NE 2.76Å; D1495-R1577 PolarHBondContact OD2-NE 3Å; D1495-R1577 IonicContact OD2-NH2 3.93Å; D1495-R1577 PolarHBondContact OD2-NH2 3.25Å; I1575-R1577 PolarHBondContact O-N 3.31Å |
| 1578 | T | 86.4 | Confident | 92.3 | Very high | 39 Ų | 39 | 46.7 Ų | 46.7 | 24% | 0.239 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -131.6 | 98.3 | -180 | 51.2 | 0 | 0 | 0 | 0 | 112.8 | D1495 N1496 V1580 H1583 | D1495-T1578 WeakPolarHBondContact CA-OG1 3.42Å; D1495-T1578 PolarHBondContact OD1-N 3.1Å; D1495-T1578 PolarHBondContact OD1-OG1 3.38Å; N1496-T1578 PolarHBondContact N-OG1 3.47Å; N1496-T1578 VanDerWaalsContact N-OG1 3.15Å; N1496-T1578 WeakPolarHBondContact O-CG2 3.35Å; N1496-T1578 PolarHBondContact O-OG1 3.1Å; N1496-T1578 VanDerWaalsContact O-OG1 3.11Å; T1578-V1580 PolarHBondContact O-N 2.97Å; T1578-H1583 PolarHBondContact O-ND1 3.42Å |
| 1579 | M | 86.8 | Confident | 92.3 | Very high | 113 Ų | 113 | 49.2 Ų | 49.2 | 56% | 0.557 | 26% | 0.262 | S | S | * | . | trans | -69.5 | 86.8 | 175.4 | -69.1 | -64.6 | 177.7 | 0 | 0 | 112.4 | L1573 T1576 H1583 | L1573-M1579 HydrophobicContact CB-CE 3.89Å; L1573-M1579 HydrophobicContact CD2-CE 3.77Å; L1573-M1579 HydrophobicContact CD2-SD 4.06Å; L1573-M1579 HydrophobicContact CG-CE 4.43Å; L1573-M1579 WeakPolarHBondContact O-CE 3.5Å; T1576-M1579 HydrophobicContact CG2-CE 4.14Å; T1576-M1579 HydrophobicContact CG2-SD 3.94Å; M1579-H1583 HydrophobicContact SD-CB 4.33Å | ||
| 1580 | V | 89.5 | Confident | 92.3 | Very high | 59 Ų | 59 | 49.1 Ų | 49.1 | 36% | 0.358 | 26% | 0.262 | S | S | . | . | trans | -83.3 | 154.9 | 158.8 | -60.9 | 0 | 0 | 0 | 0 | 111.2 | W1494 T1578 L1582 H1583 | W1494-V1580 HydrophobicContact CB-CG2 3.99Å; T1578-V1580 PolarHBondContact O-N 2.97Å; V1580-L1582 HydrophobicContact CG2-CB 4.27Å; V1580-L1582 PolarHBondContact O-N 3.28Å; V1580-H1583 VanDerWaalsContact CG2-ND1 3.3Å; V1580-H1583 WeakPolarHBondContact CG2-ND1 3.4Å; V1580-H1583 PolarHBondContact O-N 2.92Å | ||
| 1581 | V | 92.3 | Very high | 92.3 | Very high | 116 Ų | 116 | 46.7 Ų | 46.7 | 70% | 0.703 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -50.5 | -33.2 | -178 | -179.7 | 0 | 0 | 0 | 0 | 113 | H1583 A1584 V1585 | V1581-H1583 VanDerWaalsContact C-N 3.32Å; V1581-H1583 PolarHBondContact O-N 2.87Å; V1581-A1584 PolarHBondContact O-N 2.95Å; V1581-V1585 HydrophobicContact CG1-CG2 4.11Å; V1581-V1585 WeakPolarHBondContact O-CG2 3.41Å; V1581-V1585 PolarHBondContact O-N 3.16Å |
| 1582 | L | 93.1 | Very high | 92.3 | Very high | 73 Ų | 73 | 50.4 Ų | 50.4 | 38% | 0.382 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.6 | -31.4 | 178.5 | -63 | 175.8 | 0 | 0 | 0 | 113.8 | I1490 W1494 V1580 S1586 | I1490-L1582 HydrophobicContact CG2-CB 3.99Å; W1494-L1582 HydrophobicContact CD2-CD1 3.65Å; W1494-L1582 HydrophobicContact CE3-CD1 3.72Å; W1494-L1582 HydrophobicContact CG-CD1 4.31Å; W1494-L1582 HydrophobicContact CH2-CD1 3.94Å; W1494-L1582 HydrophobicContact CZ2-CD1 3.85Å; W1494-L1582 HydrophobicContact CZ3-CD1 3.88Å; V1580-L1582 HydrophobicContact CG2-CB 4.27Å; V1580-L1582 PolarHBondContact O-N 3.28Å; L1582-S1586 WeakPolarHBondContact O-CB 3.36Å; L1582-S1586 PolarHBondContact O-N 2.98Å |
| 1583 | H | 92.9 | Very high | 92.2 | Very high | 7 Ų | 7 | 55.1 Ų | 55.1 | 3% | 0.032 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.2 | -42.6 | 175.1 | -68 | 98.4 | 0 | 0 | 0 | 111.3 | T1578 M1579 V1580 V1581 S1586 F1587 | T1578-H1583 PolarHBondContact O-ND1 3.42Å; M1579-H1583 HydrophobicContact SD-CB 4.33Å; V1580-H1583 VanDerWaalsContact CG2-ND1 3.3Å; V1580-H1583 WeakPolarHBondContact CG2-ND1 3.4Å; V1580-H1583 PolarHBondContact O-N 2.92Å; V1581-H1583 VanDerWaalsContact C-N 3.32Å; V1581-H1583 PolarHBondContact O-N 2.87Å; H1583-S1586 WeakPolarHBondContact O-CB 3.39Å; H1583-S1586 PolarHBondContact O-N 3.01Å; H1583-F1587 PolarHBondContact O-N 3.14Å |
| 1584 | A | 92.1 | Very high | 92.1 | Very high | 44 Ų | 44 | 54.2 Ų | 54.2 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1581 S1586 F1587 F1588 | V1581-A1584 PolarHBondContact O-N 2.95Å; A1584-S1586 VanDerWaalsContact C-N 3.32Å; A1584-S1586 PolarHBondContact O-N 3.35Å; A1584-F1587 PolarHBondContact O-N 3.49Å; A1584-F1588 WeakPolarHBondContact O-CD2 3.49Å; A1584-F1588 PolarHBondContact O-N 3.4Å; A1584-F1588 VanDerWaalsContact O-N 3.12Å |
| 1585 | V | 94.3 | Very high | 92.2 | Very high | 74 Ų | 74 | 51.5 Ų | 51.5 | 45% | 0.448 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.3 | -43.2 | 172.2 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | V1581 F1587 F1588 V1589 | V1581-V1585 HydrophobicContact CG1-CG2 4.11Å; V1581-V1585 WeakPolarHBondContact O-CG2 3.41Å; V1581-V1585 PolarHBondContact O-N 3.16Å; V1585-F1587 PolarHBondContact O-N 3.41Å; V1585-F1588 PolarHBondContact O-N 3.35Å; V1585-V1589 HydrophobicContact CG1-CG2 3.93Å; V1585-V1589 VanDerWaalsContact O-CB 3.3Å; V1585-V1589 WeakPolarHBondContact O-CB 3.34Å; V1585-V1589 VanDerWaalsContact O-CG2 3.24Å; V1585-V1589 WeakPolarHBondContact O-CG2 3.33Å; V1585-V1589 PolarHBondContact O-N 3.28Å |
| 1586 | S | 94.3 | Very high | 92.3 | Very high | 4 Ų | 4 | 51.4 Ų | 51.4 | 3% | 0.028 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59 | -44.1 | 176.6 | -171.4 | 0 | 0 | 0 | 0 | 112.6 | L1486 P1487 L1582 H1583 A1584 S1590 | L1486-S1586 WeakPolarHBondContact CG-OG 3.25Å; P1487-S1586 WeakPolarHBondContact CA-OG 3.46Å; L1582-S1586 WeakPolarHBondContact O-CB 3.36Å; L1582-S1586 PolarHBondContact O-N 2.98Å; H1583-S1586 WeakPolarHBondContact O-CB 3.39Å; H1583-S1586 PolarHBondContact O-N 3.01Å; A1584-S1586 VanDerWaalsContact C-N 3.32Å; A1584-S1586 PolarHBondContact O-N 3.35Å; S1586-S1590 WeakPolarHBondContact O-CB 3.35Å; S1586-S1590 PolarHBondContact O-N 2.89Å |
| 1587 | F | 94.4 | Very high | 92.4 | Very high | 21 Ų | 21 | 54.4 Ų | 54.4 | 9% | 0.092 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.3 | -50.9 | 177.3 | 179.4 | -83.2 | 0 | 0 | 0 | 111.2 | L1566 L1569 F1570 L1573 H1583 A1584 V1585 Y1591 | L1566-F1587 HydrophobicContact CD2-CZ 4.48Å; L1569-F1587 HydrophobicContact CB-CD2 3.71Å; L1569-F1587 HydrophobicContact CB-CE2 3.6Å; F1570-F1587 AromaticContact CD1-CE2 3.96Å; F1570-F1587 HydrophobicContact CD1-CE2 3.96Å; F1570-F1587 HydrophobicContact CD1-CZ 4.21Å; F1570-F1587 HydrophobicContact CD2-CE2 4.4Å; F1570-F1587 HydrophobicContact CD2-CZ 4.41Å; F1570-F1587 HydrophobicContact CE1-CE2 4.01Å; F1570-F1587 AromaticContact CE1-CZ 3.79Å; F1570-F1587 HydrophobicContact CE1-CZ 3.79Å; F1570-F1587 HydrophobicContact CE2-CE2 4.44Å; F1570-F1587 HydrophobicContact CE2-CZ 4.02Å; F1570-F1587 HydrophobicContact CG-CE2 4.16Å; F1570-F1587 HydrophobicContact CG-CZ 4.5Å; F1570-F1587 HydrophobicContact CZ-CE2 4.26Å; F1570-F1587 AromaticContact CZ-CZ 3.68Å; F1570-F1587 HydrophobicContact CZ-CZ 3.68Å; L1573-F1587 HydrophobicContact CD1-CD2 3.44Å; L1573-F1587 VanDerWaalsContact CD1-CD2 3.44Å; L1573-F1587 HydrophobicContact CD1-CE2 3.71Å; L1573-F1587 HydrophobicContact CD1-CG 4.06Å; L1573-F1587 HydrophobicContact CG-CD2 3.91Å; L1573-F1587 HydrophobicContact CG-CE2 4.46Å; H1583-F1587 PolarHBondContact O-N 3.14Å; A1584-F1587 PolarHBondContact O-N 3.49Å; V1585-F1587 PolarHBondContact O-N 3.41Å; F1587-Y1591 PolarHBondContact O-N 3.3Å |
| 1588 | F | 94.9 | Very high | 92.5 | Very high | 122 Ų | 122 | 53.9 Ų | 53.9 | 54% | 0.535 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -69.3 | -36.4 | -179.3 | -68.9 | -60.9 | 0 | 0 | 0 | 113.3 | A1584 V1585 I1592 | A1584-F1588 WeakPolarHBondContact O-CD2 3.49Å; A1584-F1588 PolarHBondContact O-N 3.4Å; A1584-F1588 VanDerWaalsContact O-N 3.12Å; V1585-F1588 PolarHBondContact O-N 3.35Å; F1588-I1592 HydrophobicContact CB-CD1 4.38Å; F1588-I1592 HydrophobicContact CD1-CD1 3.99Å; F1588-I1592 VanDerWaalsContact O-CB 3.26Å; F1588-I1592 WeakPolarHBondContact O-CB 3.42Å; F1588-I1592 WeakPolarHBondContact O-CG1 3.49Å; F1588-I1592 PolarHBondContact O-N 3.05Å |
| 1589 | V | 95.4 | Very high | 92.6 | Very high | 52 Ų | 52 | 52 Ų | 52 | 32% | 0.315 | 28% | 0.28 | S | S | . | . | I | π-helix | trans | -67.7 | -44.6 | 176.3 | 169.3 | 0 | 0 | 0 | 0 | 110.9 | L1486 V1585 L1593 S1594 | L1486-V1589 HydrophobicContact CD2-CB 4.17Å; L1486-V1589 HydrophobicContact CD2-CG1 3.86Å; V1585-V1589 HydrophobicContact CG1-CG2 3.93Å; V1585-V1589 VanDerWaalsContact O-CB 3.3Å; V1585-V1589 WeakPolarHBondContact O-CB 3.34Å; V1585-V1589 VanDerWaalsContact O-CG2 3.24Å; V1585-V1589 WeakPolarHBondContact O-CG2 3.33Å; V1585-V1589 PolarHBondContact O-N 3.28Å; V1589-L1593 HydrophobicContact CG1-CD2 4.45Å; V1589-L1593 WeakPolarHBondContact O-CB 3.27Å; V1589-L1593 PolarHBondContact O-N 3.41Å; V1589-L1593 VanDerWaalsContact O-N 3.14Å; V1589-S1594 PolarHBondContact O-N 3.33Å |
| 1590 | S | 95.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.007 | 27% | 0.268 | C | S | . | . | I | π-helix | trans | -59.9 | -51.5 | 173.9 | -88.9 | 0 | 0 | 0 | 0 | 112 | M1483 S1586 S1594 Y1595 | M1483-S1590 WeakPolarHBondContact O-CB 3.21Å; M1483-S1590 PolarHBondContact O-OG 3.3Å; S1586-S1590 WeakPolarHBondContact O-CB 3.35Å; S1586-S1590 PolarHBondContact O-N 2.89Å; S1590-S1594 WeakPolarHBondContact O-CB 3.33Å; S1590-Y1595 PolarHBondContact O-N 3.32Å |
| 1591 | Y | 95.4 | Very high | 92.7 | Very high | 23 Ų | 23 | 50.6 Ų | 50.6 | 9% | 0.09 | 27% | 0.271 | C | S | . | . | I | π-helix | trans | -74.9 | -47.6 | -174.2 | -172 | -118 | 0 | 0 | 0 | 113.8 | N1562 I1565 L1566 L1569 F1587 Y1595 L1596 | N1562-Y1591 WeakPolarHBondContact OD1-CE2 3.46Å; N1562-Y1591 PolarHBondContact OD1-OH 3.02Å; I1565-Y1591 HydrophobicContact CG2-CD2 4.17Å; L1566-Y1591 HydrophobicContact CD1-CE2 3.91Å; L1566-Y1591 HydrophobicContact CD2-CD1 4.06Å; L1566-Y1591 HydrophobicContact CD2-CD2 3.62Å; L1566-Y1591 HydrophobicContact CD2-CE1 3.99Å; L1566-Y1591 HydrophobicContact CD2-CE2 3.57Å; L1566-Y1591 HydrophobicContact CD2-CG 3.89Å; L1566-Y1591 HydrophobicContact CG-CD2 3.95Å; L1566-Y1591 HydrophobicContact CG-CE2 3.52Å; L1569-Y1591 HydrophobicContact CD1-CD2 4.47Å; F1587-Y1591 PolarHBondContact O-N 3.3Å; Y1591-Y1595 AromaticContact CD2-CD1 3.94Å; Y1591-Y1595 HydrophobicContact CD2-CD1 3.94Å; Y1591-Y1595 AromaticContact CE2-CD1 3.7Å; Y1591-Y1595 HydrophobicContact CE2-CD1 3.7Å; Y1591-Y1595 HydrophobicContact CE2-CE1 4.03Å; Y1591-Y1595 WeakPolarHBondContact O-CB 3.47Å; Y1591-L1596 HydrophobicContact CD1-CD1 4.04Å; Y1591-L1596 HydrophobicContact CE1-CD1 3.49Å; Y1591-L1596 VanDerWaalsContact CE1-CD1 3.49Å; Y1591-L1596 HydrophobicContact CE1-CG 4.14Å; Y1591-L1596 HydrophobicContact CE2-CD1 4.49Å; Y1591-L1596 HydrophobicContact CE2-CG 4.27Å; Y1591-L1596 WeakPolarHBondContact O-CG 3.36Å; Y1591-L1596 PolarHBondContact O-N 3.37Å |
| 1592 | I | 94.6 | Very high | 92.3 | Very high | 79 Ų | 79 | 45.8 Ų | 45.8 | 41% | 0.405 | 24% | 0.24 | S | C | . | . | I | π-helix | trans | -84.2 | -51.9 | -172.8 | -54.9 | 176.1 | 0 | 0 | 0 | 110.8 | F1588 I1597 | F1588-I1592 HydrophobicContact CB-CD1 4.38Å; F1588-I1592 HydrophobicContact CD1-CD1 3.99Å; F1588-I1592 VanDerWaalsContact O-CB 3.26Å; F1588-I1592 WeakPolarHBondContact O-CB 3.42Å; F1588-I1592 WeakPolarHBondContact O-CG1 3.49Å; F1588-I1592 PolarHBondContact O-N 3.05Å; I1592-I1597 HydrophobicContact CG2-CD1 4.13Å; I1592-I1597 WeakPolarHBondContact O-CB 3.17Å; I1592-I1597 VanDerWaalsContact O-CG1 3.29Å; I1592-I1597 WeakPolarHBondContact O-CG1 3.42Å; I1592-I1597 PolarHBondContact O-N 3.18Å |
| 1593 | L | 91.6 | Very high | 92 | Very high | 104 Ų | 104 | 42.5 Ų | 42.5 | 55% | 0.545 | 22% | 0.223 | S | C | . | . | I | π-helix | trans | -83.3 | -49.7 | -172.9 | -176.3 | 62 | 0 | 0 | 0 | 112.4 | V1589 I1597 | V1589-L1593 HydrophobicContact CG1-CD2 4.45Å; V1589-L1593 WeakPolarHBondContact O-CB 3.27Å; V1589-L1593 PolarHBondContact O-N 3.41Å; V1589-L1593 VanDerWaalsContact O-N 3.14Å; L1593-I1597 HydrophobicContact CD1-CD1 4.18Å; L1593-I1597 HydrophobicContact CD1-CG2 4.5Å |
| 1594 | S | 91.3 | Very high | 91.6 | Very high | 27 Ų | 27 | 43.7 Ų | 43.7 | 19% | 0.189 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -74.4 | -43.3 | -177.7 | -167.6 | 0 | 0 | 0 | 0 | 112.3 | T1482 M1483 V1589 S1590 F1598 | T1482-S1594 WeakPolarHBondContact CB-OG 3.32Å; T1482-S1594 PolarHBondContact O-OG 2.95Å; M1483-S1594 WeakPolarHBondContact CE-O 3.37Å; M1483-S1594 PolarHBondContact SD-OG 3.42Å; M1483-S1594 VanDerWaalsContact SD-OG 3.37Å; V1589-S1594 PolarHBondContact O-N 3.33Å; S1590-S1594 WeakPolarHBondContact O-CB 3.33Å; S1594-F1598 WeakPolarHBondContact O-CB 3.02Å |
| 1595 | Y | 93.2 | Very high | 91 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | I | π-helix | trans | -91.2 | -76.4 | -178.9 | 176.3 | -116.5 | 0 | 0 | 0 | 112.8 | M1483 L1558 T1561 N1562 I1565 S1590 Y1591 I1597 F1598 T1599 | M1483-Y1595 HydrophobicContact CE-CD2 4.49Å; M1483-Y1595 HydrophobicContact SD-CD2 4.39Å; L1558-Y1595 WeakPolarHBondContact CD1-OH 3.34Å; T1561-Y1595 HydrophobicContact CG2-CE2 3.93Å; N1562-Y1595 HydrophobicContact CB-CE1 4.22Å; N1562-Y1595 PolarHBondContact N-OH 3.02Å; I1565-Y1595 HydrophobicContact CD1-CD1 4.22Å; I1565-Y1595 HydrophobicContact CD1-CD2 3.37Å; I1565-Y1595 HydrophobicContact CD1-CE1 4.42Å; I1565-Y1595 HydrophobicContact CD1-CE2 3.61Å; I1565-Y1595 HydrophobicContact CD1-CG 3.7Å; S1590-Y1595 PolarHBondContact O-N 3.32Å; Y1591-Y1595 AromaticContact CD2-CD1 3.94Å; Y1591-Y1595 HydrophobicContact CD2-CD1 3.94Å; Y1591-Y1595 AromaticContact CE2-CD1 3.7Å; Y1591-Y1595 HydrophobicContact CE2-CD1 3.7Å; Y1591-Y1595 HydrophobicContact CE2-CE1 4.03Å; Y1591-Y1595 WeakPolarHBondContact O-CB 3.47Å; Y1595-I1597 PolarHBondContact O-N 3.38Å; Y1595-F1598 PolarHBondContact O-N 3.03Å; Y1595-F1598 VanDerWaalsContact O-N 3.16Å; Y1595-T1599 WeakPolarHBondContact O-CB 2.92Å; Y1595-T1599 PolarHBondContact O-N 2.89Å; Y1595-T1599 PolarHBondContact O-OG1 2.91Å; Y1595-T1599 VanDerWaalsContact O-OG1 3.11Å |
| 1596 | L | 92.6 | Very high | 89.6 | Confident | 26 Ų | 26 | 39.8 Ų | 39.8 | 14% | 0.136 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -56.9 | -47.5 | -167.9 | -72.7 | 179.2 | 0 | 0 | 0 | 113.8 | Y1591 M1600 M1623 | Y1591-L1596 HydrophobicContact CD1-CD1 4.04Å; Y1591-L1596 HydrophobicContact CE1-CD1 3.49Å; Y1591-L1596 VanDerWaalsContact CE1-CD1 3.49Å; Y1591-L1596 HydrophobicContact CE1-CG 4.14Å; Y1591-L1596 HydrophobicContact CE2-CD1 4.49Å; Y1591-L1596 HydrophobicContact CE2-CG 4.27Å; Y1591-L1596 WeakPolarHBondContact O-CG 3.36Å; Y1591-L1596 PolarHBondContact O-N 3.37Å; L1596-M1600 WeakPolarHBondContact O-CB 3.36Å; L1596-M1600 WeakPolarHBondContact O-CG 3.45Å; L1596-M1600 PolarHBondContact O-N 3.39Å; L1596-M1623 HydrophobicContact CD2-CE 4.24Å; L1596-M1623 HydrophobicContact CD2-SD 4.21Å |
| 1597 | I | 92.1 | Very high | 87.8 | Confident | 75 Ų | 75 | 43.2 Ų | 43.2 | 39% | 0.385 | 23% | 0.225 | S | C | . | . | I | π-helix | trans | -67.1 | -41.8 | -179.8 | -73.2 | 171.7 | 0 | 0 | 0 | 111.3 | I1592 L1593 Y1595 I1601 | I1592-I1597 HydrophobicContact CG2-CD1 4.13Å; I1592-I1597 WeakPolarHBondContact O-CB 3.17Å; I1592-I1597 VanDerWaalsContact O-CG1 3.29Å; I1592-I1597 WeakPolarHBondContact O-CG1 3.42Å; I1592-I1597 PolarHBondContact O-N 3.18Å; L1593-I1597 HydrophobicContact CD1-CD1 4.18Å; L1593-I1597 HydrophobicContact CD1-CG2 4.5Å; Y1595-I1597 PolarHBondContact O-N 3.38Å; I1597-I1601 HydrophobicContact CG2-CD1 3.81Å; I1597-I1601 WeakPolarHBondContact O-CB 3.27Å; I1597-I1601 VanDerWaalsContact O-CG1 3.27Å; I1597-I1601 WeakPolarHBondContact O-CG1 3.44Å; I1597-I1601 PolarHBondContact O-N 2.88Å |
| 1598 | F | 89.4 | Confident | 86.1 | Confident | 70 Ų | 70 | 45.3 Ų | 45.3 | 31% | 0.307 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.8 | -49.8 | 176 | 178.9 | -92.4 | 0 | 0 | 0 | 111.6 | L1474 L1478 M1483 S1594 Y1595 M1600 I1601 Y1602 | L1474-F1598 HydrophobicContact CD2-CE1 4.13Å; L1474-F1598 HydrophobicContact CD2-CZ 3.93Å; L1474-F1598 HydrophobicContact CG-CE1 4.36Å; L1474-F1598 HydrophobicContact CG-CZ 4.32Å; L1478-F1598 HydrophobicContact CD1-CD1 4.42Å; L1478-F1598 HydrophobicContact CD1-CE1 3.5Å; L1478-F1598 VanDerWaalsContact CD1-CE1 3.5Å; L1478-F1598 HydrophobicContact CD1-CE2 4.11Å; L1478-F1598 HydrophobicContact CD1-CZ 3.31Å; M1483-F1598 HydrophobicContact CE-CD1 3.72Å; M1483-F1598 HydrophobicContact CE-CE1 4.25Å; M1483-F1598 HydrophobicContact CE-CG 4.28Å; S1594-F1598 WeakPolarHBondContact O-CB 3.02Å; Y1595-F1598 PolarHBondContact O-N 3.03Å; Y1595-F1598 VanDerWaalsContact O-N 3.16Å; F1598-M1600 VanDerWaalsContact C-N 3.35Å; F1598-M1600 PolarHBondContact O-N 3.14Å; F1598-I1601 WeakPolarHBondContact O-CB 3.32Å; F1598-I1601 PolarHBondContact O-N 3.17Å; F1598-I1601 VanDerWaalsContact O-N 3.12Å; F1598-Y1602 WeakPolarHBondContact O-CB 3.39Å; F1598-Y1602 PolarHBondContact O-N 3.48Å |
| 1599 | T | 89 | Confident | 84.5 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.4 | -36.8 | -178.7 | -54.4 | 0 | 0 | 0 | 0 | 111 | L1558 Y1595 I1601 Y1602 H1603 I1619 | L1558-T1599 HydrophobicContact CD1-CG2 3.99Å; Y1595-T1599 WeakPolarHBondContact O-CB 2.92Å; Y1595-T1599 PolarHBondContact O-N 2.89Å; Y1595-T1599 PolarHBondContact O-OG1 2.91Å; Y1595-T1599 VanDerWaalsContact O-OG1 3.11Å; T1599-I1601 PolarHBondContact O-N 3.34Å; T1599-Y1602 PolarHBondContact O-N 3.36Å; T1599-H1603 WeakPolarHBondContact CG2-CD2 3.46Å; T1599-H1603 VanDerWaalsContact CG2-NE2 3.28Å; T1599-H1603 WeakPolarHBondContact CG2-NE2 3.24Å; T1599-H1603 WeakPolarHBondContact O-CB 3.29Å; T1599-H1603 PolarHBondContact O-CD2 3.34Å; T1599-H1603 PolarHBondContact O-N 3.38Å; T1599-I1619 HydrophobicContact CG2-CD1 3.63Å |
| 1600 | M | 89.5 | Confident | 82.9 | Confident | 59 Ų | 59 | 41.4 Ų | 41.4 | 29% | 0.291 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.3 | -43.9 | 169.5 | -81 | -168 | 173.3 | 0 | 0 | 112.8 | L1596 F1598 A1604 I1619 F1620 M1623 | L1596-M1600 WeakPolarHBondContact O-CB 3.36Å; L1596-M1600 WeakPolarHBondContact O-CG 3.45Å; L1596-M1600 PolarHBondContact O-N 3.39Å; F1598-M1600 VanDerWaalsContact C-N 3.35Å; F1598-M1600 PolarHBondContact O-N 3.14Å; M1600-A1604 WeakPolarHBondContact O-CB 3.46Å; M1600-A1604 PolarHBondContact O-N 3.2Å; M1600-I1619 HydrophobicContact CG-CD1 4.03Å; M1600-I1619 HydrophobicContact CG-CG1 4.45Å; M1600-I1619 HydrophobicContact CG-CG2 4.32Å; M1600-F1620 HydrophobicContact CB-CE1 4.27Å; M1600-F1620 HydrophobicContact CB-CZ 3.83Å; M1600-F1620 HydrophobicContact CE-CD1 4.37Å; M1600-F1620 HydrophobicContact CE-CE1 4.11Å; M1600-F1620 HydrophobicContact CG-CE1 3.85Å; M1600-F1620 HydrophobicContact CG-CZ 3.87Å; M1600-F1620 HydrophobicContact SD-CE1 3.82Å; M1600-F1620 HydrophobicContact SD-CZ 4.34Å; M1600-M1623 HydrophobicContact CE-CE 3.74Å; M1600-M1623 HydrophobicContact CE-SD 3.55Å; M1600-M1623 VanDerWaalsContact CE-SD 3.55Å |
| 1601 | I | 87.8 | Confident | 81 | Confident | 84 Ų | 84 | 46.2 Ų | 46.2 | 43% | 0.431 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.9 | -45.9 | 177.8 | -74.9 | 168.3 | 0 | 0 | 0 | 110.9 | I1597 F1598 T1599 A1604 F1605 | I1597-I1601 HydrophobicContact CG2-CD1 3.81Å; I1597-I1601 WeakPolarHBondContact O-CB 3.27Å; I1597-I1601 VanDerWaalsContact O-CG1 3.27Å; I1597-I1601 WeakPolarHBondContact O-CG1 3.44Å; I1597-I1601 PolarHBondContact O-N 2.88Å; F1598-I1601 WeakPolarHBondContact O-CB 3.32Å; F1598-I1601 PolarHBondContact O-N 3.17Å; F1598-I1601 VanDerWaalsContact O-N 3.12Å; T1599-I1601 PolarHBondContact O-N 3.34Å; I1601-A1604 PolarHBondContact O-N 3.48Å; I1601-F1605 HydrophobicContact CG2-CD2 3.88Å; I1601-F1605 HydrophobicContact CG2-CE2 3.96Å; I1601-F1605 WeakPolarHBondContact O-CD2 3.4Å; I1601-F1605 PolarHBondContact O-N 3.36Å |
| 1602 | Y | 85.2 | Confident | 79.1 | Confident | 14 Ų | 14 | 50.8 Ų | 50.8 | 6% | 0.055 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.2 | -54.7 | 178.7 | 176.6 | -128.4 | 0 | 0 | 0 | 111.5 | L1474 F1598 T1599 A1604 F1605 A1606 P1615 | L1474-Y1602 HydrophobicContact CB-CE1 4.3Å; L1474-Y1602 HydrophobicContact CD2-CD1 4.21Å; L1474-Y1602 HydrophobicContact CD2-CD2 3.69Å; L1474-Y1602 HydrophobicContact CD2-CE1 4.07Å; L1474-Y1602 HydrophobicContact CD2-CE2 3.54Å; L1474-Y1602 HydrophobicContact CD2-CG 4.06Å; F1598-Y1602 WeakPolarHBondContact O-CB 3.39Å; F1598-Y1602 PolarHBondContact O-N 3.48Å; T1599-Y1602 PolarHBondContact O-N 3.36Å; Y1602-A1604 PolarHBondContact O-N 2.99Å; Y1602-F1605 PolarHBondContact O-N 2.92Å; Y1602-A1606 HydrophobicContact CD2-CB 3.49Å; Y1602-A1606 VanDerWaalsContact CD2-CB 3.49Å; Y1602-A1606 HydrophobicContact CE2-CB 3.39Å; Y1602-A1606 HydrophobicContact CG-CB 4.43Å; Y1602-A1606 WeakPolarHBondContact O-CB 3.44Å; Y1602-A1606 PolarHBondContact O-N 2.94Å; Y1602-P1615 HydrophobicContact CD1-CG 4.4Å; Y1602-P1615 HydrophobicContact CE1-CG 3.65Å |
| 1603 | H | 86.2 | Confident | 77.7 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.019 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.7 | -17 | 179.8 | -71.3 | -120.1 | 0 | 0 | 0 | 113.6 | T1599 P1615 R1617 I1619 | T1599-H1603 WeakPolarHBondContact CG2-CD2 3.46Å; T1599-H1603 VanDerWaalsContact CG2-NE2 3.28Å; T1599-H1603 WeakPolarHBondContact CG2-NE2 3.24Å; T1599-H1603 WeakPolarHBondContact O-CB 3.29Å; T1599-H1603 PolarHBondContact O-CD2 3.34Å; T1599-H1603 PolarHBondContact O-N 3.38Å; H1603-P1615 PolarHBondContact ND1-O 3.05Å; H1603-R1617 PolarHBondContact O-N 3.37Å; H1603-I1619 HydrophobicContact CB-CG2 3.56Å |
| 1604 | A | 85.1 | Confident | 76.5 | Confident | 33 Ų | 33 | 46.8 Ų | 46.8 | 27% | 0.273 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -80.3 | -32.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | M1600 I1601 Y1602 F1620 | M1600-A1604 WeakPolarHBondContact O-CB 3.46Å; M1600-A1604 PolarHBondContact O-N 3.2Å; I1601-A1604 PolarHBondContact O-N 3.48Å; Y1602-A1604 PolarHBondContact O-N 2.99Å; A1604-F1620 HydrophobicContact CB-CE2 4.16Å; A1604-F1620 HydrophobicContact CB-CZ 4.41Å |
| 1605 | F | 78.3 | Confident | 75.7 | Confident | 28 Ų | 28 | 45.7 Ų | 45.7 | 12% | 0.123 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -118.5 | -22.3 | -167.7 | -57.5 | -41.6 | 0 | 0 | 0 | 115.8 | I645 F646 I1601 Y1602 V1607 | I645-F1605 HydrophobicContact CD1-CB 4.04Å; I645-F1605 HydrophobicContact CD1-CD1 3.58Å; I645-F1605 HydrophobicContact CD1-CE1 4.43Å; I645-F1605 HydrophobicContact CD1-CG 4.12Å; I645-F1605 HydrophobicContact CG1-CD1 3.95Å; I645-F1605 HydrophobicContact CG1-CE1 4.38Å; F646-F1605 HydrophobicContact CB-CB 3.95Å; F646-F1605 HydrophobicContact CB-CD2 4.27Å; F646-F1605 HydrophobicContact CB-CG 4.46Å; I1601-F1605 HydrophobicContact CG2-CD2 3.88Å; I1601-F1605 HydrophobicContact CG2-CE2 3.96Å; I1601-F1605 WeakPolarHBondContact O-CD2 3.4Å; I1601-F1605 PolarHBondContact O-N 3.36Å; Y1602-F1605 PolarHBondContact O-N 2.92Å; F1605-V1607 PolarHBondContact O-N 3.14Å |
| 1606 | A | 66.5 | Low | 75.2 | Confident | 7 Ų | 7 | 50.9 Ų | 50.9 | 6% | 0.058 | 28% | 0.284 | C | S | . | . | trans | -74.4 | 34.1 | -166.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | Y1602 T1608 | Y1602-A1606 HydrophobicContact CD2-CB 3.49Å; Y1602-A1606 VanDerWaalsContact CD2-CB 3.49Å; Y1602-A1606 HydrophobicContact CE2-CB 3.39Å; Y1602-A1606 HydrophobicContact CG-CB 4.43Å; Y1602-A1606 WeakPolarHBondContact O-CB 3.44Å; Y1602-A1606 PolarHBondContact O-N 2.94Å; A1606-T1608 VanDerWaalsContact C-N 3.33Å; A1606-T1608 PolarHBondContact O-N 2.94Å | ||
| 1607 | V | 56.3 | Low | 74.9 | Confident | 76 Ų | 76 | 56.9 Ų | 56.9 | 46% | 0.461 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -71.7 | -19.4 | -170.6 | -177.2 | 0 | 0 | 0 | 0 | 114.1 | F1605 Y1616 | F1605-V1607 PolarHBondContact O-N 3.14Å; V1607-Y1616 HydrophobicContact CG2-CD2 3.41Å; V1607-Y1616 VanDerWaalsContact CG2-CD2 3.41Å; V1607-Y1616 HydrophobicContact CG2-CE2 3.71Å; V1607-Y1616 HydrophobicContact CG2-CG 4.05Å |
| 1608 | T | 58.5 | Low | 74.7 | Confident | 65 Ų | 65 | 54.3 Ų | 54.3 | 40% | 0.399 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -141.8 | 6.4 | -171.2 | 66.6 | 0 | 0 | 0 | 0 | 116.4 | S647 N648 A1606 | S647-T1608 WeakPolarHBondContact CB-OG1 3.27Å; N648-T1608 WeakPolarHBondContact OD1-CB 3.27Å; N648-T1608 WeakPolarHBondContact OD1-CG2 3.39Å; N648-T1608 PolarHBondContact OD1-OG1 3.16Å; A1606-T1608 VanDerWaalsContact C-N 3.33Å; A1606-T1608 PolarHBondContact O-N 2.94Å |
| 1609 | V | 60.2 | Low | 74.7 | Confident | 66 Ų | 66 | 51.1 Ų | 51.1 | 40% | 0.4 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -101.6 | -34.7 | -167.8 | -175.4 | 0 | 0 | 0 | 0 | 114.1 | F646 | F646-V1609 HydrophobicContact CD1-CG2 4.07Å; F646-V1609 HydrophobicContact CE1-CB 4.03Å; F646-V1609 HydrophobicContact CE1-CG1 3.97Å; F646-V1609 HydrophobicContact CE1-CG2 4.07Å |
| 1610 | V | 61.9 | Low | 74.8 | Confident | 26 Ų | 26 | 55 Ų | 55 | 16% | 0.158 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -127.4 | 91.5 | -174.7 | -176.9 | 0 | 0 | 0 | 0 | 109.9 | I85 E1613 | I85-V1610 HydrophobicContact CD1-CB 4.37Å; I85-V1610 HydrophobicContact CD1-CG1 3.6Å; I85-V1610 HydrophobicContact CD1-CG2 3.79Å; V1610-E1613 VanDerWaalsContact O-O 3.13Å |
| 1611 | P | 57.3 | Low | 74.7 | Confident | 102 Ų | 102 | 60.7 Ų | 60.7 | 66% | 0.662 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -73.6 | 152 | 163.1 | 32.2 | -32.9 | 0 | 0 | 0 | 110.2 | ||
| 1612 | P | 55.4 | Low | 74.8 | Confident | 120 Ų | 120 | 57.4 Ų | 57.4 | 78% | 0.779 | 30% | 0.297 | S | S | * | . | S | Bend | cis | -88 | -10.7 | 1.3 | 33.9 | -32.9 | 0 | 0 | 0 | 114.5 | ||
| 1613 | E | 64.1 | Low | 75.1 | Confident | 41 Ų | 41 | 58.6 Ų | 58.6 | 19% | 0.192 | 30% | 0.304 | C | S | . | . | trans | -94.8 | 109.6 | -167.7 | -59.4 | -178.8 | 171.8 | 0 | 0 | 113 | D1472 Q1473 W1554 V1610 P1615 | D1472-E1613 WeakPolarHBondContact CA-OE2 2.47Å; Q1473-E1613 PolarHBondContact N-OE2 3.21Å; W1554-E1613 HydrophobicContact CH2-CB 4.34Å; W1554-E1613 VanDerWaalsContact CH2-CD 3.45Å; W1554-E1613 HydrophobicContact CH2-CG 3.69Å; W1554-E1613 WeakPolarHBondContact CH2-OE1 3.45Å; W1554-E1613 HydrophobicContact CZ2-CB 4.41Å; W1554-E1613 HydrophobicContact CZ2-CG 3.98Å; V1610-E1613 VanDerWaalsContact O-O 3.13Å; E1613-P1615 WeakPolarHBondContact O-CD 3.48Å | ||
| 1614 | C | 66.5 | Low | 75.3 | Confident | 57 Ų | 57 | 65.2 Ų | 65.2 | 39% | 0.385 | 34% | 0.339 | S | S | . | . | trans | -116.6 | 85.7 | 176.7 | 177 | 0 | 0 | 0 | 0 | 111.7 | Y1616 | C1614-Y1616 PolarHBondContact O-N 3.1Š| ||
| 1615 | P | 74.6 | Confident | 75.5 | Confident | 4 Ų | 4 | 66.6 Ų | 66.6 | 3% | 0.026 | 34% | 0.342 | C | S | . | . | trans | -79.5 | 49 | -176.4 | 34.1 | -37.3 | 0 | 0 | 0 | 113.3 | Y1602 H1603 E1613 R1617 I1618 | Y1602-P1615 HydrophobicContact CD1-CG 4.4Å; Y1602-P1615 HydrophobicContact CE1-CG 3.65Å; H1603-P1615 PolarHBondContact ND1-O 3.05Å; E1613-P1615 WeakPolarHBondContact O-CD 3.48Å; P1615-R1617 PolarHBondContact O-N 3.36Å; P1615-I1618 HydrophobicContact CB-CD1 3.97Å | ||
| 1616 | Y | 82.9 | Confident | 76.1 | Confident | 111 Ų | 111 | 70.6 Ų | 70.6 | 44% | 0.435 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 128.1 | -174.4 | -178.5 | -119.4 | 0 | 0 | 0 | 113.1 | V1607 C1614 I1618 | V1607-Y1616 HydrophobicContact CG2-CD2 3.41Å; V1607-Y1616 VanDerWaalsContact CG2-CD2 3.41Å; V1607-Y1616 HydrophobicContact CG2-CE2 3.71Å; V1607-Y1616 HydrophobicContact CG2-CG 4.05Å; C1614-Y1616 PolarHBondContact O-N 3.1Å; Y1616-I1618 PolarHBondContact O-N 3.44Å |
| 1617 | R | 86 | Confident | 77.2 | Confident | 152 Ų | 152 | 74.7 Ų | 74.7 | 57% | 0.574 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | -4.1 | 175.7 | -80.9 | -176.7 | 167.4 | -169.8 | -3.9 | 118.9 | H1603 P1615 I1619 F1620 R1621 | H1603-R1617 PolarHBondContact O-N 3.37Å; P1615-R1617 PolarHBondContact O-N 3.36Å; R1617-I1619 VanDerWaalsContact C-N 3.32Å; R1617-I1619 PolarHBondContact O-N 2.84Å; R1617-F1620 HydrophobicContact CG-CD2 4.36Å; R1617-F1620 PolarHBondContact O-N 2.98Å; R1617-R1621 PolarHBondContact O-N 3Å |
| 1618 | I | 88.2 | Confident | 78.9 | Confident | 22 Ų | 22 | 71.3 Ų | 71.3 | 11% | 0.113 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -47.7 | -47.4 | -176.7 | -81.1 | 141.8 | 0 | 0 | 0 | 113.4 | W1554 E1555 L1558 P1615 Y1616 F1620 R1621 V1622 | W1554-I1618 HydrophobicContact CB-CD1 3.58Å; W1554-I1618 HydrophobicContact CB-CG1 4.45Å; W1554-I1618 HydrophobicContact CG-CD1 4.15Å; E1555-I1618 HydrophobicContact CG-CG1 4.2Å; E1555-I1618 HydrophobicContact CG-CG2 3.94Å; L1558-I1618 HydrophobicContact CB-CG2 4.42Å; L1558-I1618 HydrophobicContact CD2-CG2 3.92Å; P1615-I1618 HydrophobicContact CB-CD1 3.97Å; Y1616-I1618 PolarHBondContact O-N 3.44Å; I1618-F1620 VanDerWaalsContact C-N 3.3Å; I1618-F1620 PolarHBondContact O-N 3.48Å; I1618-R1621 PolarHBondContact O-N 2.94Å; I1618-R1621 VanDerWaalsContact O-N 3.08Å; I1618-V1622 HydrophobicContact CG2-CG2 4.1Å; I1618-V1622 WeakPolarHBondContact O-CG2 3.38Å; I1618-V1622 PolarHBondContact O-N 2.6Å |
| 1619 | I | 90.1 | Very high | 80.6 | Confident | 2 Ų | 2 | 73.1 Ų | 73.1 | 1% | 0.01 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57.5 | -37.1 | 177.9 | -173.1 | 163.5 | 0 | 0 | 0 | 114.2 | L1558 T1599 M1600 H1603 R1617 R1621 M1623 | L1558-I1619 VanDerWaalsContact CD2-CA 3.46Å; L1558-I1619 HydrophobicContact CD2-CB 3.69Å; L1558-I1619 HydrophobicContact CD2-CG1 4.03Å; T1599-I1619 HydrophobicContact CG2-CD1 3.63Å; M1600-I1619 HydrophobicContact CG-CD1 4.03Å; M1600-I1619 HydrophobicContact CG-CG1 4.45Å; M1600-I1619 HydrophobicContact CG-CG2 4.32Å; H1603-I1619 HydrophobicContact CB-CG2 3.56Å; R1617-I1619 VanDerWaalsContact C-N 3.32Å; R1617-I1619 PolarHBondContact O-N 2.84Å; I1619-R1621 VanDerWaalsContact C-N 3.33Å; I1619-R1621 PolarHBondContact O-N 2.91Å; I1619-M1623 HydrophobicContact CD1-SD 3.88Å; I1619-M1623 HydrophobicContact CG1-CG 4Å; I1619-M1623 HydrophobicContact CG1-SD 3.47Å; I1619-M1623 WeakPolarHBondContact CG1-SD 3.49Å; I1619-M1623 VanDerWaalsContact O-CB 3.32Å; I1619-M1623 WeakPolarHBondContact O-CB 3.37Å; I1619-M1623 WeakPolarHBondContact O-CG 3.19Å; I1619-M1623 PolarHBondContact O-N 3.46Å |
| 1620 | F | 90.1 | Very high | 82.2 | Confident | 83 Ų | 83 | 75.2 Ų | 75.2 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -75.1 | -21.8 | 179.5 | -59 | -79.9 | 0 | 0 | 0 | 113.1 | M1600 A1604 R1617 I1618 N1624 | M1600-F1620 HydrophobicContact CB-CE1 4.27Å; M1600-F1620 HydrophobicContact CB-CZ 3.83Å; M1600-F1620 HydrophobicContact CE-CD1 4.37Å; M1600-F1620 HydrophobicContact CE-CE1 4.11Å; M1600-F1620 HydrophobicContact CG-CE1 3.85Å; M1600-F1620 HydrophobicContact CG-CZ 3.87Å; M1600-F1620 HydrophobicContact SD-CE1 3.82Å; M1600-F1620 HydrophobicContact SD-CZ 4.34Å; A1604-F1620 HydrophobicContact CB-CE2 4.16Å; A1604-F1620 HydrophobicContact CB-CZ 4.41Å; R1617-F1620 HydrophobicContact CG-CD2 4.36Å; R1617-F1620 PolarHBondContact O-N 2.98Å; I1618-F1620 VanDerWaalsContact C-N 3.3Å; I1618-F1620 PolarHBondContact O-N 3.48Å; F1620-N1624 PolarHBondContact O-ND2 3.46Å |
| 1621 | R | 88.5 | Confident | 83.7 | Confident | 177 Ų | 177 | 74.5 Ų | 74.5 | 67% | 0.668 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -78.8 | -53.6 | 168.7 | 174.8 | -172.9 | -86 | 175.8 | -6.3 | 110 | E1555 R1617 I1618 I1619 M1623 N1624 | E1555-R1621 WeakPolarHBondContact OE1-CD 3.2Å; E1555-R1621 IonicContact OE1-CZ 2.95Å; E1555-R1621 IonicContact OE1-NE 3.75Å; E1555-R1621 IonicContact OE1-NH1 2.75Å; E1555-R1621 PolarHBondContact OE1-NH1 2.65Å; R1617-R1621 PolarHBondContact O-N 3Å; I1618-R1621 PolarHBondContact O-N 2.94Å; I1618-R1621 VanDerWaalsContact O-N 3.08Å; I1619-R1621 VanDerWaalsContact C-N 3.33Å; I1619-R1621 PolarHBondContact O-N 2.91Å; R1621-M1623 PolarHBondContact O-N 3.06Å; R1621-N1624 WeakPolarHBondContact O-CB 3.32Å; R1621-N1624 PolarHBondContact O-N 3.18Å; R1621-N1624 VanDerWaalsContact O-N 3.1Å |
| 1622 | V | 89.9 | Confident | 85.5 | Confident | 15 Ų | 15 | 69.9 Ų | 69.9 | 9% | 0.091 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.1 | -40.5 | -172.3 | 171.6 | 0 | 0 | 0 | 0 | 112 | E1555 L1558 I1618 N1624 D1625 F1628 | E1555-V1622 HydrophobicContact CB-CG2 3.76Å; E1555-V1622 HydrophobicContact CG-CG2 3.82Å; L1558-V1622 HydrophobicContact CD2-CB 4.19Å; L1558-V1622 HydrophobicContact CD2-CG1 4.31Å; L1558-V1622 HydrophobicContact CD2-CG2 4.45Å; I1618-V1622 HydrophobicContact CG2-CG2 4.1Å; I1618-V1622 WeakPolarHBondContact O-CG2 3.38Å; I1618-V1622 PolarHBondContact O-N 2.6Å; V1622-N1624 PolarHBondContact O-N 2.81Å; V1622-D1625 PolarHBondContact O-N 3.35Å; V1622-D1625 VanDerWaalsContact O-N 3.15Å; V1622-F1628 HydrophobicContact CG1-CB 4.26Å; V1622-F1628 HydrophobicContact CG1-CD1 4.43Å; V1622-F1628 HydrophobicContact CG1-CD2 3.13Å; V1622-F1628 HydrophobicContact CG1-CE2 3.38Å; V1622-F1628 HydrophobicContact CG1-CG 3.72Å; V1622-F1628 HydrophobicContact CG1-CZ 4.15Å |
| 1623 | M | 89.9 | Confident | 87.4 | Confident | 40 Ų | 40 | 69.2 Ų | 69.2 | 20% | 0.197 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -13.5 | 176.9 | -71.6 | 178.5 | 69 | 0 | 0 | 114.7 | L1596 M1600 I1619 R1621 F1628 W1629 | L1596-M1623 HydrophobicContact CD2-CE 4.24Å; L1596-M1623 HydrophobicContact CD2-SD 4.21Å; M1600-M1623 HydrophobicContact CE-CE 3.74Å; M1600-M1623 HydrophobicContact CE-SD 3.55Å; M1600-M1623 VanDerWaalsContact CE-SD 3.55Å; I1619-M1623 HydrophobicContact CD1-SD 3.88Å; I1619-M1623 HydrophobicContact CG1-CG 4Å; I1619-M1623 HydrophobicContact CG1-SD 3.47Å; I1619-M1623 WeakPolarHBondContact CG1-SD 3.49Å; I1619-M1623 VanDerWaalsContact O-CB 3.32Å; I1619-M1623 WeakPolarHBondContact O-CB 3.37Å; I1619-M1623 WeakPolarHBondContact O-CG 3.19Å; I1619-M1623 PolarHBondContact O-N 3.46Å; R1621-M1623 PolarHBondContact O-N 3.06Å; M1623-F1628 HydrophobicContact CG-CE1 4.23Å; M1623-W1629 HydrophobicContact CB-CZ2 4.16Å; M1623-W1629 HydrophobicContact CE-CH2 3.99Å; M1623-W1629 HydrophobicContact CE-CZ2 3.71Å; M1623-W1629 HydrophobicContact CG-CZ2 4.02Å; M1623-W1629 PolarHBondContact O-NE1 2.75Å |
| 1624 | N | 90.5 | Very high | 88.9 | Confident | 142 Ų | 142 | 70 Ų | 70 | 76% | 0.759 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -12.5 | 173 | -81.6 | -23.3 | 0 | 0 | 0 | 112.8 | F1620 R1621 V1622 | F1620-N1624 PolarHBondContact O-ND2 3.46Å; R1621-N1624 WeakPolarHBondContact O-CB 3.32Å; R1621-N1624 PolarHBondContact O-N 3.18Å; R1621-N1624 VanDerWaalsContact O-N 3.1Å; V1622-N1624 PolarHBondContact O-N 2.81Å |
| 1625 | D | 90.5 | Very high | 90.3 | Very high | 63 Ų | 63 | 67.2 Ų | 67.2 | 34% | 0.337 | 32% | 0.316 | S | S | . | . | trans | -81.4 | 132.8 | 176.5 | -172.8 | 3.9 | 0 | 0 | 0 | 111 | V1622 K1627 F1628 W1629 | V1622-D1625 PolarHBondContact O-N 3.35Å; V1622-D1625 VanDerWaalsContact O-N 3.15Å; D1625-K1627 PolarHBondContact OD1-N 2.99Å; D1625-K1627 WeakPolarHBondContact OD2-CB 3.44Å; D1625-F1628 HydrophobicContact CB-CB 4.35Å; D1625-W1629 VanDerWaalsContact O-CD1 3.31Å | ||
| 1626 | V | 90.5 | Very high | 91.3 | Very high | 112 Ų | 112 | 67.8 Ų | 67.8 | 68% | 0.679 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -72.9 | -30.1 | 174.9 | -176.1 | 0 | 0 | 0 | 0 | 110.9 | F1628 W1629 L1630 | V1626-F1628 VanDerWaalsContact C-N 3.32Å; V1626-F1628 PolarHBondContact O-N 3.2Å; V1626-W1629 PolarHBondContact O-N 3.15Å; V1626-L1630 PolarHBondContact O-N 3.02Å; V1626-L1630 VanDerWaalsContact O-N 3.13Å |
| 1627 | K | 90 | Very high | 92 | Very high | 93 Ų | 93 | 67.1 Ų | 67.1 | 40% | 0.404 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.8 | -46.5 | 175.2 | -59.9 | -175 | -179.2 | -172.9 | 0 | 110.5 | Y1546 D1549 D1625 W1629 L1630 L1631 | Y1546-K1627 HydrophobicContact CE1-CD 4.47Å; D1549-K1627 IonicContact OD1-NZ 2.68Å; D1549-K1627 PolarHBondContact OD1-NZ 2.91Å; D1549-K1627 IonicContact OD2-NZ 3.18Å; D1549-K1627 PolarHBondContact OD2-NZ 3.08Å; D1625-K1627 PolarHBondContact OD1-N 2.99Å; D1625-K1627 WeakPolarHBondContact OD2-CB 3.44Å; K1627-W1629 PolarHBondContact O-N 3.25Å; K1627-L1630 PolarHBondContact O-N 3.39Å; K1627-L1631 WeakPolarHBondContact O-CB 3.41Å; K1627-L1631 PolarHBondContact O-N 2.94Å |
| 1628 | F | 91.6 | Very high | 92.5 | Very high | 4 Ų | 4 | 63.5 Ų | 63.5 | 2% | 0.018 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -54 | -48.7 | -179.6 | 168.5 | -95 | 0 | 0 | 0 | 112.7 | F1559 N1562 V1622 M1623 D1625 V1626 T1632 | F1559-F1628 HydrophobicContact CB-CD2 4.23Å; F1559-F1628 HydrophobicContact CB-CE2 4.36Å; F1559-F1628 AromaticContact CD2-CD2 3.72Å; F1559-F1628 HydrophobicContact CD2-CD2 3.72Å; F1559-F1628 HydrophobicContact CD2-CE2 4.19Å; F1559-F1628 HydrophobicContact CG-CD2 4.49Å; N1562-F1628 HydrophobicContact CB-CE2 4.12Å; N1562-F1628 HydrophobicContact CB-CZ 3.88Å; N1562-F1628 VanDerWaalsContact ND2-CZ 3.28Å; N1562-F1628 WeakPolarHBondContact ND2-CZ 3.41Å; V1622-F1628 HydrophobicContact CG1-CB 4.26Å; V1622-F1628 HydrophobicContact CG1-CD1 4.43Å; V1622-F1628 HydrophobicContact CG1-CD2 3.13Å; V1622-F1628 HydrophobicContact CG1-CE2 3.38Å; V1622-F1628 HydrophobicContact CG1-CG 3.72Å; V1622-F1628 HydrophobicContact CG1-CZ 4.15Å; M1623-F1628 HydrophobicContact CG-CE1 4.23Å; D1625-F1628 HydrophobicContact CB-CB 4.35Å; V1626-F1628 VanDerWaalsContact C-N 3.32Å; V1626-F1628 PolarHBondContact O-N 3.2Å; F1628-T1632 VanDerWaalsContact O-CB 3.26Å; F1628-T1632 WeakPolarHBondContact O-CB 3.45Å; F1628-T1632 PolarHBondContact O-N 3.17Å; F1628-T1632 PolarHBondContact O-OG1 2.94Å |
| 1629 | W | 93.9 | Very high | 92.8 | Very high | 103 Ų | 103 | 62.4 Ų | 62.4 | 39% | 0.39 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -71.8 | -41.9 | -178.3 | -67.5 | 108.1 | 0 | 0 | 0 | 112.9 | M1623 D1625 V1626 K1627 T1632 L1633 | M1623-W1629 HydrophobicContact CB-CZ2 4.16Å; M1623-W1629 HydrophobicContact CE-CH2 3.99Å; M1623-W1629 HydrophobicContact CE-CZ2 3.71Å; M1623-W1629 HydrophobicContact CG-CZ2 4.02Å; M1623-W1629 PolarHBondContact O-NE1 2.75Å; D1625-W1629 VanDerWaalsContact O-CD1 3.31Å; V1626-W1629 PolarHBondContact O-N 3.15Å; K1627-W1629 PolarHBondContact O-N 3.25Å; W1629-T1632 PolarHBondContact O-N 3.06Å; W1629-L1633 PolarHBondContact O-N 3.46Å; W1629-L1633 VanDerWaalsContact O-N 3.09Å |
| 1630 | L | 94.4 | Very high | 93.1 | Very high | 111 Ų | 111 | 63 Ų | 63 | 58% | 0.581 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -66.3 | -45.7 | 178.8 | -172.4 | 152.2 | 0 | 0 | 0 | 110.9 | V1626 K1627 T1632 L1633 V1634 | V1626-L1630 PolarHBondContact O-N 3.02Å; V1626-L1630 VanDerWaalsContact O-N 3.13Å; K1627-L1630 PolarHBondContact O-N 3.39Å; L1630-T1632 PolarHBondContact O-N 3.48Å; L1630-L1633 PolarHBondContact O-N 3.17Å; L1630-V1634 HydrophobicContact CD2-CG2 4.16Å; L1630-V1634 WeakPolarHBondContact O-CG2 3.16Å; L1630-V1634 PolarHBondContact O-N 2.83Å |
| 1631 | L | 93.9 | Very high | 93.3 | Very high | 11 Ų | 11 | 63 Ų | 63 | 6% | 0.058 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 176.5 | -172.9 | 62.4 | 0 | 0 | 0 | 111 | L1541 T1545 Y1546 F1559 K1627 L1633 V1634 T1635 | L1541-L1631 HydrophobicContact CD2-CD1 4.5Å; L1541-L1631 HydrophobicContact CG-CD1 4.03Å; T1545-L1631 HydrophobicContact CG2-CD1 4.01Å; T1545-L1631 HydrophobicContact CG2-CD2 3.93Å; T1545-L1631 VanDerWaalsContact OG1-CD1 3.29Å; T1545-L1631 WeakPolarHBondContact OG1-CD1 3.47Å; Y1546-L1631 HydrophobicContact CD2-CD2 4.25Å; Y1546-L1631 HydrophobicContact CE2-CD2 3.62Å; F1559-L1631 HydrophobicContact CD2-CD2 4.22Å; F1559-L1631 HydrophobicContact CE1-CD2 4.08Å; F1559-L1631 HydrophobicContact CE1-CG 4.31Å; F1559-L1631 HydrophobicContact CE2-CB 3.8Å; F1559-L1631 HydrophobicContact CE2-CD2 3.7Å; F1559-L1631 HydrophobicContact CE2-CG 3.68Å; F1559-L1631 HydrophobicContact CZ-CB 4.11Å; F1559-L1631 HydrophobicContact CZ-CD2 3.66Å; F1559-L1631 HydrophobicContact CZ-CG 3.51Å; K1627-L1631 WeakPolarHBondContact O-CB 3.41Å; K1627-L1631 PolarHBondContact O-N 2.94Å; L1631-L1633 VanDerWaalsContact C-N 3.31Å; L1631-L1633 PolarHBondContact O-N 3.5Å; L1631-V1634 PolarHBondContact O-N 3.12Å; L1631-T1635 WeakPolarHBondContact O-CB 3.4Å; L1631-T1635 PolarHBondContact O-N 2.86Å; L1631-T1635 PolarHBondContact O-OG1 2.92Å |
| 1632 | T | 94.6 | Very high | 93.5 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 3% | 0.025 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -54.6 | -47.2 | 175.1 | -66.2 | 0 | 0 | 0 | 0 | 111.1 | F1559 N1562 L1566 F1628 W1629 L1630 T1635 I1636 | F1559-T1632 WeakPolarHBondContact CE2-OG1 3.43Å; N1562-T1632 WeakPolarHBondContact ND2-CG2 3.26Å; N1562-T1632 PolarHBondContact ND2-OG1 3.46Å; L1566-T1632 HydrophobicContact CD1-CG2 3.59Å; F1628-T1632 VanDerWaalsContact O-CB 3.26Å; F1628-T1632 WeakPolarHBondContact O-CB 3.45Å; F1628-T1632 PolarHBondContact O-N 3.17Å; F1628-T1632 PolarHBondContact O-OG1 2.94Å; W1629-T1632 PolarHBondContact O-N 3.06Å; L1630-T1632 PolarHBondContact O-N 3.48Å; T1632-T1635 PolarHBondContact O-N 3.29Å; T1632-I1636 HydrophobicContact CG2-CD1 3.83Å; T1632-I1636 WeakPolarHBondContact O-CD1 3.46Å; T1632-I1636 VanDerWaalsContact O-CG1 3.27Å; T1632-I1636 WeakPolarHBondContact O-CG1 3.37Å; T1632-I1636 PolarHBondContact O-N 3.46Å; T1632-I1636 VanDerWaalsContact O-N 3.14Å |
| 1633 | L | 95.2 | Very high | 93.6 | Very high | 107 Ų | 107 | 57.3 Ų | 57.3 | 56% | 0.56 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -62.6 | -45.9 | 179.7 | -178.5 | 66.3 | 0 | 0 | 0 | 112.1 | W1629 L1630 L1631 I1636 I1637 | W1629-L1633 PolarHBondContact O-N 3.46Å; W1629-L1633 VanDerWaalsContact O-N 3.09Å; L1630-L1633 PolarHBondContact O-N 3.17Å; L1631-L1633 VanDerWaalsContact C-N 3.31Å; L1631-L1633 PolarHBondContact O-N 3.5Å; L1633-I1636 PolarHBondContact O-N 3.33Å; L1633-I1637 HydrophobicContact CD1-CD1 4.29Å; L1633-I1637 HydrophobicContact CG-CD1 4.13Å; L1633-I1637 WeakPolarHBondContact O-CG1 3.37Å; L1633-I1637 PolarHBondContact O-N 2.99Å |
| 1634 | V | 96 | Very high | 93.7 | Very high | 56 Ų | 56 | 59 Ų | 59 | 34% | 0.339 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 179.5 | 178 | 0 | 0 | 0 | 0 | 111.1 | L1541 L1630 L1631 I1636 I1637 L1638 | L1541-V1634 HydrophobicContact CD2-CG1 4.15Å; L1630-V1634 HydrophobicContact CD2-CG2 4.16Å; L1630-V1634 WeakPolarHBondContact O-CG2 3.16Å; L1630-V1634 PolarHBondContact O-N 2.83Å; L1631-V1634 PolarHBondContact O-N 3.12Å; V1634-I1636 PolarHBondContact O-N 2.6Å; V1634-I1637 PolarHBondContact O-N 2.91Å; V1634-L1638 HydrophobicContact CG1-CD1 3.79Å; V1634-L1638 HydrophobicContact CG1-CG 4.32Å; V1634-L1638 WeakPolarHBondContact O-CG 3.28Å; V1634-L1638 PolarHBondContact O-N 3.45Å |
| 1635 | T | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.3 | -48.4 | 175.8 | -58.2 | 0 | 0 | 0 | 0 | 111.9 | I1537 V1538 A1563 L1631 T1632 I1637 L1638 A1639 | I1537-T1635 HydrophobicContact CG2-CG2 4.43Å; V1538-T1635 HydrophobicContact CB-CG2 4.17Å; V1538-T1635 HydrophobicContact CG2-CG2 3.63Å; A1563-T1635 HydrophobicContact CB-CG2 4.22Å; L1631-T1635 WeakPolarHBondContact O-CB 3.4Å; L1631-T1635 PolarHBondContact O-N 2.86Å; L1631-T1635 PolarHBondContact O-OG1 2.92Å; T1632-T1635 PolarHBondContact O-N 3.29Å; T1635-I1637 VanDerWaalsContact C-N 3.33Å; T1635-I1637 PolarHBondContact O-N 3.48Å; T1635-L1638 PolarHBondContact O-N 2.86Å; T1635-A1639 WeakPolarHBondContact O-CB 3.47Å; T1635-A1639 PolarHBondContact O-N 2.88Å |
| 1636 | I | 95.9 | Very high | 93.8 | Very high | 16 Ų | 16 | 56.4 Ų | 56.4 | 8% | 0.082 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 179.9 | -66.6 | 159.6 | 0 | 0 | 0 | 111 | L1566 F1570 T1632 L1633 V1634 L1640 | L1566-I1636 HydrophobicContact CB-CD1 3.58Å; L1566-I1636 HydrophobicContact CB-CG1 4.2Å; L1566-I1636 HydrophobicContact CD1-CD1 4Å; L1566-I1636 HydrophobicContact CG-CD1 4.39Å; F1570-I1636 HydrophobicContact CB-CG2 4.43Å; F1570-I1636 HydrophobicContact CD2-CD1 4.27Å; F1570-I1636 HydrophobicContact CD2-CG2 3.76Å; F1570-I1636 HydrophobicContact CE2-CD1 4.23Å; F1570-I1636 HydrophobicContact CE2-CG2 4.39Å; F1570-I1636 HydrophobicContact CG-CG2 4.33Å; T1632-I1636 HydrophobicContact CG2-CD1 3.83Å; T1632-I1636 WeakPolarHBondContact O-CD1 3.46Å; T1632-I1636 VanDerWaalsContact O-CG1 3.27Å; T1632-I1636 WeakPolarHBondContact O-CG1 3.37Å; T1632-I1636 PolarHBondContact O-N 3.46Å; T1632-I1636 VanDerWaalsContact O-N 3.14Å; L1633-I1636 PolarHBondContact O-N 3.33Å; V1634-I1636 PolarHBondContact O-N 2.6Å; I1636-L1640 HydrophobicContact CG2-CD1 3.76Å; I1636-L1640 WeakPolarHBondContact O-CB 3.49Å; I1636-L1640 VanDerWaalsContact O-CG 3.32Å; I1636-L1640 WeakPolarHBondContact O-CG 3.41Å; I1636-L1640 PolarHBondContact O-N 3.41Å; I1636-L1640 VanDerWaalsContact O-N 3.16Å |
| 1637 | I | 96 | Very high | 93.7 | Very high | 97 Ų | 97 | 53 Ų | 53 | 50% | 0.497 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.4 | -48.8 | -179.8 | -67.4 | 166.4 | 0 | 0 | 0 | 110.9 | L1633 V1634 T1635 L1641 | L1633-I1637 HydrophobicContact CD1-CD1 4.29Å; L1633-I1637 HydrophobicContact CG-CD1 4.13Å; L1633-I1637 WeakPolarHBondContact O-CG1 3.37Å; L1633-I1637 PolarHBondContact O-N 2.99Å; V1634-I1637 PolarHBondContact O-N 2.91Å; T1635-I1637 VanDerWaalsContact C-N 3.33Å; T1635-I1637 PolarHBondContact O-N 3.48Å; I1637-L1641 WeakPolarHBondContact O-CB 3.15Å; I1637-L1641 PolarHBondContact O-N 3.47Å; I1637-L1641 VanDerWaalsContact O-N 3.14Å |
| 1638 | L | 96.2 | Very high | 93.6 | Very high | 75 Ų | 75 | 52.1 Ų | 52.1 | 39% | 0.393 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -71.2 | -36.1 | -177.1 | -68.6 | 176.4 | 0 | 0 | 0 | 113.1 | I1537 L1541 V1634 T1635 | I1537-L1638 HydrophobicContact CG2-CB 4.01Å; L1541-L1638 HydrophobicContact CD2-CD1 3.95Å; V1634-L1638 HydrophobicContact CG1-CD1 3.79Å; V1634-L1638 HydrophobicContact CG1-CG 4.32Å; V1634-L1638 WeakPolarHBondContact O-CG 3.28Å; V1634-L1638 PolarHBondContact O-N 3.45Å; T1635-L1638 PolarHBondContact O-N 2.86Å |
| 1639 | A | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.1 | -45.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | W1533 Q1534 I1537 C1567 T1635 P1642 | W1533-A1639 PolarHBondContact NE1-O 2.79Å; Q1534-A1639 HydrophobicContact CB-CB 4.25Å; Q1534-A1639 HydrophobicContact CG-CB 4Å; Q1534-A1639 WeakPolarHBondContact CG-O 3.48Å; I1537-A1639 HydrophobicContact CB-CB 4.31Å; I1537-A1639 HydrophobicContact CG2-CB 4.04Å; C1567-A1639 WeakPolarHBondContact SG-CB 3.37Å; T1635-A1639 WeakPolarHBondContact O-CB 3.47Å; T1635-A1639 PolarHBondContact O-N 2.88Å; A1639-P1642 WeakPolarHBondContact O-CD 3.36Å |
| 1640 | L | 95.5 | Very high | 93.2 | Very high | 14 Ų | 14 | 56.1 Ų | 56.1 | 7% | 0.073 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -82.2 | -15.7 | -176 | -61.7 | 174.4 | 0 | 0 | 0 | 114.3 | F1570 H1571 I1574 I1636 R1643 L1644 | F1570-L1640 HydrophobicContact CB-CD1 3.59Å; H1571-L1640 HydrophobicContact CB-CD2 3.74Å; I1574-L1640 HydrophobicContact CD1-CB 4.25Å; I1574-L1640 HydrophobicContact CD1-CD1 3.97Å; I1574-L1640 HydrophobicContact CD1-CG 4.49Å; I1636-L1640 HydrophobicContact CG2-CD1 3.76Å; I1636-L1640 WeakPolarHBondContact O-CB 3.49Å; I1636-L1640 VanDerWaalsContact O-CG 3.32Å; I1636-L1640 WeakPolarHBondContact O-CG 3.41Å; I1636-L1640 PolarHBondContact O-N 3.41Å; I1636-L1640 VanDerWaalsContact O-N 3.16Å; L1640-R1643 PolarHBondContact O-N 3Å; L1640-L1644 PolarHBondContact O-N 2.85Å |
| 1641 | L | 94.3 | Very high | 92.7 | Very high | 82 Ų | 82 | 54.1 Ų | 54.1 | 43% | 0.429 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -52.4 | -49.2 | -175.9 | -169.4 | 86.6 | 0 | 0 | 0 | 113.5 | I1637 R1643 L1644 L1645 | I1637-L1641 WeakPolarHBondContact O-CB 3.15Å; I1637-L1641 PolarHBondContact O-N 3.47Å; I1637-L1641 VanDerWaalsContact O-N 3.14Å; L1641-R1643 PolarHBondContact O-N 3.04Å; L1641-L1644 PolarHBondContact O-N 2.95Å; L1641-L1645 HydrophobicContact CD2-CD1 4.25Å; L1641-L1645 HydrophobicContact CG-CD1 4.02Å; L1641-L1645 WeakPolarHBondContact O-CG 3.43Å; L1641-L1645 PolarHBondContact O-N 3.32Å |
| 1642 | P | 94 | Very high | 92.2 | Very high | 40 Ų | 40 | 57.3 Ų | 57.3 | 26% | 0.26 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -69 | -37.1 | -176.2 | -21.4 | 36.8 | 0 | 0 | 0 | 112.5 | W1533 A1639 L1645 I1646 | W1533-P1642 HydrophobicContact CD2-CG 4.4Å; W1533-P1642 HydrophobicContact CZ2-CG 4.07Å; A1639-P1642 WeakPolarHBondContact O-CD 3.36Å; P1642-L1645 PolarHBondContact O-N 3.47Å; P1642-I1646 WeakPolarHBondContact O-CB 3.32Å; P1642-I1646 WeakPolarHBondContact O-CD1 3.38Å; P1642-I1646 WeakPolarHBondContact O-CG1 3.47Å; P1642-I1646 PolarHBondContact O-N 2.98Å |
| 1643 | R | 91.4 | Very high | 91.8 | Very high | 34 Ų | 34 | 63.4 Ų | 63.4 | 13% | 0.128 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 176.1 | -177.9 | 55.2 | 157.2 | -126.4 | 2.9 | 111.3 | N1527 D1530 L1640 L1641 I1646 I1647 | N1527-R1643 PolarHBondContact OD1-NH1 3.05Å; N1527-R1643 PolarHBondContact OD1-NH2 3.35Å; D1530-R1643 WeakPolarHBondContact OD2-CD 3.31Å; D1530-R1643 WeakPolarHBondContact OD2-CG 3.49Å; D1530-R1643 IonicContact OD2-CZ 2.62Å; D1530-R1643 VanDerWaalsContact OD2-CZ 3.3Å; D1530-R1643 IonicContact OD2-NE 3.89Å; D1530-R1643 PolarHBondContact OD2-NE 3.45Å; D1530-R1643 IonicContact OD2-NH1 2.67Å; D1530-R1643 PolarHBondContact OD2-NH1 2.88Å; L1640-R1643 PolarHBondContact O-N 3Å; L1641-R1643 PolarHBondContact O-N 3.04Å; R1643-I1646 PolarHBondContact O-N 3.16Å; R1643-I1647 HydrophobicContact CG-CD1 3.94Å; R1643-I1647 WeakPolarHBondContact O-CB 3.43Å; R1643-I1647 VanDerWaalsContact O-CG1 3.26Å; R1643-I1647 WeakPolarHBondContact O-CG1 3.3Å; R1643-I1647 PolarHBondContact O-N 3.39Å |
| 1644 | L | 91.8 | Very high | 91.1 | Very high | 76 Ų | 76 | 65.4 Ų | 65.4 | 40% | 0.398 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.2 | -47.5 | 174 | -172.9 | 71.7 | 0 | 0 | 0 | 111.2 | I1574 L1640 L1641 I1647 I1648 | I1574-L1644 HydrophobicContact CG2-CD1 4.46Å; L1640-L1644 PolarHBondContact O-N 2.85Å; L1641-L1644 PolarHBondContact O-N 2.95Å; L1644-I1647 PolarHBondContact O-N 3.48Å; L1644-I1648 HydrophobicContact CG-CD1 4.04Å; L1644-I1648 VanDerWaalsContact O-CG1 3.31Å; L1644-I1648 WeakPolarHBondContact O-CG1 3.28Å; L1644-I1648 PolarHBondContact O-N 3.39Å |
| 1645 | L | 92.3 | Very high | 90.4 | Very high | 69 Ų | 69 | 64.9 Ų | 64.9 | 36% | 0.361 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 177 | -71.4 | 170.6 | 0 | 0 | 0 | 112.2 | L1641 P1642 I1647 I1648 I1649 | L1641-L1645 HydrophobicContact CD2-CD1 4.25Å; L1641-L1645 HydrophobicContact CG-CD1 4.02Å; L1641-L1645 WeakPolarHBondContact O-CG 3.43Å; L1641-L1645 PolarHBondContact O-N 3.32Å; P1642-L1645 PolarHBondContact O-N 3.47Å; L1645-I1647 VanDerWaalsContact C-N 3.33Å; L1645-I1647 PolarHBondContact O-N 2.77Å; L1645-I1648 PolarHBondContact O-N 3.03Å; L1645-I1649 WeakPolarHBondContact O-CB 3.32Å; L1645-I1649 VanDerWaalsContact O-CG1 3.23Å; L1645-I1649 WeakPolarHBondContact O-CG1 3.46Å; L1645-I1649 PolarHBondContact O-N 2.82Å |
| 1646 | I | 90 | Very high | 89.6 | Confident | 80 Ų | 80 | 67.1 Ų | 67.1 | 41% | 0.41 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.5 | -40.8 | 176.6 | -71.7 | 164.4 | 0 | 0 | 0 | 111 | M1526 P1642 R1643 K1650 | M1526-I1646 HydrophobicContact CE-CG2 4.39Å; P1642-I1646 WeakPolarHBondContact O-CB 3.32Å; P1642-I1646 WeakPolarHBondContact O-CD1 3.38Å; P1642-I1646 WeakPolarHBondContact O-CG1 3.47Å; P1642-I1646 PolarHBondContact O-N 2.98Å; R1643-I1646 PolarHBondContact O-N 3.16Å; I1646-K1650 WeakPolarHBondContact O-CB 3.49Å; I1646-K1650 PolarHBondContact O-N 3.42Å |
| 1647 | I | 88.1 | Confident | 88.8 | Confident | 41 Ų | 41 | 68 Ų | 68 | 21% | 0.21 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 176.5 | -71.2 | 166.7 | 0 | 0 | 0 | 111 | I1574 R1643 L1644 L1645 N1651 | I1574-I1647 HydrophobicContact CG2-CD1 3.68Å; R1643-I1647 HydrophobicContact CG-CD1 3.94Å; R1643-I1647 WeakPolarHBondContact O-CB 3.43Å; R1643-I1647 VanDerWaalsContact O-CG1 3.26Å; R1643-I1647 WeakPolarHBondContact O-CG1 3.3Å; R1643-I1647 PolarHBondContact O-N 3.39Å; L1644-I1647 PolarHBondContact O-N 3.48Å; L1645-I1647 VanDerWaalsContact C-N 3.33Å; L1645-I1647 PolarHBondContact O-N 2.77Å; I1647-N1651 VanDerWaalsContact O-CB 3.27Å; I1647-N1651 WeakPolarHBondContact O-CB 3.46Å; I1647-N1651 PolarHBondContact O-N 2.92Å; I1647-N1651 PolarHBondContact O-ND2 3.09Å |
| 1648 | I | 89.5 | Confident | 88.1 | Confident | 74 Ų | 74 | 63.8 Ų | 63.8 | 38% | 0.379 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.2 | -50.1 | 176.4 | -68.8 | 164.8 | 0 | 0 | 0 | 110.7 | L1644 L1645 K1650 N1651 T1652 | L1644-I1648 HydrophobicContact CG-CD1 4.04Å; L1644-I1648 VanDerWaalsContact O-CG1 3.31Å; L1644-I1648 WeakPolarHBondContact O-CG1 3.28Å; L1644-I1648 PolarHBondContact O-N 3.39Å; L1645-I1648 PolarHBondContact O-N 3.03Å; I1648-K1650 PolarHBondContact O-N 3.5Å; I1648-N1651 PolarHBondContact O-N 2.82Å; I1648-T1652 VanDerWaalsContact O-CB 3.32Å; I1648-T1652 WeakPolarHBondContact O-CB 3.4Å; I1648-T1652 PolarHBondContact O-N 3.03Å; I1648-T1652 PolarHBondContact O-OG1 3.28Å |
| 1649 | I | 89.8 | Confident | 87.5 | Confident | 90 Ų | 90 | 62.2 Ų | 62.2 | 46% | 0.462 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.5 | -48 | 178.7 | -70.3 | 166.5 | 0 | 0 | 0 | 110.3 | L1645 T1652 F1653 | L1645-I1649 WeakPolarHBondContact O-CB 3.32Å; L1645-I1649 VanDerWaalsContact O-CG1 3.23Å; L1645-I1649 WeakPolarHBondContact O-CG1 3.46Å; L1645-I1649 PolarHBondContact O-N 2.82Å; I1649-T1652 PolarHBondContact O-N 3.26Å; I1649-F1653 HydrophobicContact CG2-CD2 3.94Å; I1649-F1653 HydrophobicContact CG2-CE2 4.47Å; I1649-F1653 WeakPolarHBondContact O-CD2 3.45Å; I1649-F1653 PolarHBondContact O-N 3.5Å |
| 1650 | K | 85.7 | Confident | 87 | Confident | 101 Ų | 101 | 62.9 Ų | 62.9 | 44% | 0.439 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.7 | -50.3 | 177 | -175.2 | -179 | 177.4 | -175 | 0 | 111.3 | I1646 I1648 T1652 Y1654 P1655 | I1646-K1650 WeakPolarHBondContact O-CB 3.49Å; I1646-K1650 PolarHBondContact O-N 3.42Å; I1648-K1650 PolarHBondContact O-N 3.5Å; K1650-T1652 PolarHBondContact O-N 3.42Å; K1650-Y1654 CarbonylContact O-C 3.49Å; K1650-Y1654 WeakPolarHBondContact O-CA 3.37Å; K1650-Y1654 PolarHBondContact O-N 3.45Å; K1650-Y1654 VanDerWaalsContact O-O 3.14Å; K1650-P1655 VanDerWaalsContact O-N 3.17Å |
| 1651 | N | 84.2 | Confident | 86.5 | Confident | 69 Ų | 69 | 62.2 Ų | 62.2 | 37% | 0.369 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.4 | -21.2 | -178 | -68.7 | -13.6 | 0 | 0 | 0 | 113.5 | I1647 I1648 | I1647-N1651 VanDerWaalsContact O-CB 3.27Å; I1647-N1651 WeakPolarHBondContact O-CB 3.46Å; I1647-N1651 PolarHBondContact O-N 2.92Å; I1647-N1651 PolarHBondContact O-ND2 3.09Å; I1648-N1651 PolarHBondContact O-N 2.82Å |
| 1652 | T | 84.3 | Confident | 86 | Confident | 78 Ų | 78 | 59.8 Ų | 59.8 | 48% | 0.479 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -87.5 | -45.5 | 177.8 | -54.4 | 0 | 0 | 0 | 0 | 112.4 | I1648 I1649 K1650 | I1648-T1652 VanDerWaalsContact O-CB 3.32Å; I1648-T1652 WeakPolarHBondContact O-CB 3.4Å; I1648-T1652 PolarHBondContact O-N 3.03Å; I1648-T1652 PolarHBondContact O-OG1 3.28Å; I1649-T1652 PolarHBondContact O-N 3.26Å; K1650-T1652 PolarHBondContact O-N 3.42Å |
| 1653 | F | 85.8 | Confident | 85.6 | Confident | 133 Ų | 133 | 62.6 Ų | 62.6 | 58% | 0.583 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -101.7 | -29.7 | -172 | -63.7 | -74.2 | 0 | 0 | 0 | 114.4 | I1649 | I1649-F1653 HydrophobicContact CG2-CD2 3.94Å; I1649-F1653 HydrophobicContact CG2-CE2 4.47Å; I1649-F1653 WeakPolarHBondContact O-CD2 3.45Å; I1649-F1653 PolarHBondContact O-N 3.5Å |
| 1654 | Y | 81.5 | Confident | 85.3 | Confident | 148 Ų | 148 | 61.8 Ų | 61.8 | 58% | 0.58 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -140.7 | 57.4 | -176.4 | -58.8 | -76.2 | 0 | 0 | 0 | 111.6 | K1650 | K1650-Y1654 CarbonylContact O-C 3.49Å; K1650-Y1654 WeakPolarHBondContact O-CA 3.37Å; K1650-Y1654 PolarHBondContact O-N 3.45Å; K1650-Y1654 VanDerWaalsContact O-O 3.14Å |
| 1655 | P | 79.5 | Confident | 85 | Confident | 45 Ų | 45 | 58.4 Ų | 58.4 | 29% | 0.292 | 29% | 0.294 | S | S | . | . | trans | -63.6 | 141.9 | -178.2 | 27.9 | -35.4 | 0 | 0 | 0 | 111.2 | K1650 T1659 I1660 | K1650-P1655 VanDerWaalsContact O-N 3.17Å; P1655-T1659 HydrophobicContact CB-CG2 4.46Å; P1655-I1660 HydrophobicContact CB-CD1 4.5Å; P1655-I1660 HydrophobicContact CB-CG1 3.95Å; P1655-I1660 HydrophobicContact CG-CD1 4.13Å; P1655-I1660 HydrophobicContact CG-CG1 3.87Å | ||
| 1656 | N | 79.1 | Confident | 84.7 | Confident | 47 Ų | 47 | 62.2 Ų | 62.2 | 25% | 0.251 | 31% | 0.308 | S | S | . | . | trans | -73.6 | 156.7 | 175.7 | -174.3 | 27.3 | 0 | 0 | 0 | 110.7 | D1658 T1659 I1660 | N1656-D1658 VanDerWaalsContact C-N 3.26Å; N1656-D1658 PolarHBondContact ND2-OD2 2.93Å; N1656-D1658 PolarHBondContact O-N 3.21Å; N1656-T1659 CarbonylContact O-C 3.54Å; N1656-T1659 WeakPolarHBondContact O-CA 3.49Å; N1656-T1659 VanDerWaalsContact O-CB 3.23Å; N1656-T1659 WeakPolarHBondContact O-CB 3.19Å; N1656-T1659 PolarHBondContact O-N 2.81Å; N1656-I1660 PolarHBondContact O-N 3.06Å | ||
| 1657 | M | 80.9 | Confident | 84.5 | Confident | 35 Ų | 35 | 66.8 Ų | 66.8 | 17% | 0.172 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -55.1 | -41.8 | -178.3 | -71.8 | -60.2 | -64.6 | 0 | 0 | 112.4 | L1509 T1659 I1660 G1661 L1676 L1680 | L1509-M1657 HydrophobicContact CD2-CB 4.41Å; M1657-T1659 VanDerWaalsContact C-N 3.29Å; M1657-T1659 PolarHBondContact O-N 3.19Å; M1657-I1660 PolarHBondContact O-N 3.48Å; M1657-I1660 HydrophobicContact SD-CD1 4.27Å; M1657-G1661 PolarHBondContact O-N 2.82Å; M1657-L1676 HydrophobicContact CE-CD2 4.15Å; M1657-L1680 HydrophobicContact CE-CD2 3.66Å; M1657-L1680 HydrophobicContact CE-CG 4.2Å; M1657-L1680 HydrophobicContact SD-CD2 4.17Å |
| 1658 | D | 80 | Confident | 84.4 | Confident | 9 Ų | 9 | 68.2 Ų | 68.2 | 5% | 0.048 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -70.1 | -29.4 | 179.9 | -31.9 | -73.7 | 0 | 0 | 0 | 111 | H1432 P1497 L1498 S1512 N1656 N1662 | H1432-D1658 IonicContact CE1-OD1 2.69Å; H1432-D1658 PolarHBondContact CE1-OD1 3.44Å; H1432-D1658 IonicContact NE2-OD1 3.44Å; P1497-D1658 HydrophobicContact CB-CB 4.42Å; L1498-D1658 HydrophobicContact CD1-CB 4.33Å; S1512-D1658 PolarHBondContact OG-OD1 2.84Å; N1656-D1658 VanDerWaalsContact C-N 3.26Å; N1656-D1658 PolarHBondContact ND2-OD2 2.93Å; N1656-D1658 PolarHBondContact O-N 3.21Å; D1658-N1662 VanDerWaalsContact O-CB 3.3Å; D1658-N1662 WeakPolarHBondContact O-CB 3.29Å; D1658-N1662 PolarHBondContact O-N 3.01Å |
| 1659 | T | 83.8 | Confident | 84 | Confident | 41 Ų | 41 | 66 Ų | 66 | 25% | 0.252 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70 | -44.5 | 171.7 | -45.4 | 0 | 0 | 0 | 0 | 111.6 | P1655 N1656 M1657 N1662 L1663 | P1655-T1659 HydrophobicContact CB-CG2 4.46Å; N1656-T1659 CarbonylContact O-C 3.54Å; N1656-T1659 WeakPolarHBondContact O-CA 3.49Å; N1656-T1659 VanDerWaalsContact O-CB 3.23Å; N1656-T1659 WeakPolarHBondContact O-CB 3.19Å; N1656-T1659 PolarHBondContact O-N 2.81Å; M1657-T1659 VanDerWaalsContact C-N 3.29Å; M1657-T1659 PolarHBondContact O-N 3.19Å; T1659-N1662 PolarHBondContact O-N 3.19Å; T1659-L1663 HydrophobicContact CG2-CD1 4.46Å; T1659-L1663 WeakPolarHBondContact O-CG 3.34Å; T1659-L1663 PolarHBondContact O-N 3.42Å |
| 1660 | I | 85.6 | Confident | 83.8 | Confident | 15 Ų | 15 | 70.8 Ų | 70.8 | 8% | 0.077 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.6 | -47.8 | 173.8 | -64.2 | 161.4 | 0 | 0 | 0 | 109.5 | P1655 N1656 M1657 N1662 L1663 L1664 L1676 Y1679 | P1655-I1660 HydrophobicContact CB-CD1 4.5Å; P1655-I1660 HydrophobicContact CB-CG1 3.95Å; P1655-I1660 HydrophobicContact CG-CD1 4.13Å; P1655-I1660 HydrophobicContact CG-CG1 3.87Å; N1656-I1660 PolarHBondContact O-N 3.06Å; M1657-I1660 PolarHBondContact O-N 3.48Å; M1657-I1660 HydrophobicContact SD-CD1 4.27Å; I1660-N1662 VanDerWaalsContact C-N 3.34Å; I1660-N1662 PolarHBondContact O-N 2.87Å; I1660-L1663 PolarHBondContact O-N 3.16Å; I1660-L1664 HydrophobicContact CG2-CD1 3.74Å; I1660-L1664 HydrophobicContact CG2-CG 4.17Å; I1660-L1664 WeakPolarHBondContact O-CB 3.31Å; I1660-L1664 WeakPolarHBondContact O-CG 3.41Å; I1660-L1664 PolarHBondContact O-N 3.21Å; I1660-L1676 HydrophobicContact CG2-CD2 4.21Å; I1660-Y1679 HydrophobicContact CD1-CD1 4.13Å; I1660-Y1679 HydrophobicContact CD1-CG 4.34Å; I1660-Y1679 HydrophobicContact CG2-CD1 4.12Å; I1660-Y1679 HydrophobicContact CG2-CD2 3.99Å; I1660-Y1679 HydrophobicContact CG2-CE1 4.31Å; I1660-Y1679 HydrophobicContact CG2-CE2 4.18Å; I1660-Y1679 HydrophobicContact CG2-CG 3.95Å |
| 1661 | G | 84.5 | Confident | 83.6 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -56 | -45.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | M1657 L1664 A1665 | M1657-G1661 PolarHBondContact O-N 2.82Å; G1661-L1664 PolarHBondContact O-N 3.32Å; G1661-A1665 VanDerWaalsContact O-CB 3.22Å; G1661-A1665 WeakPolarHBondContact O-CB 3.48Å; G1661-A1665 PolarHBondContact O-N 2.88Å |
| 1662 | N | 84.6 | Confident | 83.7 | Confident | 31 Ų | 31 | 69.8 Ų | 69.8 | 17% | 0.166 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.2 | -38.3 | 179.6 | -168.8 | -56.9 | 0 | 0 | 0 | 112 | P1497 L1498 D1658 T1659 I1660 K1666 | P1497-N1662 PolarHBondContact O-ND2 2.91Å; L1498-N1662 HydrophobicContact CD2-CB 4.03Å; D1658-N1662 VanDerWaalsContact O-CB 3.3Å; D1658-N1662 WeakPolarHBondContact O-CB 3.29Å; D1658-N1662 PolarHBondContact O-N 3.01Å; T1659-N1662 PolarHBondContact O-N 3.19Å; I1660-N1662 VanDerWaalsContact C-N 3.34Å; I1660-N1662 PolarHBondContact O-N 2.87Å; N1662-K1666 WeakPolarHBondContact O-CB 3.25Å; N1662-K1666 WeakPolarHBondContact O-CD 3.49Å; N1662-K1666 VanDerWaalsContact O-CG 3.3Å; N1662-K1666 WeakPolarHBondContact O-CG 3.45Å; N1662-K1666 PolarHBondContact O-N 3.19Å; N1662-K1666 WeakPolarHBondContact OD1-CE 3.01Å; N1662-K1666 PolarHBondContact OD1-NZ 2.95Å |
| 1663 | L | 84.9 | Confident | 83.7 | Confident | 98 Ų | 98 | 71.7 Ų | 71.7 | 51% | 0.513 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67 | -43.6 | 173.5 | -70.8 | 170.4 | 0 | 0 | 0 | 112.4 | T1659 I1660 K1666 R1667 | T1659-L1663 HydrophobicContact CG2-CD1 4.46Å; T1659-L1663 WeakPolarHBondContact O-CG 3.34Å; T1659-L1663 PolarHBondContact O-N 3.42Å; I1660-L1663 PolarHBondContact O-N 3.16Å; L1663-K1666 PolarHBondContact O-N 2.72Å; L1663-R1667 PolarHBondContact O-N 2.86Å; L1663-R1667 VanDerWaalsContact O-N 3.14Å |
| 1664 | L | 85.9 | Confident | 83.7 | Confident | 17 Ų | 17 | 65.4 Ų | 65.4 | 9% | 0.089 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.7 | -40.9 | 177.1 | -69.9 | 176.9 | 0 | 0 | 0 | 111.5 | I1660 G1661 K1666 R1667 L1668 L1674 L1676 Y1679 | I1660-L1664 HydrophobicContact CG2-CD1 3.74Å; I1660-L1664 HydrophobicContact CG2-CG 4.17Å; I1660-L1664 WeakPolarHBondContact O-CB 3.31Å; I1660-L1664 WeakPolarHBondContact O-CG 3.41Å; I1660-L1664 PolarHBondContact O-N 3.21Å; G1661-L1664 PolarHBondContact O-N 3.32Å; L1664-K1666 VanDerWaalsContact C-N 3.33Å; L1664-K1666 PolarHBondContact O-N 3.35Å; L1664-R1667 PolarHBondContact O-N 3.18Å; L1664-L1668 WeakPolarHBondContact O-CB 3.16Å; L1664-L1668 PolarHBondContact O-N 2.77Å; L1664-L1674 HydrophobicContact CB-CB 4.31Å; L1664-L1674 HydrophobicContact CB-CD1 4.04Å; L1664-L1674 HydrophobicContact CB-CD2 4.01Å; L1664-L1674 HydrophobicContact CB-CG 4.33Å; L1664-L1674 HydrophobicContact CD1-CB 4.21Å; L1664-L1676 HydrophobicContact CD1-CD2 4.05Å; L1664-Y1679 HydrophobicContact CD1-CD2 4.39Å; L1664-Y1679 HydrophobicContact CD1-CE2 3.96Å; L1664-Y1679 HydrophobicContact CD2-CE2 4.47Å |
| 1665 | A | 86 | Confident | 83.7 | Confident | 5 Ų | 5 | 61.3 Ų | 61.3 | 4% | 0.041 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.8 | -35.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | T1502 G1661 R1667 G1669 R1670 L1674 | T1502-A1665 HydrophobicContact CG2-CB 3.97Å; G1661-A1665 VanDerWaalsContact O-CB 3.22Å; G1661-A1665 WeakPolarHBondContact O-CB 3.48Å; G1661-A1665 PolarHBondContact O-N 2.88Å; A1665-R1667 VanDerWaalsContact C-N 3.31Å; A1665-R1667 PolarHBondContact O-N 3.25Å; A1665-G1669 CarbonylContact O-C 3.57Å; A1665-G1669 WeakPolarHBondContact O-CA 3.39Å; A1665-G1669 PolarHBondContact O-N 3.11Å; A1665-R1670 PolarHBondContact O-N 2.89Å; A1665-L1674 HydrophobicContact CB-CD1 4.45Å |
| 1666 | K | 85 | Confident | 83.7 | Confident | 150 Ų | 150 | 59.2 Ų | 59.2 | 65% | 0.652 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -65.2 | -30.9 | 170.1 | -78.7 | 165.1 | 174.8 | 155.2 | 0 | 113 | N1662 L1663 L1664 | N1662-K1666 WeakPolarHBondContact O-CB 3.25Å; N1662-K1666 WeakPolarHBondContact O-CD 3.49Å; N1662-K1666 VanDerWaalsContact O-CG 3.3Å; N1662-K1666 WeakPolarHBondContact O-CG 3.45Å; N1662-K1666 PolarHBondContact O-N 3.19Å; N1662-K1666 WeakPolarHBondContact OD1-CE 3.01Å; N1662-K1666 PolarHBondContact OD1-NZ 2.95Å; L1663-K1666 PolarHBondContact O-N 2.72Å; L1664-K1666 VanDerWaalsContact C-N 3.33Å; L1664-K1666 PolarHBondContact O-N 3.35Å |
| 1667 | R | 85.7 | Confident | 83.4 | Confident | 175 Ų | 175 | 60.8 Ų | 60.8 | 66% | 0.66 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -90.7 | -38.7 | -175.7 | -165.4 | 177.2 | -169.3 | -176.5 | 3.6 | 114.1 | L1663 L1664 A1665 | L1663-R1667 PolarHBondContact O-N 2.86Å; L1663-R1667 VanDerWaalsContact O-N 3.14Å; L1664-R1667 PolarHBondContact O-N 3.18Å; A1665-R1667 VanDerWaalsContact C-N 3.31Å; A1665-R1667 PolarHBondContact O-N 3.25Å |
| 1668 | L | 85.7 | Confident | 82.7 | Confident | 72 Ų | 72 | 65.4 Ų | 65.4 | 38% | 0.377 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -97.7 | -23 | -176 | -61.4 | 174.3 | 0 | 0 | 0 | 112.6 | L1664 K1672 L1674 P1675 | L1664-L1668 WeakPolarHBondContact O-CB 3.16Å; L1664-L1668 PolarHBondContact O-N 2.77Å; L1668-K1672 WeakPolarHBondContact O-CD 3.22Å; L1668-K1672 WeakPolarHBondContact O-CE 3.35Å; L1668-K1672 PolarHBondContact O-NZ 2.88Å; L1668-L1674 HydrophobicContact CB-CD2 4.34Å; L1668-L1674 HydrophobicContact CD1-CD2 3.94Å; L1668-P1675 VanDerWaalsContact CD1-CD 3.47Å; L1668-P1675 HydrophobicContact CD1-CG 4.24Å |
| 1669 | G | 82.3 | Confident | 82 | Confident | 27 Ų | 27 | 69.6 Ų | 69.6 | 28% | 0.278 | 34% | 0.335 | S | S | . | . | trans | 110.5 | 141.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1665 | A1665-G1669 CarbonylContact O-C 3.57Å; A1665-G1669 WeakPolarHBondContact O-CA 3.39Å; A1665-G1669 PolarHBondContact O-N 3.11Å | ||
| 1670 | R | 84.6 | Confident | 80.9 | Confident | 191 Ų | 191 | 70 Ų | 70 | 72% | 0.721 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 149.1 | 175.3 | -67.3 | -176.9 | 179.1 | 154.6 | -0.4 | 111.6 | D1499 A1665 K1672 | D1499-R1670 WeakPolarHBondContact OD1-CG 3.43Å; A1665-R1670 PolarHBondContact O-N 2.89Å; R1670-K1672 VanDerWaalsContact C-N 3.32Å; R1670-K1672 PolarHBondContact O-N 3.23Å |
| 1671 | G | 82.2 | Confident | 79.1 | Confident | 31 Ų | 31 | 73.6 Ų | 73.6 | 32% | 0.32 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 23.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | T1502 | T1502-G1671 PolarHBondContact OG1-N 3.28Š|
| 1672 | K | 85.4 | Confident | 77.2 | Confident | 118 Ų | 118 | 81.3 Ų | 81.3 | 51% | 0.513 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -113.2 | 154 | 172.3 | -65.1 | -174.2 | -174.9 | 172.9 | 0 | 110.8 | N1506 L1668 R1670 | N1506-K1672 PolarHBondContact ND2-O 3.47Å; L1668-K1672 WeakPolarHBondContact O-CD 3.22Å; L1668-K1672 WeakPolarHBondContact O-CE 3.35Å; L1668-K1672 PolarHBondContact O-NZ 2.88Å; R1670-K1672 VanDerWaalsContact C-N 3.32Å; R1670-K1672 PolarHBondContact O-N 3.23Å |
| 1673 | H | 84.1 | Confident | 75 | Confident | 117 Ų | 117 | 83.1 Ų | 83.1 | 54% | 0.542 | 40% | 0.402 | S | S | . | . | trans | -63.3 | 133.8 | 164.2 | -156.2 | -48 | 0 | 0 | 0 | 109.4 | ||||
| 1674 | L | 85.8 | Confident | 72.4 | Confident | 2 Ų | 2 | 82 Ų | 82 | 1% | 0.01 | 40% | 0.401 | C | S | . | . | trans | -108.8 | 145.5 | -176.8 | -51.3 | 172.3 | 0 | 0 | 0 | 108.7 | T1502 N1506 L1664 A1665 L1668 L1676 | T1502-L1674 HydrophobicContact CG2-CD1 3.88Å; N1506-L1674 WeakPolarHBondContact OD1-CA 3.44Å; N1506-L1674 VanDerWaalsContact OD1-CB 3.26Å; N1506-L1674 WeakPolarHBondContact OD1-CB 3.44Å; N1506-L1674 WeakPolarHBondContact OD1-CG 3.47Å; N1506-L1674 PolarHBondContact OD1-N 2.89Å; L1664-L1674 HydrophobicContact CB-CB 4.31Å; L1664-L1674 HydrophobicContact CB-CD1 4.04Å; L1664-L1674 HydrophobicContact CB-CD2 4.01Å; L1664-L1674 HydrophobicContact CB-CG 4.33Å; L1664-L1674 HydrophobicContact CD1-CB 4.21Å; A1665-L1674 HydrophobicContact CB-CD1 4.45Å; L1668-L1674 HydrophobicContact CB-CD2 4.34Å; L1668-L1674 HydrophobicContact CD1-CD2 3.94Å; L1674-L1676 VanDerWaalsContact C-N 3.26Å; L1674-L1676 HydrophobicContact CB-CD1 4.37Å; L1674-L1676 HydrophobicContact CB-CG 4.1Å; L1674-L1676 PolarHBondContact O-N 3.44Å | ||
| 1675 | P | 81.9 | Confident | 69.8 | Low | 62 Ų | 62 | 85 Ų | 85 | 40% | 0.403 | 41% | 0.412 | S | S | . | . | trans | -79.3 | 72.6 | 179.3 | 32.7 | -35.2 | 0 | 0 | 0 | 110.9 | L1668 | L1668-P1675 VanDerWaalsContact CD1-CD 3.47Å; L1668-P1675 HydrophobicContact CD1-CG 4.24Å | ||
| 1676 | L | 80.3 | Confident | 67.1 | Low | 0 Ų | 0 | 89.6 Ų | 89.6 | 0% | 0 | 44% | 0.443 | C | S | . | . | trans | -79 | -22.8 | -173.9 | -72.1 | 163.4 | 0 | 0 | 0 | 113.7 | N1506 L1509 M1657 I1660 L1664 L1674 Q1678 Y1679 L1680 | N1506-L1676 HydrophobicContact CB-CD1 4.03Å; L1509-L1676 HydrophobicContact CD1-CD1 4.42Å; L1509-L1676 HydrophobicContact CD2-CD1 3.81Å; L1509-L1676 HydrophobicContact CD2-CD2 4.22Å; L1509-L1676 HydrophobicContact CG-CD1 3.97Å; M1657-L1676 HydrophobicContact CE-CD2 4.15Å; I1660-L1676 HydrophobicContact CG2-CD2 4.21Å; L1664-L1676 HydrophobicContact CD1-CD2 4.05Å; L1674-L1676 VanDerWaalsContact C-N 3.26Å; L1674-L1676 HydrophobicContact CB-CD1 4.37Å; L1674-L1676 HydrophobicContact CB-CG 4.1Å; L1674-L1676 PolarHBondContact O-N 3.44Å; L1676-Q1678 VanDerWaalsContact C-N 3.28Å; L1676-Q1678 PolarHBondContact O-N 3.05Å; L1676-Y1679 WeakPolarHBondContact O-CB 3.47Å; L1676-Y1679 PolarHBondContact O-N 3.25Å; L1676-L1680 PolarHBondContact O-N 3.5Å; L1676-L1680 VanDerWaalsContact O-N 3.12Å | ||
| 1677 | D | 72.1 | Confident | 64.4 | Low | 80 Ų | 80 | 87.9 Ų | 87.9 | 43% | 0.428 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.5 | -35.4 | -172.9 | -49.1 | -57.7 | 0 | 0 | 0 | 113.5 | Y1679 L1680 L1681 | D1677-Y1679 PolarHBondContact O-N 3.41Å; D1677-L1680 PolarHBondContact O-N 2.96Å; D1677-L1681 PolarHBondContact O-N 3.32Å; D1677-L1681 VanDerWaalsContact O-N 3.12Å |
| 1678 | Q | 66 | Low | 61.7 | Low | 133 Ų | 133 | 84.3 Ų | 84.3 | 62% | 0.621 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62.1 | -30.7 | 176.6 | -64.6 | -177.2 | -5.7 | 0 | 0 | 112.1 | L1676 H1682 | L1676-Q1678 VanDerWaalsContact C-N 3.28Å; L1676-Q1678 PolarHBondContact O-N 3.05Å; Q1678-H1682 PolarHBondContact O-CD2 3.39Å |
| 1679 | Y | 65.7 | Low | 58.8 | Low | 97 Ų | 97 | 86.5 Ų | 86.5 | 38% | 0.38 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -83.9 | -34.3 | 176.7 | -62 | -85.4 | 0 | 0 | 0 | 111.7 | I1660 L1664 L1676 D1677 L1681 H1682 | I1660-Y1679 HydrophobicContact CD1-CD1 4.13Å; I1660-Y1679 HydrophobicContact CD1-CG 4.34Å; I1660-Y1679 HydrophobicContact CG2-CD1 4.12Å; I1660-Y1679 HydrophobicContact CG2-CD2 3.99Å; I1660-Y1679 HydrophobicContact CG2-CE1 4.31Å; I1660-Y1679 HydrophobicContact CG2-CE2 4.18Å; I1660-Y1679 HydrophobicContact CG2-CG 3.95Å; L1664-Y1679 HydrophobicContact CD1-CD2 4.39Å; L1664-Y1679 HydrophobicContact CD1-CE2 3.96Å; L1664-Y1679 HydrophobicContact CD2-CE2 4.47Å; L1676-Y1679 WeakPolarHBondContact O-CB 3.47Å; L1676-Y1679 PolarHBondContact O-N 3.25Å; D1677-Y1679 PolarHBondContact O-N 3.41Å; Y1679-L1681 VanDerWaalsContact C-N 3.29Å; Y1679-L1681 PolarHBondContact O-N 2.95Å; Y1679-H1682 PolarHBondContact O-N 2.94Å |
| 1680 | L | 61.5 | Low | 56.1 | Low | 50 Ų | 50 | 96.4 Ų | 96.4 | 26% | 0.262 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.4 | -35.2 | 174.6 | -70.9 | 177.6 | 0 | 0 | 0 | 113 | Y1303 I1508 M1657 L1676 D1677 | Y1303-L1680 PolarHBondContact OH-O 2.89Å; I1508-L1680 HydrophobicContact CD1-CD1 4.41Å; I1508-L1680 HydrophobicContact CG2-CD1 3.93Å; I1508-L1680 HydrophobicContact CG2-CD2 4.45Å; M1657-L1680 HydrophobicContact CE-CD2 3.66Å; M1657-L1680 HydrophobicContact CE-CG 4.2Å; M1657-L1680 HydrophobicContact SD-CD2 4.17Å; L1676-L1680 PolarHBondContact O-N 3.5Å; L1676-L1680 VanDerWaalsContact O-N 3.12Å; D1677-L1680 PolarHBondContact O-N 2.96Å |
| 1681 | L | 47.9 | Very low | 53.2 | Low | 90 Ų | 90 | 91.4 Ų | 91.4 | 47% | 0.471 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -20.3 | 179.3 | -81.1 | 161.1 | 0 | 0 | 0 | 114.5 | D1677 Y1679 | D1677-L1681 PolarHBondContact O-N 3.32Å; D1677-L1681 VanDerWaalsContact O-N 3.12Å; Y1679-L1681 VanDerWaalsContact C-N 3.29Å; Y1679-L1681 PolarHBondContact O-N 2.95Å |
| 1682 | H | 43 | Very low | 50.4 | Low | 162 Ų | 162 | 99.6 Ų | 99.6 | 75% | 0.75 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | 14.9 | -167.2 | -91.4 | -64.1 | 0 | 0 | 0 | 115.5 | Q1678 Y1679 P1684 | Q1678-H1682 PolarHBondContact O-CD2 3.39Å; Y1679-H1682 PolarHBondContact O-N 2.94Å; H1682-P1684 WeakPolarHBondContact O-CD 3.33Å |
| 1683 | V | 39.7 | Very low | 47.5 | Very low | 69 Ų | 69 | 104.4 Ų | 104.4 | 42% | 0.418 | 51% | 0.508 | S | S | . | . | trans | -91 | 107 | 174.5 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | Y1685 | V1683-Y1685 HydrophobicContact CG1-CD2 4.45Å; V1683-Y1685 HydrophobicContact CG1-CE2 4.48Å; V1683-Y1685 PolarHBondContact O-N 2.97Å | ||
| 1684 | P | 30.6 | Very low | 44.6 | Very low | 73 Ų | 73 | 103.7 Ų | 103.7 | 47% | 0.474 | 52% | 0.516 | S | S | . | . | trans | -75.2 | 93.7 | 178.6 | 31 | -35.5 | 0 | 0 | 0 | 111.5 | H1682 S1686 L1687 | H1682-P1684 WeakPolarHBondContact O-CD 3.33Å; P1684-S1686 PolarHBondContact O-N 3.1Å; P1684-L1687 PolarHBondContact O-N 3.49Å; P1684-L1687 VanDerWaalsContact O-N 3.14Å | ||
| 1685 | Y | 30.2 | Very low | 41.6 | Very low | 82 Ų | 82 | 108.8 Ų | 108.8 | 32% | 0.322 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -53.2 | -19 | 176.9 | -92.6 | -101.2 | 0 | 0 | 0 | 114.7 | Q1299 Y1303 V1683 L1687 M1688 | Q1299-Y1685 HydrophobicContact CB-CE1 4.39Å; Y1303-Y1685 HydrophobicContact CD2-CE2 4.02Å; Y1303-Y1685 HydrophobicContact CE1-CD2 4.11Å; Y1303-Y1685 HydrophobicContact CE1-CE2 4.28Å; Y1303-Y1685 HydrophobicContact CE2-CD2 4.17Å; Y1303-Y1685 AromaticContact CE2-CE2 3.51Å; Y1303-Y1685 HydrophobicContact CE2-CE2 3.51Å; Y1303-Y1685 AromaticContact CZ-CD2 3.88Å; Y1303-Y1685 AromaticContact CZ-CE2 3.65Å; V1683-Y1685 HydrophobicContact CG1-CD2 4.45Å; V1683-Y1685 HydrophobicContact CG1-CE2 4.48Å; V1683-Y1685 PolarHBondContact O-N 2.97Å; Y1685-L1687 VanDerWaalsContact C-N 3.27Å; Y1685-L1687 PolarHBondContact O-N 3.09Å; Y1685-M1688 PolarHBondContact O-N 3.4Å |
| 1686 | S | 29.4 | Very low | 38.9 | Very low | 101 Ų | 101 | 113.8 Ų | 113.8 | 71% | 0.706 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.8 | -28.9 | 175.8 | 54.9 | 0 | 0 | 0 | 0 | 114.3 | P1684 | P1684-S1686 PolarHBondContact O-N 3.1Å |
| 1687 | L | 27.7 | Very low | 36.1 | Very low | 114 Ų | 114 | 121.6 Ų | 121.6 | 60% | 0.597 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -85.7 | -22.9 | -179.6 | -108.3 | 157 | 0 | 0 | 0 | 113.1 | P1684 Y1685 M1689 | P1684-L1687 PolarHBondContact O-N 3.49Å; P1684-L1687 VanDerWaalsContact O-N 3.14Å; Y1685-L1687 VanDerWaalsContact C-N 3.27Å; Y1685-L1687 PolarHBondContact O-N 3.09Å; L1687-M1689 VanDerWaalsContact C-N 3.33Å; L1687-M1689 PolarHBondContact O-N 3.36Å |
| 1688 | M | 28.9 | Very low | 33.9 | Very low | 99 Ų | 99 | 122.7 Ų | 122.7 | 49% | 0.488 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -81.7 | -10.2 | -175.4 | -165.5 | 165.2 | 172 | 0 | 0 | 113.7 | R1520 Y1685 | R1520-M1688 VanDerWaalsContact NH1-CE 3.3Å; Y1685-M1688 PolarHBondContact O-N 3.4Å |
| 1689 | M | 25.8 | Very low | 31.9 | Very low | 118 Ų | 118 | 122.6 Ų | 122.6 | 58% | 0.581 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -4.3 | -175.7 | -97.4 | -74.5 | -165.6 | 0 | 0 | 115.3 | N1296 L1687 | N1296-M1689 HydrophobicContact CB-CE 3.97Å; L1687-M1689 VanDerWaalsContact C-N 3.33Å; L1687-M1689 PolarHBondContact O-N 3.36Å |
| 1690 | R | 25.1 | Very low | 29.8 | Very low | 236 Ų | 236 | 127.1 Ų | 127.1 | 89% | 0.891 | 66% | 0.662 | S | S | * | * | trans | -108.9 | 37.2 | -161.4 | -134.2 | 178.9 | -166 | -154.9 | 3 | 116.5 | ||||
| 1691 | S | 24.5 | Very low | 28 | Very low | 85 Ų | 85 | 132 Ų | 132 | 59% | 0.594 | 69% | 0.688 | S | S | * | * | trans | -147.1 | 63.3 | 177.8 | 59.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1692 | R | 23.7 | Very low | 27 | Very low | 204 Ų | 204 | 138.3 Ų | 138.3 | 77% | 0.77 | 71% | 0.705 | S | S | * | * | trans | -140 | 109.7 | 148.8 | -74.1 | -159.8 | 179.5 | -161.5 | -0.3 | 111.8 | ||||
| 1693 | F | 23.5 | Very low | 26 | Very low | 218 Ų | 218 | 138 Ų | 138 | 96% | 0.956 | 71% | 0.708 | S | S | * | * | trans | -91.1 | 135.9 | 167.1 | -111.6 | -92.6 | 0 | 0 | 0 | 109.5 | ||||
| 1694 | S | 22.8 | Very low | 25.2 | Very low | 103 Ų | 103 | 139.1 Ų | 139.1 | 72% | 0.72 | 72% | 0.72 | S | S | * | * | trans | -160.4 | 147.7 | 145.6 | 63.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1695 | S | 24.4 | Very low | 24.9 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | trans | 53.1 | 79.3 | 163.3 | 62.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1696 | I | 23.7 | Very low | 24.5 | Very low | 167 Ų | 167 | 143.2 Ų | 143.2 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | -132.2 | 115.1 | 122.8 | -59.3 | -175.7 | 0 | 0 | 0 | 108 | |||||
| 1697 | L | 21.4 | Very low | 24.1 | Very low | 165 Ų | 165 | 144.4 Ų | 144.4 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | trans | -100.7 | 156.1 | 150.8 | -117.3 | 62.7 | 0 | 0 | 0 | 105.7 | ||||
| 1698 | P | 26.5 | Very low | 23.9 | Very low | 102 Ų | 102 | 144.8 Ų | 144.8 | 66% | 0.662 | 78% | 0.776 | S | S | * | * | cis | -131.7 | -160.1 | 29.9 | 39.9 | -21.5 | 0 | 0 | 0 | 114.8 | ||||
| 1699 | T | 23.8 | Very low | 23.6 | Very low | 132 Ų | 132 | 148.4 Ų | 148.4 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | 74.9 | 77.4 | 176.8 | 63.9 | 0 | 0 | 0 | 0 | 116.8 | N1701 | T1699-N1701 PolarHBondContact O-N 2.97Š| ||
| 1700 | M | 21 | Very low | 23.5 | Very low | 192 Ų | 192 | 150 Ų | 150 | 95% | 0.946 | 80% | 0.801 | S | S | * | * | trans | -63.5 | 119.3 | 142.8 | -89.5 | -168.2 | 163.2 | 0 | 0 | 109.1 | ||||
| 1701 | N | 24.5 | Very low | 23.5 | Very low | 152 Ų | 152 | 145 Ų | 145 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | -164.7 | 138.5 | 144.5 | -113.3 | -47.5 | 0 | 0 | 0 | 111.9 | T1699 | T1699-N1701 PolarHBondContact O-N 2.97Š| ||
| 1702 | R | 26.1 | Very low | 23.4 | Very low | 223 Ų | 223 | 151.6 Ų | 151.6 | 84% | 0.842 | 81% | 0.81 | S | S | * | * | trans | 70.2 | 88.7 | 169.6 | -57.1 | -174 | -179.4 | -163.1 | -0.6 | 119.3 | ||||
| 1703 | L | 23.1 | Very low | 23.4 | Very low | 154 Ų | 154 | 148.6 Ų | 148.6 | 81% | 0.806 | 81% | 0.809 | S | S | * | * | 59.1 | 101.8 | 109.3 | -73 | 164.4 | 0 | 0 | 0 | 121 | |||||
| 1704 | S | 22.8 | Very low | 23.4 | Very low | 94 Ų | 94 | 147.9 Ų | 147.9 | 66% | 0.657 | 81% | 0.806 | S | S | * | * | 65.3 | 142.2 | 114.3 | 70.5 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 1705 | S | 23.5 | Very low | 23.5 | Very low | 118 Ų | 118 | 151.2 Ų | 151.2 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | 75.7 | 148.4 | 166.7 | 80.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1706 | C | 23.2 | Very low | 23.5 | Very low | 122 Ų | 122 | 153.4 Ų | 153.4 | 82% | 0.824 | 82% | 0.816 | S | S | * | * | cis | -137.4 | 161.9 | 7.6 | -151.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1707 | T | 21.2 | Very low | 23.5 | Very low | 127 Ų | 127 | 152.2 Ų | 152.2 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | trans | -92.3 | 139.7 | 176.4 | 47.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1708 | S | 23.3 | Very low | 23.7 | Very low | 121 Ų | 121 | 152.5 Ų | 152.5 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | -172.9 | 157.7 | 137.6 | 30.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1709 | E | 22 | Very low | 23.7 | Very low | 176 Ų | 176 | 152.8 Ų | 152.8 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | trans | -71 | 166.1 | -175.6 | -55.1 | 142.8 | 124.3 | 0 | 0 | 113.3 | ||||
| 1710 | I | 24.1 | Very low | 23.9 | Very low | 151 Ų | 151 | 154.6 Ų | 154.6 | 77% | 0.774 | 82% | 0.819 | S | S | * | * | 171.9 | 135.5 | 117.7 | -90.1 | 163.6 | 0 | 0 | 0 | 113.2 | |||||
| 1711 | N | 24.8 | Very low | 23.9 | Very low | 130 Ų | 130 | 151.9 Ų | 151.9 | 70% | 0.695 | 80% | 0.804 | S | S | * | * | trans | 40.3 | 99 | 158.2 | -65.8 | -20.7 | 0 | 0 | 0 | 121.5 | N1713 | N1711-N1713 VanDerWaalsContact C-N 3.3Å; N1711-N1713 HydrophobicContact CB-CB 4.27Å; N1711-N1713 PolarHBondContact O-N 3.43Å | ||
| 1712 | F | 22.4 | Very low | 23.9 | Very low | 225 Ų | 225 | 153.3 Ų | 153.3 | 99% | 0.987 | 80% | 0.799 | S | S | * | * | trans | -81.2 | 76 | 145.6 | -118.1 | -86.3 | 0 | 0 | 0 | 110 | ||||
| 1713 | N | 22.6 | Very low | 23.8 | Very low | 141 Ų | 141 | 149.1 Ų | 149.1 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | trans | -142.6 | 54.7 | -177.6 | -128.3 | -13.4 | 0 | 0 | 0 | 112.2 | N1711 | N1711-N1713 VanDerWaalsContact C-N 3.3Å; N1711-N1713 HydrophobicContact CB-CB 4.27Å; N1711-N1713 PolarHBondContact O-N 3.43Å | ||
| 1714 | K | 25.3 | Very low | 23.8 | Very low | 203 Ų | 203 | 147.2 Ų | 147.2 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | -160.4 | 74.7 | 177.6 | -137.8 | 174.4 | -171.1 | 179.7 | 0 | 113.7 | ||||
| 1715 | L | 24.5 | Very low | 23.9 | Very low | 172 Ų | 172 | 148.2 Ų | 148.2 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | trans | -160.3 | 44.8 | 164.2 | -118.6 | 168.3 | 0 | 0 | 0 | 113.2 | ||||
| 1716 | I | 23.4 | Very low | 23.8 | Very low | 155 Ų | 155 | 147.1 Ų | 147.1 | 80% | 0.795 | 79% | 0.788 | S | S | * | * | trans | -129.4 | 138.3 | 169.7 | -69.6 | -179.2 | 0 | 0 | 0 | 108.3 | ||||
| 1717 | N | 24.2 | Very low | 24 | Very low | 142 Ų | 142 | 148.9 Ų | 148.9 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | 65.1 | 111.8 | 176.3 | -62 | -12 | 0 | 0 | 0 | 118.1 | ||||
| 1718 | N | 24.9 | Very low | 24 | Very low | 170 Ų | 170 | 146.9 Ų | 146.9 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | -145.8 | 114.5 | 124.6 | -125.6 | 9.9 | 0 | 0 | 0 | 108.4 | |||||
| 1719 | P | 26.8 | Very low | 24.2 | Very low | 108 Ų | 108 | 150 Ų | 150 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | -94.4 | 152.9 | 178.4 | 36.5 | -32.9 | 0 | 0 | 0 | 112 | ||||
| 1720 | I | 27.3 | Very low | 24.4 | Very low | 170 Ų | 170 | 146.2 Ų | 146.2 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | trans | -139.3 | 134.5 | 163 | -61.2 | -176.1 | 0 | 0 | 0 | 108.6 | ||||
| 1721 | E | 22.4 | Very low | 24.3 | Very low | 136 Ų | 136 | 144 Ų | 144 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | trans | -92.7 | 144.1 | 179.9 | -56.2 | 166.2 | 129.4 | 0 | 0 | 108.9 | ||||
| 1722 | Y | 23.9 | Very low | 24.3 | Very low | 182 Ų | 182 | 145.4 Ų | 145.4 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | 169.2 | 167.9 | 85.6 | -86.2 | -67.2 | 0 | 0 | 0 | 107.5 | |||||
| 1723 | N | 24.8 | Very low | 24.5 | Very low | 135 Ų | 135 | 141 Ų | 141 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | cis | -147.1 | -170.3 | 5.7 | -142.9 | -13.9 | 0 | 0 | 0 | 113.6 | ||||
| 1724 | T | 21.8 | Very low | 24.5 | Very low | 113 Ų | 113 | 139.7 Ų | 139.7 | 69% | 0.693 | 77% | 0.766 | S | S | * | * | trans | -82.4 | 134.2 | -175.8 | 51.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1725 | S | 25.3 | Very low | 24.5 | Very low | 115 Ų | 115 | 137.9 Ų | 137.9 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | 165.2 | 142.7 | 132.9 | 58.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1726 | S | 21.8 | Very low | 24.7 | Very low | 96 Ų | 96 | 136.1 Ų | 136.1 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | cis | 178.3 | 163.8 | -24.7 | 46.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1727 | I | 27.3 | Very low | 24.8 | Very low | 159 Ų | 159 | 135.4 Ų | 135.4 | 82% | 0.815 | 75% | 0.753 | S | S | * | * | trans | 76.5 | 134.1 | 173.9 | -50.1 | 166.2 | 0 | 0 | 0 | 114.2 | ||||
| 1728 | S | 21.7 | Very low | 25 | Very low | 85 Ų | 85 | 139.7 Ų | 139.7 | 59% | 0.594 | 76% | 0.758 | S | S | * | * | cis | -170.3 | 157.6 | -26.6 | 58.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1729 | H | 27.1 | Very low | 25.1 | Very low | 186 Ų | 186 | 137.8 Ų | 137.8 | 86% | 0.861 | 75% | 0.748 | S | S | * | * | trans | 66.2 | 142.1 | 175.8 | -64.4 | -87.5 | 0 | 0 | 0 | 116 | ||||
| 1730 | A | 26.4 | Very low | 25.2 | Very low | 97 Ų | 97 | 138.4 Ų | 138.4 | 80% | 0.802 | 75% | 0.745 | S | S | * | * | cis | -145.5 | 169.8 | -10.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1731 | S | 22 | Very low | 25.2 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | trans | -88.3 | 146 | -171.2 | 55.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1732 | I | 24.9 | Very low | 25.5 | Very low | 158 Ų | 158 | 138.1 Ų | 138.1 | 81% | 0.81 | 74% | 0.743 | S | S | * | * | 178.5 | 100.5 | 125.8 | -86.4 | 148.4 | 0 | 0 | 0 | 108.7 | |||||
| 1733 | H | 25.4 | Very low | 25.8 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 61% | 0.611 | 73% | 0.731 | S | S | * | * | trans | -175.8 | 86.7 | 157.1 | -121.8 | -76.3 | 0 | 0 | 0 | 111.4 | K443 | K443-H1733 PolarHBondContact NZ-NE2 3.37Š| ||
| 1734 | S | 24.1 | Very low | 26 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 80% | 0.797 | 73% | 0.728 | S | S | * | * | trans | -147.4 | 28.1 | 179 | 64.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1735 | D | 25.1 | Very low | 26.3 | Very low | 166 Ų | 166 | 134.2 Ų | 134.2 | 89% | 0.888 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -128 | 21.8 | -177.8 | -104.2 | -39.7 | 0 | 0 | 0 | 114.8 | ||
| 1736 | M | 28 | Very low | 26.7 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 66% | 0.66 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -122 | 2.6 | 177.9 | -140.9 | -176.1 | -69.8 | 0 | 0 | 115 | ||
| 1737 | N | 26.1 | Very low | 27.2 | Very low | 141 Ų | 141 | 132.5 Ų | 132.5 | 75% | 0.754 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -105.4 | 16.2 | -173.4 | -94.2 | 4.9 | 0 | 0 | 0 | 115.8 | ||
| 1738 | R | 27.5 | Very low | 27.6 | Very low | 232 Ų | 232 | 130.5 Ų | 130.5 | 88% | 0.875 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -114.2 | -15.8 | 171 | -77.4 | -172.2 | 172.5 | -175.2 | -1.7 | 115.6 | ||
| 1739 | N | 27.5 | Very low | 28.3 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 69% | 0.69 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -94.9 | 10.3 | 178.4 | -70.4 | -14.6 | 0 | 0 | 0 | 114.2 | ||
| 1740 | L | 28.2 | Very low | 28.8 | Very low | 122 Ų | 122 | 128.5 Ų | 128.5 | 64% | 0.639 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -102.3 | -11.6 | -178.2 | -119.8 | 74.1 | 0 | 0 | 0 | 114.9 | ||
| 1741 | I | 28.5 | Very low | 29.3 | Very low | 134 Ų | 134 | 129.7 Ų | 129.7 | 69% | 0.687 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -92.7 | -8.7 | -173 | -65.3 | 175 | 0 | 0 | 0 | 112.4 | I1743 T1744 | I1741-I1743 PolarHBondContact O-N 3.32Å; I1741-T1744 PolarHBondContact O-OG1 2.9Å |
| 1742 | Q | 27.3 | Very low | 30.3 | Very low | 166 Ų | 166 | 127.7 Ų | 127.7 | 78% | 0.776 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | 23.1 | -171.7 | -140.7 | 174.1 | 17.5 | 0 | 0 | 114.7 | ||
| 1743 | I | 31.7 | Very low | 31.1 | Very low | 90 Ų | 90 | 124.5 Ų | 124.5 | 46% | 0.462 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -115.8 | -4.7 | -174.8 | -59.1 | -179.8 | 0 | 0 | 0 | 112.2 | I1741 | I1741-I1743 PolarHBondContact O-N 3.32Š|
| 1744 | T | 28.2 | Very low | 31.7 | Very low | 107 Ų | 107 | 121.2 Ų | 121.2 | 66% | 0.656 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -93.2 | -4.5 | -174 | 41.7 | 0 | 0 | 0 | 0 | 116 | I1741 | I1741-T1744 PolarHBondContact O-OG1 2.9Š|
| 1745 | E | 28.3 | Very low | 32.6 | Very low | 150 Ų | 150 | 118.3 Ų | 118.3 | 70% | 0.701 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -98.7 | -13.9 | -171.6 | -62.5 | -170.8 | 138.1 | 0 | 0 | 115.1 | ||
| 1746 | T | 34.4 | Very low | 33.5 | Very low | 115 Ų | 115 | 115.7 Ų | 115.7 | 71% | 0.706 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -73.5 | -23.9 | -174 | 51.8 | 0 | 0 | 0 | 0 | 117.4 | ||
| 1747 | P | 32.1 | Very low | 34.4 | Very low | 61 Ų | 61 | 114.5 Ų | 114.5 | 40% | 0.396 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -73.3 | -29.5 | 177.6 | -17.2 | 31.1 | 0 | 0 | 0 | 113.8 | M1751 | P1747-M1751 PolarHBondContact O-N 3.46Å |
| 1748 | I | 35.5 | Very low | 35.1 | Very low | 116 Ų | 116 | 113.3 Ų | 113.3 | 60% | 0.595 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69.8 | -43.6 | -169.4 | -60.9 | 174.7 | 0 | 0 | 0 | 110.7 | L1750 M1751 T1752 | I1748-L1750 VanDerWaalsContact C-N 3.27Å; I1748-L1750 PolarHBondContact O-N 3.21Å; I1748-M1751 PolarHBondContact O-N 3.04Å; I1748-T1752 PolarHBondContact O-N 3.35Å; I1748-T1752 PolarHBondContact O-OG1 3.39Å |
| 1749 | H | 35.3 | Very low | 35.6 | Very low | 129 Ų | 129 | 107.6 Ų | 107.6 | 60% | 0.597 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.7 | -25.9 | -175 | -132.1 | -66.9 | 0 | 0 | 0 | 113.9 | T1752 H1753 | H1749-T1752 WeakPolarHBondContact CA-OG1 2.89Å; H1749-T1752 PolarHBondContact O-OG1 2.68Å; H1749-H1753 AromaticContact ND1-CD2 3.89Å; H1749-H1753 AromaticContact ND1-NE2 3.75Å; H1749-H1753 PolarHBondContact O-CD2 3.06Å; H1749-H1753 VanDerWaalsContact O-CD2 3.29Å; H1749-H1753 PolarHBondContact O-N 2.89Å |
| 1750 | L | 37.4 | Very low | 36.3 | Very low | 101 Ų | 101 | 106 Ų | 106 | 53% | 0.529 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -77.3 | -40.2 | 175.4 | -171.4 | 68.8 | 0 | 0 | 0 | 111.4 | I1748 H1753 L1754 | I1748-L1750 VanDerWaalsContact C-N 3.27Å; I1748-L1750 PolarHBondContact O-N 3.21Å; L1750-H1753 PolarHBondContact O-N 3.06Å; L1750-L1754 HydrophobicContact CG-CD1 4.38Å; L1750-L1754 PolarHBondContact O-N 3.22Å |
| 1751 | M | 37.5 | Very low | 36.6 | Very low | 121 Ų | 121 | 102.9 Ų | 102.9 | 60% | 0.596 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.3 | -39.6 | 174.8 | -76.4 | -82 | 91.8 | 0 | 0 | 111.9 | P1747 I1748 H1753 L1754 A1755 | P1747-M1751 PolarHBondContact O-N 3.46Å; I1748-M1751 PolarHBondContact O-N 3.04Å; M1751-H1753 PolarHBondContact O-N 3.37Å; M1751-L1754 HydrophobicContact CE-CB 4.45Å; M1751-L1754 HydrophobicContact CE-CD1 3.68Å; M1751-L1754 PolarHBondContact O-N 3.23Å; M1751-A1755 WeakPolarHBondContact O-CB 3.37Å; M1751-A1755 PolarHBondContact O-N 3.4Å |
| 1752 | T | 42.9 | Very low | 36.9 | Very low | 63 Ų | 63 | 99.6 Ų | 99.6 | 39% | 0.387 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.5 | -37.1 | 174.9 | 47.9 | 0 | 0 | 0 | 0 | 112.8 | I1748 H1749 Q1756 | I1748-T1752 PolarHBondContact O-N 3.35Å; I1748-T1752 PolarHBondContact O-OG1 3.39Å; H1749-T1752 WeakPolarHBondContact CA-OG1 2.89Å; H1749-T1752 PolarHBondContact O-OG1 2.68Å; T1752-Q1756 VanDerWaalsContact O-CG 3.31Å; T1752-Q1756 WeakPolarHBondContact O-CG 3.21Å; T1752-Q1756 PolarHBondContact O-N 2.81Å |
| 1753 | H | 41.6 | Very low | 37.4 | Very low | 91 Ų | 91 | 99.5 Ų | 99.5 | 42% | 0.421 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -72.6 | -37.7 | 175.2 | -81.3 | -50.4 | 0 | 0 | 0 | 113.1 | H1749 L1750 M1751 A1755 Q1756 I1757 | H1749-H1753 AromaticContact ND1-CD2 3.89Å; H1749-H1753 AromaticContact ND1-NE2 3.75Å; H1749-H1753 PolarHBondContact O-CD2 3.06Å; H1749-H1753 VanDerWaalsContact O-CD2 3.29Å; H1749-H1753 PolarHBondContact O-N 2.89Å; L1750-H1753 PolarHBondContact O-N 3.06Å; M1751-H1753 PolarHBondContact O-N 3.37Å; H1753-A1755 VanDerWaalsContact C-N 3.35Å; H1753-Q1756 PolarHBondContact ND1-OE1 2.87Å; H1753-Q1756 PolarHBondContact O-N 3.45Å; H1753-I1757 VanDerWaalsContact O-CG1 3.31Å; H1753-I1757 WeakPolarHBondContact O-CG1 3.4Å; H1753-I1757 PolarHBondContact O-N 2.65Å |
| 1754 | L | 39.3 | Very low | 37.7 | Very low | 63 Ų | 63 | 101.7 Ų | 101.7 | 33% | 0.33 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.7 | -38.7 | 172.7 | -78.9 | 166.3 | 0 | 0 | 0 | 111.9 | L1750 M1751 I1757 L1758 | L1750-L1754 HydrophobicContact CG-CD1 4.38Å; L1750-L1754 PolarHBondContact O-N 3.22Å; M1751-L1754 HydrophobicContact CE-CB 4.45Å; M1751-L1754 HydrophobicContact CE-CD1 3.68Å; M1751-L1754 PolarHBondContact O-N 3.23Å; L1754-I1757 PolarHBondContact O-N 3.26Å; L1754-L1758 WeakPolarHBondContact O-CB 3.31Å; L1754-L1758 WeakPolarHBondContact O-CG 3.32Å; L1754-L1758 PolarHBondContact O-N 3.3Å |
| 1755 | A | 41.5 | Very low | 38 | Very low | 53 Ų | 53 | 103.7 Ų | 103.7 | 44% | 0.438 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.8 | -37.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | M1751 H1753 N1759 | M1751-A1755 WeakPolarHBondContact O-CB 3.37Å; M1751-A1755 PolarHBondContact O-N 3.4Å; H1753-A1755 VanDerWaalsContact C-N 3.35Å; A1755-N1759 WeakPolarHBondContact O-CB 3.36Å; A1755-N1759 PolarHBondContact O-N 2.79Å |
| 1756 | Q | 44 | Very low | 38.1 | Very low | 111 Ų | 111 | 107.2 Ų | 107.2 | 52% | 0.519 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.6 | -45.3 | 173 | -76 | 170.5 | -12.3 | 0 | 0 | 112 | T1752 H1753 L1758 N1759 V1760 | T1752-Q1756 VanDerWaalsContact O-CG 3.31Å; T1752-Q1756 WeakPolarHBondContact O-CG 3.21Å; T1752-Q1756 PolarHBondContact O-N 2.81Å; H1753-Q1756 PolarHBondContact ND1-OE1 2.87Å; H1753-Q1756 PolarHBondContact O-N 3.45Å; Q1756-L1758 PolarHBondContact O-N 3.5Å; Q1756-N1759 PolarHBondContact O-N 3.06Å; Q1756-V1760 WeakPolarHBondContact O-CG2 3.47Å; Q1756-V1760 PolarHBondContact O-N 2.69Å |
| 1757 | I | 47.7 | Very low | 37.9 | Very low | 110 Ų | 110 | 105.5 Ų | 105.5 | 56% | 0.564 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.2 | -41.9 | 178.3 | -68.7 | 164.2 | 0 | 0 | 0 | 111.1 | H1753 L1754 V1760 S1761 | H1753-I1757 VanDerWaalsContact O-CG1 3.31Å; H1753-I1757 WeakPolarHBondContact O-CG1 3.4Å; H1753-I1757 PolarHBondContact O-N 2.65Å; L1754-I1757 PolarHBondContact O-N 3.26Å; I1757-V1760 PolarHBondContact O-N 2.85Å; I1757-S1761 PolarHBondContact O-N 3.05Å; I1757-S1761 VanDerWaalsContact O-N 3.1Å |
| 1758 | L | 39.7 | Very low | 38 | Very low | 116 Ų | 116 | 108.7 Ų | 108.7 | 61% | 0.607 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.4 | -36.8 | 176.5 | -72 | 168 | 0 | 0 | 0 | 112.4 | L1754 Q1756 V1760 S1761 S1762 | L1754-L1758 WeakPolarHBondContact O-CB 3.31Å; L1754-L1758 WeakPolarHBondContact O-CG 3.32Å; L1754-L1758 PolarHBondContact O-N 3.3Å; Q1756-L1758 PolarHBondContact O-N 3.5Å; L1758-V1760 PolarHBondContact O-N 2.76Å; L1758-S1761 PolarHBondContact O-N 2.88Å; L1758-S1761 PolarHBondContact O-OG 2.64Å; L1758-S1762 PolarHBondContact O-N 2.79Å |
| 1759 | N | 39.8 | Very low | 37.9 | Very low | 112 Ų | 112 | 111.6 Ų | 111.6 | 60% | 0.599 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62.2 | -40.6 | 170.8 | -95.7 | -24 | 0 | 0 | 0 | 112.3 | A1755 Q1756 S1761 S1762 | A1755-N1759 WeakPolarHBondContact O-CB 3.36Å; A1755-N1759 PolarHBondContact O-N 2.79Å; Q1756-N1759 PolarHBondContact O-N 3.06Å; N1759-S1761 PolarHBondContact O-N 3.43Å; N1759-S1762 WeakPolarHBondContact O-CB 3.48Å; N1759-S1762 PolarHBondContact O-N 3.34Å; N1759-S1762 VanDerWaalsContact O-N 3.16Å; N1759-S1762 PolarHBondContact O-OG 2.9Å |
| 1760 | V | 40.5 | Very low | 37.8 | Very low | 94 Ų | 94 | 111.1 Ų | 111.1 | 57% | 0.57 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.8 | -39.4 | 177.2 | 170.9 | 0 | 0 | 0 | 0 | 111.7 | Q1756 I1757 L1758 S1762 Q1763 | Q1756-V1760 WeakPolarHBondContact O-CG2 3.47Å; Q1756-V1760 PolarHBondContact O-N 2.69Å; I1757-V1760 PolarHBondContact O-N 2.85Å; L1758-V1760 PolarHBondContact O-N 2.76Å; V1760-S1762 VanDerWaalsContact C-N 3.27Å; V1760-S1762 PolarHBondContact O-N 2.92Å; V1760-Q1763 PolarHBondContact O-N 2.82Å |
| 1761 | S | 35.2 | Very low | 37.4 | Very low | 57 Ų | 57 | 111.8 Ų | 111.8 | 40% | 0.399 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.6 | -28.2 | 174.4 | 61.6 | 0 | 0 | 0 | 0 | 113.9 | I1757 L1758 N1759 Q1763 I1764 | I1757-S1761 PolarHBondContact O-N 3.05Å; I1757-S1761 VanDerWaalsContact O-N 3.1Å; L1758-S1761 PolarHBondContact O-N 2.88Å; L1758-S1761 PolarHBondContact O-OG 2.64Å; N1759-S1761 PolarHBondContact O-N 3.43Å; S1761-Q1763 VanDerWaalsContact C-N 3.28Å; S1761-Q1763 PolarHBondContact O-N 2.81Å; S1761-I1764 PolarHBondContact O-N 3.31Å |
| 1762 | S | 34.9 | Very low | 37 | Very low | 65 Ų | 65 | 112 Ų | 112 | 46% | 0.455 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -67.3 | -25.2 | 179.4 | 79.9 | 0 | 0 | 0 | 0 | 114.1 | L1758 N1759 V1760 | L1758-S1762 PolarHBondContact O-N 2.79Å; N1759-S1762 WeakPolarHBondContact O-CB 3.48Å; N1759-S1762 PolarHBondContact O-N 3.34Å; N1759-S1762 VanDerWaalsContact O-N 3.16Å; N1759-S1762 PolarHBondContact O-OG 2.9Å; V1760-S1762 VanDerWaalsContact C-N 3.27Å; V1760-S1762 PolarHBondContact O-N 2.92Å |
| 1763 | Q | 37.8 | Very low | 36.4 | Very low | 164 Ų | 164 | 116 Ų | 116 | 77% | 0.766 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -12.3 | -176.9 | -65.7 | -169.2 | -13.2 | 0 | 0 | 113.8 | V1760 S1761 | V1760-Q1763 PolarHBondContact O-N 2.82Å; S1761-Q1763 VanDerWaalsContact C-N 3.28Å; S1761-Q1763 PolarHBondContact O-N 2.81Å |
| 1764 | I | 38 | Very low | 35.7 | Very low | 137 Ų | 137 | 118 Ų | 118 | 70% | 0.703 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -16.9 | -178.2 | -63 | 175.5 | 0 | 0 | 0 | 111.9 | S1761 | S1761-I1764 PolarHBondContact O-N 3.31Š|
| 1765 | I | 35.3 | Very low | 35.3 | Very low | 148 Ų | 148 | 120.8 Ų | 120.8 | 76% | 0.759 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -98.2 | 20.6 | -175.9 | -58.4 | 173.1 | 0 | 0 | 0 | 111.9 | ||
| 1766 | R | 30.1 | Very low | 34.6 | Very low | 225 Ų | 225 | 124 Ų | 124 | 85% | 0.849 | 70% | 0.7 | S | S | * | * | trans | -127 | 62.1 | 173.2 | -73.3 | -168.7 | 174.9 | -173.5 | -0.3 | 112.9 | V1768 | R1766-V1768 PolarHBondContact O-N 2.99Š| ||
| 1767 | G | 30.6 | Very low | 33.8 | Very low | 79 Ų | 79 | 124.2 Ų | 124.2 | 81% | 0.814 | 71% | 0.709 | S | S | * | * | trans | -74.4 | 112.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1768 | V | 34.1 | Very low | 32.7 | Very low | 127 Ų | 127 | 124.1 Ų | 124.1 | 77% | 0.77 | 71% | 0.714 | S | S | * | * | trans | -139.5 | 115.4 | 167.5 | 178.8 | 0 | 0 | 0 | 0 | 109.3 | R1766 | R1766-V1768 PolarHBondContact O-N 2.99Š| ||
| 1769 | Q | 33.3 | Very low | 32.2 | Very low | 177 Ų | 177 | 125.3 Ų | 125.3 | 83% | 0.827 | 73% | 0.726 | S | S | * | * | trans | -113.1 | 147.7 | 150.7 | -75.7 | -169.2 | -15.7 | 0 | 0 | 107.9 | ||||
| 1770 | P | 32.6 | Very low | 31.5 | Very low | 119 Ų | 119 | 127 Ų | 127 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | trans | -137.8 | 138.4 | 134.9 | 35.4 | -23.5 | 0 | 0 | 0 | 112 | ||||
| 1771 | T | 29.6 | Very low | 30.8 | Very low | 116 Ų | 116 | 125.5 Ų | 125.5 | 71% | 0.712 | 74% | 0.739 | S | S | * | * | trans | -100.8 | 126 | 172.6 | 45.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1772 | T | 28.6 | Very low | 30.4 | Very low | 126 Ų | 126 | 132.4 Ų | 132.4 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | 56.6 | 117.2 | 147.3 | 57.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 1773 | T | 30.4 | Very low | 29.9 | Very low | 147 Ų | 147 | 135.1 Ų | 135.1 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | -153.2 | 139.6 | 122 | 0.6 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 1774 | T | 27 | Very low | 29.2 | Very low | 131 Ų | 131 | 134.2 Ų | 134.2 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -107.1 | 162.6 | 174.2 | 52.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1775 | P | 30.2 | Very low | 28.6 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | -140.9 | 174.5 | 100.1 | 36.3 | -21.5 | 0 | 0 | 0 | 115.5 | |||||
| 1776 | T | 26.8 | Very low | 28 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | trans | -63.3 | 175.2 | 176.1 | 55.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1777 | T | 27.9 | Very low | 27.8 | Very low | 116 Ų | 116 | 134.2 Ų | 134.2 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | cis | -161.6 | 150.2 | 30.8 | -25.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1778 | T | 24.5 | Very low | 27.6 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 66% | 0.663 | 76% | 0.764 | S | S | * | * | trans | -5.7 | 143.8 | 156.8 | 57.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1779 | T | 29 | Very low | 27.4 | Very low | 141 Ų | 141 | 135.3 Ų | 135.3 | 87% | 0.865 | 76% | 0.758 | S | S | * | * | -162.4 | 163.6 | 102.7 | 15 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1780 | N | 25.6 | Very low | 27.1 | Very low | 146 Ų | 146 | 134.6 Ų | 134.6 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | trans | -92.8 | 143.8 | -163.3 | -54.5 | -29.6 | 0 | 0 | 0 | 114.1 | ||||
| 1781 | G | 25.6 | Very low | 26.9 | Very low | 64 Ų | 64 | 136 Ų | 136 | 66% | 0.66 | 75% | 0.751 | S | S | * | * | 94.4 | 159.9 | 105 | 0 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 1782 | Y | 25.8 | Very low | 26.5 | Very low | 202 Ų | 202 | 134.7 Ų | 134.7 | 79% | 0.792 | 75% | 0.746 | S | S | * | * | trans | 70.3 | 137.2 | 148.5 | -65.7 | -55.2 | 0 | 0 | 0 | 118.2 | ||||
| 1783 | L | 25.2 | Very low | 26.5 | Very low | 121 Ų | 121 | 136.6 Ų | 136.6 | 63% | 0.634 | 75% | 0.75 | S | S | * | * | cis | -135.7 | 158.2 | -2.5 | -86.6 | 136.2 | 0 | 0 | 0 | 108.1 | ||||
| 1784 | E | 23.9 | Very low | 26.3 | Very low | 146 Ų | 146 | 132.4 Ų | 132.4 | 68% | 0.682 | 74% | 0.736 | S | S | * | * | 63.4 | 129 | 64.3 | -120.3 | 155.7 | -87.4 | 0 | 0 | 109.9 | |||||
| 1785 | E | 24.7 | Very low | 26.3 | Very low | 166 Ų | 166 | 132 Ų | 132 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | -172.3 | 179.5 | 60 | -90.1 | 166.5 | -178.4 | 0 | 0 | 108.5 | |||||
| 1786 | E | 23.5 | Very low | 26.1 | Very low | 167 Ų | 167 | 132.6 Ų | 132.6 | 78% | 0.78 | 73% | 0.73 | S | S | * | * | cis | -162.6 | -151.9 | -46.2 | -127.2 | -160.3 | 172.2 | 0 | 0 | 108.4 | ||||
| 1787 | E | 26.1 | Very low | 26.3 | Very low | 176 Ų | 176 | 134 Ų | 134 | 82% | 0.822 | 73% | 0.728 | S | S | * | * | trans | 62.5 | 102.5 | 169.6 | -54.6 | -162.4 | 133.9 | 0 | 0 | 117.6 | ||||
| 1788 | V | 26.3 | Very low | 26.3 | Very low | 128 Ų | 128 | 134.7 Ų | 134.7 | 78% | 0.776 | 72% | 0.723 | S | S | * | * | 59.6 | 110.9 | 55.4 | -172.5 | 0 | 0 | 0 | 0 | 112 | |||||
| 1789 | P | 28.7 | Very low | 26.6 | Very low | 101 Ų | 101 | 138.3 Ų | 138.3 | 66% | 0.656 | 73% | 0.732 | S | S | * | * | -149.3 | 147.8 | 103.4 | 37.7 | -21.4 | 0 | 0 | 0 | 117.1 | |||||
| 1790 | H | 28.3 | Very low | 26.6 | Very low | 162 Ų | 162 | 138.1 Ų | 138.1 | 75% | 0.75 | 72% | 0.72 | S | S | * | * | trans | 62.5 | 157.8 | 141.5 | -63.8 | -21.5 | 0 | 0 | 0 | 120.4 | ||||
| 1791 | H | 26.4 | Very low | 26.6 | Very low | 150 Ų | 150 | 138.2 Ų | 138.2 | 69% | 0.694 | 72% | 0.716 | S | S | * | * | cis | -161.6 | 133.1 | -36.9 | -126.5 | -42.7 | 0 | 0 | 0 | 108.9 | ||||
| 1792 | S | 22.9 | Very low | 26.4 | Very low | 87 Ų | 87 | 146.5 Ų | 146.5 | 61% | 0.608 | 73% | 0.728 | S | S | * | * | trans | 59.6 | 160 | 141.3 | 74.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1793 | I | 27.8 | Very low | 26.2 | Very low | 167 Ų | 167 | 141.4 Ų | 141.4 | 86% | 0.856 | 72% | 0.722 | S | S | * | * | trans | 69.6 | 121.9 | 159.9 | -56.6 | 157.3 | 0 | 0 | 0 | 117.7 | ||||
| 1794 | G | 25.9 | Very low | 26 | Very low | 59 Ų | 59 | 140.3 Ų | 140.3 | 61% | 0.608 | 72% | 0.724 | S | S | * | * | trans | 115 | 109.7 | 137 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1795 | T | 27.6 | Very low | 26 | Very low | 122 Ų | 122 | 139 Ų | 139 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | 49.3 | 107.9 | 127.6 | 50 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 1796 | D | 26.5 | Very low | 26 | Very low | 136 Ų | 136 | 138.2 Ų | 138.2 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | 106.4 | 145.3 | 117.6 | -61.6 | -18.5 | 0 | 0 | 0 | 124.1 | |||||
| 1797 | H | 29.7 | Very low | 26.3 | Very low | 150 Ų | 150 | 135.7 Ų | 135.7 | 69% | 0.694 | 72% | 0.724 | S | S | * | * | trans | 85.2 | 88.4 | 159.4 | -61.7 | -52.5 | 0 | 0 | 0 | 123.3 | ||||
| 1798 | H | 29 | Very low | 26.1 | Very low | 130 Ų | 130 | 136.5 Ų | 136.5 | 60% | 0.602 | 73% | 0.725 | S | S | * | * | trans | 65.5 | 150.1 | 134.8 | -52.1 | -54.1 | 0 | 0 | 0 | 120.7 | ||||
| 1799 | H | 30.3 | Very low | 26.2 | Very low | 184 Ų | 184 | 137.8 Ų | 137.8 | 85% | 0.852 | 73% | 0.726 | S | S | * | * | cis | -124.5 | 170.9 | 16.1 | -85.4 | -92.8 | 0 | 0 | 0 | 115.4 | ||||
| 1800 | H | 28.4 | Very low | 26.2 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 63% | 0.63 | 73% | 0.728 | S | S | * | * | trans | -94 | 171.8 | -166.6 | -81.8 | -108.5 | 0 | 0 | 0 | 115.1 | ||||
| 1801 | Q | 25.4 | Very low | 26.1 | Very low | 148 Ų | 148 | 136.6 Ų | 136.6 | 69% | 0.692 | 72% | 0.721 | S | S | * | * | cis | -174.1 | 145 | -34.5 | -115.9 | -175.4 | -4.3 | 0 | 0 | 111 | ||||
| 1802 | R | 22.7 | Very low | 26 | Very low | 238 Ų | 238 | 136 Ų | 136 | 90% | 0.898 | 72% | 0.724 | S | S | * | * | trans | 41.7 | -170.6 | 131.1 | -90.8 | -174.6 | -179 | -176.8 | 1.6 | 122.8 | ||||
| 1803 | S | 20.2 | Very low | 26.3 | Very low | 96 Ų | 96 | 140.5 Ų | 140.5 | 67% | 0.671 | 73% | 0.729 | S | S | * | * | trans | -127.7 | 161.5 | -153.1 | 58.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1804 | S | 22.5 | Very low | 26.3 | Very low | 98 Ų | 98 | 140.9 Ų | 140.9 | 69% | 0.685 | 72% | 0.719 | S | S | * | * | trans | 68.2 | 128 | 147.3 | 53.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1805 | T | 23.4 | Very low | 26.5 | Very low | 117 Ų | 117 | 142 Ų | 142 | 72% | 0.718 | 71% | 0.711 | S | S | * | * | trans | 74.7 | 108.5 | 145.3 | 43.8 | 0 | 0 | 0 | 0 | 123 | ||||
| 1806 | I | 25 | Very low | 26.6 | Very low | 151 Ų | 151 | 140.6 Ų | 140.6 | 77% | 0.774 | 70% | 0.699 | S | S | * | * | 60.7 | 127.2 | 117.3 | -70.3 | 174.5 | 0 | 0 | 0 | 117.8 | |||||
| 1807 | P | 28.7 | Very low | 26.7 | Very low | 114 Ų | 114 | 140.4 Ų | 140.4 | 74% | 0.74 | 69% | 0.694 | S | S | * | * | -146.7 | 166.4 | 56.7 | 39.9 | -20.5 | 0 | 0 | 0 | 120.5 | |||||
| 1808 | K | 22.6 | Very low | 26.7 | Very low | 193 Ų | 193 | 142.2 Ų | 142.2 | 84% | 0.839 | 70% | 0.696 | S | S | * | * | trans | 7.4 | 163.7 | 144 | -55.3 | 177.8 | 177 | 178.2 | 0 | 121.9 | ||||
| 1809 | I | 28.4 | Very low | 26.5 | Very low | 155 Ų | 155 | 142 Ų | 142 | 80% | 0.795 | 70% | 0.7 | S | S | * | * | trans | 111 | 134.7 | 153.5 | -64.9 | 171.4 | 0 | 0 | 0 | 113.8 | ||||
| 1810 | I | 28.2 | Very low | 26.4 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 70% | 0.703 | 69% | 0.692 | S | S | * | * | cis | -164.9 | 161.2 | -31.4 | -141.7 | 165.5 | 0 | 0 | 0 | 109 | ||||
| 1811 | T | 27.2 | Very low | 26.2 | Very low | 100 Ų | 100 | 137.8 Ų | 137.8 | 61% | 0.613 | 69% | 0.689 | S | S | * | * | trans | 46.1 | 111.7 | 166.1 | 57.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1812 | D | 24.2 | Very low | 26.2 | Very low | 139 Ų | 139 | 138.7 Ų | 138.7 | 74% | 0.743 | 69% | 0.688 | S | S | * | * | 49.2 | 138.5 | 108.2 | -51 | -49.3 | 0 | 0 | 0 | 121.4 | |||||
| 1813 | Y | 28 | Very low | 26.4 | Very low | 181 Ų | 181 | 135.5 Ų | 135.5 | 71% | 0.71 | 68% | 0.683 | S | S | * | * | -166.1 | 118.1 | 104.5 | -124.6 | -113.5 | 0 | 0 | 0 | 113.8 | |||||
| 1814 | R | 29.1 | Very low | 26.6 | Very low | 174 Ų | 174 | 136.2 Ų | 136.2 | 66% | 0.657 | 68% | 0.675 | S | S | * | * | trans | 63.4 | 148.3 | 157.3 | -67.8 | -172.7 | 174.5 | 149.9 | 2.4 | 117.8 | I1879 | R1814-I1879 WeakPolarHBondContact O-CD1 3.4Š| ||
| 1815 | N | 29.4 | Very low | 26.8 | Very low | 84 Ų | 84 | 139 Ų | 139 | 45% | 0.449 | 68% | 0.675 | S | S | . | * | cis | -156.6 | 140.2 | 8.1 | -125.3 | 12.2 | 0 | 0 | 0 | 110.3 | I1879 | N1815-I1879 HydrophobicContact CB-CD1 4.38Š| ||
| 1816 | N | 30.1 | Very low | 26.8 | Very low | 91 Ų | 91 | 143.2 Ų | 143.2 | 49% | 0.487 | 68% | 0.678 | S | S | . | * | trans | 58.2 | 139.1 | 137.3 | -64.5 | 8.8 | 0 | 0 | 0 | 122 | ||||
| 1817 | Q | 29.1 | Very low | 26.9 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 62% | 0.621 | 67% | 0.671 | S | S | * | * | cis | -169.7 | 153.5 | -6.1 | -122.4 | 166.1 | -20.5 | 0 | 0 | 112.7 | ||||
| 1818 | Y | 29.1 | Very low | 26.6 | Very low | 187 Ų | 187 | 143.5 Ų | 143.5 | 73% | 0.733 | 67% | 0.666 | S | S | * | * | trans | 58.3 | 138.3 | 164.9 | -63.8 | -73.5 | 0 | 0 | 0 | 119 | ||||
| 1819 | D | 25.6 | Very low | 26.8 | Very low | 127 Ų | 127 | 145.4 Ų | 145.4 | 68% | 0.679 | 67% | 0.668 | S | S | * | * | cis | 64.5 | 146.3 | 41.8 | -91.4 | 4.8 | 0 | 0 | 0 | 113.7 | ||||
| 1820 | Q | 27.3 | Very low | 26.6 | Very low | 147 Ų | 147 | 146.1 Ų | 146.1 | 69% | 0.687 | 67% | 0.667 | S | S | * | * | cis | -143.4 | 154.4 | -5.6 | -91.7 | 144.7 | 33.7 | 0 | 0 | 105.6 | ||||
| 1821 | S | 23.5 | Very low | 26.3 | Very low | 83 Ų | 83 | 149.9 Ų | 149.9 | 58% | 0.58 | 67% | 0.674 | S | S | * | * | cis | 87.8 | 144.9 | 30.5 | 92.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1822 | Y | 26 | Very low | 26.3 | Very low | 167 Ų | 167 | 154 Ų | 154 | 66% | 0.655 | 69% | 0.686 | S | S | * | * | trans | 69.8 | 149.1 | -175.5 | -61.2 | -97.1 | 0 | 0 | 0 | 115.6 | Q1824 | Y1822-Q1824 HydrophobicContact CD1-CB 4.01Å; Y1822-Q1824 HydrophobicContact CD1-CG 4.25Å; Y1822-Q1824 HydrophobicContact CE1-CG 4.38Å | ||
| 1823 | H | 27.4 | Very low | 26.3 | Very low | 171 Ų | 171 | 152.4 Ų | 152.4 | 79% | 0.792 | 68% | 0.681 | S | S | * | * | cis | -117.6 | 150.2 | 13.9 | -101.1 | -100.3 | 0 | 0 | 0 | 111.8 | ||||
| 1824 | Q | 24.2 | Very low | 26.1 | Very low | 111 Ų | 111 | 152.6 Ų | 152.6 | 52% | 0.519 | 69% | 0.686 | S | S | . | * | cis | 63.8 | 119.2 | 23.4 | -94.9 | -160.9 | 35.3 | 0 | 0 | 115.2 | Y1822 | Y1822-Q1824 HydrophobicContact CD1-CB 4.01Å; Y1822-Q1824 HydrophobicContact CD1-CG 4.25Å; Y1822-Q1824 HydrophobicContact CE1-CG 4.38Å | ||
| 1825 | K | 27 | Very low | 25.8 | Very low | 157 Ų | 157 | 149.8 Ų | 149.8 | 68% | 0.683 | 69% | 0.693 | S | S | * | * | cis | -150.1 | 157.5 | 33 | -84.4 | 140.4 | 174.9 | 165.8 | 0 | 108.2 | ||||
| 1826 | R | 22.7 | Very low | 25.7 | Very low | 205 Ų | 205 | 149 Ų | 149 | 77% | 0.774 | 71% | 0.706 | S | S | * | * | cis | 81.6 | 132.5 | 41.9 | -160 | -169.9 | -157.4 | -178.2 | 8.5 | 114.2 | ||||
| 1827 | H | 26.9 | Very low | 25.3 | Very low | 137 Ų | 137 | 152.3 Ų | 152.3 | 63% | 0.634 | 72% | 0.723 | S | S | * | * | trans | 114.2 | 117.6 | 168.2 | -63.2 | -65.9 | 0 | 0 | 0 | 113.6 | ||||
| 1828 | Q | 22.7 | Very low | 25.2 | Very low | 135 Ų | 135 | 153.1 Ų | 153.1 | 63% | 0.631 | 73% | 0.73 | S | S | * | * | cis | 83.1 | 110.8 | 43 | -71.9 | -176.8 | -43.7 | 0 | 0 | 115.1 | ||||
| 1829 | R | 26.2 | Very low | 24.9 | Very low | 233 Ų | 233 | 151 Ų | 151 | 88% | 0.879 | 73% | 0.73 | S | S | * | * | 176.7 | 115.2 | 127.4 | -93.3 | 155.9 | -175.2 | -158.3 | 0.3 | 107.1 | |||||
| 1830 | H | 25.5 | Very low | 24.9 | Very low | 170 Ų | 170 | 153.5 Ų | 153.5 | 79% | 0.787 | 74% | 0.736 | S | S | * | * | 83.6 | 137.7 | 76.2 | -83.3 | -60 | 0 | 0 | 0 | 113.8 | |||||
| 1831 | Y | 22.4 | Very low | 24.7 | Very low | 216 Ų | 216 | 152.8 Ų | 152.8 | 85% | 0.847 | 74% | 0.737 | S | S | * | * | trans | -83.3 | 159.9 | -169.7 | -69.3 | -102.7 | 0 | 0 | 0 | 113.2 | ||||
| 1832 | H | 27.1 | Very low | 24.8 | Very low | 187 Ų | 187 | 155 Ų | 155 | 87% | 0.866 | 74% | 0.737 | S | S | * | * | -142.2 | 152.3 | 129.7 | -113.4 | -85 | 0 | 0 | 0 | 111.4 | |||||
| 1833 | T | 23.7 | Very low | 24.8 | Very low | 104 Ų | 104 | 154.8 Ų | 154.8 | 64% | 0.638 | 74% | 0.735 | S | S | * | * | trans | -90.3 | 177.4 | -176.5 | 47.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1834 | F | 22.8 | Very low | 24.7 | Very low | 185 Ų | 185 | 150.5 Ų | 150.5 | 81% | 0.811 | 72% | 0.718 | S | S | * | * | cis | -165.1 | 162.7 | 31.4 | -141.5 | -74.1 | 0 | 0 | 0 | 112.3 | ||||
| 1835 | S | 24.4 | Very low | 24.7 | Very low | 115 Ų | 115 | 151.6 Ų | 151.6 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | trans | 73.1 | 157.8 | 157.8 | 78.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1836 | G | 25.8 | Very low | 24.5 | Very low | 69 Ų | 69 | 150.5 Ų | 150.5 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | trans | 140.9 | 16.1 | 145.4 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1837 | N | 22.6 | Very low | 24.6 | Very low | 160 Ų | 160 | 150.1 Ų | 150.1 | 86% | 0.856 | 73% | 0.734 | S | S | * | * | trans | 52.4 | 160.7 | 154.1 | -93.3 | -10 | 0 | 0 | 0 | 123.2 | ||||
| 1838 | I | 27.1 | Very low | 24.5 | Very low | 150 Ų | 150 | 151 Ų | 151 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | trans | 75.2 | 96.7 | 159.3 | -62.3 | 152.9 | 0 | 0 | 0 | 119 | ||||
| 1839 | L | 22.1 | Very low | 24.5 | Very low | 141 Ų | 141 | 152.5 Ų | 152.5 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | 47 | 109.2 | 113.6 | -152.5 | 82.2 | 0 | 0 | 0 | 120.5 | |||||
| 1840 | F | 25.7 | Very low | 24.3 | Very low | 181 Ų | 181 | 145.7 Ų | 145.7 | 79% | 0.794 | 73% | 0.733 | S | S | * | * | -172.3 | 178.7 | 111.4 | -122.5 | -95.4 | 0 | 0 | 0 | 115.1 | |||||
| 1841 | N | 23 | Very low | 24.2 | Very low | 131 Ų | 131 | 146 Ų | 146 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | trans | -101.1 | 177.3 | -174.5 | -87.6 | -75.3 | 0 | 0 | 0 | 114.4 | ||||
| 1842 | H | 24.7 | Very low | 24.3 | Very low | 129 Ų | 129 | 140.7 Ų | 140.7 | 60% | 0.597 | 72% | 0.722 | S | S | * | * | trans | 88.9 | 149.3 | 164 | -66 | -53.1 | 0 | 0 | 0 | 117.2 | ||||
| 1843 | R | 26.6 | Very low | 24.1 | Very low | 163 Ų | 163 | 137.5 Ų | 137.5 | 62% | 0.615 | 71% | 0.712 | S | S | * | * | cis | -154.8 | 155.1 | 4.8 | -127.2 | 170.3 | -175.8 | -140.9 | -0.3 | 111.4 | ||||
| 1844 | L | 25.8 | Very low | 24.4 | Very low | 82 Ų | 82 | 141.1 Ų | 141.1 | 43% | 0.429 | 72% | 0.719 | S | S | . | * | trans | 42.8 | 124.2 | 146.2 | -64.3 | 164.1 | 0 | 0 | 0 | 120.9 | S590 | S590-L1844 WeakPolarHBondContact OG-CD2 3.48Š| ||
| 1845 | L | 23.5 | Very low | 24.5 | Very low | 133 Ų | 133 | 137.7 Ų | 137.7 | 70% | 0.696 | 71% | 0.709 | S | S | * | * | 76.6 | 122.4 | 63.8 | -74 | -167.3 | 0 | 0 | 0 | 116.5 | |||||
| 1846 | I | 24.3 | Very low | 24.4 | Very low | 134 Ų | 134 | 139.7 Ų | 139.7 | 69% | 0.687 | 71% | 0.711 | S | S | * | * | trans | 63.5 | 112 | 142.9 | -58.8 | 165.2 | 0 | 0 | 0 | 117.7 | ||||
| 1847 | Q | 24.6 | Very low | 24.4 | Very low | 198 Ų | 198 | 145 Ų | 145 | 93% | 0.925 | 72% | 0.717 | S | S | * | * | -138.8 | 173.2 | 112 | -124.7 | 173.2 | -4.4 | 0 | 0 | 112 | |||||
| 1848 | H | 23.3 | Very low | 24.4 | Very low | 155 Ų | 155 | 142.6 Ų | 142.6 | 72% | 0.718 | 71% | 0.708 | S | S | * | * | trans | -129.7 | 166.1 | -157.3 | -137.3 | -69 | 0 | 0 | 0 | 108.9 | ||||
| 1849 | Q | 23 | Very low | 24.2 | Very low | 166 Ų | 166 | 141.7 Ų | 141.7 | 78% | 0.776 | 71% | 0.705 | S | S | * | * | trans | 70.2 | 153.6 | 160.7 | -72 | 167.6 | -23.7 | 0 | 0 | 115.3 | ||||
| 1850 | S | 23.3 | Very low | 24.3 | Very low | 90 Ų | 90 | 140.8 Ų | 140.8 | 63% | 0.629 | 70% | 0.701 | S | S | * | * | cis | -176.1 | 152.6 | -13.9 | 49.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1851 | K | 23.1 | Very low | 24.1 | Very low | 176 Ų | 176 | 139.5 Ų | 139.5 | 77% | 0.765 | 70% | 0.698 | S | S | * | * | trans | 63.6 | 158.4 | 149 | -73.4 | -175.5 | 175.5 | -168.8 | 0 | 116.2 | ||||
| 1852 | T | 24.2 | Very low | 24.3 | Very low | 105 Ų | 105 | 138.5 Ų | 138.5 | 64% | 0.644 | 70% | 0.7 | S | S | * | * | cis | -155.4 | 156 | -1.4 | 6.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 1853 | N | 22.5 | Very low | 24.2 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 65% | 0.647 | 71% | 0.713 | S | S | * | * | trans | 34.5 | 138.3 | 146.6 | -54.4 | 16.6 | 0 | 0 | 0 | 121 | ||||
| 1854 | F | 29.1 | Very low | 24.2 | Very low | 179 Ų | 179 | 134.1 Ų | 134.1 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | -170 | 118.1 | 92.9 | -110.4 | -89.7 | 0 | 0 | 0 | 111.8 | |||||
| 1855 | D | 25.7 | Very low | 24.3 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 60% | 0.604 | 74% | 0.735 | S | S | * | * | trans | 47 | 114.5 | 136 | -51.5 | 12.4 | 0 | 0 | 0 | 122.2 | ||||
| 1856 | D | 22.7 | Very low | 24.4 | Very low | 158 Ų | 158 | 138.4 Ų | 138.4 | 85% | 0.845 | 73% | 0.734 | S | S | * | * | 49.3 | 170 | 108.2 | -67.6 | -9 | 0 | 0 | 0 | 124.5 | |||||
| 1857 | E | 25.6 | Very low | 24.5 | Very low | 179 Ų | 179 | 138.4 Ų | 138.4 | 84% | 0.836 | 75% | 0.745 | S | S | * | * | trans | 78.8 | 109.1 | -175.2 | -56.5 | -162.6 | 158.4 | 0 | 0 | 116.1 | ||||
| 1858 | T | 22.6 | Very low | 24.6 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | cis | 103.9 | 141.2 | 25.7 | 75.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1859 | N | 23 | Very low | 24.5 | Very low | 131 Ų | 131 | 134.7 Ų | 134.7 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | trans | 74.4 | 122.8 | 156.6 | -60.7 | -18.4 | 0 | 0 | 0 | 122 | ||||
| 1860 | N | 23 | Very low | 24.5 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 66% | 0.658 | 74% | 0.743 | S | S | * | * | 73.4 | 148.1 | 128.5 | -66.7 | 20.5 | 0 | 0 | 0 | 119.4 | |||||
| 1861 | E | 22.9 | Very low | 24.6 | Very low | 153 Ų | 153 | 138 Ų | 138 | 72% | 0.715 | 75% | 0.754 | S | S | * | * | cis | -161.2 | 176.5 | -6.5 | -125.8 | 169.4 | -170 | 0 | 0 | 111.3 | ||||
| 1862 | C | 26.7 | Very low | 25.2 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 75% | 0.75 | 76% | 0.759 | S | S | * | * | trans | 66.2 | 161 | 158.6 | -74.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1863 | C | 22.3 | Very low | 25.2 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 87% | 0.865 | 76% | 0.761 | S | S | * | * | cis | -168.2 | 141 | -45.3 | -126 | 0 | 0 | 0 | 0 | 109 | ||||
| 1864 | G | 26.4 | Very low | 25.4 | Very low | 71 Ų | 71 | 136.2 Ų | 136.2 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | trans | 103.7 | 147.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1865 | K | 27.6 | Very low | 25.2 | Very low | 182 Ų | 182 | 135.5 Ų | 135.5 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | cis | -156.6 | 149.8 | -1.2 | -122.4 | -176.5 | 166.8 | -166.7 | 0 | 113.5 | ||||
| 1866 | D | 26.5 | Very low | 25.3 | Very low | 124 Ų | 124 | 141 Ų | 141 | 66% | 0.663 | 78% | 0.78 | S | S | * | * | trans | 61.8 | 121.1 | 149.4 | -55.5 | -29.4 | 0 | 0 | 0 | 122.7 | ||||
| 1867 | S | 25.7 | Very low | 25.6 | Very low | 133 Ų | 133 | 138.2 Ų | 138.2 | 93% | 0.93 | 77% | 0.771 | S | S | * | * | trans | 83.5 | 154.6 | 147.4 | 82.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1868 | G | 26.6 | Very low | 25.5 | Very low | 79 Ų | 79 | 132.7 Ų | 132.7 | 81% | 0.814 | 76% | 0.756 | S | S | * | * | trans | 128.8 | 66 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1869 | K | 22.5 | Very low | 25.7 | Very low | 196 Ų | 196 | 132.7 Ų | 132.7 | 85% | 0.852 | 75% | 0.751 | S | S | * | * | trans | -81.8 | 141.5 | 171.4 | -76 | -176.9 | 179.9 | 176.3 | 0 | 112 | ||||
| 1870 | S | 22.6 | Very low | 26.2 | Very low | 100 Ų | 100 | 131.7 Ų | 131.7 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 69.2 | 167.5 | 142.9 | 79.4 | 0 | 0 | 0 | 0 | 119.6 | ||
| 1871 | R | 26 | Very low | 26.6 | Very low | 226 Ų | 226 | 131.1 Ų | 131.1 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | trans | 43.7 | 91.8 | 150 | -70.4 | 175.9 | 176.1 | 175.2 | -1.1 | 116.9 | P1873 | R1871-P1873 WeakPolarHBondContact O-CD 3.3Š| ||
| 1872 | I | 35 | Very low | 26.6 | Very low | 172 Ų | 172 | 128.7 Ų | 128.7 | 88% | 0.882 | 74% | 0.74 | S | S | * | * | trans | -38.6 | 112.2 | 142.4 | -58.2 | 153.9 | 0 | 0 | 0 | 109.5 | ||||
| 1873 | P | 24.7 | Very low | 26.6 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | -125.9 | 140.5 | 103.7 | 35.9 | -29 | 0 | 0 | 0 | 110.9 | R1871 | R1871-P1873 WeakPolarHBondContact O-CD 3.3Š| |||
| 1874 | A | 27 | Very low | 26.7 | Very low | 87 Ų | 87 | 133.7 Ų | 133.7 | 72% | 0.719 | 74% | 0.735 | S | S | * | * | 67.6 | 87.3 | 68.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1875 | L | 23.8 | Very low | 26.6 | Very low | 165 Ų | 165 | 136.6 Ų | 136.6 | 86% | 0.864 | 73% | 0.733 | S | S | * | * | trans | -161.3 | 136.8 | 155 | -118.1 | 74.4 | 0 | 0 | 0 | 103.4 | ||||
| 1876 | W | 28.3 | Very low | 26.4 | Very low | 227 Ų | 227 | 133.9 Ų | 133.9 | 86% | 0.86 | 73% | 0.725 | S | S | * | * | cis | 65.7 | 111.1 | 25.3 | -121.3 | -11 | 0 | 0 | 0 | 114 | A1878 | W1876-A1878 VanDerWaalsContact CD1-N 3.34Š| ||
| 1877 | P | 28.3 | Very low | 26.2 | Very low | 101 Ų | 101 | 134 Ų | 134 | 66% | 0.656 | 73% | 0.726 | S | S | * | * | -99.7 | 130.1 | 112.6 | 29.2 | -33.9 | 0 | 0 | 0 | 108.9 | |||||
| 1878 | A | 24 | Very low | 26.1 | Very low | 62 Ų | 62 | 132.3 Ų | 132.3 | 51% | 0.512 | 71% | 0.714 | S | S | . | * | 62.1 | 143.7 | 70.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | W1876 | W1876-A1878 VanDerWaalsContact CD1-N 3.34Š| |||
| 1879 | I | 26.7 | Very low | 26 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 56% | 0.564 | 71% | 0.706 | S | S | * | * | cis | -128.7 | 137 | 28.3 | -78.6 | 165.2 | 0 | 0 | 0 | 113.1 | R1814 N1815 | R1814-I1879 WeakPolarHBondContact O-CD1 3.4Å; N1815-I1879 HydrophobicContact CB-CD1 4.38Å | ||
| 1880 | N | 34.4 | Very low | 26 | Very low | 111 Ų | 111 | 133 Ų | 133 | 59% | 0.594 | 70% | 0.702 | S | S | * | * | trans | -102.4 | 123 | 162.8 | 170.7 | 41.9 | 0 | 0 | 0 | 108.3 | N1882 | N1880-N1882 VanDerWaalsContact CG-N 3.29Å; N1880-N1882 PolarHBondContact ND2-N 3.4Å; N1880-N1882 PolarHBondContact O-ND2 3.02Å; N1880-N1882 PolarHBondContact OD1-N 3.36Å | ||
| 1881 | P | 30.3 | Very low | 26.2 | Very low | 111 Ų | 111 | 132 Ų | 132 | 72% | 0.721 | 70% | 0.7 | S | S | * | * | trans | -93.2 | 88.7 | 147.6 | 31.2 | -21.4 | 0 | 0 | 0 | 106.8 | ||||
| 1882 | N | 23.8 | Very low | 26.1 | Very low | 101 Ų | 101 | 128.1 Ų | 128.1 | 54% | 0.54 | 70% | 0.695 | S | S | . | * | 52.3 | 126.4 | 91 | -76.8 | -58.7 | 0 | 0 | 0 | 112.8 | N1880 | N1880-N1882 VanDerWaalsContact CG-N 3.29Å; N1880-N1882 PolarHBondContact ND2-N 3.4Å; N1880-N1882 PolarHBondContact O-ND2 3.02Å; N1880-N1882 PolarHBondContact OD1-N 3.36Å | |||
| 1883 | N | 26.6 | Very low | 25.5 | Very low | 136 Ų | 136 | 126.4 Ų | 126.4 | 73% | 0.727 | 69% | 0.688 | S | S | * | * | 51.3 | 132.5 | 80.4 | -85.2 | -43.1 | 0 | 0 | 0 | 111 | |||||
| 1884 | R | 24.8 | Very low | 25.4 | Very low | 208 Ų | 208 | 126.5 Ų | 126.5 | 79% | 0.785 | 69% | 0.692 | S | S | * | * | cis | -174.8 | -176.8 | 47.3 | -139.9 | 170.8 | -174.1 | -177.3 | 2.1 | 108.3 | ||||
| 1885 | I | 23.9 | Very low | 25.2 | Very low | 133 Ų | 133 | 127.1 Ų | 127.1 | 68% | 0.682 | 69% | 0.691 | S | S | * | * | trans | 75 | 132 | 143.7 | -80.9 | 165.6 | 0 | 0 | 0 | 116.5 | ||||
| 1886 | I | 24 | Very low | 25.4 | Very low | 124 Ų | 124 | 126.1 Ų | 126.1 | 64% | 0.636 | 68% | 0.684 | S | S | * | * | cis | -167.5 | 165.1 | -11.3 | -150.1 | -179 | 0 | 0 | 0 | 111.1 | ||||
| 1887 | N | 22 | Very low | 25 | Very low | 127 Ų | 127 | 121.2 Ų | 121.2 | 68% | 0.679 | 68% | 0.675 | S | S | * | * | trans | 63.9 | 117.1 | 155.5 | -72 | -10.2 | 0 | 0 | 0 | 117.9 | ||||
| 1888 | S | 22.8 | Very low | 24.8 | Very low | 97 Ų | 97 | 122.5 Ų | 122.5 | 68% | 0.678 | 68% | 0.677 | S | S | * | * | 107.3 | 163.7 | 68.7 | 78.8 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 1889 | I | 24.1 | Very low | 24.6 | Very low | 125 Ų | 125 | 126.4 Ų | 126.4 | 64% | 0.641 | 69% | 0.689 | S | S | * | * | cis | -156.7 | 151.1 | 8.7 | -148.6 | 159.9 | 0 | 0 | 0 | 109.9 | ||||
| 1890 | Q | 23.4 | Very low | 24.4 | Very low | 165 Ų | 165 | 127.6 Ų | 127.6 | 77% | 0.771 | 70% | 0.695 | S | S | * | * | trans | 60.7 | 167.3 | 163.7 | -71.8 | 151.7 | 1.6 | 0 | 0 | 116.3 | ||||
| 1891 | A | 26.7 | Very low | 23.8 | Very low | 80 Ų | 80 | 126.7 Ų | 126.7 | 66% | 0.661 | 70% | 0.698 | S | S | * | * | cis | -129.7 | 145.8 | 9.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1892 | L | 24.1 | Very low | 23.6 | Very low | 143 Ų | 143 | 127.8 Ų | 127.8 | 75% | 0.749 | 70% | 0.703 | S | S | * | * | 55.4 | 137.8 | 88.1 | -61.6 | 168.7 | 0 | 0 | 0 | 114.5 | |||||
| 1893 | N | 21.9 | Very low | 23.5 | Very low | 136 Ų | 136 | 131.2 Ų | 131.2 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | cis | -170.4 | -179.7 | -18.8 | -156.9 | -3.8 | 0 | 0 | 0 | 108.1 | ||||
| 1894 | S | 23.7 | Very low | 23.4 | Very low | 108 Ų | 108 | 127.5 Ų | 127.5 | 76% | 0.755 | 71% | 0.714 | S | S | * | * | trans | 69.2 | 157.4 | 158.5 | 76 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1895 | S | 22.1 | Very low | 23.4 | Very low | 100 Ų | 100 | 125.1 Ų | 125.1 | 70% | 0.699 | 71% | 0.711 | S | S | * | * | cis | -171.9 | 175.8 | -30.2 | -167 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1896 | I | 26.6 | Very low | 23.4 | Very low | 143 Ų | 143 | 128 Ų | 128 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | trans | 69.5 | 100 | 154.6 | -74 | 150.8 | 0 | 0 | 0 | 118 | ||||
| 1897 | N | 21.8 | Very low | 23.3 | Very low | 125 Ų | 125 | 125.8 Ų | 125.8 | 67% | 0.668 | 71% | 0.709 | S | S | * | * | 54.6 | 142.9 | 105.6 | -90.7 | 50.2 | 0 | 0 | 0 | 123.4 | |||||
| 1898 | D | 22.5 | Very low | 23.4 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 68% | 0.684 | 72% | 0.72 | S | S | * | * | trans | 78.7 | 100.2 | 139.2 | -56.6 | -15.7 | 0 | 0 | 0 | 121.7 | ||||
| 1899 | D | 21.4 | Very low | 23.7 | Very low | 143 Ų | 143 | 129.7 Ų | 129.7 | 77% | 0.765 | 72% | 0.72 | S | S | * | * | 83.9 | 144.8 | 117.8 | -109.3 | -11 | 0 | 0 | 0 | 124.5 | |||||
| 1900 | L | 21.9 | Very low | 23.9 | Very low | 135 Ų | 135 | 128.7 Ų | 128.7 | 71% | 0.707 | 72% | 0.724 | S | S | * | * | trans | 48.2 | 105 | 148.3 | -77.4 | 160.3 | 0 | 0 | 0 | 122.3 | ||||
| 1901 | S | 21.4 | Very low | 24 | Very low | 93 Ų | 93 | 129.7 Ų | 129.7 | 65% | 0.65 | 73% | 0.726 | S | S | * | * | 75.9 | 110.9 | 125.7 | 68.9 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 1902 | T | 25.4 | Very low | 23.8 | Very low | 134 Ų | 134 | 130.8 Ų | 130.8 | 82% | 0.822 | 73% | 0.727 | S | S | * | * | 41.3 | 97.7 | 119.6 | -29.7 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 1903 | I | 23.4 | Very low | 23.9 | Very low | 172 Ų | 172 | 131.3 Ų | 131.3 | 88% | 0.882 | 73% | 0.726 | S | S | * | * | trans | -175.8 | 136.4 | 130.6 | -93 | 146 | 0 | 0 | 0 | 105.3 | ||||
| 1904 | G | 23.6 | Very low | 24.1 | Very low | 59 Ų | 59 | 131.7 Ų | 131.7 | 61% | 0.608 | 72% | 0.721 | S | S | * | * | cis | 137.4 | 161.4 | 8.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1905 | H | 24.4 | Very low | 24.3 | Very low | 157 Ų | 157 | 134 Ų | 134 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | trans | 67.2 | 151.8 | -175.2 | -69 | -19.1 | 0 | 0 | 0 | 114.7 | ||||
| 1906 | R | 24.4 | Very low | 24.6 | Very low | 194 Ų | 194 | 134.2 Ų | 134.2 | 73% | 0.732 | 72% | 0.717 | S | S | * | * | cis | -156.7 | 163.6 | -8.7 | -107.3 | 158 | -161.5 | -165.5 | 8.3 | 106.5 | ||||
| 1907 | S | 22.4 | Very low | 24.6 | Very low | 78 Ų | 78 | 134.7 Ų | 134.7 | 55% | 0.545 | 72% | 0.716 | S | S | . | * | cis | 169.3 | 170.4 | -26.2 | 63.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1908 | R | 23.7 | Very low | 24.9 | Very low | 240 Ų | 240 | 134.9 Ų | 134.9 | 91% | 0.906 | 71% | 0.713 | S | S | * | * | trans | 66.9 | 108.5 | 152.7 | -68.6 | 168.7 | 174.6 | 178.4 | -2.8 | 117.7 | ||||
| 1909 | G | 29.7 | Very low | 25 | Very low | 66 Ų | 66 | 134.6 Ų | 134.6 | 68% | 0.68 | 71% | 0.708 | S | S | * | * | trans | -178.3 | 75.8 | 159.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1910 | S | 27.2 | Very low | 25.2 | Very low | 104 Ų | 104 | 136.8 Ų | 136.8 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | 59 | 126.2 | 90.8 | 72.2 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1911 | K | 26.1 | Very low | 25.3 | Very low | 186 Ų | 186 | 134.4 Ų | 134.4 | 81% | 0.809 | 70% | 0.701 | S | S | * | * | cis | -156.9 | 153.8 | 11.4 | -113.2 | 162.3 | -175.7 | 174.9 | 0 | 107.6 | ||||
| 1912 | C | 22.8 | Very low | 25.3 | Very low | 103 Ų | 103 | 135.2 Ų | 135.2 | 70% | 0.696 | 70% | 0.702 | S | S | * | * | 43.1 | 132.8 | 95.2 | -66.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1913 | Q | 26 | Very low | 25.2 | Very low | 153 Ų | 153 | 139.4 Ų | 139.4 | 72% | 0.715 | 71% | 0.705 | S | S | * | * | cis | -168.4 | 178.3 | 27 | -116.1 | 166.8 | 25.3 | 0 | 0 | 107.8 | ||||
| 1914 | K | 26.2 | Very low | 26 | Very low | 144 Ų | 144 | 136.3 Ų | 136.3 | 63% | 0.626 | 70% | 0.696 | S | S | * | * | cis | -163.3 | 142.5 | 20.6 | -133.3 | 165.7 | -177.7 | 167.2 | 0 | 110.9 | ||||
| 1915 | Q | 26.8 | Very low | 25.9 | Very low | 157 Ų | 157 | 139.2 Ų | 139.2 | 73% | 0.734 | 71% | 0.707 | S | S | * | * | trans | 61.1 | 143.3 | 143.2 | -72.9 | 170 | -51.8 | 0 | 0 | 119.5 | ||||
| 1916 | T | 28 | Very low | 25.8 | Very low | 105 Ų | 105 | 136 Ų | 136 | 64% | 0.644 | 71% | 0.707 | S | S | * | * | cis | -168.7 | 152.7 | 2.5 | 19.6 | 0 | 0 | 0 | 0 | 106 | ||||
| 1917 | Q | 27.6 | Very low | 25.7 | Very low | 152 Ų | 152 | 136.6 Ų | 136.6 | 71% | 0.71 | 71% | 0.71 | S | S | * | * | cis | -157.1 | 167.7 | 3 | -92.8 | 153.5 | -104.8 | 0 | 0 | 105.5 | ||||
| 1918 | Q | 27.4 | Very low | 25.8 | Very low | 129 Ų | 129 | 142 Ų | 142 | 60% | 0.603 | 72% | 0.72 | S | S | * | * | cis | -157.5 | 143.7 | -4 | -114.4 | 171.1 | -75.9 | 0 | 0 | 108 | ||||
| 1919 | Q | 24.9 | Very low | 25.8 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 57% | 0.57 | 71% | 0.708 | S | S | * | * | 56.7 | 136.9 | 99.4 | -61.9 | -177.7 | -20.9 | 0 | 0 | 116.7 | |||||
| 1920 | Y | 26.8 | Very low | 25.6 | Very low | 189 Ų | 189 | 137.9 Ų | 137.9 | 74% | 0.741 | 72% | 0.717 | S | S | * | * | cis | -161.1 | 159.3 | -7 | -89.1 | -35.9 | 0 | 0 | 0 | 106.7 | ||||
| 1921 | S | 23 | Very low | 25.5 | Very low | 85 Ų | 85 | 136.1 Ų | 136.1 | 59% | 0.594 | 72% | 0.715 | S | S | * | * | cis | 83.5 | 135.6 | 26 | 88.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1922 | T | 22.4 | Very low | 25.5 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 68% | 0.675 | 72% | 0.718 | S | S | * | * | cis | -169.8 | 163.3 | 7.8 | -3.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1923 | Y | 22.3 | Very low | 25.6 | Very low | 222 Ų | 222 | 142 Ų | 142 | 87% | 0.871 | 73% | 0.725 | S | S | * | * | trans | 68.3 | 162.8 | 156.6 | -73.6 | -67.1 | 0 | 0 | 0 | 121.6 | ||||
| 1924 | P | 40.4 | Very low | 25.7 | Very low | 108 Ų | 108 | 140.2 Ų | 140.2 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | trans | -119.4 | 174.6 | -173.3 | 43.7 | -34.5 | 0 | 0 | 0 | 116.9 | ||||
| 1925 | S | 21 | Very low | 26.2 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 84% | 0.839 | 73% | 0.729 | S | S | * | * | trans | 119.4 | 144 | 149.6 | 77.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1926 | A | 23.2 | Very low | 26.1 | Very low | 89 Ų | 89 | 138.3 Ų | 138.3 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | trans | 67.8 | 91.9 | 154 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1927 | R | 21.9 | Very low | 25.8 | Very low | 206 Ų | 206 | 143 Ų | 143 | 78% | 0.777 | 74% | 0.741 | S | S | * | * | 68.5 | 143.3 | 123.1 | -76.5 | -173.8 | 174.1 | -172.5 | 0.6 | 124.6 | |||||
| 1928 | Y | 24.6 | Very low | 25.6 | Very low | 193 Ų | 193 | 143.3 Ų | 143.3 | 76% | 0.757 | 74% | 0.742 | S | S | * | * | trans | 66 | 143.6 | 162.6 | -60 | -68.1 | 0 | 0 | 0 | 118 | ||||
| 1929 | S | 23.4 | Very low | 25.4 | Very low | 95 Ų | 95 | 145.2 Ų | 145.2 | 66% | 0.664 | 76% | 0.756 | S | S | * | * | cis | -169.9 | 163.8 | -19.9 | 50.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1930 | S | 25.4 | Very low | 25.3 | Very low | 124 Ų | 124 | 142.2 Ų | 142.2 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | trans | 77.9 | 135.7 | 167.6 | 78 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1931 | G | 25.3 | Very low | 25.2 | Very low | 66 Ų | 66 | 144.4 Ų | 144.4 | 68% | 0.68 | 77% | 0.765 | S | S | * | * | cis | -176.4 | 173.3 | -7.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1932 | H | 26.8 | Very low | 25.3 | Very low | 188 Ų | 188 | 149.2 Ų | 149.2 | 87% | 0.87 | 78% | 0.776 | S | S | * | * | trans | 70.6 | 150.1 | 176 | -66 | 26 | 0 | 0 | 0 | 115.5 | ||||
| 1933 | R | 23.9 | Very low | 25.6 | Very low | 224 Ų | 224 | 148.4 Ų | 148.4 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | cis | 144.2 | 150.1 | -16.4 | -105.2 | -163.9 | 176.2 | -157.7 | 4 | 106.9 | ||||
| 1934 | P | 28.8 | Very low | 25.9 | Very low | 116 Ų | 116 | 145.5 Ų | 145.5 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | -128.7 | -104.7 | -55.7 | 32.4 | -8.1 | 0 | 0 | 0 | 112.2 | |||||
| 1935 | P | 37.1 | Very low | 25.1 | Very low | 105 Ų | 105 | 147.3 Ų | 147.3 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | trans | -119.5 | -152.3 | -161.9 | 45.7 | -26.6 | 0 | 0 | 0 | 114.1 | ||||
| 1936 | L | 24 | Very low | 25.4 | Very low | 156 Ų | 156 | 149 Ų | 149 | 82% | 0.817 | 76% | 0.762 | S | S | * | * | trans | 100.3 | 132.8 | -177.6 | -58.4 | 160.5 | 0 | 0 | 0 | 112 | ||||
| 1937 | Y | 22.2 | Very low | 25.5 | Very low | 205 Ų | 205 | 151.3 Ų | 151.3 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | 81 | 136.8 | 56.2 | -110.4 | -84.2 | 0 | 0 | 0 | 114.5 | |||||
| 1938 | Q | 22 | Very low | 26 | Very low | 158 Ų | 158 | 145.7 Ų | 145.7 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | trans | -44.6 | 129.9 | -167.3 | -60.6 | 160.8 | -76.1 | 0 | 0 | 117.6 | ||||
| 1939 | D | 24.2 | Very low | 26 | Very low | 168 Ų | 168 | 144.9 Ų | 144.9 | 90% | 0.898 | 75% | 0.753 | S | S | * | * | 178.9 | 161.4 | 117.5 | -95.6 | -21.6 | 0 | 0 | 0 | 109.7 | |||||
| 1940 | G | 23.3 | Very low | 26.1 | Very low | 59 Ų | 59 | 148.4 Ų | 148.4 | 61% | 0.608 | 76% | 0.759 | S | S | * | * | cis | 165.2 | 129.7 | -9.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1941 | R | 23.5 | Very low | 26 | Very low | 235 Ų | 235 | 152.9 Ų | 152.9 | 89% | 0.887 | 76% | 0.758 | S | S | * | * | trans | 81.3 | 116.2 | 166.3 | -50.7 | 179.3 | -164.3 | -138.3 | 1.3 | 119.6 | ||||
| 1942 | F | 24.9 | Very low | 26.4 | Very low | 187 Ų | 187 | 154.7 Ų | 154.7 | 82% | 0.82 | 76% | 0.758 | S | S | * | * | 44.1 | 159.6 | 93.4 | -70.5 | -62.6 | 0 | 0 | 0 | 119.4 | |||||
| 1943 | P | 29.7 | Very low | 26.2 | Very low | 92 Ų | 92 | 150.5 Ų | 150.5 | 60% | 0.597 | 75% | 0.75 | S | S | * | * | cis | -108.6 | -174.8 | 23.6 | 43.8 | -36.4 | 0 | 0 | 0 | 114.3 | ||||
| 1944 | F | 27.7 | Very low | 26.2 | Very low | 161 Ų | 161 | 145.4 Ų | 145.4 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | cis | -117.1 | 174.9 | 1.4 | -74.4 | -82.9 | 0 | 0 | 0 | 110.7 | ||||
| 1945 | E | 24.2 | Very low | 26 | Very low | 146 Ų | 146 | 150.3 Ų | 150.3 | 68% | 0.682 | 75% | 0.749 | S | S | * | * | cis | 80.1 | 133.9 | 28.4 | -107.1 | 166.9 | -127 | 0 | 0 | 114.6 | ||||
| 1946 | L | 26.8 | Very low | 25.4 | Very low | 156 Ų | 156 | 154.1 Ų | 154.1 | 82% | 0.817 | 76% | 0.758 | S | S | * | * | cis | -137 | 167.8 | 15.4 | -58.4 | 89.6 | 0 | 0 | 0 | 111.8 | ||||
| 1947 | D | 24.8 | Very low | 25.3 | Very low | 138 Ų | 138 | 152.3 Ų | 152.3 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | cis | -157.3 | -107.8 | -35.1 | 179.9 | 27 | 0 | 0 | 0 | 111.4 | ||||
| 1948 | P | 33.6 | Very low | 25.3 | Very low | 88 Ų | 88 | 151.8 Ų | 151.8 | 57% | 0.571 | 76% | 0.761 | S | S | * | * | trans | -134.7 | -173.3 | -150.4 | 44.7 | -24.8 | 0 | 0 | 0 | 119.4 | ||||
| 1949 | K | 24.3 | Very low | 25.5 | Very low | 176 Ų | 176 | 154.4 Ų | 154.4 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | trans | 83.8 | 145.3 | 163.1 | -60.9 | 170.5 | -175.8 | -174.4 | 0 | 117.2 | ||||
| 1950 | E | 26.7 | Very low | 25.4 | Very low | 168 Ų | 168 | 154.8 Ų | 154.8 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | cis | -146.8 | -174.9 | 2.2 | -139.5 | 148.4 | -124.8 | 0 | 0 | 113.3 | ||||
| 1951 | Y | 22 | Very low | 25.3 | Very low | 218 Ų | 218 | 157.5 Ų | 157.5 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | -102.7 | 176.2 | 174.4 | -100.8 | -65.4 | 0 | 0 | 0 | 109.6 | ||||
| 1952 | P | 34.9 | Very low | 25.3 | Very low | 104 Ų | 104 | 152.1 Ų | 152.1 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | cis | -139.9 | -173.5 | -14 | 37.8 | -17.4 | 0 | 0 | 0 | 116.1 | ||||
| 1953 | S | 22.3 | Very low | 25.2 | Very low | 101 Ų | 101 | 151.3 Ų | 151.3 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | 91.9 | 117.4 | 137.3 | 76.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1954 | T | 23.8 | Very low | 25.3 | Very low | 117 Ų | 117 | 159.4 Ų | 159.4 | 72% | 0.718 | 78% | 0.783 | S | S | * | * | trans | 46.9 | 129.3 | 138 | 40.5 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 1955 | Y | 23.5 | Very low | 25.1 | Very low | 218 Ų | 218 | 159.4 Ų | 159.4 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | 98.6 | 155.1 | 133.9 | -88.5 | -58.2 | 0 | 0 | 0 | 122.2 | ||||
| 1956 | Q | 24.7 | Very low | 25.2 | Very low | 186 Ų | 186 | 160.1 Ų | 160.1 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | trans | 69 | 162.2 | 175.3 | -101.5 | 153.6 | -41.6 | 0 | 0 | 120.3 | ||||
| 1957 | C | 23.1 | Very low | 25.1 | Very low | 117 Ų | 117 | 160.3 Ų | 160.3 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | -112.3 | 160.8 | -154.2 | -69 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1958 | Q | 22.3 | Very low | 25.1 | Very low | 194 Ų | 194 | 161.6 Ų | 161.6 | 91% | 0.907 | 79% | 0.794 | S | S | * | * | trans | 55.9 | 87.1 | 167.3 | -71.7 | 173.8 | -77.9 | 0 | 0 | 116 | ||||
| 1959 | K | 24.5 | Very low | 24.6 | Very low | 214 Ų | 214 | 166.2 Ų | 166.2 | 93% | 0.93 | 81% | 0.808 | S | S | * | * | -119.7 | 157.7 | 128.8 | -122.1 | 178 | -176.1 | 177 | 0 | 110.7 | |||||
| 1960 | E | 22.7 | Very low | 24.6 | Very low | 176 Ų | 176 | 165.5 Ų | 165.5 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | trans | -82.3 | 170.3 | -161.5 | -56.4 | -176.3 | 110.9 | 0 | 0 | 114.9 | ||||
| 1961 | V | 21.6 | Very low | 24.5 | Very low | 115 Ų | 115 | 165.4 Ų | 165.4 | 70% | 0.697 | 81% | 0.812 | S | S | * | * | trans | 45.6 | 93 | 137.5 | 174.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1962 | N | 23.2 | Very low | 24.6 | Very low | 123 Ų | 123 | 161.3 Ų | 161.3 | 66% | 0.658 | 81% | 0.809 | S | S | * | * | -168.9 | 149.9 | 102.1 | -104.3 | -72.4 | 0 | 0 | 0 | 113.3 | |||||
| 1963 | K | 22.6 | Very low | 23.8 | Very low | 170 Ų | 170 | 166.1 Ų | 166.1 | 74% | 0.739 | 82% | 0.82 | S | S | * | * | trans | 14.9 | 137.7 | 145.9 | -66.4 | 164 | -172.8 | 166.7 | 0 | 118.9 | ||||
| 1964 | F | 31.2 | Very low | 23.9 | Very low | 262 Ų | 262 | 172 Ų | 172 | 100% | 1.149 | 83% | 0.83 | S | S | * | * | cis | -151.6 | 0 | 15.8 | -136.6 | -64.4 | 0 | 0 | 0 | 110.7 |
Retrieved 1,964 of 1,964 residues in 1996.7 ms
(Link to these results)