| 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 | 30.7 | Very low | 28.7 | Very low | 238 Ų | 238 | 137.9 Ų | 137.9 | 100% | 1.172 | 74% | 0.741 | S | S | * | * | 0 | 70.2 | 0 | -90.9 | -97.9 | -109.7 | 0 | 0 | 110.1 | |||||
| 2 | F | 23.6 | Very low | 29.3 | Very low | 212 Ų | 212 | 133.3 Ų | 133.3 | 93% | 0.93 | 73% | 0.726 | S | S | * | * | 41.5 | 100.3 | 129 | -86.2 | -83.1 | 0 | 0 | 0 | 110.9 | |||||
| 3 | G | 24.3 | Very low | 29.8 | Very low | 64 Ų | 64 | 125.2 Ų | 125.2 | 66% | 0.66 | 68% | 0.681 | S | S | * | * | 127 | 89.1 | 110.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 4 | L | 27.3 | Very low | 30 | Very low | 169 Ų | 169 | 124.2 Ų | 124.2 | 89% | 0.885 | 67% | 0.674 | S | S | * | * | 147.8 | 0 | 119.6 | -84.6 | 154.5 | 0 | 0 | 0 | 109 | |||||
| 5 | Y | 24.2 | Very low | 30 | Very low | 236 Ų | 236 | 122.1 Ų | 122.1 | 93% | 0.925 | 66% | 0.657 | S | S | * | * | 0 | 76.5 | 0 | -85.3 | -82.5 | 0 | 0 | 0 | 111.1 | |||||
| 6 | S | 26.2 | Very low | 29.9 | Very low | 103 Ų | 103 | 124.7 Ų | 124.7 | 72% | 0.72 | 67% | 0.669 | S | S | * | * | trans | -162.9 | 53 | 135.1 | -148.7 | 0 | 0 | 0 | 0 | 109.5 | T8 | S6-T8 PolarHBondContact O-N 2.73Š| ||
| 7 | A | 27.7 | Very low | 29.7 | Very low | 100 Ų | 100 | 125.3 Ų | 125.3 | 83% | 0.826 | 67% | 0.671 | S | S | * | * | trans | -68.1 | 67.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | N9 | A7-N9 PolarHBondContact O-N 2.52Š| ||
| 8 | T | 32.7 | Very low | 29.4 | Very low | 103 Ų | 103 | 128.8 Ų | 128.8 | 63% | 0.632 | 68% | 0.683 | S | S | * | * | trans | -19.7 | 0 | 147.6 | 29.2 | 0 | 0 | 0 | 0 | 111.4 | S6 F10 | S6-T8 PolarHBondContact O-N 2.73Å; T8-F10 PolarHBondContact O-N 3.32Å | ||
| 9 | N | 30.9 | Very low | 29.1 | Very low | 115 Ų | 115 | 128.4 Ų | 128.4 | 62% | 0.615 | 69% | 0.686 | S | S | * | * | 0 | 69.5 | 0 | -85.9 | -31 | 0 | 0 | 0 | 112 | A7 | A7-N9 PolarHBondContact O-N 2.52Š| |||
| 10 | F | 36.2 | Very low | 28.9 | Very low | 163 Ų | 163 | 132.5 Ų | 132.5 | 72% | 0.715 | 69% | 0.693 | S | S | * | * | trans | -80.3 | 0 | 167.2 | -86.4 | -84.1 | 0 | 0 | 0 | 110.1 | T8 C12 | T8-F10 PolarHBondContact O-N 3.32Å; F10-C12 PolarHBondContact O-N 2.73Å | ||
| 11 | L | 32.3 | Very low | 28.8 | Very low | 14 Ų | 14 | 131.9 Ų | 131.9 | 7% | 0.073 | 70% | 0.7 | C | S | . | * | 0 | 0 | 0 | -134.1 | 106.5 | 0 | 0 | 0 | 111.2 | A39 T40 G41 I48 Q85 I92 | L11-A39 HydrophobicContact CD2-CB 4.07Å; L11-T40 CarbonylContact C-O 3.57Å; L11-G41 WeakPolarHBondContact CD1-O 3.38Å; L11-G41 WeakPolarHBondContact CG-O 3.26Å; L11-I48 HydrophobicContact CD2-CD1 4.27Å; L11-I48 HydrophobicContact CD2-CG2 4.33Å; L11-Q85 HydrophobicContact CD1-CB 3.19Å; L11-Q85 HydrophobicContact CD1-CG 3.54Å; L11-Q85 CovalentContact CD1-OE1 1.74Å; L11-Q85 HydrophobicContact CD2-CB 4.05Å; L11-Q85 HydrophobicContact CG-CB 4.23Å; L11-Q85 VanDerWaalsContact CG-OE1 3.28Å; L11-I92 HydrophobicContact CB-CG2 3.92Å | |||
| 12 | C | 36 | Very low | 28.8 | Very low | 83 Ų | 83 | 128.3 Ų | 128.3 | 56% | 0.561 | 68% | 0.68 | S | S | * | * | E | Extended strand (participates in β ladder) | 0 | 115.5 | 0 | -117.4 | 0 | 0 | 0 | 0 | 110.7 | F10 T40 | F10-C12 PolarHBondContact O-N 2.73Å; C12-T40 CarbonylContact C-O 3.47Å; C12-T40 WeakPolarHBondContact CA-O 3.3Å; C12-T40 PolarHBondContact N-O 3.43Å; C12-T40 CarbonylContact O-C 3.54Å; C12-T40 WeakPolarHBondContact O-CA 3.43Å; C12-T40 WeakPolarHBondContact O-CB 3.35Å; C12-T40 PolarHBondContact O-N 3.19Å; C12-T40 PolarHBondContact O-OG1 3.48Å | |
| 13 | I | 35.3 | Very low | 30 | Very low | 27 Ų | 27 | 126.6 Ų | 126.6 | 14% | 0.138 | 67% | 0.667 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.5 | 92.7 | 174.2 | -60.5 | 172.3 | 0 | 0 | 0 | 108.7 | F15 N38 A39 A83 A94 | I13-F15 HydrophobicContact CG2-CD2 4.35Å; I13-N38 WeakPolarHBondContact CG2-O 3.49Å; I13-A39 HydrophobicContact CB-CB 4.45Å; I13-A39 HydrophobicContact CD1-CB 4.26Å; I13-A39 HydrophobicContact CG1-CB 3.5Å; I13-A83 HydrophobicContact CD1-CB 3.92Å; I13-A83 HydrophobicContact CG1-CB 4.47Å; I13-A94 HydrophobicContact CB-CB 4.43Å; I13-A94 HydrophobicContact CD1-CB 2.77Å; I13-A94 WeakPolarHBondContact CD1-O 2.13Å; I13-A94 HydrophobicContact CG1-CB 3.2Å |
| 14 | L | 31.9 | Very low | 30.9 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 59% | 0.586 | 66% | 0.658 | S | S | * | * | trans | -90.4 | 0 | 175.5 | -107.6 | 128.5 | 0 | 0 | 0 | 110 | ||||
| 15 | F | 31 | Very low | 32.4 | Very low | 93 Ų | 93 | 124.2 Ų | 124.2 | 41% | 0.408 | 64% | 0.637 | S | S | . | * | 0 | 102.1 | 0 | -105 | -88.8 | 0 | 0 | 0 | 110 | I13 L17 Y36 C37 | I13-F15 HydrophobicContact CG2-CD2 4.35Å; F15-L17 PolarHBondContact O-N 2.48Å; F15-Y36 WeakPolarHBondContact CE1-O 3.27Å; F15-Y36 WeakPolarHBondContact CE2-O 3.26Å; F15-Y36 CovalentContact CZ-O 1.46Å; F15-Y36 WeakPolarHBondContact CZ-O 3.33Å; F15-C37 HydrophobicContact CE2-CB 4.28Å; F15-C37 HydrophobicContact CZ-CB 4.41Å; F15-C37 VanDerWaalsContact CZ-N 3.34Å | |||
| 16 | L | 27.6 | Very low | 34.4 | Very low | 163 Ų | 163 | 116.2 Ų | 116.2 | 85% | 0.853 | 61% | 0.612 | S | S | * | * | trans | -60.7 | 0 | 162.4 | -83.9 | 153.2 | 0 | 0 | 0 | 110.9 | ||||
| 17 | L | 26.3 | Very low | 36.2 | Very low | 135 Ų | 135 | 111.9 Ų | 111.9 | 71% | 0.707 | 58% | 0.581 | S | S | * | * | 0 | 0 | 0 | -94.2 | 143 | 0 | 0 | 0 | 109.5 | F15 T19 | F15-L17 PolarHBondContact O-N 2.48Å; L17-T19 PolarHBondContact O-N 3.23Å | |||
| 18 | Q | 25.2 | Very low | 38.2 | Very low | 189 Ų | 189 | 108.9 Ų | 108.9 | 88% | 0.883 | 55% | 0.549 | S | S | * | . | 0 | 0 | 0 | -84.9 | -175.2 | -13.8 | 0 | 0 | 111.4 | |||||
| 19 | T | 23.4 | Very low | 39.7 | Very low | 121 Ų | 121 | 106.6 Ų | 106.6 | 74% | 0.742 | 53% | 0.53 | S | S | * | . | S | Bend | 0 | 0 | 0 | 50.7 | 0 | 0 | 0 | 0 | 110.1 | L17 | L17-T19 PolarHBondContact O-N 3.23Š| |
| 20 | Y | 25 | Very low | 41 | Very low | 209 Ų | 209 | 102.4 Ų | 102.4 | 82% | 0.82 | 51% | 0.514 | S | S | * | . | 0 | 0 | 0 | -99.7 | -92.1 | 0 | 0 | 0 | 109.3 | Q22 | Y20-Q22 PolarHBondContact O-N 2.76Š| |||
| 21 | S | 26.2 | Very low | 42.3 | Very low | 120 Ų | 120 | 95.3 Ų | 95.3 | 84% | 0.839 | 48% | 0.483 | S | S | * | . | 0 | 52 | 0 | 89.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 22 | Q | 32.5 | Very low | 43.5 | Very low | 163 Ų | 163 | 97.9 Ų | 97.9 | 76% | 0.762 | 50% | 0.497 | S | S | * | . | trans | -128.1 | 63 | 157.6 | -90.4 | -172.9 | -7.5 | 0 | 0 | 109.3 | Y20 I24 | Y20-Q22 PolarHBondContact O-N 2.76Å; Q22-I24 PolarHBondContact O-N 3.49Å | ||
| 23 | R | 48.1 | Very low | 45 | Very low | 176 Ų | 176 | 94.5 Ų | 94.5 | 66% | 0.664 | 47% | 0.474 | S | S | * | . | trans | -18.7 | 0 | 161.6 | -95.7 | -176.5 | -176.1 | -177.6 | -1.3 | 111.5 | F99 | R23-F99 WeakPolarHBondContact O-CA 3.35Å; R23-F99 WeakPolarHBondContact O-CB 2.57Å; R23-F99 PolarHBondContact O-N 3.39Å | ||
| 24 | I | 43.9 | Very low | 46.5 | Very low | 91 Ų | 91 | 95.6 Ų | 95.6 | 47% | 0.467 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 112.9 | 0 | -65.6 | 166.2 | 0 | 0 | 0 | 108.6 | Q22 V26 F99 | Q22-I24 PolarHBondContact O-N 3.49Å; I24-V26 HydrophobicContact CG2-CG2 4.41Å; I24-F99 CarbonylContact C-O 3.54Å; I24-F99 WeakPolarHBondContact CA-O 3.42Å; I24-F99 HydrophobicContact CG1-CB 4.14Å; I24-F99 HydrophobicContact CG1-CD1 4.23Å; I24-F99 HydrophobicContact CG2-CD1 4.16Å | |
| 25 | Q | 58.4 | Low | 48.5 | Very low | 93 Ų | 93 | 90.9 Ų | 90.9 | 44% | 0.435 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 110.3 | 176 | -82.5 | -168.2 | 2.8 | 0 | 0 | 110.1 | I27 F99 S101 | Q25-I27 PolarHBondContact O-N 3.07Å; Q25-F99 PolarHBondContact N-O 2.83Å; Q25-S101 PolarHBondContact O-N 3.16Å |
| 26 | V | 64.7 | Low | 50.4 | Low | 68 Ų | 68 | 93.6 Ų | 93.6 | 41% | 0.412 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 114.5 | 179.9 | -179.2 | 0 | 0 | 0 | 0 | 109 | I24 S101 R103 | I24-V26 HydrophobicContact CG2-CG2 4.41Å; V26-S101 CarbonylContact C-O 3.4Å; V26-S101 WeakPolarHBondContact CA-O 3.46Å; V26-R103 HydrophobicContact CG1-CB 4.14Å; V26-R103 HydrophobicContact CG1-CG 3.6Å |
| 27 | I | 65.6 | Low | 52.5 | Low | 12 Ų | 12 | 86.1 Ų | 86.1 | 6% | 0.062 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 136.2 | -178.9 | -60.3 | 171.2 | 0 | 0 | 0 | 108.5 | Q25 Q31 V33 I71 I100 S101 V102 R103 | Q25-I27 PolarHBondContact O-N 3.07Å; I27-Q31 HydrophobicContact CG2-CB 3.88Å; I27-V33 HydrophobicContact CB-CG2 4.46Å; I27-V33 HydrophobicContact CD1-CB 4.11Å; I27-V33 HydrophobicContact CD1-CG1 3.82Å; I27-V33 HydrophobicContact CD1-CG2 3.17Å; I27-V33 HydrophobicContact CG1-CG2 4.18Å; I27-V33 HydrophobicContact CG2-CG2 3.72Å; I27-I71 HydrophobicContact CB-CG2 4.48Å; I27-I71 HydrophobicContact CD1-CD1 4.16Å; I27-I71 HydrophobicContact CG2-CG2 3.57Å; I27-I100 HydrophobicContact CB-CG2 4.3Å; I27-I100 HydrophobicContact CD1-CB 4.48Å; I27-I100 HydrophobicContact CD1-CD1 3.8Å; I27-I100 HydrophobicContact CD1-CG1 4.28Å; I27-I100 HydrophobicContact CD1-CG2 3.47Å; I27-I100 VanDerWaalsContact CD1-CG2 3.47Å; I27-I100 HydrophobicContact CG1-CG2 4.15Å; I27-S101 PolarHBondContact N-O 3.43Å; I27-V102 CarbonylContact O-C 3.55Å; I27-V102 VanDerWaalsContact O-C 3.27Å; I27-V102 WeakPolarHBondContact O-CA 3.46Å; I27-R103 PolarHBondContact O-N 3.28Å |
| 28 | Y | 68.6 | Low | 54.3 | Low | 37 Ų | 37 | 84 Ų | 84 | 15% | 0.145 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 140 | -178.3 | -69.2 | -89.9 | 0 | 0 | 0 | 110.4 | G30 Q31 R103 A105 V169 S184 | Y28-G30 PolarHBondContact O-N 3.41Å; Y28-Q31 PolarHBondContact O-N 3.02Å; Y28-R103 CarbonylContact C-O 3Å; Y28-R103 WeakPolarHBondContact CA-O 3.41Å; Y28-R103 HydrophobicContact CD1-CB 4.09Å; Y28-R103 VanDerWaalsContact CD1-O 3.32Å; Y28-R103 WeakPolarHBondContact CD1-O 3.39Å; Y28-R103 HydrophobicContact CE1-CB 4.03Å; Y28-A105 HydrophobicContact CD1-CB 4.17Å; Y28-V169 HydrophobicContact CD2-CG1 4.01Å; Y28-V169 HydrophobicContact CD2-CG2 4.29Å; Y28-V169 HydrophobicContact CE2-CG1 3.88Å; Y28-S184 WeakPolarHBondContact CE1-OG 3.4Å; Y28-S184 VanDerWaalsContact OH-CB 3.28Å; Y28-S184 WeakPolarHBondContact OH-CB 3.06Å; Y28-S184 PolarHBondContact OH-OG 2.87Å |
| 29 | E | 64 | Low | 56.2 | Low | 54 Ų | 54 | 75.4 Ų | 75.4 | 25% | 0.252 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49 | 0 | -177.7 | -161.9 | 177.1 | 176.8 | 0 | 0 | 111.2 | I71 Q72 V102 R103 I167 | E29-I71 WeakPolarHBondContact CA-O 3.09Å; E29-Q72 PolarHBondContact OE1-OE1 3.47Å; E29-V102 HydrophobicContact CB-CG1 4.05Å; E29-R103 PolarHBondContact N-O 3.48Å; E29-I167 VanDerWaalsContact O-CD1 3.3Å; E29-I167 WeakPolarHBondContact O-CD1 3.36Å |
| 30 | G | 58.9 | Low | 58 | Low | 27 Ų | 27 | 72.5 Ų | 72.5 | 28% | 0.278 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y28 I71 | Y28-G30 PolarHBondContact O-N 3.41Å; G30-I71 PolarHBondContact N-O 2.97Å | |
| 31 | Q | 63.3 | Low | 59.3 | Low | 14 Ų | 14 | 63.9 Ų | 63.9 | 7% | 0.065 | 34% | 0.34 | C | S | . | . | 0 | 154.2 | 0 | -73.8 | -174.7 | -52.2 | 0 | 0 | 110.7 | I27 Y28 I71 | I27-Q31 HydrophobicContact CG2-CB 3.88Å; Y28-Q31 PolarHBondContact O-N 3.02Å; Q31-I71 PolarHBondContact O-N 3.05Å | |||
| 32 | N | 58.4 | Low | 60.4 | Low | 68 Ų | 68 | 60.1 Ų | 60.1 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | trans | -90.6 | 128.8 | 177.5 | -62 | -26.5 | 0 | 0 | 0 | 110.7 | I68 R69 G70 | N32-I68 CarbonylContact C-O 3.47Å; N32-I68 WeakPolarHBondContact CA-O 3.11Å; N32-R69 WeakPolarHBondContact OD1-CA 2.56Å; N32-G70 PolarHBondContact OD1-N 1.32Å | ||
| 33 | V | 66.6 | Low | 61.1 | Low | 13 Ų | 13 | 56.9 Ų | 56.9 | 8% | 0.079 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 133.5 | -178.9 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | I27 F35 H67 I68 I71 I100 | I27-V33 HydrophobicContact CB-CG2 4.46Å; I27-V33 HydrophobicContact CD1-CB 4.11Å; I27-V33 HydrophobicContact CD1-CG1 3.82Å; I27-V33 HydrophobicContact CD1-CG2 3.17Å; I27-V33 HydrophobicContact CG1-CG2 4.18Å; I27-V33 HydrophobicContact CG2-CG2 3.72Å; V33-F35 HydrophobicContact CB-CE2 4.39Å; V33-F35 HydrophobicContact CG1-CD2 4.27Å; V33-F35 HydrophobicContact CG1-CE1 4.14Å; V33-F35 HydrophobicContact CG1-CE2 3.67Å; V33-F35 HydrophobicContact CG1-CZ 3.62Å; V33-H67 CarbonylContact O-C 3.51Å; V33-H67 VanDerWaalsContact O-CA 3.27Å; V33-H67 WeakPolarHBondContact O-CA 3.37Å; V33-I68 PolarHBondContact N-O 3.43Å; V33-I68 PolarHBondContact O-N 3.14Å; V33-I71 HydrophobicContact CB-CD1 4.4Å; V33-I71 HydrophobicContact CG2-CB 4.35Å; V33-I71 HydrophobicContact CG2-CD1 3.77Å; V33-I100 HydrophobicContact CG1-CD1 3.9Å |
| 34 | A | 66.2 | Low | 61.2 | Low | 50 Ų | 50 | 58.7 Ų | 58.7 | 41% | 0.413 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 133.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y36 F66 H67 | A34-Y36 HydrophobicContact CB-CE2 3.77Å; A34-F66 CarbonylContact C-O 3.51Å; A34-H67 HydrophobicContact CB-CB 4.44Å |
| 35 | F | 74.6 | Confident | 61.4 | Low | 13 Ų | 13 | 61.3 Ų | 61.3 | 6% | 0.057 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 131.1 | 178.4 | -63.3 | -84.9 | 0 | 0 | 0 | 110.3 | V33 W52 Y65 F66 I68 Y79 T98 I100 | V33-F35 HydrophobicContact CB-CE2 4.39Å; V33-F35 HydrophobicContact CG1-CD2 4.27Å; V33-F35 HydrophobicContact CG1-CE1 4.14Å; V33-F35 HydrophobicContact CG1-CE2 3.67Å; V33-F35 HydrophobicContact CG1-CZ 3.62Å; F35-W52 HydrophobicContact CB-CH2 3.69Å; F35-W52 HydrophobicContact CB-CZ2 4.28Å; F35-W52 HydrophobicContact CB-CZ3 3.83Å; F35-W52 HydrophobicContact CG-CZ3 4.41Å; F35-Y65 CarbonylContact O-C 3.54Å; F35-Y65 VanDerWaalsContact O-CA 3.25Å; F35-Y65 WeakPolarHBondContact O-CA 3.27Å; F35-F66 AromaticContact CD2-CD1 3.69Å; F35-F66 HydrophobicContact CD2-CD1 3.69Å; F35-F66 HydrophobicContact CD2-CE1 4.23Å; F35-F66 HydrophobicContact CE2-CD1 4.35Å; F35-F66 HydrophobicContact CE2-CE1 4.45Å; F35-F66 PolarHBondContact N-O 3.2Å; F35-F66 PolarHBondContact O-N 2.52Å; F35-I68 HydrophobicContact CE2-CD1 3.75Å; F35-I68 HydrophobicContact CE2-CG1 4.28Å; F35-Y79 HydrophobicContact CE1-CD2 4.35Å; F35-Y79 HydrophobicContact CE1-CG 4.25Å; F35-Y79 HydrophobicContact CE2-CD1 4.24Å; F35-Y79 HydrophobicContact CE2-CE1 4.32Å; F35-Y79 HydrophobicContact CE2-CG 4.4Å; F35-Y79 HydrophobicContact CZ-CD1 4.26Å; F35-Y79 AromaticContact CZ-CD2 3.93Å; F35-Y79 HydrophobicContact CZ-CD2 3.93Å; F35-Y79 HydrophobicContact CZ-CE2 4.2Å; F35-Y79 AromaticContact CZ-CG 3.97Å; F35-Y79 HydrophobicContact CZ-CG 3.97Å; F35-T98 HydrophobicContact CD1-CG2 4.19Å; F35-T98 HydrophobicContact CE1-CG2 3.89Å; F35-I100 HydrophobicContact CD1-CD1 4.49Å; F35-I100 HydrophobicContact CE1-CD1 3.1Å; F35-I100 HydrophobicContact CE1-CG1 3.79Å; F35-I100 HydrophobicContact CE2-CD1 3.62Å; F35-I100 HydrophobicContact CZ-CD1 2.49Å; F35-I100 HydrophobicContact CZ-CG1 3.63Å |
| 36 | Y | 71.4 | Confident | 61.1 | Low | 149 Ų | 149 | 60.6 Ų | 60.6 | 58% | 0.584 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 0 | 177.3 | -62.4 | -91.2 | 0 | 0 | 0 | 109.5 | F15 A34 | F15-Y36 WeakPolarHBondContact CE1-O 3.27Å; F15-Y36 WeakPolarHBondContact CE2-O 3.26Å; F15-Y36 CovalentContact CZ-O 1.46Å; F15-Y36 WeakPolarHBondContact CZ-O 3.33Å; A34-Y36 HydrophobicContact CB-CE2 3.77Å |
| 37 | C | 72.1 | Confident | 61 | Low | 6 Ų | 6 | 68 Ų | 68 | 4% | 0.041 | 36% | 0.364 | C | S | . | . | 0 | 110.1 | 0 | -171.7 | 0 | 0 | 0 | 0 | 109 | F15 Y50 W52 A64 C81 | F15-C37 HydrophobicContact CE2-CB 4.28Å; F15-C37 HydrophobicContact CZ-CB 4.41Å; F15-C37 VanDerWaalsContact CZ-N 3.34Å; C37-Y50 HydrophobicContact CB-CD1 4.31Å; C37-W52 HydrophobicContact CB-CH2 3.81Å; C37-W52 HydrophobicContact CB-CZ2 3.17Å; C37-A64 WeakPolarHBondContact CA-O 3.4Å; C37-A64 WeakPolarHBondContact CB-O 3.2Å; C37-A64 PolarHBondContact N-O 2.13Å; C37-C81 HydrophobicContact CB-CB 3.86Å; C37-C81 WeakPolarHBondContact CB-SG 3.41Å; C37-C81 WeakPolarHBondContact SG-CB 3.24Å; C37-C81 CovalentContact SG-SG 1.91Å; C37-C81 PolarHBondContact SG-SG 3.18Å | |||
| 38 | N | 63.5 | Low | 61.4 | Low | 91 Ų | 91 | 69.5 Ų | 69.5 | 49% | 0.487 | 37% | 0.372 | S | S | . | . | trans | -110.8 | 102.7 | 179.9 | -156.1 | -1.3 | 0 | 0 | 0 | 110 | I13 | I13-N38 WeakPolarHBondContact CG2-O 3.49Š| ||
| 39 | A | 65.5 | Low | 61.7 | Low | 8 Ų | 8 | 72.5 Ų | 72.5 | 7% | 0.066 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 111.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | L11 I13 I48 Y50 A83 | L11-A39 HydrophobicContact CD2-CB 4.07Å; I13-A39 HydrophobicContact CB-CB 4.45Å; I13-A39 HydrophobicContact CD1-CB 4.26Å; I13-A39 HydrophobicContact CG1-CB 3.5Å; A39-I48 HydrophobicContact CB-CD1 4.36Å; A39-I48 HydrophobicContact CB-CG2 4.24Å; A39-Y50 HydrophobicContact CB-CE1 3.84Å; A39-A83 HydrophobicContact CB-CB 3.51Å |
| 40 | T | 59.6 | Low | 62.6 | Low | 60 Ų | 60 | 71.7 Ų | 71.7 | 37% | 0.368 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 0 | -178.4 | 49.8 | 0 | 0 | 0 | 0 | 109.7 | L11 C12 | L11-T40 CarbonylContact C-O 3.57Å; C12-T40 CarbonylContact C-O 3.47Å; C12-T40 WeakPolarHBondContact CA-O 3.3Å; C12-T40 PolarHBondContact N-O 3.43Å; C12-T40 CarbonylContact O-C 3.54Å; C12-T40 WeakPolarHBondContact O-CA 3.43Å; C12-T40 WeakPolarHBondContact O-CB 3.35Å; C12-T40 PolarHBondContact O-N 3.19Å; C12-T40 PolarHBondContact O-OG1 3.48Å |
| 41 | G | 53.7 | Low | 63.6 | Low | 29 Ų | 29 | 73.4 Ų | 73.4 | 30% | 0.299 | 38% | 0.382 | S | S | . | . | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110 | L11 Q85 | L11-G41 WeakPolarHBondContact CD1-O 3.38Å; L11-G41 WeakPolarHBondContact CG-O 3.26Å; G41-Q85 PolarHBondContact O-OE1 2.71Å | |||
| 42 | G | 48.2 | Very low | 64.5 | Low | 40 Ų | 40 | 73 Ų | 73 | 41% | 0.412 | 38% | 0.381 | S | S | . | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||
| 43 | S | 48.6 | Very low | 65.5 | Low | 95 Ų | 95 | 71.9 Ų | 71.9 | 66% | 0.664 | 37% | 0.373 | S | S | * | . | 0 | 0 | 0 | -174.9 | 0 | 0 | 0 | 0 | 111.4 | N45 D46 | S43-N45 PolarHBondContact O-N 3.14Å; S43-D46 PolarHBondContact O-N 2.93Å | |||
| 44 | K | 48.7 | Very low | 65.9 | Low | 215 Ų | 215 | 72.4 Ų | 72.4 | 94% | 0.935 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -116.2 | -179.2 | -179.3 | -179.7 | 0 | 111.9 | |||
| 45 | N | 48.3 | Very low | 66.3 | Low | 145 Ų | 145 | 73.9 Ų | 73.9 | 78% | 0.775 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -101.6 | -0.2 | 0 | 0 | 0 | 110.3 | S43 | S43-N45 PolarHBondContact O-N 3.14Š| |
| 46 | D | 52.1 | Low | 66 | Low | 78 Ų | 78 | 77.1 Ų | 77.1 | 42% | 0.417 | 40% | 0.395 | S | S | . | . | 0 | 0 | 0 | -86.3 | -13.8 | 0 | 0 | 0 | 109.5 | S43 Q85 | S43-D46 PolarHBondContact O-N 2.93Å; D46-Q85 HydrophobicContact CB-CG 4.09Å; D46-Q85 VanDerWaalsContact CB-NE2 3.34Å | |||
| 47 | Y | 63.5 | Low | 65.7 | Low | 223 Ų | 223 | 80.4 Ų | 80.4 | 88% | 0.875 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | 0 | 123.2 | 0 | -80.9 | -86.1 | 0 | 0 | 0 | 110 | |||
| 48 | I | 72.9 | Confident | 65.1 | Low | 45 Ų | 45 | 85 Ų | 85 | 23% | 0.231 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 124.2 | 175.6 | -58.8 | 174.8 | 0 | 0 | 0 | 109 | L11 A39 Y50 A83 T84 Q85 | L11-I48 HydrophobicContact CD2-CD1 4.27Å; L11-I48 HydrophobicContact CD2-CG2 4.33Å; A39-I48 HydrophobicContact CB-CD1 4.36Å; A39-I48 HydrophobicContact CB-CG2 4.24Å; I48-Y50 HydrophobicContact CB-CE2 4.14Å; I48-Y50 HydrophobicContact CG2-CE1 4.06Å; I48-Y50 HydrophobicContact CG2-CE2 3.99Å; I48-A83 HydrophobicContact CG2-CB 3.79Å; I48-T84 CarbonylContact C-O 3.47Å; I48-T84 WeakPolarHBondContact CA-O 3.42Å; I48-Q85 HydrophobicContact CG1-CB 4.26Å; I48-Q85 HydrophobicContact CG1-CG 4.4Å |
| 49 | H | 75.5 | Confident | 65.3 | Low | 100 Ų | 100 | 85.3 Ų | 85.3 | 46% | 0.463 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 126.3 | 177.5 | -156.4 | -82.1 | 0 | 0 | 0 | 110.7 | A83 T84 | H49-A83 CarbonylContact O-C 3.55Å; H49-A83 WeakPolarHBondContact O-CA 2.75Å; H49-T84 PolarHBondContact N-O 3.04Å; H49-T84 PolarHBondContact O-N 3.06Å |
| 50 | Y | 82.6 | Confident | 65.6 | Low | 37 Ų | 37 | 87.7 Ų | 87.7 | 15% | 0.145 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 142.4 | -178.4 | -64.4 | -85 | 0 | 0 | 0 | 109.6 | C37 A39 I48 T62 A64 I82 A83 | C37-Y50 HydrophobicContact CB-CD1 4.31Å; A39-Y50 HydrophobicContact CB-CE1 3.84Å; I48-Y50 HydrophobicContact CB-CE2 4.14Å; I48-Y50 HydrophobicContact CG2-CE1 4.06Å; I48-Y50 HydrophobicContact CG2-CE2 3.99Å; Y50-T62 CarbonylContact O-C 3.44Å; Y50-T62 VanDerWaalsContact O-C 3.22Å; Y50-T62 WeakPolarHBondContact O-CA 3.35Å; Y50-A64 HydrophobicContact CD1-CB 4.43Å; Y50-A64 HydrophobicContact CD2-CB 3.98Å; Y50-A64 HydrophobicContact CE1-CB 4.37Å; Y50-A64 HydrophobicContact CE2-CB 3.92Å; Y50-A64 HydrophobicContact CG-CB 4.23Å; Y50-I82 CarbonylContact C-O 3.54Å; Y50-I82 WeakPolarHBondContact CA-O 3.2Å; Y50-A83 HydrophobicContact CD1-CB 3.73Å; Y50-A83 HydrophobicContact CE1-CB 3.69Å |
| 51 | Q | 79.8 | Confident | 66.4 | Low | 62 Ų | 62 | 85.8 Ų | 85.8 | 29% | 0.29 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 136.9 | 173.9 | -70.2 | 177.1 | 4 | 0 | 0 | 109.3 | L59 C81 I82 | Q51-L59 HydrophobicContact CB-CD1 3.5Å; Q51-L59 HydrophobicContact CG-CD1 3.72Å; Q51-C81 CarbonylContact O-C 3.4Å; Q51-C81 WeakPolarHBondContact O-CA 3.1Å; Q51-I82 HydrophobicContact CB-CB 4.11Å; Q51-I82 PolarHBondContact N-O 2.67Å; Q51-I82 PolarHBondContact O-N 3.41Å |
| 52 | W | 81.7 | Confident | 67.7 | Low | 7 Ų | 7 | 88.4 Ų | 88.4 | 3% | 0.027 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 130.4 | 176.6 | -70.6 | 87 | 0 | 0 | 0 | 109.2 | F35 C37 L59 I60 A61 D63 K80 C81 | F35-W52 HydrophobicContact CB-CH2 3.69Å; F35-W52 HydrophobicContact CB-CZ2 4.28Å; F35-W52 HydrophobicContact CB-CZ3 3.83Å; F35-W52 HydrophobicContact CG-CZ3 4.41Å; C37-W52 HydrophobicContact CB-CH2 3.81Å; C37-W52 HydrophobicContact CB-CZ2 3.17Å; W52-L59 CarbonylContact O-C 3.54Å; W52-L59 VanDerWaalsContact O-CA 3.24Å; W52-L59 WeakPolarHBondContact O-CA 3.48Å; W52-I60 HydrophobicContact CB-CD1 4Å; W52-I60 HydrophobicContact CB-CG1 3.59Å; W52-I60 VanDerWaalsContact O-CG1 3.27Å; W52-I60 WeakPolarHBondContact O-CG1 2.89Å; W52-I60 PolarHBondContact O-N 2.94Å; W52-A61 HydrophobicContact CB-CB 4.14Å; W52-A61 HydrophobicContact CG-CB 4.32Å; W52-A61 PolarHBondContact N-O 3.35Å; W52-D63 PolarHBondContact NE1-O 3.07Å; W52-K80 CarbonylContact C-O 3.41Å; W52-K80 WeakPolarHBondContact CA-O 2.98Å; W52-C81 HydrophobicContact CD2-CB 4.01Å; W52-C81 HydrophobicContact CE3-CB 3.84Å; W52-C81 HydrophobicContact CH2-CB 3.62Å; W52-C81 HydrophobicContact CZ2-CB 3.83Å; W52-C81 HydrophobicContact CZ3-CB 3.63Å |
| 53 | E | 79.8 | Confident | 68.9 | Low | 43 Ų | 43 | 90.7 Ų | 90.7 | 20% | 0.201 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 141.6 | 176.5 | -69.6 | 178.7 | 177.2 | 0 | 0 | 110.1 | D58 Y79 K80 I82 | E53-D58 WeakPolarHBondContact CA-O 3.5Å; E53-Y79 CarbonylContact O-C 3.42Å; E53-Y79 WeakPolarHBondContact O-CA 3.47Å; E53-K80 HydrophobicContact CB-CB 4.38Å; E53-K80 PolarHBondContact N-O 3.35Å; E53-K80 PolarHBondContact O-N 3.3Å; E53-I82 HydrophobicContact CG-CD1 4.25Å |
| 54 | V | 76.4 | Confident | 70.2 | Confident | 25 Ų | 25 | 87.6 Ų | 87.6 | 15% | 0.152 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 119 | 173.2 | 81 | 0 | 0 | 0 | 0 | 108.4 | N56 R57 D58 I60 E78 Y79 | V54-N56 PolarHBondContact O-N 3.1Å; V54-N56 VanDerWaalsContact O-N 3.1Å; V54-R57 PolarHBondContact O-N 3.29Å; V54-D58 HydrophobicContact CG1-CB 4.37Å; V54-D58 PolarHBondContact N-O 2.15Å; V54-I60 HydrophobicContact CB-CD1 4.32Å; V54-I60 HydrophobicContact CB-CG2 4.28Å; V54-I60 HydrophobicContact CG1-CG2 4.17Å; V54-E78 WeakPolarHBondContact CA-O 3.27Å; V54-Y79 HydrophobicContact CB-CD1 4.34Å; V54-Y79 HydrophobicContact CB-CE1 4.24Å; V54-Y79 HydrophobicContact CG2-CD1 3.86Å; V54-Y79 HydrophobicContact CG2-CD2 4.32Å; V54-Y79 HydrophobicContact CG2-CE1 3.55Å; V54-Y79 HydrophobicContact CG2-CE2 4.05Å; V54-Y79 HydrophobicContact CG2-CG 4.24Å |
| 55 | N | 73.7 | Confident | 71.4 | Confident | 81 Ų | 81 | 83.8 Ų | 83.8 | 43% | 0.433 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 25.1 | 179.1 | -66.4 | -31.5 | 0 | 0 | 0 | 110.9 | R57 G77 E78 | N55-R57 VanDerWaalsContact C-N 3.25Å; N55-R57 WeakPolarHBondContact O-CG 3.34Å; N55-R57 PolarHBondContact O-N 2.4Å; N55-R57 VanDerWaalsContact O-N 3.12Å; N55-G77 WeakPolarHBondContact OD1-CA 3.38Å; N55-E78 PolarHBondContact N-O 3.14Å; N55-E78 PolarHBondContact OD1-N 0.94Å |
| 56 | N | 68 | Low | 72.6 | Confident | 81 Ų | 81 | 79 Ų | 79 | 43% | 0.433 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 22 | 176.1 | -85.8 | -10 | 0 | 0 | 0 | 111.7 | V54 K80 | V54-N56 PolarHBondContact O-N 3.1Å; V54-N56 VanDerWaalsContact O-N 3.1Å; N56-K80 PolarHBondContact ND2-NZ 3.04Å; N56-K80 WeakPolarHBondContact OD1-CD 3.24Å; N56-K80 WeakPolarHBondContact OD1-CE 3.37Å; N56-K80 PolarHBondContact OD1-NZ 3.13Å |
| 57 | R | 64.6 | Low | 73.5 | Confident | 218 Ų | 218 | 80.4 Ų | 80.4 | 82% | 0.823 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.5 | 0 | -173 | -76.2 | -172.7 | -179.6 | -175.3 | 0.7 | 110.1 | V54 N55 | V54-R57 PolarHBondContact O-N 3.29Å; N55-R57 VanDerWaalsContact C-N 3.25Å; N55-R57 WeakPolarHBondContact O-CG 3.34Å; N55-R57 PolarHBondContact O-N 2.4Å; N55-R57 VanDerWaalsContact O-N 3.12Å |
| 58 | D | 59.6 | Low | 73.8 | Confident | 103 Ų | 103 | 70.7 Ų | 70.7 | 55% | 0.551 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | 0 | 115.7 | 0 | -70.9 | -32 | 0 | 0 | 0 | 109.6 | E53 V54 I60 | E53-D58 WeakPolarHBondContact CA-O 3.5Å; V54-D58 HydrophobicContact CG1-CB 4.37Å; V54-D58 PolarHBondContact N-O 2.15Å; D58-I60 HydrophobicContact CB-CG2 4.48Å; D58-I60 PolarHBondContact O-N 2.72Å | |
| 59 | L | 67.8 | Low | 73.1 | Confident | 96 Ų | 96 | 78.2 Ų | 78.2 | 50% | 0.503 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 114.8 | 169.1 | -177 | 81.2 | 0 | 0 | 0 | 110.6 | Q51 W52 T62 | Q51-L59 HydrophobicContact CB-CD1 3.5Å; Q51-L59 HydrophobicContact CG-CD1 3.72Å; W52-L59 CarbonylContact O-C 3.54Å; W52-L59 VanDerWaalsContact O-CA 3.24Å; W52-L59 WeakPolarHBondContact O-CA 3.48Å; L59-T62 HydrophobicContact CD1-CG2 4.35Å; L59-T62 HydrophobicContact CD2-CG2 3.81Å; L59-T62 HydrophobicContact CG-CG2 4.29Å |
| 60 | I | 72.4 | Confident | 72.5 | Confident | 58 Ų | 58 | 74.5 Ų | 74.5 | 30% | 0.297 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | -17.4 | -172.4 | 45 | 166.2 | 0 | 0 | 0 | 109.5 | W52 V54 D58 F66 Y79 | W52-I60 HydrophobicContact CB-CD1 4Å; W52-I60 HydrophobicContact CB-CG1 3.59Å; W52-I60 VanDerWaalsContact O-CG1 3.27Å; W52-I60 WeakPolarHBondContact O-CG1 2.89Å; W52-I60 PolarHBondContact O-N 2.94Å; V54-I60 HydrophobicContact CB-CD1 4.32Å; V54-I60 HydrophobicContact CB-CG2 4.28Å; V54-I60 HydrophobicContact CG1-CG2 4.17Å; D58-I60 HydrophobicContact CB-CG2 4.48Å; D58-I60 PolarHBondContact O-N 2.72Å; I60-F66 HydrophobicContact CD1-CD1 4.07Å; I60-F66 HydrophobicContact CD1-CE1 3.72Å; I60-F66 HydrophobicContact CD1-CZ 4.02Å; I60-Y79 HydrophobicContact CD1-CD1 3.71Å; I60-Y79 HydrophobicContact CD1-CE1 3.93Å |
| 61 | A | 77 | Confident | 72.1 | Confident | 21 Ų | 21 | 72.7 Ų | 72.7 | 17% | 0.174 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.6 | 155.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | W52 F66 | W52-A61 HydrophobicContact CB-CB 4.14Å; W52-A61 HydrophobicContact CG-CB 4.32Å; W52-A61 PolarHBondContact N-O 3.35Å; A61-F66 HydrophobicContact CB-CB 4.06Å; A61-F66 HydrophobicContact CB-CD2 3.64Å; A61-F66 HydrophobicContact CB-CE2 4.41Å; A61-F66 HydrophobicContact CB-CG 4.09Å |
| 62 | T | 80.5 | Confident | 71.7 | Confident | 84 Ų | 84 | 74 Ų | 74 | 52% | 0.515 | 36% | 0.359 | S | S | . | . | trans | -123.9 | 9.2 | -174.6 | 48.8 | 0 | 0 | 0 | 0 | 109.7 | Y50 L59 | Y50-T62 CarbonylContact O-C 3.44Å; Y50-T62 VanDerWaalsContact O-C 3.22Å; Y50-T62 WeakPolarHBondContact O-CA 3.35Å; L59-T62 HydrophobicContact CD1-CG2 4.35Å; L59-T62 HydrophobicContact CD2-CG2 3.81Å; L59-T62 HydrophobicContact CG-CG2 4.29Å | ||
| 63 | D | 73.7 | Confident | 71.2 | Confident | 88 Ų | 88 | 78.7 Ų | 78.7 | 47% | 0.471 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -104.1 | 166.1 | 179.1 | -140.5 | -20.4 | 0 | 0 | 0 | 109.7 | W52 Y65 | W52-D63 PolarHBondContact NE1-O 3.07Å; D63-Y65 PolarHBondContact O-N 3.21Å |
| 64 | A | 75.1 | Confident | 71 | Confident | 29 Ų | 29 | 81.7 Ų | 81.7 | 24% | 0.24 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -68 | 0 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | C37 Y50 | C37-A64 WeakPolarHBondContact CA-O 3.4Å; C37-A64 WeakPolarHBondContact CB-O 3.2Å; C37-A64 PolarHBondContact N-O 2.13Å; Y50-A64 HydrophobicContact CD1-CB 4.43Å; Y50-A64 HydrophobicContact CD2-CB 3.98Å; Y50-A64 HydrophobicContact CE1-CB 4.37Å; Y50-A64 HydrophobicContact CE2-CB 3.92Å; Y50-A64 HydrophobicContact CG-CB 4.23Å |
| 65 | Y | 75 | Confident | 70.9 | Confident | 136 Ų | 136 | 82.9 Ų | 82.9 | 53% | 0.533 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 141.9 | 0 | 65.8 | -88.4 | 0 | 0 | 0 | 109.4 | F35 D63 | F35-Y65 CarbonylContact O-C 3.54Å; F35-Y65 VanDerWaalsContact O-CA 3.25Å; F35-Y65 WeakPolarHBondContact O-CA 3.27Å; D63-Y65 PolarHBondContact O-N 3.21Å | |
| 66 | F | 72.9 | Confident | 71 | Confident | 44 Ų | 44 | 81.6 Ų | 81.6 | 19% | 0.193 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 0 | -177.2 | 167.1 | -108.7 | 0 | 0 | 0 | 109.4 | A34 F35 I60 A61 I68 Y79 | A34-F66 CarbonylContact C-O 3.51Å; F35-F66 AromaticContact CD2-CD1 3.69Å; F35-F66 HydrophobicContact CD2-CD1 3.69Å; F35-F66 HydrophobicContact CD2-CE1 4.23Å; F35-F66 HydrophobicContact CE2-CD1 4.35Å; F35-F66 HydrophobicContact CE2-CE1 4.45Å; F35-F66 PolarHBondContact N-O 3.2Å; F35-F66 PolarHBondContact O-N 2.52Å; I60-F66 HydrophobicContact CD1-CD1 4.07Å; I60-F66 HydrophobicContact CD1-CE1 3.72Å; I60-F66 HydrophobicContact CD1-CZ 4.02Å; A61-F66 HydrophobicContact CB-CB 4.06Å; A61-F66 HydrophobicContact CB-CD2 3.64Å; A61-F66 HydrophobicContact CB-CE2 4.41Å; A61-F66 HydrophobicContact CB-CG 4.09Å; F66-I68 HydrophobicContact CD1-CG1 4.35Å; F66-I68 HydrophobicContact CE1-CD1 3.71Å; F66-I68 HydrophobicContact CE1-CG1 3.38Å; F66-I68 HydrophobicContact CZ-CD1 4.3Å; F66-I68 HydrophobicContact CZ-CG1 3.69Å; F66-Y79 HydrophobicContact CE1-CE1 4.25Å |
| 67 | H | 71.8 | Confident | 71.5 | Confident | 107 Ų | 107 | 77.9 Ų | 77.9 | 50% | 0.495 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 146.4 | 0 | 59.8 | -79.9 | 0 | 0 | 0 | 109.9 | V33 A34 | V33-H67 CarbonylContact O-C 3.51Å; V33-H67 VanDerWaalsContact O-CA 3.27Å; V33-H67 WeakPolarHBondContact O-CA 3.37Å; A34-H67 HydrophobicContact CB-CB 4.44Å | |
| 68 | I | 69.5 | Low | 72.3 | Confident | 19 Ų | 19 | 70.8 Ų | 70.8 | 10% | 0.097 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 118.5 | 169.5 | -60.6 | 174.2 | 0 | 0 | 0 | 109 | N32 V33 F35 F66 I71 Y79 | N32-I68 CarbonylContact C-O 3.47Å; N32-I68 WeakPolarHBondContact CA-O 3.11Å; V33-I68 PolarHBondContact N-O 3.43Å; V33-I68 PolarHBondContact O-N 3.14Å; F35-I68 HydrophobicContact CE2-CD1 3.75Å; F35-I68 HydrophobicContact CE2-CG1 4.28Å; F66-I68 HydrophobicContact CD1-CG1 4.35Å; F66-I68 HydrophobicContact CE1-CD1 3.71Å; F66-I68 HydrophobicContact CE1-CG1 3.38Å; F66-I68 HydrophobicContact CZ-CD1 4.3Å; F66-I68 HydrophobicContact CZ-CG1 3.69Å; I68-I71 HydrophobicContact CG2-CB 4.36Å; I68-I71 HydrophobicContact CG2-CG1 4.39Å; I68-Y79 HydrophobicContact CD1-CE1 3.63Å; I68-Y79 WeakPolarHBondContact CD1-OH 2.86Å |
| 69 | R | 58.3 | Low | 73.3 | Confident | 203 Ų | 203 | 66.3 Ų | 66.3 | 77% | 0.766 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -94.1 | 121.2 | 176.6 | -75.8 | -173.2 | -175.2 | -171.9 | 0.2 | 109.8 | N32 | N32-R69 WeakPolarHBondContact OD1-CA 2.56Š|
| 70 | G | 63 | Low | 73.9 | Confident | 22 Ų | 22 | 63.7 Ų | 63.7 | 23% | 0.227 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 72.4 | 69.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | N32 Q72 | N32-G70 PolarHBondContact OD1-N 1.32Å; G70-Q72 PolarHBondContact O-N 2.98Å |
| 71 | I | 72.8 | Confident | 74.3 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -69.2 | 121.6 | -173.5 | -164.9 | 158.6 | 0 | 0 | 0 | 109.3 | I27 E29 G30 Q31 V33 I68 D75 I100 V102 | I27-I71 HydrophobicContact CB-CG2 4.48Å; I27-I71 HydrophobicContact CD1-CD1 4.16Å; I27-I71 HydrophobicContact CG2-CG2 3.57Å; E29-I71 WeakPolarHBondContact CA-O 3.09Å; G30-I71 PolarHBondContact N-O 2.97Å; Q31-I71 PolarHBondContact O-N 3.05Å; V33-I71 HydrophobicContact CB-CD1 4.4Å; V33-I71 HydrophobicContact CG2-CB 4.35Å; V33-I71 HydrophobicContact CG2-CD1 3.77Å; I68-I71 HydrophobicContact CG2-CB 4.36Å; I68-I71 HydrophobicContact CG2-CG1 4.39Å; I71-D75 HydrophobicContact CD1-CB 4.46Å; I71-D75 HydrophobicContact CG1-CB 3.69Å; I71-I100 HydrophobicContact CD1-CD1 4.08Å; I71-I100 HydrophobicContact CD1-CG2 3.52Å; I71-V102 HydrophobicContact CD1-CG2 3.94Å; I71-V102 HydrophobicContact CG1-CG2 3.82Å; I71-V102 HydrophobicContact CG2-CG1 4.16Å; I71-V102 HydrophobicContact CG2-CG2 4.34Å | ||
| 72 | Q | 71.9 | Confident | 74.6 | Confident | 89 Ų | 89 | 61 Ų | 61 | 42% | 0.416 | 30% | 0.303 | S | S | . | . | trans | -99.9 | 0 | -179.4 | -61.3 | -75.7 | -39.6 | 0 | 0 | 109.7 | E29 G70 S74 D75 | E29-Q72 PolarHBondContact OE1-OE1 3.47Å; G70-Q72 PolarHBondContact O-N 2.98Å; Q72-S74 PolarHBondContact O-N 2.6Å; Q72-D75 PolarHBondContact N-OD2 2.8Å; Q72-D75 WeakPolarHBondContact O-CA 0.76Å; Q72-D75 VanDerWaalsContact O-CB 3.27Å; Q72-D75 WeakPolarHBondContact O-CB 2.2Å; Q72-D75 PolarHBondContact O-N 2.7Å | ||
| 73 | K | 70.7 | Confident | 74.5 | Confident | 105 Ų | 105 | 57 Ų | 57 | 46% | 0.457 | 28% | 0.278 | S | S | . | . | G | 310 helix | 0 | -27.1 | 0 | -173.7 | 66.8 | -178.9 | -178.6 | 0 | 111.1 | D75 E76 V102 | K73-D75 PolarHBondContact O-N 2.03Å; K73-D75 VanDerWaalsContact O-N 3.14Å; K73-E76 WeakPolarHBondContact CD-OE2 3.34Å; K73-E76 WeakPolarHBondContact CE-OE2 3.44Å; K73-E76 IonicContact NZ-OE2 3.23Å; K73-E76 PolarHBondContact NZ-OE2 2.34Å; K73-E76 VanDerWaalsContact O-CB 3.23Å; K73-E76 WeakPolarHBondContact O-CB 3.47Å; K73-E76 PolarHBondContact O-N 2.87Å; K73-E76 VanDerWaalsContact O-N 3.12Å; K73-V102 HydrophobicContact CD-CB 4.22Å; K73-V102 WeakPolarHBondContact CD-O 3.24Å; K73-V102 WeakPolarHBondContact CE-O 3.41Å; K73-V102 PolarHBondContact NZ-O 3Å | |
| 74 | S | 75.4 | Confident | 74.8 | Confident | 106 Ų | 106 | 53.4 Ų | 53.4 | 74% | 0.741 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -69.9 | -15.4 | 179.5 | 58.6 | 0 | 0 | 0 | 0 | 111.7 | Q72 E76 | Q72-S74 PolarHBondContact O-N 2.6Å; S74-E76 PolarHBondContact O-N 2.38Å |
| 75 | D | 75.1 | Confident | 74.5 | Confident | 50 Ų | 50 | 52.2 Ų | 52.2 | 27% | 0.267 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -89.6 | -2 | -175.3 | -66.8 | -36.3 | 0 | 0 | 0 | 110 | I71 Q72 K73 G77 Y79 | I71-D75 HydrophobicContact CD1-CB 4.46Å; I71-D75 HydrophobicContact CG1-CB 3.69Å; Q72-D75 PolarHBondContact N-OD2 2.8Å; Q72-D75 WeakPolarHBondContact O-CA 0.76Å; Q72-D75 VanDerWaalsContact O-CB 3.27Å; Q72-D75 WeakPolarHBondContact O-CB 2.2Å; Q72-D75 PolarHBondContact O-N 2.7Å; K73-D75 PolarHBondContact O-N 2.03Å; K73-D75 VanDerWaalsContact O-N 3.14Å; D75-G77 PolarHBondContact O-N 2.61Å; D75-Y79 WeakPolarHBondContact O-CE2 3.15Å; D75-Y79 PolarHBondContact O-OH 1.07Å |
| 76 | E | 75 | Confident | 74.2 | Confident | 55 Ų | 55 | 51.9 Ų | 51.9 | 26% | 0.257 | 25% | 0.248 | S | C | . | . | trans | -59.6 | 132.6 | 179.5 | -174.2 | 172.1 | 168.7 | 0 | 0 | 110.3 | K73 S74 F99 I100 V102 | K73-E76 WeakPolarHBondContact CD-OE2 3.34Å; K73-E76 WeakPolarHBondContact CE-OE2 3.44Å; K73-E76 IonicContact NZ-OE2 3.23Å; K73-E76 PolarHBondContact NZ-OE2 2.34Å; K73-E76 VanDerWaalsContact O-CB 3.23Å; K73-E76 WeakPolarHBondContact O-CB 3.47Å; K73-E76 PolarHBondContact O-N 2.87Å; K73-E76 VanDerWaalsContact O-N 3.12Å; S74-E76 PolarHBondContact O-N 2.38Å; E76-F99 HydrophobicContact CG-CE1 4.21Å; E76-F99 HydrophobicContact CG-CZ 4.22Å; E76-I100 WeakPolarHBondContact CG-O 3.2Å; E76-V102 HydrophobicContact CB-CG2 4.32Å | ||
| 77 | G | 80.4 | Confident | 73.7 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164.4 | 176.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | N55 D75 Y79 I100 | N55-G77 WeakPolarHBondContact OD1-CA 3.38Å; D75-G77 PolarHBondContact O-N 2.61Å; G77-Y79 WeakPolarHBondContact O-CD2 3.25Å; G77-I100 PolarHBondContact N-O 3.29Å; G77-I100 PolarHBondContact O-N 3.33Å |
| 78 | E | 80.7 | Confident | 73.2 | Confident | 69 Ų | 69 | 54.2 Ų | 54.2 | 32% | 0.322 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 113.4 | -178.1 | -172.3 | 179.9 | -169.9 | 0 | 0 | 110.6 | V54 N55 S97 T98 F99 | V54-E78 WeakPolarHBondContact CA-O 3.27Å; N55-E78 PolarHBondContact N-O 3.14Å; N55-E78 PolarHBondContact OD1-N 0.94Å; E78-S97 WeakPolarHBondContact OE1-CB 3.27Å; E78-S97 PolarHBondContact OE1-OG 2.78Å; E78-T98 CarbonylContact C-O 3.47Å; E78-T98 WeakPolarHBondContact CA-O 3.49Å; E78-F99 HydrophobicContact CB-CD2 4.03Å |
| 79 | Y | 80 | Confident | 72.8 | Confident | 8 Ų | 8 | 56.7 Ų | 56.7 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 117.3 | 179 | -70 | -98.8 | 0 | 0 | 0 | 110.2 | F35 E53 V54 I60 F66 I68 D75 G77 S97 T98 I100 | F35-Y79 HydrophobicContact CE1-CD2 4.35Å; F35-Y79 HydrophobicContact CE1-CG 4.25Å; F35-Y79 HydrophobicContact CE2-CD1 4.24Å; F35-Y79 HydrophobicContact CE2-CE1 4.32Å; F35-Y79 HydrophobicContact CE2-CG 4.4Å; F35-Y79 HydrophobicContact CZ-CD1 4.26Å; F35-Y79 AromaticContact CZ-CD2 3.93Å; F35-Y79 HydrophobicContact CZ-CD2 3.93Å; F35-Y79 HydrophobicContact CZ-CE2 4.2Å; F35-Y79 AromaticContact CZ-CG 3.97Å; F35-Y79 HydrophobicContact CZ-CG 3.97Å; E53-Y79 CarbonylContact O-C 3.42Å; E53-Y79 WeakPolarHBondContact O-CA 3.47Å; V54-Y79 HydrophobicContact CB-CD1 4.34Å; V54-Y79 HydrophobicContact CB-CE1 4.24Å; V54-Y79 HydrophobicContact CG2-CD1 3.86Å; V54-Y79 HydrophobicContact CG2-CD2 4.32Å; V54-Y79 HydrophobicContact CG2-CE1 3.55Å; V54-Y79 HydrophobicContact CG2-CE2 4.05Å; V54-Y79 HydrophobicContact CG2-CG 4.24Å; I60-Y79 HydrophobicContact CD1-CD1 3.71Å; I60-Y79 HydrophobicContact CD1-CE1 3.93Å; F66-Y79 HydrophobicContact CE1-CE1 4.25Å; I68-Y79 HydrophobicContact CD1-CE1 3.63Å; I68-Y79 WeakPolarHBondContact CD1-OH 2.86Å; D75-Y79 WeakPolarHBondContact O-CE2 3.15Å; D75-Y79 PolarHBondContact O-OH 1.07Å; G77-Y79 WeakPolarHBondContact O-CD2 3.25Å; Y79-S97 CarbonylContact O-C 3.48Å; Y79-S97 WeakPolarHBondContact O-CA 3.41Å; Y79-T98 PolarHBondContact N-O 2.92Å; Y79-T98 PolarHBondContact O-N 2.86Å; Y79-I100 HydrophobicContact CD2-CB 4.32Å; Y79-I100 HydrophobicContact CD2-CD1 3.97Å; Y79-I100 HydrophobicContact CD2-CG1 3.88Å; Y79-I100 HydrophobicContact CE2-CB 4.12Å; Y79-I100 HydrophobicContact CE2-CD1 3.89Å; Y79-I100 HydrophobicContact CE2-CG1 4.04Å |
| 80 | K | 80.1 | Confident | 72.9 | Confident | 42 Ų | 42 | 51.4 Ų | 51.4 | 18% | 0.183 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 126.9 | -173.6 | -173.5 | -176.7 | -81.3 | 178.7 | 0 | 110.7 | W52 E53 N56 I82 T95 E96 | W52-K80 CarbonylContact C-O 3.41Å; W52-K80 WeakPolarHBondContact CA-O 2.98Å; E53-K80 HydrophobicContact CB-CB 4.38Å; E53-K80 PolarHBondContact N-O 3.35Å; E53-K80 PolarHBondContact O-N 3.3Å; N56-K80 PolarHBondContact ND2-NZ 3.04Å; N56-K80 WeakPolarHBondContact OD1-CD 3.24Å; N56-K80 WeakPolarHBondContact OD1-CE 3.37Å; N56-K80 PolarHBondContact OD1-NZ 3.13Å; K80-I82 HydrophobicContact CD-CG1 4.43Å; K80-I82 HydrophobicContact CG-CG1 4.4Å; K80-T95 HydrophobicContact CD-CG2 3.33Å; K80-T95 HydrophobicContact CG-CG2 3.25Å; K80-E96 CarbonylContact C-O 3.42Å; K80-E96 VanDerWaalsContact CA-O 3.28Å; K80-E96 WeakPolarHBondContact CA-O 2.9Å |
| 81 | C | 81.8 | Confident | 72.6 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.014 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 124.8 | 175.1 | 173.2 | 0 | 0 | 0 | 0 | 110.2 | C37 Q51 W52 T95 E96 | C37-C81 HydrophobicContact CB-CB 3.86Å; C37-C81 WeakPolarHBondContact CB-SG 3.41Å; C37-C81 WeakPolarHBondContact SG-CB 3.24Å; C37-C81 CovalentContact SG-SG 1.91Å; C37-C81 PolarHBondContact SG-SG 3.18Å; Q51-C81 CarbonylContact O-C 3.4Å; Q51-C81 WeakPolarHBondContact O-CA 3.1Å; W52-C81 HydrophobicContact CD2-CB 4.01Å; W52-C81 HydrophobicContact CE3-CB 3.84Å; W52-C81 HydrophobicContact CH2-CB 3.62Å; W52-C81 HydrophobicContact CZ2-CB 3.83Å; W52-C81 HydrophobicContact CZ3-CB 3.63Å; C81-T95 CarbonylContact O-C 3.57Å; C81-T95 WeakPolarHBondContact O-CA 3.38Å; C81-T95 WeakPolarHBondContact O-CG2 3.32Å; C81-E96 PolarHBondContact N-O 3.41Å; C81-E96 PolarHBondContact O-N 3.41Å |
| 82 | I | 82.4 | Confident | 72.4 | Confident | 20 Ų | 20 | 55.8 Ų | 55.8 | 10% | 0.103 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 117.1 | 177.3 | -56.8 | 168.6 | 0 | 0 | 0 | 109.3 | Y50 Q51 E53 K80 V93 A94 T95 | Y50-I82 CarbonylContact C-O 3.54Å; Y50-I82 WeakPolarHBondContact CA-O 3.2Å; Q51-I82 HydrophobicContact CB-CB 4.11Å; Q51-I82 PolarHBondContact N-O 2.67Å; Q51-I82 PolarHBondContact O-N 3.41Å; E53-I82 HydrophobicContact CG-CD1 4.25Å; K80-I82 HydrophobicContact CD-CG1 4.43Å; K80-I82 HydrophobicContact CG-CG1 4.4Å; I82-V93 HydrophobicContact CG2-CG1 3.24Å; I82-A94 CarbonylContact C-O 3.49Å; I82-A94 WeakPolarHBondContact CA-O 3.35Å; I82-T95 HydrophobicContact CB-CG2 4.43Å; I82-T95 HydrophobicContact CD1-CG2 4.48Å; I82-T95 HydrophobicContact CG1-CG2 3.47Å; I82-T95 VanDerWaalsContact CG1-CG2 3.47Å |
| 83 | A | 78.7 | Confident | 72.3 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 120.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | I13 A39 I48 H49 Y50 V93 A94 | I13-A83 HydrophobicContact CD1-CB 3.92Å; I13-A83 HydrophobicContact CG1-CB 4.47Å; A39-A83 HydrophobicContact CB-CB 3.51Å; I48-A83 HydrophobicContact CG2-CB 3.79Å; H49-A83 CarbonylContact O-C 3.55Å; H49-A83 WeakPolarHBondContact O-CA 2.75Å; Y50-A83 HydrophobicContact CD1-CB 3.73Å; Y50-A83 HydrophobicContact CE1-CB 3.69Å; A83-V93 CarbonylContact O-C 3.58Å; A83-V93 VanDerWaalsContact O-CA 3.27Å; A83-V93 WeakPolarHBondContact O-CA 2.39Å; A83-A94 PolarHBondContact N-O 3.19Å; A83-A94 PolarHBondContact O-N 3.27Å |
| 84 | T | 80.2 | Confident | 72.5 | Confident | 12 Ų | 12 | 50.8 Ų | 50.8 | 7% | 0.074 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 126.2 | -176.7 | -52.6 | 0 | 0 | 0 | 0 | 110.4 | I48 H49 Y86 P91 I92 V93 | I48-T84 CarbonylContact C-O 3.47Å; I48-T84 WeakPolarHBondContact CA-O 3.42Å; H49-T84 PolarHBondContact N-O 3.04Å; H49-T84 PolarHBondContact O-N 3.06Å; T84-Y86 HydrophobicContact CG2-CD2 4.48Å; T84-Y86 HydrophobicContact CG2-CE2 3.96Å; T84-P91 HydrophobicContact CG2-CB 3.73Å; T84-I92 CarbonylContact C-O 3.51Å; T84-I92 WeakPolarHBondContact CA-O 3.31Å; T84-V93 HydrophobicContact CG2-CG2 3.48Å; T84-V93 VanDerWaalsContact CG2-CG2 3.48Å |
| 85 | Q | 68.9 | Low | 72.4 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.019 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 139.1 | 172.6 | -176.8 | -179.7 | 34.3 | 0 | 0 | 109.8 | L11 G41 D46 I48 V87 P91 I92 | L11-Q85 HydrophobicContact CD1-CB 3.19Å; L11-Q85 HydrophobicContact CD1-CG 3.54Å; L11-Q85 CovalentContact CD1-OE1 1.74Å; L11-Q85 HydrophobicContact CD2-CB 4.05Å; L11-Q85 HydrophobicContact CG-CB 4.23Å; L11-Q85 VanDerWaalsContact CG-OE1 3.28Å; G41-Q85 PolarHBondContact O-OE1 2.71Å; D46-Q85 HydrophobicContact CB-CG 4.09Å; D46-Q85 VanDerWaalsContact CB-NE2 3.34Å; I48-Q85 HydrophobicContact CG1-CB 4.26Å; I48-Q85 HydrophobicContact CG1-CG 4.4Å; Q85-V87 HydrophobicContact CG-CG2 4.09Å; Q85-P91 CarbonylContact O-C 2.89Å; Q85-P91 VanDerWaalsContact O-C 3.28Å; Q85-P91 VanDerWaalsContact O-CA 3.28Å; Q85-P91 WeakPolarHBondContact O-CA 2.51Å; Q85-I92 PolarHBondContact N-O 2.06Å; Q85-I92 WeakPolarHBondContact O-CA 3.43Å; Q85-I92 PolarHBondContact O-N 3.03Å |
| 86 | Y | 68.6 | Low | 72.3 | Confident | 130 Ų | 130 | 50.6 Ų | 50.6 | 51% | 0.51 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 102.6 | -179 | -70.7 | -92.5 | 0 | 0 | 0 | 109.7 | T84 T90 P91 | T84-Y86 HydrophobicContact CG2-CD2 4.48Å; T84-Y86 HydrophobicContact CG2-CE2 3.96Å; Y86-T90 WeakPolarHBondContact CA-O 2.08Å; Y86-P91 HydrophobicContact CD1-CB 3.67Å; Y86-P91 HydrophobicContact CD1-CG 4.26Å; Y86-P91 HydrophobicContact CE1-CB 3.41Å; Y86-P91 VanDerWaalsContact CE1-CB 3.41Å; Y86-P91 HydrophobicContact CE1-CG 3.91Å; Y86-P91 HydrophobicContact CG-CB 4.43Å |
| 87 | V | 63.4 | Low | 72.2 | Confident | 37 Ų | 37 | 49 Ų | 49 | 22% | 0.224 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 0 | 176.5 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | Q85 G89 T90 I92 | Q85-V87 HydrophobicContact CG-CG2 4.09Å; V87-G89 PolarHBondContact O-N 3.2Å; V87-T90 PolarHBondContact N-O 3.08Å; V87-T90 PolarHBondContact O-N 3.47Å; V87-T90 VanDerWaalsContact O-N 3.15Å; V87-T90 PolarHBondContact O-OG1 2.99Å; V87-I92 HydrophobicContact CB-CD1 3.85Å; V87-I92 HydrophobicContact CG2-CD1 3.44Å; V87-I92 VanDerWaalsContact CG2-CD1 3.44Å; V87-I92 HydrophobicContact CG2-CG1 4.3Å |
| 88 | N | 60.4 | Low | 71.7 | Confident | 163 Ų | 163 | 50.5 Ų | 50.5 | 87% | 0.872 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -78.2 | -25.2 | 0 | 0 | 0 | 111.3 | T90 | N88-T90 PolarHBondContact O-N 3.33Š| |
| 89 | G | 61.7 | Low | 71.2 | Confident | 70 Ų | 70 | 50.7 Ų | 50.7 | 72% | 0.722 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.1 | V87 | V87-G89 PolarHBondContact O-N 3.2Š| |
| 90 | T | 59.2 | Low | 70.9 | Confident | 93 Ų | 93 | 50.3 Ų | 50.3 | 57% | 0.571 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | 0 | 116.9 | 0 | 4.1 | 0 | 0 | 0 | 0 | 110 | Y86 V87 N88 I92 | Y86-T90 WeakPolarHBondContact CA-O 2.08Å; V87-T90 PolarHBondContact N-O 3.08Å; V87-T90 PolarHBondContact O-N 3.47Å; V87-T90 VanDerWaalsContact O-N 3.15Å; V87-T90 PolarHBondContact O-OG1 2.99Å; N88-T90 PolarHBondContact O-N 3.33Å; T90-I92 PolarHBondContact O-N 2.85Å | |
| 91 | P | 56.5 | Low | 70.5 | Confident | 70 Ų | 70 | 49.2 Ų | 49.2 | 46% | 0.455 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 114.5 | -176.9 | 20.8 | -21.9 | 0 | 0 | 0 | 111.6 | T84 Q85 Y86 V93 | T84-P91 HydrophobicContact CG2-CB 3.73Å; Q85-P91 CarbonylContact O-C 2.89Å; Q85-P91 VanDerWaalsContact O-C 3.28Å; Q85-P91 VanDerWaalsContact O-CA 3.28Å; Q85-P91 WeakPolarHBondContact O-CA 2.51Å; Y86-P91 HydrophobicContact CD1-CB 3.67Å; Y86-P91 HydrophobicContact CD1-CG 4.26Å; Y86-P91 HydrophobicContact CE1-CB 3.41Å; Y86-P91 VanDerWaalsContact CE1-CB 3.41Å; Y86-P91 HydrophobicContact CE1-CG 3.91Å; Y86-P91 HydrophobicContact CG-CB 4.43Å; P91-V93 HydrophobicContact CB-CG2 4.4Å |
| 92 | I | 70.3 | Confident | 69.9 | Low | 43 Ų | 43 | 49.1 Ų | 49.1 | 22% | 0.221 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 113.8 | 169.3 | -54.8 | 175.1 | 0 | 0 | 0 | 109.5 | L11 T84 Q85 V87 T90 | L11-I92 HydrophobicContact CB-CG2 3.92Å; T84-I92 CarbonylContact C-O 3.51Å; T84-I92 WeakPolarHBondContact CA-O 3.31Å; Q85-I92 PolarHBondContact N-O 2.06Å; Q85-I92 WeakPolarHBondContact O-CA 3.43Å; Q85-I92 PolarHBondContact O-N 3.03Å; V87-I92 HydrophobicContact CB-CD1 3.85Å; V87-I92 HydrophobicContact CG2-CD1 3.44Å; V87-I92 VanDerWaalsContact CG2-CD1 3.44Å; V87-I92 HydrophobicContact CG2-CG1 4.3Å; T90-I92 PolarHBondContact O-N 2.85Å |
| 93 | V | 69.6 | Low | 69.1 | Low | 75 Ų | 75 | 55.4 Ų | 55.4 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 125.7 | -172.2 | -179.6 | 0 | 0 | 0 | 0 | 108.5 | I82 A83 T84 P91 | I82-V93 HydrophobicContact CG2-CG1 3.24Å; A83-V93 CarbonylContact O-C 3.58Å; A83-V93 VanDerWaalsContact O-CA 3.27Å; A83-V93 WeakPolarHBondContact O-CA 2.39Å; T84-V93 HydrophobicContact CG2-CG2 3.48Å; T84-V93 VanDerWaalsContact CG2-CG2 3.48Å; P91-V93 HydrophobicContact CB-CG2 4.4Å |
| 94 | A | 74.3 | Confident | 68 | Low | 14 Ų | 14 | 63 Ų | 63 | 12% | 0.116 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 128.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | I13 I82 A83 | I13-A94 HydrophobicContact CB-CB 4.43Å; I13-A94 HydrophobicContact CD1-CB 2.77Å; I13-A94 WeakPolarHBondContact CD1-O 2.13Å; I13-A94 HydrophobicContact CG1-CB 3.2Å; I82-A94 CarbonylContact C-O 3.49Å; I82-A94 WeakPolarHBondContact CA-O 3.35Å; A83-A94 PolarHBondContact N-O 3.19Å; A83-A94 PolarHBondContact O-N 3.27Å |
| 95 | T | 72.3 | Confident | 66.9 | Low | 65 Ų | 65 | 63.1 Ų | 63.1 | 40% | 0.399 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 0 | -177.2 | -43.7 | 0 | 0 | 0 | 0 | 109.4 | K80 C81 I82 | K80-T95 HydrophobicContact CD-CG2 3.33Å; K80-T95 HydrophobicContact CG-CG2 3.25Å; C81-T95 CarbonylContact O-C 3.57Å; C81-T95 WeakPolarHBondContact O-CA 3.38Å; C81-T95 WeakPolarHBondContact O-CG2 3.32Å; I82-T95 HydrophobicContact CB-CG2 4.43Å; I82-T95 HydrophobicContact CD1-CG2 4.48Å; I82-T95 HydrophobicContact CG1-CG2 3.47Å; I82-T95 VanDerWaalsContact CG1-CG2 3.47Å |
| 96 | E | 73.4 | Confident | 66.2 | Low | 88 Ų | 88 | 69 Ų | 69 | 41% | 0.411 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 145.7 | 0 | -90.1 | -69.3 | 161.3 | 0 | 0 | 109.4 | K80 C81 | K80-E96 CarbonylContact C-O 3.42Å; K80-E96 VanDerWaalsContact CA-O 3.28Å; K80-E96 WeakPolarHBondContact CA-O 2.9Å; C81-E96 PolarHBondContact N-O 3.41Å; C81-E96 PolarHBondContact O-N 3.41Å | |
| 97 | S | 73.4 | Confident | 65.5 | Low | 22 Ų | 22 | 65.4 Ų | 65.4 | 15% | 0.154 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 149 | -178.2 | 63.1 | 0 | 0 | 0 | 0 | 110.2 | E78 Y79 | E78-S97 WeakPolarHBondContact OE1-CB 3.27Å; E78-S97 PolarHBondContact OE1-OG 2.78Å; Y79-S97 CarbonylContact O-C 3.48Å; Y79-S97 WeakPolarHBondContact O-CA 3.41Å |
| 98 | T | 68.9 | Low | 64.9 | Low | 34 Ų | 34 | 67.5 Ų | 67.5 | 21% | 0.209 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 140 | 173.9 | -172.7 | 0 | 0 | 0 | 0 | 108.7 | F35 E78 Y79 | F35-T98 HydrophobicContact CD1-CG2 4.19Å; F35-T98 HydrophobicContact CE1-CG2 3.89Å; E78-T98 CarbonylContact C-O 3.47Å; E78-T98 WeakPolarHBondContact CA-O 3.49Å; Y79-T98 PolarHBondContact N-O 2.92Å; Y79-T98 PolarHBondContact O-N 2.86Å |
| 99 | F | 72.1 | Confident | 64.8 | Low | 73 Ų | 73 | 63.2 Ų | 63.2 | 32% | 0.32 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 128.6 | 179.4 | -167.9 | -92.4 | 0 | 0 | 0 | 110.3 | R23 I24 Q25 E76 E78 | R23-F99 WeakPolarHBondContact O-CA 3.35Å; R23-F99 WeakPolarHBondContact O-CB 2.57Å; R23-F99 PolarHBondContact O-N 3.39Å; I24-F99 CarbonylContact C-O 3.54Å; I24-F99 WeakPolarHBondContact CA-O 3.42Å; I24-F99 HydrophobicContact CG1-CB 4.14Å; I24-F99 HydrophobicContact CG1-CD1 4.23Å; I24-F99 HydrophobicContact CG2-CD1 4.16Å; Q25-F99 PolarHBondContact N-O 2.83Å; E76-F99 HydrophobicContact CG-CE1 4.21Å; E76-F99 HydrophobicContact CG-CZ 4.22Å; E78-F99 HydrophobicContact CB-CD2 4.03Å |
| 100 | I | 72.6 | Confident | 64.4 | Low | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 114.7 | 177 | -66.3 | -163.2 | 0 | 0 | 0 | 108.2 | I27 V33 F35 I71 E76 G77 Y79 V102 | I27-I100 HydrophobicContact CB-CG2 4.3Å; I27-I100 HydrophobicContact CD1-CB 4.48Å; I27-I100 HydrophobicContact CD1-CD1 3.8Å; I27-I100 HydrophobicContact CD1-CG1 4.28Å; I27-I100 HydrophobicContact CD1-CG2 3.47Å; I27-I100 VanDerWaalsContact CD1-CG2 3.47Å; I27-I100 HydrophobicContact CG1-CG2 4.15Å; V33-I100 HydrophobicContact CG1-CD1 3.9Å; F35-I100 HydrophobicContact CD1-CD1 4.49Å; F35-I100 HydrophobicContact CE1-CD1 3.1Å; F35-I100 HydrophobicContact CE1-CG1 3.79Å; F35-I100 HydrophobicContact CE2-CD1 3.62Å; F35-I100 HydrophobicContact CZ-CD1 2.49Å; F35-I100 HydrophobicContact CZ-CG1 3.63Å; I71-I100 HydrophobicContact CD1-CD1 4.08Å; I71-I100 HydrophobicContact CD1-CG2 3.52Å; E76-I100 WeakPolarHBondContact CG-O 3.2Å; G77-I100 PolarHBondContact N-O 3.29Å; G77-I100 PolarHBondContact O-N 3.33Å; Y79-I100 HydrophobicContact CD2-CB 4.32Å; Y79-I100 HydrophobicContact CD2-CD1 3.97Å; Y79-I100 HydrophobicContact CD2-CG1 3.88Å; Y79-I100 HydrophobicContact CE2-CB 4.12Å; Y79-I100 HydrophobicContact CE2-CD1 3.89Å; Y79-I100 HydrophobicContact CE2-CG1 4.04Å; I100-V102 HydrophobicContact CG2-CG2 3.89Å |
| 101 | S | 71.6 | Confident | 64.6 | Low | 19 Ų | 19 | 62.5 Ų | 62.5 | 13% | 0.133 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 114.9 | 172.4 | -179.7 | 0 | 0 | 0 | 0 | 110.8 | Q25 V26 I27 | Q25-S101 PolarHBondContact O-N 3.16Å; V26-S101 CarbonylContact C-O 3.4Å; V26-S101 WeakPolarHBondContact CA-O 3.46Å; I27-S101 PolarHBondContact N-O 3.43Å |
| 102 | V | 68.9 | Low | 65.1 | Low | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 0 | -175.8 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | I27 E29 I71 K73 E76 I100 | I27-V102 CarbonylContact O-C 3.55Å; I27-V102 VanDerWaalsContact O-C 3.27Å; I27-V102 WeakPolarHBondContact O-CA 3.46Å; E29-V102 HydrophobicContact CB-CG1 4.05Å; I71-V102 HydrophobicContact CD1-CG2 3.94Å; I71-V102 HydrophobicContact CG1-CG2 3.82Å; I71-V102 HydrophobicContact CG2-CG1 4.16Å; I71-V102 HydrophobicContact CG2-CG2 4.34Å; K73-V102 HydrophobicContact CD-CB 4.22Å; K73-V102 WeakPolarHBondContact CD-O 3.24Å; K73-V102 WeakPolarHBondContact CE-O 3.41Å; K73-V102 PolarHBondContact NZ-O 3Å; E76-V102 HydrophobicContact CB-CG2 4.32Å; I100-V102 HydrophobicContact CG2-CG2 3.89Å |
| 103 | R | 65.2 | Low | 65 | Low | 151 Ų | 151 | 62.1 Ų | 62.1 | 57% | 0.57 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | 0 | 145.3 | 0 | -67 | -164.8 | -179.8 | -166.9 | 1.2 | 110.6 | V26 I27 Y28 E29 | V26-R103 HydrophobicContact CG1-CB 4.14Å; V26-R103 HydrophobicContact CG1-CG 3.6Å; I27-R103 PolarHBondContact O-N 3.28Å; Y28-R103 CarbonylContact C-O 3Å; Y28-R103 WeakPolarHBondContact CA-O 3.41Å; Y28-R103 HydrophobicContact CD1-CB 4.09Å; Y28-R103 VanDerWaalsContact CD1-O 3.32Å; Y28-R103 WeakPolarHBondContact CD1-O 3.39Å; Y28-R103 HydrophobicContact CE1-CB 4.03Å; E29-R103 PolarHBondContact N-O 3.48Å | |
| 104 | K | 56.2 | Low | 64.9 | Low | 159 Ų | 159 | 59.3 Ų | 59.3 | 69% | 0.691 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -86.1 | 121.8 | 176.8 | -137.9 | 174.9 | -179.4 | -180 | 0 | 110.1 | ||
| 105 | A | 57.1 | Low | 64.5 | Low | 15 Ų | 15 | 61.1 Ų | 61.1 | 12% | 0.124 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 135.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y28 S107 I108 A186 | Y28-A105 HydrophobicContact CD1-CB 4.17Å; A105-S107 PolarHBondContact O-N 2.5Å; A105-I108 HydrophobicContact CB-CD1 4.37Å; A105-I108 HydrophobicContact CB-CG1 3.83Å; A105-A186 HydrophobicContact CB-CB 3.34Å |
| 106 | D | 55.1 | Low | 64 | Low | 129 Ų | 129 | 59.8 Ų | 59.8 | 69% | 0.69 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -64 | -19 | -171.4 | -81.4 | -20.8 | 0 | 0 | 0 | 111.2 | ||
| 107 | S | 53.7 | Low | 63.6 | Low | 53 Ų | 53 | 58.3 Ų | 58.3 | 37% | 0.371 | 31% | 0.306 | S | S | . | . | trans | -162.2 | 120 | 172.3 | 55.1 | 0 | 0 | 0 | 0 | 109.3 | A105 A186 | A105-S107 PolarHBondContact O-N 2.5Å; S107-A186 PolarHBondContact O-N 2.53Å; S107-A186 VanDerWaalsContact O-N 3.08Å | ||
| 108 | I | 51.4 | Low | 63.3 | Low | 82 Ų | 82 | 61.4 Ų | 61.4 | 42% | 0.421 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 105.7 | -179.6 | -65.2 | 169.8 | 0 | 0 | 0 | 108.4 | A105 A186 K188 | A105-I108 HydrophobicContact CB-CD1 4.37Å; A105-I108 HydrophobicContact CB-CG1 3.83Å; I108-A186 CarbonylContact C-O 3.54Å; I108-A186 WeakPolarHBondContact CA-O 3.2Å; I108-A186 HydrophobicContact CG1-CB 4.11Å; I108-K188 HydrophobicContact CG2-CB 4.02Å |
| 109 | I | 58 | Low | 63.3 | Low | 73 Ų | 73 | 60 Ų | 60 | 37% | 0.374 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 112.9 | 173.7 | -64 | 170.7 | 0 | 0 | 0 | 109.2 | N124 A186 T187 K188 | I109-N124 HydrophobicContact CD1-CB 4.46Å; I109-A186 PolarHBondContact N-O 1.61Å; I109-A186 VanDerWaalsContact N-O 3.08Å; I109-T187 HydrophobicContact CB-CG2 4.46Å; I109-T187 CarbonylContact O-C 3.54Å; I109-T187 WeakPolarHBondContact O-CA 3.39Å; I109-T187 WeakPolarHBondContact O-CG2 3.43Å; I109-K188 PolarHBondContact O-N 2.68Å |
| 110 | T | 53.4 | Low | 63.6 | Low | 78 Ų | 78 | 64.5 Ų | 64.5 | 48% | 0.479 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 123.4 | -180 | -50.4 | 0 | 0 | 0 | 0 | 110 | K188 | T110-K188 CarbonylContact C-O 3.51Å; T110-K188 WeakPolarHBondContact CA-O 3.22Å; T110-K188 HydrophobicContact CG2-CB 4.13Å; T110-K188 HydrophobicContact CG2-CD 4.21Å; T110-K188 HydrophobicContact CG2-CG 4.26Å |
| 111 | Q | 63.3 | Low | 64 | Low | 70 Ų | 70 | 64.6 Ų | 64.6 | 33% | 0.327 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 117.9 | 176.1 | -88.9 | -179.3 | 13.9 | 0 | 0 | 110.1 | V113 K188 I189 N190 | Q111-V113 HydrophobicContact CB-CG2 4.05Å; Q111-K188 PolarHBondContact N-O 2.84Å; Q111-I189 WeakPolarHBondContact O-CA 3.38Å; Q111-N190 PolarHBondContact O-N 2.99Å |
| 112 | D | 66.7 | Low | 64.3 | Low | 89 Ų | 89 | 68.3 Ų | 68.3 | 48% | 0.476 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 114.3 | 172.4 | -69 | -22.9 | 0 | 0 | 0 | 110.4 | N190 I192 A224 | D112-N190 WeakPolarHBondContact CA-O 3.32Å; D112-N190 VanDerWaalsContact OD1-CB 3.28Å; D112-N190 WeakPolarHBondContact OD1-CB 3.47Å; D112-I192 HydrophobicContact CB-CD1 3.25Å; D112-I192 HydrophobicContact CB-CG1 4.23Å; D112-A224 HydrophobicContact CB-CB 4.3Å |
| 113 | V | 68.1 | Low | 64.7 | Low | 16 Ų | 16 | 69 Ų | 69 | 10% | 0.097 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 135.3 | -175.6 | -171.8 | 0 | 0 | 0 | 0 | 108.7 | Q111 I117 V119 I189 N190 V191 I192 | Q111-V113 HydrophobicContact CB-CG2 4.05Å; V113-I117 HydrophobicContact CG1-CB 4.11Å; V113-I117 HydrophobicContact CG1-CG2 4.29Å; V113-V119 HydrophobicContact CB-CG2 3.57Å; V113-V119 HydrophobicContact CG1-CB 4.27Å; V113-V119 HydrophobicContact CG1-CG2 2.83Å; V113-V119 HydrophobicContact CG2-CG1 4.15Å; V113-V119 HydrophobicContact CG2-CG2 3.73Å; V113-I189 HydrophobicContact CG2-CG2 4.27Å; V113-N190 PolarHBondContact N-O 2.94Å; V113-V191 CarbonylContact O-C 3.55Å; V113-V191 WeakPolarHBondContact O-CA 3.37Å; V113-I192 PolarHBondContact O-N 2.68Å |
| 114 | E | 66.4 | Low | 64.8 | Low | 15 Ų | 15 | 67.3 Ų | 67.3 | 7% | 0.07 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 141.4 | 179.7 | -83.3 | 178.9 | -179.1 | 0 | 0 | 111.1 | G116 I117 I192 A195 | E114-G116 PolarHBondContact O-N 1.88Å; E114-I117 HydrophobicContact CB-CD1 3.65Å; E114-I117 HydrophobicContact CB-CG1 4.27Å; E114-I117 PolarHBondContact O-N 3.43Å; E114-I192 WeakPolarHBondContact CA-O 3.09Å; E114-A195 VanDerWaalsContact CD-CB 3.49Å; E114-A195 HydrophobicContact CG-CB 4.36Å; E114-A195 WeakPolarHBondContact OE1-CB 3.4Å |
| 115 | E | 66.6 | Low | 65.1 | Low | 52 Ų | 52 | 61.4 Ų | 61.4 | 24% | 0.243 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | 131.6 | 179 | -174.6 | 178.2 | -171.7 | 0 | 0 | 111.5 | I117 I160 K161 V191 I192 R194 | E115-I117 PolarHBondContact O-N 2.87Å; E115-I160 WeakPolarHBondContact CA-O 3.4Å; E115-I160 VanDerWaalsContact CG-O 3.3Å; E115-I160 WeakPolarHBondContact CG-O 3.12Å; E115-K161 HydrophobicContact CG-CD 4.08Å; E115-K161 WeakPolarHBondContact OE1-CD 2.11Å; E115-K161 IonicContact OE1-NZ 2.6Å; E115-K161 PolarHBondContact OE1-NZ 1.97Å; E115-V191 HydrophobicContact CB-CG1 4.29Å; E115-I192 PolarHBondContact N-O 3.08Å; E115-R194 HydrophobicContact CB-CB 4.22Å |
| 116 | G | 61.7 | Low | 65.1 | Low | 37 Ų | 37 | 64.1 Ų | 64.1 | 38% | 0.381 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.7 | 0 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | E114 I160 | E114-G116 PolarHBondContact O-N 1.88Å; G116-I160 PolarHBondContact N-O 3.06Å; G116-I160 VanDerWaalsContact N-O 3.11Å |
| 117 | I | 65.4 | Low | 65.2 | Low | 58 Ų | 58 | 61.8 Ų | 61.8 | 30% | 0.297 | 34% | 0.341 | S | S | . | . | S | Bend | 0 | 142.3 | 0 | -68.9 | 178.8 | 0 | 0 | 0 | 108.7 | V113 E114 E115 V119 | V113-I117 HydrophobicContact CG1-CB 4.11Å; V113-I117 HydrophobicContact CG1-CG2 4.29Å; E114-I117 HydrophobicContact CB-CD1 3.65Å; E114-I117 HydrophobicContact CB-CG1 4.27Å; E114-I117 PolarHBondContact O-N 3.43Å; E115-I117 PolarHBondContact O-N 2.87Å; I117-V119 PolarHBondContact O-N 2.39Å | |
| 118 | L | 66.1 | Low | 65.3 | Low | 87 Ų | 87 | 66.2 Ų | 66.2 | 46% | 0.455 | 36% | 0.36 | S | S | . | . | trans | -71.3 | 109.4 | 175.2 | -175.1 | 98.7 | 0 | 0 | 0 | 110.3 | R120 L157 | L118-R120 HydrophobicContact CD2-CG 4.17Å; L118-L157 WeakPolarHBondContact CA-O 3.06Å | ||
| 119 | V | 70.2 | Confident | 65.4 | Low | 5 Ų | 5 | 69.7 Ų | 69.7 | 3% | 0.03 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 0 | 179.9 | 179.4 | 0 | 0 | 0 | 0 | 108.9 | V113 I117 I121 L157 I160 I189 | V113-V119 HydrophobicContact CB-CG2 3.57Å; V113-V119 HydrophobicContact CG1-CB 4.27Å; V113-V119 HydrophobicContact CG1-CG2 2.83Å; V113-V119 HydrophobicContact CG2-CG1 4.15Å; V113-V119 HydrophobicContact CG2-CG2 3.73Å; I117-V119 PolarHBondContact O-N 2.39Å; V119-I121 HydrophobicContact CG1-CG2 3.92Å; V119-L157 PolarHBondContact N-O 2.72Å; V119-L157 VanDerWaalsContact N-O 3.13Å; V119-L157 PolarHBondContact O-N 2.76Å; V119-I160 HydrophobicContact CG2-CD1 4.47Å; V119-I160 HydrophobicContact CG2-CG2 4.08Å; V119-I189 HydrophobicContact CG1-CD1 4.28Å |
| 120 | R | 77 | Confident | 65.3 | Low | 166 Ų | 166 | 69.7 Ų | 69.7 | 63% | 0.626 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | 0 | 115.7 | 0 | -72.3 | -176.4 | -173.7 | 164.3 | 1 | 109.6 | L118 E156 | L118-R120 HydrophobicContact CD2-CG 4.17Å; R120-E156 HydrophobicContact CG-CG 3.72Å; R120-E156 IonicContact CZ-OE1 3.92Å; R120-E156 IonicContact NE-OE1 3.82Å; R120-E156 PolarHBondContact NE-OE1 2.2Å; R120-E156 VanDerWaalsContact NE-OE1 3.14Å | |
| 121 | I | 81 | Confident | 65.8 | Low | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 134.8 | -179 | 44.2 | 175.5 | 0 | 0 | 0 | 108 | V119 W141 L155 Y168 T187 I189 | V119-I121 HydrophobicContact CG1-CG2 3.92Å; I121-W141 HydrophobicContact CB-CH2 4.26Å; I121-W141 HydrophobicContact CD1-CE3 3.96Å; I121-W141 HydrophobicContact CD1-CH2 3.94Å; I121-W141 HydrophobicContact CD1-CZ3 3.54Å; I121-W141 HydrophobicContact CG1-CH2 4.09Å; I121-W141 HydrophobicContact CG1-CZ3 4.23Å; I121-L155 HydrophobicContact CD1-CB 4.08Å; I121-L155 HydrophobicContact CD1-CD2 3.67Å; I121-L155 HydrophobicContact CD1-CG 4.34Å; I121-L155 HydrophobicContact CG1-CB 3.77Å; I121-L155 HydrophobicContact CG1-CD2 4.29Å; I121-L155 HydrophobicContact CG1-CG 4.41Å; I121-L155 WeakPolarHBondContact CG1-O 3.31Å; I121-L155 PolarHBondContact N-O 2.1Å; I121-L155 PolarHBondContact O-N 3.41Å; I121-Y168 HydrophobicContact CD1-CG 4.46Å; I121-T187 HydrophobicContact CG2-CG2 3.99Å; I121-I189 HydrophobicContact CD1-CD1 4.02Å; I121-I189 HydrophobicContact CG2-CD1 4.12Å |
| 122 | L | 78.9 | Confident | 65.7 | Low | 98 Ų | 98 | 72.5 Ų | 72.5 | 51% | 0.513 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 145 | -178.8 | -58.2 | 169.2 | 0 | 0 | 0 | 109.7 | N124 W153 K154 | L122-N124 PolarHBondContact O-N 2.66Å; L122-W153 HydrophobicContact CD1-CZ3 4.33Å; L122-W153 HydrophobicContact CD2-CE3 3.54Å; L122-W153 HydrophobicContact CD2-CH2 3.79Å; L122-W153 HydrophobicContact CD2-CZ3 2.95Å; L122-W153 HydrophobicContact CG-CZ3 4.11Å; L122-K154 HydrophobicContact CD2-CB 3.83Å |
| 123 | C | 77.4 | Confident | 65.6 | Low | 15 Ų | 15 | 72 Ų | 72 | 10% | 0.101 | 40% | 0.404 | C | S | . | . | trans | -80.9 | 0 | 176.7 | -168.4 | 0 | 0 | 0 | 0 | 109.3 | V125 Y139 W141 W153 C170 V172 | C123-V125 VanDerWaalsContact C-N 3.3Å; C123-V125 PolarHBondContact O-N 1.41Å; C123-V125 VanDerWaalsContact SG-CG2 3.55Å; C123-Y139 HydrophobicContact CB-CD1 3.89Å; C123-Y139 HydrophobicContact CB-CE1 4.07Å; C123-W141 HydrophobicContact CB-CH2 4.44Å; C123-W141 HydrophobicContact CB-CZ2 3.68Å; C123-W153 WeakPolarHBondContact CB-O 3.48Å; C123-W153 PolarHBondContact N-O 0.97Å; C123-C170 HydrophobicContact CB-CB 4Å; C123-C170 WeakPolarHBondContact CB-SG 3.17Å; C123-C170 WeakPolarHBondContact SG-CB 3.22Å; C123-C170 CovalentContact SG-SG 1.95Å; C123-C170 PolarHBondContact SG-SG 2.72Å; C123-V172 WeakPolarHBondContact SG-CG2 3.49Å | ||
| 124 | N | 66.7 | Low | 65.5 | Low | 114 Ų | 114 | 71.8 Ų | 71.8 | 61% | 0.61 | 41% | 0.405 | S | S | * | . | 0 | 60.7 | 0 | -159.1 | 3.5 | 0 | 0 | 0 | 110.3 | I109 L122 | I109-N124 HydrophobicContact CD1-CB 4.46Å; L122-N124 PolarHBondContact O-N 2.66Å | |||
| 125 | V | 63.7 | Low | 65.4 | Low | 36 Ų | 36 | 72.1 Ų | 72.1 | 22% | 0.218 | 41% | 0.412 | C | S | . | . | trans | -98.2 | 107.9 | 175.8 | -172.6 | 0 | 0 | 0 | 0 | 108.6 | C123 S127 V172 T183 | C123-V125 VanDerWaalsContact C-N 3.3Å; C123-V125 PolarHBondContact O-N 1.41Å; C123-V125 VanDerWaalsContact SG-CG2 3.55Å; V125-S127 PolarHBondContact O-N 3.2Å; V125-V172 HydrophobicContact CB-CG2 4.06Å; V125-V172 HydrophobicContact CG2-CB 4.45Å; V125-V172 HydrophobicContact CG2-CG2 3.62Å; V125-T183 HydrophobicContact CB-CG2 4.02Å; V125-T183 HydrophobicContact CG1-CG2 2.81Å; V125-T183 HydrophobicContact CG2-CG2 4.34Å | ||
| 126 | S | 56 | Low | 65.6 | Low | 72 Ų | 72 | 75.1 Ų | 75.1 | 50% | 0.503 | 44% | 0.436 | S | S | . | . | trans | -48.9 | 0 | -177.6 | 150.3 | 0 | 0 | 0 | 0 | 111 | D128 | S126-D128 PolarHBondContact O-N 2.67Å; S126-D128 WeakPolarHBondContact OG-CB 3.26Å; S126-D128 PolarHBondContact OG-N 3.27Å | ||
| 127 | S | 57.7 | Low | 66.3 | Low | 79 Ų | 79 | 76 Ų | 76 | 55% | 0.552 | 43% | 0.429 | S | S | * | . | G | 310 helix | 0 | 0 | 0 | 65.5 | 0 | 0 | 0 | 0 | 110.7 | V125 E129 K130 | V125-S127 PolarHBondContact O-N 3.2Å; S127-E129 PolarHBondContact O-N 3.01Å; S127-K130 PolarHBondContact O-N 3.03Å | |
| 128 | D | 55.9 | Low | 66.8 | Low | 146 Ų | 146 | 80.7 Ų | 80.7 | 78% | 0.781 | 44% | 0.443 | S | S | * | . | G | 310 helix | 0 | -3.6 | 0 | -77.5 | -26.8 | 0 | 0 | 0 | 110.6 | S126 | S126-D128 PolarHBondContact O-N 2.67Å; S126-D128 WeakPolarHBondContact OG-CB 3.26Å; S126-D128 PolarHBondContact OG-N 3.27Å | |
| 129 | E | 54.1 | Low | 67.7 | Low | 155 Ų | 155 | 79.3 Ų | 79.3 | 72% | 0.724 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -110.4 | 0 | -179.1 | -79.6 | -176.6 | -177.8 | 0 | 0 | 110.5 | S127 P131 | S127-E129 PolarHBondContact O-N 3.01Å; E129-P131 WeakPolarHBondContact O-CD 1.96Å |
| 130 | K | 55.7 | Low | 68.1 | Low | 73 Ų | 73 | 80.7 Ų | 80.7 | 32% | 0.317 | 44% | 0.439 | S | S | . | . | 0 | 107.6 | 0 | -177.2 | -179.9 | 168.1 | 170.3 | 0 | 109.5 | S127 D132 A134 G135 F137 | S127-K130 PolarHBondContact O-N 3.03Å; K130-D132 PolarHBondContact O-N 2.38Å; K130-A134 HydrophobicContact CD-CB 4.34Å; K130-A134 VanDerWaalsContact CE-O 3.25Å; K130-A134 WeakPolarHBondContact CE-O 3.43Å; K130-A134 HydrophobicContact CG-CB 3.62Å; K130-G135 PolarHBondContact NZ-O 2.76Å; K130-F137 HydrophobicContact CB-CE1 4.23Å; K130-F137 HydrophobicContact CB-CZ 3.64Å; K130-F137 HydrophobicContact CD-CE1 3.71Å; K130-F137 HydrophobicContact CD-CE2 3.74Å; K130-F137 HydrophobicContact CD-CZ 3.23Å; K130-F137 HydrophobicContact CG-CE1 4.05Å; K130-F137 HydrophobicContact CG-CZ 3.77Å | |||
| 131 | P | 63.8 | Low | 68.3 | Low | 41 Ų | 41 | 72.8 Ų | 72.8 | 27% | 0.266 | 41% | 0.409 | S | S | . | . | trans | -58.4 | 133.8 | 177.9 | -4.2 | 7.9 | 0 | 0 | 0 | 111.9 | E129 G133 A134 F176 M181 | E129-P131 WeakPolarHBondContact O-CD 1.96Å; P131-G133 PolarHBondContact O-N 2.89Å; P131-A134 WeakPolarHBondContact O-CB 2.75Å; P131-A134 PolarHBondContact O-N 3.05Å; P131-F176 HydrophobicContact CB-CD1 4.3Å; P131-F176 HydrophobicContact CB-CD2 3.99Å; P131-F176 HydrophobicContact CB-CE1 3.9Å; P131-F176 HydrophobicContact CB-CE2 3.54Å; P131-F176 HydrophobicContact CB-CG 4.34Å; P131-F176 HydrophobicContact CB-CZ 3.49Å; P131-F176 VanDerWaalsContact CB-CZ 3.49Å; P131-F176 HydrophobicContact CG-CD1 3.99Å; P131-F176 HydrophobicContact CG-CD2 4.14Å; P131-F176 HydrophobicContact CG-CE1 4.02Å; P131-F176 HydrophobicContact CG-CE2 4.16Å; P131-F176 HydrophobicContact CG-CG 4.04Å; P131-F176 HydrophobicContact CG-CZ 4.11Å; P131-M181 HydrophobicContact CG-SD 4.49Å | ||
| 132 | D | 61.4 | Low | 68.2 | Low | 167 Ų | 167 | 77.8 Ų | 77.8 | 89% | 0.893 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | 108.7 | 176.2 | -75.7 | -23.6 | 0 | 0 | 0 | 110.8 | K130 | K130-D132 PolarHBondContact O-N 2.38Š|
| 133 | G | 63.6 | Low | 68 | Low | 77 Ų | 77 | 74.4 Ų | 74.4 | 79% | 0.794 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 118.2 | 1.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | P131 | P131-G133 PolarHBondContact O-N 2.89Š|
| 134 | A | 65.7 | Low | 67.5 | Low | 13 Ų | 13 | 74.1 Ų | 74.1 | 11% | 0.107 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 0 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | K130 P131 Y174 E175 F176 | K130-A134 HydrophobicContact CD-CB 4.34Å; K130-A134 VanDerWaalsContact CE-O 3.25Å; K130-A134 WeakPolarHBondContact CE-O 3.43Å; K130-A134 HydrophobicContact CG-CB 3.62Å; P131-A134 WeakPolarHBondContact O-CB 2.75Å; P131-A134 PolarHBondContact O-N 3.05Å; A134-Y174 HydrophobicContact CB-CD2 3.5Å; A134-Y174 VanDerWaalsContact CB-CD2 3.5Å; A134-Y174 HydrophobicContact CB-CE2 3.87Å; A134-Y174 HydrophobicContact CB-CG 4.41Å; A134-E175 CarbonylContact C-O 3.59Å; A134-E175 WeakPolarHBondContact CA-O 3.01Å; A134-F176 HydrophobicContact CB-CB 4.02Å; A134-F176 HydrophobicContact CB-CD2 3.72Å; A134-F176 HydrophobicContact CB-CG 4.25Å |
| 135 | G | 65.8 | Low | 67.3 | Low | 22 Ų | 22 | 74.2 Ų | 74.2 | 23% | 0.227 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 112.5 | K130 Y174 E175 | K130-G135 PolarHBondContact NZ-O 2.76Å; G135-Y174 WeakPolarHBondContact O-CB 3.5Å; G135-E175 PolarHBondContact N-O 3.46Å | |
| 136 | P | 70.6 | Confident | 67.2 | Low | 114 Ų | 114 | 73.6 Ų | 73.6 | 74% | 0.74 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | 0 | 141.8 | 0 | 18.1 | -19.7 | 0 | 0 | 0 | 111.7 | R138 | P136-R138 PolarHBondContact O-N 3.25Š| |
| 137 | F | 76.8 | Confident | 67.9 | Low | 57 Ų | 57 | 73.5 Ų | 73.5 | 25% | 0.25 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 129.2 | 177.5 | -72 | -44 | 0 | 0 | 0 | 110.8 | K130 Y139 V172 S173 Y174 | K130-F137 HydrophobicContact CB-CE1 4.23Å; K130-F137 HydrophobicContact CB-CZ 3.64Å; K130-F137 HydrophobicContact CD-CE1 3.71Å; K130-F137 HydrophobicContact CD-CE2 3.74Å; K130-F137 HydrophobicContact CD-CZ 3.23Å; K130-F137 HydrophobicContact CG-CE1 4.05Å; K130-F137 HydrophobicContact CG-CZ 3.77Å; F137-Y139 HydrophobicContact CB-CD2 4.44Å; F137-Y139 HydrophobicContact CB-CE2 3.68Å; F137-V172 HydrophobicContact CB-CG1 3.65Å; F137-V172 HydrophobicContact CD1-CG1 3.46Å; F137-V172 VanDerWaalsContact CD1-CG1 3.46Å; F137-V172 HydrophobicContact CE1-CG1 4.26Å; F137-V172 HydrophobicContact CG-CG1 3.65Å; F137-S173 CarbonylContact C-O 3.49Å; F137-S173 WeakPolarHBondContact CA-O 3.38Å; F137-Y174 AromaticContact CD1-CD1 3.59Å; F137-Y174 HydrophobicContact CD1-CD1 3.59Å; F137-Y174 HydrophobicContact CD1-CG 4Å; F137-Y174 AromaticContact CE1-CD1 3.29Å; F137-Y174 HydrophobicContact CE1-CD1 3.29Å; F137-Y174 AromaticContact CE1-CE1 3.86Å; F137-Y174 HydrophobicContact CE1-CE1 3.86Å; F137-Y174 AromaticContact CE1-CG 3.84Å; F137-Y174 HydrophobicContact CE1-CG 3.84Å |
| 138 | R | 75.8 | Confident | 68.6 | Low | 155 Ų | 155 | 74 Ų | 74 | 59% | 0.585 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 126.6 | 167.8 | -167.8 | 176.2 | -178.8 | -175.6 | 0.5 | 110.6 | P136 E140 V172 S173 | P136-R138 PolarHBondContact O-N 3.25Å; R138-E140 IonicContact NE-OE1 3.78Å; R138-V172 CarbonylContact O-C 3.34Å; R138-V172 WeakPolarHBondContact O-CA 3.31Å; R138-S173 VanDerWaalsContact CB-OG 3.31Å; R138-S173 WeakPolarHBondContact CB-OG 3.42Å; R138-S173 PolarHBondContact N-O 3.26Å; R138-S173 PolarHBondContact O-N 3.09Å; R138-S173 PolarHBondContact O-OG 3.1Å |
| 139 | Y | 83.7 | Confident | 69.7 | Low | 59 Ų | 59 | 69.8 Ų | 69.8 | 23% | 0.231 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 138.6 | -176.7 | -62.2 | -89.1 | 0 | 0 | 0 | 109.6 | C123 F137 T151 W153 R171 V172 | C123-Y139 HydrophobicContact CB-CD1 3.89Å; C123-Y139 HydrophobicContact CB-CE1 4.07Å; F137-Y139 HydrophobicContact CB-CD2 4.44Å; F137-Y139 HydrophobicContact CB-CE2 3.68Å; Y139-T151 CarbonylContact O-C 3.54Å; Y139-T151 VanDerWaalsContact O-CA 3.3Å; Y139-T151 WeakPolarHBondContact O-CA 3.48Å; Y139-W153 HydrophobicContact CD1-CB 4.34Å; Y139-W153 HydrophobicContact CD2-CB 4.21Å; Y139-W153 HydrophobicContact CE1-CB 4.09Å; Y139-W153 HydrophobicContact CE2-CB 3.95Å; Y139-W153 HydrophobicContact CG-CB 4.4Å; Y139-R171 CarbonylContact C-O 3.52Å; Y139-R171 WeakPolarHBondContact CA-O 3.15Å; Y139-V172 HydrophobicContact CD1-CB 4.33Å; Y139-V172 HydrophobicContact CD1-CG1 4.28Å; Y139-V172 HydrophobicContact CD1-CG2 3.34Å; Y139-V172 HydrophobicContact CE1-CB 4.35Å; Y139-V172 HydrophobicContact CE1-CG1 3.99Å; Y139-V172 HydrophobicContact CE1-CG2 3.43Å; Y139-V172 VanDerWaalsContact CE1-CG2 3.43Å; Y139-V172 HydrophobicContact CG-CG2 4.44Å |
| 140 | E | 78.4 | Confident | 70.9 | Confident | 34 Ų | 34 | 63.2 Ų | 63.2 | 16% | 0.159 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 120.6 | 174 | -69.2 | 178.6 | 175.2 | 0 | 0 | 109.3 | R138 L148 C170 R171 | R138-E140 IonicContact NE-OE1 3.78Å; E140-L148 HydrophobicContact CB-CD1 3.68Å; E140-L148 HydrophobicContact CG-CD1 4.06Å; E140-C170 CarbonylContact O-C 3.09Å; E140-C170 VanDerWaalsContact O-CA 3.31Å; E140-C170 WeakPolarHBondContact O-CA 3.12Å; E140-R171 HydrophobicContact CB-CB 4.45Å; E140-R171 PolarHBondContact N-O 3.38Å; E140-R171 PolarHBondContact O-N 2.72Å |
| 141 | W | 82.8 | Confident | 72.1 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 130.5 | 175.2 | -75.8 | 97 | 0 | 0 | 0 | 110.2 | I121 C123 L148 V149 G150 Q152 L155 V169 C170 | I121-W141 HydrophobicContact CB-CH2 4.26Å; I121-W141 HydrophobicContact CD1-CE3 3.96Å; I121-W141 HydrophobicContact CD1-CH2 3.94Å; I121-W141 HydrophobicContact CD1-CZ3 3.54Å; I121-W141 HydrophobicContact CG1-CH2 4.09Å; I121-W141 HydrophobicContact CG1-CZ3 4.23Å; C123-W141 HydrophobicContact CB-CH2 4.44Å; C123-W141 HydrophobicContact CB-CZ2 3.68Å; W141-L148 CarbonylContact O-C 3.54Å; W141-L148 WeakPolarHBondContact O-CA 3.49Å; W141-L148 WeakPolarHBondContact O-CD1 3.11Å; W141-V149 HydrophobicContact CB-CG2 3.78Å; W141-V149 WeakPolarHBondContact O-CG2 2.79Å; W141-V149 PolarHBondContact O-N 3.13Å; W141-G150 WeakPolarHBondContact CB-O 2.84Å; W141-G150 PolarHBondContact N-O 3.18Å; W141-Q152 PolarHBondContact NE1-O 3.32Å; W141-L155 HydrophobicContact CB-CD1 4.49Å; W141-L155 HydrophobicContact CB-CD2 4.08Å; W141-L155 HydrophobicContact CD2-CB 3.95Å; W141-L155 HydrophobicContact CD2-CD2 4.15Å; W141-L155 HydrophobicContact CE3-CD2 4.16Å; W141-L155 HydrophobicContact CG-CB 4Å; W141-L155 HydrophobicContact CG-CD2 4.14Å; W141-L155 HydrophobicContact CG-CG 4.49Å; W141-V169 CarbonylContact C-O 3.51Å; W141-V169 WeakPolarHBondContact CA-O 3.15Å; W141-C170 HydrophobicContact CD2-CB 3.75Å; W141-C170 HydrophobicContact CE3-CB 3.64Å; W141-C170 HydrophobicContact CH2-CB 3.5Å; W141-C170 VanDerWaalsContact CH2-CB 3.5Å; W141-C170 HydrophobicContact CZ2-CB 3.63Å; W141-C170 HydrophobicContact CZ3-CB 3.5Å; W141-C170 VanDerWaalsContact CZ3-CB 3.5Å |
| 142 | R | 77.7 | Confident | 72.9 | Confident | 107 Ų | 107 | 68 Ų | 68 | 40% | 0.404 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 134 | 174.9 | -71 | -174.8 | -178.1 | -98.6 | 0.3 | 110.1 | G146 T147 Y168 V169 | R142-G146 PolarHBondContact NH1-O 2.67Å; R142-T147 CarbonylContact C-O 3.58Å; R142-T147 WeakPolarHBondContact CA-O 2.68Å; R142-Y168 VanDerWaalsContact O-CA 3.28Å; R142-Y168 WeakPolarHBondContact O-CA 2.99Å; R142-V169 PolarHBondContact N-O 2.67Å; R142-V169 PolarHBondContact O-N 2.64Å |
| 143 | N | 75.4 | Confident | 73.7 | Confident | 27 Ų | 27 | 66.5 Ų | 66.5 | 14% | 0.144 | 36% | 0.363 | C | S | . | . | trans | -77.1 | 175.3 | 179.9 | 65.4 | -4.2 | 0 | 0 | 0 | 110.6 | N145 G146 T147 V149 Y168 | N143-N145 PolarHBondContact O-N 3.42Å; N143-N145 PolarHBondContact OD1-N 2.76Å; N143-G146 WeakPolarHBondContact O-CA 3.46Å; N143-G146 PolarHBondContact O-N 0.65Å; N143-G146 PolarHBondContact OD1-N 3.34Å; N143-G146 VanDerWaalsContact OD1-N 3.13Å; N143-T147 PolarHBondContact N-O 2.34Å; N143-T147 PolarHBondContact ND2-OG1 2.41Å; N143-T147 WeakPolarHBondContact OD1-CA 3.21Å; N143-T147 WeakPolarHBondContact OD1-CB 3.22Å; N143-T147 PolarHBondContact OD1-N 3.23Å; N143-T147 PolarHBondContact OD1-O 2.47Å; N143-T147 PolarHBondContact OD1-OG1 3.05Å; N143-V149 HydrophobicContact CB-CG1 3.64Å; N143-V149 HydrophobicContact CB-CG2 4.39Å; N143-Y168 HydrophobicContact CB-CD1 4.09Å; N143-Y168 HydrophobicContact CB-CE1 3.65Å | ||
| 144 | P | 67 | Low | 74.3 | Confident | 9 Ų | 9 | 66.9 Ų | 66.9 | 6% | 0.058 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -21.5 | -175.3 | -24.9 | 31.4 | 0 | 0 | 0 | 111.9 | G146 Y168 | P144-G146 PolarHBondContact O-N 3.03Å; P144-Y168 HydrophobicContact CG-CD2 4.42Å; P144-Y168 HydrophobicContact CG-CE2 4.02Å |
| 145 | N | 62.2 | Low | 75.1 | Confident | 115 Ų | 115 | 66.9 Ų | 66.9 | 62% | 0.615 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 4.9 | 178.7 | -65.5 | -20.2 | 0 | 0 | 0 | 110.8 | N143 | N143-N145 PolarHBondContact O-N 3.42Å; N143-N145 PolarHBondContact OD1-N 2.76Å |
| 146 | G | 62.3 | Low | 75.7 | Confident | 23 Ų | 23 | 70.4 Ų | 70.4 | 24% | 0.237 | 35% | 0.352 | C | S | . | . | S | Bend | trans | 83.1 | 0 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R142 N143 P144 | R142-G146 PolarHBondContact NH1-O 2.67Å; N143-G146 WeakPolarHBondContact O-CA 3.46Å; N143-G146 PolarHBondContact O-N 0.65Å; N143-G146 PolarHBondContact OD1-N 3.34Å; N143-G146 VanDerWaalsContact OD1-N 3.13Å; P144-G146 PolarHBondContact O-N 3.03Å |
| 147 | T | 69.1 | Low | 76 | Confident | 70 Ų | 70 | 66.3 Ų | 66.3 | 43% | 0.429 | 32% | 0.323 | S | S | . | . | 0 | 138.6 | 0 | 52.9 | 0 | 0 | 0 | 0 | 110.1 | R142 N143 V149 | R142-T147 CarbonylContact C-O 3.58Å; R142-T147 WeakPolarHBondContact CA-O 2.68Å; N143-T147 PolarHBondContact N-O 2.34Å; N143-T147 PolarHBondContact ND2-OG1 2.41Å; N143-T147 WeakPolarHBondContact OD1-CA 3.21Å; N143-T147 WeakPolarHBondContact OD1-CB 3.22Å; N143-T147 PolarHBondContact OD1-N 3.23Å; N143-T147 PolarHBondContact OD1-O 2.47Å; N143-T147 PolarHBondContact OD1-OG1 3.05Å; T147-V149 PolarHBondContact O-N 2.72Å | |||
| 148 | L | 73.9 | Confident | 75.5 | Confident | 89 Ų | 89 | 65.9 Ų | 65.9 | 47% | 0.466 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 120 | 179.5 | -177.5 | 74.6 | 0 | 0 | 0 | 110.7 | E140 W141 T151 | E140-L148 HydrophobicContact CB-CD1 3.68Å; E140-L148 HydrophobicContact CG-CD1 4.06Å; W141-L148 CarbonylContact O-C 3.54Å; W141-L148 WeakPolarHBondContact O-CA 3.49Å; W141-L148 WeakPolarHBondContact O-CD1 3.11Å; L148-T151 HydrophobicContact CD2-CG2 4.06Å |
| 149 | V | 77.7 | Confident | 75 | Confident | 59 Ų | 59 | 65.5 Ų | 65.5 | 36% | 0.358 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | -8.2 | -172.9 | -75.9 | 0 | 0 | 0 | 0 | 108.9 | W141 N143 T147 L155 Y168 | W141-V149 HydrophobicContact CB-CG2 3.78Å; W141-V149 WeakPolarHBondContact O-CG2 2.79Å; W141-V149 PolarHBondContact O-N 3.13Å; N143-V149 HydrophobicContact CB-CG1 3.64Å; N143-V149 HydrophobicContact CB-CG2 4.39Å; T147-V149 PolarHBondContact O-N 2.72Å; V149-L155 HydrophobicContact CG2-CD1 4.3Å; V149-L155 HydrophobicContact CG2-CD2 3.84Å; V149-Y168 HydrophobicContact CG2-CD1 4.49Å |
| 150 | G | 79.3 | Confident | 74.5 | Confident | 16 Ų | 16 | 62.7 Ų | 62.7 | 17% | 0.165 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.2 | 0 | 179 | 0 | 0 | 0 | 0 | 0 | 110.1 | W141 | W141-G150 WeakPolarHBondContact CB-O 2.84Å; W141-G150 PolarHBondContact N-O 3.18Å |
| 151 | T | 82.3 | Confident | 74.2 | Confident | 94 Ų | 94 | 65.6 Ų | 65.6 | 58% | 0.577 | 34% | 0.341 | S | S | * | . | 0 | 13.2 | 0 | 51.9 | 0 | 0 | 0 | 0 | 109.5 | Y139 L148 | Y139-T151 CarbonylContact O-C 3.54Å; Y139-T151 VanDerWaalsContact O-CA 3.3Å; Y139-T151 WeakPolarHBondContact O-CA 3.48Å; L148-T151 HydrophobicContact CD2-CG2 4.06Å | |||
| 152 | Q | 80 | Confident | 73.2 | Confident | 120 Ų | 120 | 68.5 Ų | 68.5 | 56% | 0.561 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -107.1 | 0 | -178.7 | -67.7 | -169.7 | -35.4 | 0 | 0 | 109.6 | W141 K154 | W141-Q152 PolarHBondContact NE1-O 3.32Å; Q152-K154 WeakPolarHBondContact CB-O 2.77Å; Q152-K154 PolarHBondContact O-N 2.68Å |
| 153 | W | 78.6 | Confident | 72.9 | Confident | 137 Ų | 137 | 70.5 Ų | 70.5 | 52% | 0.519 | 37% | 0.372 | S | S | . | . | S | Bend | 0 | 0 | 0 | 63.5 | -87.6 | 0 | 0 | 0 | 111.1 | L122 C123 Y139 | L122-W153 HydrophobicContact CD1-CZ3 4.33Å; L122-W153 HydrophobicContact CD2-CE3 3.54Å; L122-W153 HydrophobicContact CD2-CH2 3.79Å; L122-W153 HydrophobicContact CD2-CZ3 2.95Å; L122-W153 HydrophobicContact CG-CZ3 4.11Å; C123-W153 WeakPolarHBondContact CB-O 3.48Å; C123-W153 PolarHBondContact N-O 0.97Å; Y139-W153 HydrophobicContact CD1-CB 4.34Å; Y139-W153 HydrophobicContact CD2-CB 4.21Å; Y139-W153 HydrophobicContact CE1-CB 4.09Å; Y139-W153 HydrophobicContact CE2-CB 3.95Å; Y139-W153 HydrophobicContact CG-CB 4.4Å | |
| 154 | K | 76 | Confident | 72.7 | Confident | 85 Ų | 85 | 72.6 Ų | 72.6 | 37% | 0.37 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 135 | 0 | 67 | 177.6 | 179.5 | -177.5 | 0 | 110 | L122 Q152 | L122-K154 HydrophobicContact CD2-CB 3.83Å; Q152-K154 WeakPolarHBondContact CB-O 2.77Å; Q152-K154 PolarHBondContact O-N 2.68Å | |
| 155 | L | 82.2 | Confident | 73 | Confident | 13 Ų | 13 | 74.5 Ų | 74.5 | 7% | 0.068 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 0 | 173.7 | -178.9 | 69.7 | 0 | 0 | 0 | 109.9 | I121 W141 V149 L157 Y168 | I121-L155 HydrophobicContact CD1-CB 4.08Å; I121-L155 HydrophobicContact CD1-CD2 3.67Å; I121-L155 HydrophobicContact CD1-CG 4.34Å; I121-L155 HydrophobicContact CG1-CB 3.77Å; I121-L155 HydrophobicContact CG1-CD2 4.29Å; I121-L155 HydrophobicContact CG1-CG 4.41Å; I121-L155 WeakPolarHBondContact CG1-O 3.31Å; I121-L155 PolarHBondContact N-O 2.1Å; I121-L155 PolarHBondContact O-N 3.41Å; W141-L155 HydrophobicContact CB-CD1 4.49Å; W141-L155 HydrophobicContact CB-CD2 4.08Å; W141-L155 HydrophobicContact CD2-CB 3.95Å; W141-L155 HydrophobicContact CD2-CD2 4.15Å; W141-L155 HydrophobicContact CE3-CD2 4.16Å; W141-L155 HydrophobicContact CG-CB 4Å; W141-L155 HydrophobicContact CG-CD2 4.14Å; W141-L155 HydrophobicContact CG-CG 4.49Å; V149-L155 HydrophobicContact CG2-CD1 4.3Å; V149-L155 HydrophobicContact CG2-CD2 3.84Å; L155-L157 HydrophobicContact CD2-CD1 4.43Å; L155-L157 HydrophobicContact CD2-CD2 4.21Å; L155-L157 HydrophobicContact CD2-CG 4.28Å; L155-L157 HydrophobicContact CG-CD2 4.33Å; L155-L157 HydrophobicContact CG-CG 4.29Å; L155-Y168 HydrophobicContact CD2-CD1 4.17Å |
| 156 | E | 78.8 | Confident | 73.5 | Confident | 96 Ų | 96 | 69.8 Ų | 69.8 | 45% | 0.449 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 117.2 | 0 | -73.4 | -175.4 | 166.9 | 0 | 0 | 110 | R120 | R120-E156 HydrophobicContact CG-CG 3.72Å; R120-E156 IonicContact CZ-OE1 3.92Å; R120-E156 IonicContact NE-OE1 3.82Å; R120-E156 PolarHBondContact NE-OE1 2.2Å; R120-E156 VanDerWaalsContact NE-OE1 3.14Å | |
| 157 | L | 75.5 | Confident | 74.1 | Confident | 28 Ų | 28 | 69.3 Ų | 69.3 | 15% | 0.147 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 108.1 | 177.1 | -61 | 165.7 | 0 | 0 | 0 | 110.2 | L118 V119 L155 I160 Y168 I189 | L118-L157 WeakPolarHBondContact CA-O 3.06Å; V119-L157 PolarHBondContact N-O 2.72Å; V119-L157 VanDerWaalsContact N-O 3.13Å; V119-L157 PolarHBondContact O-N 2.76Å; L155-L157 HydrophobicContact CD2-CD1 4.43Å; L155-L157 HydrophobicContact CD2-CD2 4.21Å; L155-L157 HydrophobicContact CD2-CG 4.28Å; L155-L157 HydrophobicContact CG-CD2 4.33Å; L155-L157 HydrophobicContact CG-CG 4.29Å; L157-I160 HydrophobicContact CD1-CD1 3.78Å; L157-Y168 HydrophobicContact CD1-CE1 4.03Å; L157-Y168 HydrophobicContact CD1-CE2 4.38Å; L157-I189 HydrophobicContact CD1-CD1 3.99Å |
| 158 | G | 66.8 | Low | 74.7 | Confident | 48 Ų | 48 | 66.2 Ų | 66.2 | 50% | 0.495 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -87.4 | 0 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 159 | H | 64.7 | Low | 74.9 | Confident | 146 Ų | 146 | 62.3 Ų | 62.3 | 68% | 0.676 | 33% | 0.325 | S | S | * | . | S | Bend | 0 | 0 | 0 | -66.1 | -81.5 | 0 | 0 | 0 | 110.8 | |||
| 160 | I | 73.2 | Confident | 75 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | 0 | 0 | 0 | -169.5 | 159.9 | 0 | 0 | 0 | 109.9 | E115 G116 V119 L157 E164 I189 V191 | E115-I160 WeakPolarHBondContact CA-O 3.4Å; E115-I160 VanDerWaalsContact CG-O 3.3Å; E115-I160 WeakPolarHBondContact CG-O 3.12Å; G116-I160 PolarHBondContact N-O 3.06Å; G116-I160 VanDerWaalsContact N-O 3.11Å; V119-I160 HydrophobicContact CG2-CD1 4.47Å; V119-I160 HydrophobicContact CG2-CG2 4.08Å; L157-I160 HydrophobicContact CD1-CD1 3.78Å; I160-E164 WeakPolarHBondContact CA-OE2 3.46Å; I160-E164 HydrophobicContact CG1-CB 4.21Å; I160-E164 WeakPolarHBondContact CG1-OE2 2.75Å; I160-I189 HydrophobicContact CD1-CD1 4.44Å; I160-I189 HydrophobicContact CD1-CG2 3.72Å; I160-V191 HydrophobicContact CB-CG2 4.49Å; I160-V191 HydrophobicContact CD1-CG2 3.47Å; I160-V191 VanDerWaalsContact CD1-CG2 3.47Å; I160-V191 HydrophobicContact CG1-CG1 4.38Å; I160-V191 HydrophobicContact CG1-CG2 3.44Å; I160-V191 VanDerWaalsContact CG1-CG2 3.44Å; I160-V191 HydrophobicContact CG2-CG1 3.98Å; I160-V191 HydrophobicContact CG2-CG2 4.27Å | |||
| 161 | K | 73.5 | Confident | 75 | Confident | 96 Ų | 96 | 63.2 Ų | 63.2 | 42% | 0.417 | 32% | 0.317 | S | S | . | . | 0 | 0 | 0 | -61.8 | -76.4 | -174.8 | -176.4 | 0 | 110.1 | E115 H163 E164 | E115-K161 HydrophobicContact CG-CD 4.08Å; E115-K161 WeakPolarHBondContact OE1-CD 2.11Å; E115-K161 IonicContact OE1-NZ 2.6Å; E115-K161 PolarHBondContact OE1-NZ 1.97Å; K161-H163 WeakPolarHBondContact CB-CE1 2.45Å; K161-H163 WeakPolarHBondContact CB-ND1 3.16Å; K161-H163 PolarHBondContact O-N 3.12Å; K161-E164 HydrophobicContact CB-CG 4.44Å; K161-E164 PolarHBondContact N-OE2 3.06Å; K161-E164 VanDerWaalsContact O-CB 3.24Å; K161-E164 WeakPolarHBondContact O-CB 3.36Å; K161-E164 PolarHBondContact O-N 2.58Å | |||
| 162 | V | 61.9 | Low | 74.7 | Confident | 60 Ų | 60 | 58.9 Ų | 58.9 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | G | 310 helix | 0 | -37.4 | 0 | 174.5 | 0 | 0 | 0 | 0 | 109.4 | E164 S165 P193 | V162-E164 PolarHBondContact O-N 2.03Å; V162-S165 WeakPolarHBondContact O-CB 3.42Å; V162-S165 PolarHBondContact O-N 3.34Å; V162-S165 PolarHBondContact O-OG 2.01Å; V162-P193 HydrophobicContact CG2-CB 4.18Å; V162-P193 HydrophobicContact CG2-CG 4.26Å | |
| 163 | H | 70.6 | Confident | 74.6 | Confident | 149 Ų | 149 | 53.6 Ų | 53.6 | 69% | 0.69 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -72.6 | 0 | -177.1 | 64.1 | -72.6 | 0 | 0 | 0 | 111.4 | K161 S165 | K161-H163 WeakPolarHBondContact CB-CE1 2.45Å; K161-H163 WeakPolarHBondContact CB-ND1 3.16Å; K161-H163 PolarHBondContact O-N 3.12Å; H163-S165 PolarHBondContact O-N 2.47Å |
| 164 | E | 71.5 | Confident | 74.4 | Confident | 72 Ų | 72 | 47.9 Ų | 47.9 | 34% | 0.336 | 25% | 0.245 | S | C | . | . | G | 310 helix | 0 | 0 | 0 | -70.1 | -179.9 | 151.7 | 0 | 0 | 110.2 | I160 K161 V162 G166 Y168 | I160-E164 WeakPolarHBondContact CA-OE2 3.46Å; I160-E164 HydrophobicContact CG1-CB 4.21Å; I160-E164 WeakPolarHBondContact CG1-OE2 2.75Å; K161-E164 HydrophobicContact CB-CG 4.44Å; K161-E164 PolarHBondContact N-OE2 3.06Å; K161-E164 VanDerWaalsContact O-CB 3.24Å; K161-E164 WeakPolarHBondContact O-CB 3.36Å; K161-E164 PolarHBondContact O-N 2.58Å; V162-E164 PolarHBondContact O-N 2.03Å; E164-G166 PolarHBondContact O-N 2.99Å; E164-Y168 PolarHBondContact O-OH 3.33Å; E164-Y168 VanDerWaalsContact O-OH 3.07Å | |
| 165 | S | 72.2 | Confident | 73.8 | Confident | 48 Ų | 48 | 49 Ų | 49 | 34% | 0.336 | 25% | 0.251 | S | S | . | . | 0 | 130.4 | 0 | 59.2 | 0 | 0 | 0 | 0 | 110.3 | V162 H163 I189 | V162-S165 WeakPolarHBondContact O-CB 3.42Å; V162-S165 PolarHBondContact O-N 3.34Å; V162-S165 PolarHBondContact O-OG 2.01Å; H163-S165 PolarHBondContact O-N 2.47Å; S165-I189 WeakPolarHBondContact CA-O 3.1Å | |||
| 166 | G | 73.5 | Confident | 72.9 | Confident | 16 Ų | 16 | 51.7 Ų | 51.7 | 17% | 0.165 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.7 | -179.7 | 179 | 0 | 0 | 0 | 0 | 0 | 110.2 | E164 I189 | E164-G166 PolarHBondContact O-N 2.99Å; G166-I189 PolarHBondContact N-O 3.16Å; G166-I189 PolarHBondContact O-N 2.58Å |
| 167 | I | 75.2 | Confident | 72.4 | Confident | 13 Ų | 13 | 53.8 Ų | 53.8 | 7% | 0.067 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 114.3 | -173.1 | -65 | 177.8 | 0 | 0 | 0 | 109 | E29 V169 A186 T187 K188 | E29-I167 VanDerWaalsContact O-CD1 3.3Å; E29-I167 WeakPolarHBondContact O-CD1 3.36Å; I167-V169 HydrophobicContact CG2-CG2 3.79Å; I167-A186 HydrophobicContact CG2-CB 3.64Å; I167-T187 CarbonylContact C-O 3.37Å; I167-K188 HydrophobicContact CG1-CB 4.11Å; I167-K188 HydrophobicContact CG1-CD 4.47Å; I167-K188 HydrophobicContact CG1-CG 3.98Å |
| 168 | Y | 82.2 | Confident | 71.7 | Confident | 6 Ų | 6 | 61.6 Ų | 61.6 | 2% | 0.024 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 124.5 | 172.5 | -70.9 | -98.1 | 0 | 0 | 0 | 110 | I121 R142 N143 P144 V149 L155 L157 E164 A186 T187 I189 | I121-Y168 HydrophobicContact CD1-CG 4.46Å; R142-Y168 VanDerWaalsContact O-CA 3.28Å; R142-Y168 WeakPolarHBondContact O-CA 2.99Å; N143-Y168 HydrophobicContact CB-CD1 4.09Å; N143-Y168 HydrophobicContact CB-CE1 3.65Å; P144-Y168 HydrophobicContact CG-CD2 4.42Å; P144-Y168 HydrophobicContact CG-CE2 4.02Å; V149-Y168 HydrophobicContact CG2-CD1 4.49Å; L155-Y168 HydrophobicContact CD2-CD1 4.17Å; L157-Y168 HydrophobicContact CD1-CE1 4.03Å; L157-Y168 HydrophobicContact CD1-CE2 4.38Å; E164-Y168 PolarHBondContact O-OH 3.33Å; E164-Y168 VanDerWaalsContact O-OH 3.07Å; Y168-A186 CarbonylContact O-C 3.54Å; Y168-A186 VanDerWaalsContact O-CA 3.29Å; Y168-A186 WeakPolarHBondContact O-CA 2.98Å; Y168-T187 PolarHBondContact N-O 2.71Å; Y168-T187 PolarHBondContact O-N 2.96Å; Y168-I189 HydrophobicContact CD2-CB 4.04Å; Y168-I189 HydrophobicContact CD2-CD1 3.37Å; Y168-I189 HydrophobicContact CD2-CG1 3.79Å; Y168-I189 HydrophobicContact CE2-CB 4Å; Y168-I189 HydrophobicContact CE2-CD1 3.56Å; Y168-I189 HydrophobicContact CE2-CG1 4.14Å; Y168-I189 HydrophobicContact CG-CD1 4.11Å |
| 169 | V | 76.6 | Confident | 71.1 | Confident | 6 Ų | 6 | 68.8 Ų | 68.8 | 4% | 0.036 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 123.9 | -173.1 | 178.8 | 0 | 0 | 0 | 0 | 108.7 | Y28 W141 R142 I167 S185 A186 | Y28-V169 HydrophobicContact CD2-CG1 4.01Å; Y28-V169 HydrophobicContact CD2-CG2 4.29Å; Y28-V169 HydrophobicContact CE2-CG1 3.88Å; W141-V169 CarbonylContact C-O 3.51Å; W141-V169 WeakPolarHBondContact CA-O 3.15Å; R142-V169 PolarHBondContact N-O 2.67Å; R142-V169 PolarHBondContact O-N 2.64Å; I167-V169 HydrophobicContact CG2-CG2 3.79Å; V169-S185 CarbonylContact C-O 3.48Å; V169-S185 WeakPolarHBondContact CA-O 3.41Å; V169-A186 HydrophobicContact CG2-CB 4.02Å |
| 170 | C | 81.5 | Confident | 70.8 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 123 | 172.7 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | C123 E140 W141 S184 S185 | C123-C170 HydrophobicContact CB-CB 4Å; C123-C170 WeakPolarHBondContact CB-SG 3.17Å; C123-C170 WeakPolarHBondContact SG-CB 3.22Å; C123-C170 CovalentContact SG-SG 1.95Å; C123-C170 PolarHBondContact SG-SG 2.72Å; E140-C170 CarbonylContact O-C 3.09Å; E140-C170 VanDerWaalsContact O-CA 3.31Å; E140-C170 WeakPolarHBondContact O-CA 3.12Å; W141-C170 HydrophobicContact CD2-CB 3.75Å; W141-C170 HydrophobicContact CE3-CB 3.64Å; W141-C170 HydrophobicContact CH2-CB 3.5Å; W141-C170 VanDerWaalsContact CH2-CB 3.5Å; W141-C170 HydrophobicContact CZ2-CB 3.63Å; W141-C170 HydrophobicContact CZ3-CB 3.5Å; W141-C170 VanDerWaalsContact CZ3-CB 3.5Å; C170-S184 CarbonylContact O-C 3.46Å; C170-S184 VanDerWaalsContact O-C 3.32Å; C170-S184 WeakPolarHBondContact O-CA 3.06Å; C170-S185 WeakPolarHBondContact CA-O 3.21Å; C170-S185 WeakPolarHBondContact CB-OG 2Å; C170-S185 PolarHBondContact N-O 3.07Å; C170-S185 PolarHBondContact O-N 2.67Å |
| 171 | R | 78.5 | Confident | 70.1 | Confident | 95 Ų | 95 | 71.7 Ų | 71.7 | 36% | 0.358 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 124.3 | 176.7 | -176 | -178.8 | 176.6 | -178.9 | -2.4 | 110.2 | Y139 E140 S182 T183 | Y139-R171 CarbonylContact C-O 3.52Å; Y139-R171 WeakPolarHBondContact CA-O 3.15Å; E140-R171 HydrophobicContact CB-CB 4.45Å; E140-R171 PolarHBondContact N-O 3.38Å; E140-R171 PolarHBondContact O-N 2.72Å; R171-S182 PolarHBondContact NH2-OG 2.97Å; R171-T183 CarbonylContact C-O 3.5Å |
| 172 | V | 74.7 | Confident | 69.6 | Low | 3 Ų | 3 | 70 Ų | 70 | 2% | 0.018 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 122.9 | 176.2 | -178.2 | 0 | 0 | 0 | 0 | 108.8 | C123 V125 F137 R138 Y139 S182 T183 | C123-V172 WeakPolarHBondContact SG-CG2 3.49Å; V125-V172 HydrophobicContact CB-CG2 4.06Å; V125-V172 HydrophobicContact CG2-CB 4.45Å; V125-V172 HydrophobicContact CG2-CG2 3.62Å; F137-V172 HydrophobicContact CB-CG1 3.65Å; F137-V172 HydrophobicContact CD1-CG1 3.46Å; F137-V172 VanDerWaalsContact CD1-CG1 3.46Å; F137-V172 HydrophobicContact CE1-CG1 4.26Å; F137-V172 HydrophobicContact CG-CG1 3.65Å; R138-V172 CarbonylContact O-C 3.34Å; R138-V172 WeakPolarHBondContact O-CA 3.31Å; Y139-V172 HydrophobicContact CD1-CB 4.33Å; Y139-V172 HydrophobicContact CD1-CG1 4.28Å; Y139-V172 HydrophobicContact CD1-CG2 3.34Å; Y139-V172 HydrophobicContact CE1-CB 4.35Å; Y139-V172 HydrophobicContact CE1-CG1 3.99Å; Y139-V172 HydrophobicContact CE1-CG2 3.43Å; Y139-V172 VanDerWaalsContact CE1-CG2 3.43Å; Y139-V172 HydrophobicContact CG-CG2 4.44Å; V172-S182 CarbonylContact O-C 3.34Å; V172-S182 WeakPolarHBondContact O-CA 3.29Å; V172-T183 HydrophobicContact CB-CG2 3.91Å; V172-T183 PolarHBondContact N-O 3.38Å; V172-T183 PolarHBondContact O-N 2.61Å; V172-T183 VanDerWaalsContact O-O 3.1Å |
| 173 | S | 78.3 | Confident | 69.8 | Low | 8 Ų | 8 | 68.7 Ų | 68.7 | 6% | 0.056 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 141.2 | -179.9 | 58 | 0 | 0 | 0 | 0 | 110.2 | F137 R138 M181 | F137-S173 CarbonylContact C-O 3.49Å; F137-S173 WeakPolarHBondContact CA-O 3.38Å; R138-S173 VanDerWaalsContact CB-OG 3.31Å; R138-S173 WeakPolarHBondContact CB-OG 3.42Å; R138-S173 PolarHBondContact N-O 3.26Å; R138-S173 PolarHBondContact O-N 3.09Å; R138-S173 PolarHBondContact O-OG 3.1Å; S173-M181 CarbonylContact C-O 3.49Å; S173-M181 WeakPolarHBondContact CA-O 3.28Å |
| 174 | Y | 74.1 | Confident | 69.7 | Low | 18 Ų | 18 | 62.1 Ų | 62.1 | 7% | 0.071 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 151.2 | 172.3 | 57.3 | -89.1 | 0 | 0 | 0 | 109.5 | A134 G135 F137 F176 Q180 M181 | A134-Y174 HydrophobicContact CB-CD2 3.5Å; A134-Y174 VanDerWaalsContact CB-CD2 3.5Å; A134-Y174 HydrophobicContact CB-CE2 3.87Å; A134-Y174 HydrophobicContact CB-CG 4.41Å; G135-Y174 WeakPolarHBondContact O-CB 3.5Å; F137-Y174 AromaticContact CD1-CD1 3.59Å; F137-Y174 HydrophobicContact CD1-CD1 3.59Å; F137-Y174 HydrophobicContact CD1-CG 4Å; F137-Y174 AromaticContact CE1-CD1 3.29Å; F137-Y174 HydrophobicContact CE1-CD1 3.29Å; F137-Y174 AromaticContact CE1-CE1 3.86Å; F137-Y174 HydrophobicContact CE1-CE1 3.86Å; F137-Y174 AromaticContact CE1-CG 3.84Å; F137-Y174 HydrophobicContact CE1-CG 3.84Å; Y174-F176 HydrophobicContact CD2-CB 4.05Å; Y174-F176 HydrophobicContact CE2-CB 3.91Å; Y174-Q180 CarbonylContact O-C 3.45Å; Y174-M181 HydrophobicContact CD1-CB 4.37Å; Y174-M181 HydrophobicContact CD2-CB 3.93Å; Y174-M181 HydrophobicContact CE1-CB 3.91Å; Y174-M181 HydrophobicContact CE2-CB 3.41Å; Y174-M181 VanDerWaalsContact CE2-CB 3.41Å; Y174-M181 HydrophobicContact CE2-CE 4.15Å; Y174-M181 HydrophobicContact CE2-CG 3.99Å; Y174-M181 HydrophobicContact CE2-SD 3.43Å; Y174-M181 WeakPolarHBondContact CE2-SD 3.22Å; Y174-M181 HydrophobicContact CG-CB 4.39Å; Y174-M181 PolarHBondContact N-O 2.7Å; Y174-M181 WeakPolarHBondContact O-CA 3.35Å; Y174-M181 PolarHBondContact O-N 3.26Å; Y174-M181 VanDerWaalsContact O-O 3.05Å; Y174-M181 WeakPolarHBondContact OH-CE 3.36Å; Y174-M181 PolarHBondContact OH-SD 2.67Å; Y174-M181 VanDerWaalsContact OH-SD 3.36Å |
| 175 | E | 65.3 | Low | 69.6 | Low | 109 Ų | 109 | 58.9 Ų | 58.9 | 51% | 0.509 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 114.6 | -178.9 | -165.6 | 174.1 | 179 | 0 | 0 | 109.9 | A134 G135 R179 | A134-E175 CarbonylContact C-O 3.59Å; A134-E175 WeakPolarHBondContact CA-O 3.01Å; G135-E175 PolarHBondContact N-O 3.46Å; E175-R179 WeakPolarHBondContact CA-O 3.24Å |
| 176 | F | 61.9 | Low | 69.4 | Low | 69 Ų | 69 | 56.7 Ų | 56.7 | 30% | 0.303 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 115.2 | 174 | -176.9 | -111.6 | 0 | 0 | 0 | 109.3 | P131 A134 Y174 K178 R179 M181 | P131-F176 HydrophobicContact CB-CD1 4.3Å; P131-F176 HydrophobicContact CB-CD2 3.99Å; P131-F176 HydrophobicContact CB-CE1 3.9Å; P131-F176 HydrophobicContact CB-CE2 3.54Å; P131-F176 HydrophobicContact CB-CG 4.34Å; P131-F176 HydrophobicContact CB-CZ 3.49Å; P131-F176 VanDerWaalsContact CB-CZ 3.49Å; P131-F176 HydrophobicContact CG-CD1 3.99Å; P131-F176 HydrophobicContact CG-CD2 4.14Å; P131-F176 HydrophobicContact CG-CE1 4.02Å; P131-F176 HydrophobicContact CG-CE2 4.16Å; P131-F176 HydrophobicContact CG-CG 4.04Å; P131-F176 HydrophobicContact CG-CZ 4.11Å; A134-F176 HydrophobicContact CB-CB 4.02Å; A134-F176 HydrophobicContact CB-CD2 3.72Å; A134-F176 HydrophobicContact CB-CG 4.25Å; Y174-F176 HydrophobicContact CD2-CB 4.05Å; Y174-F176 HydrophobicContact CE2-CB 3.91Å; F176-K178 PolarHBondContact O-N 2.6Å; F176-R179 PolarHBondContact N-O 2.76Å; F176-R179 WeakPolarHBondContact O-CB 3.23Å; F176-R179 PolarHBondContact O-N 2.69Å; F176-M181 HydrophobicContact CB-CG 4.4Å; F176-M181 HydrophobicContact CB-SD 3.79Å; F176-M181 HydrophobicContact CD1-SD 4.05Å; F176-M181 HydrophobicContact CG-SD 4.3Å |
| 177 | D | 68.4 | Low | 69.5 | Low | 139 Ų | 139 | 56.1 Ų | 56.1 | 74% | 0.743 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 0 | -178.9 | -149.5 | 12.2 | 0 | 0 | 0 | 111.1 | R179 | D177-R179 PolarHBondContact O-N 2.7Š|
| 178 | K | 61.1 | Low | 69.4 | Low | 193 Ų | 193 | 59.6 Ų | 59.6 | 84% | 0.839 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -67 | -167.6 | -178.5 | 177.6 | 0 | 111 | F176 | F176-K178 PolarHBondContact O-N 2.6Š| |
| 179 | R | 54 | Low | 69 | Low | 199 Ų | 199 | 59.3 Ų | 59.3 | 75% | 0.751 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | 0 | 130.3 | 0 | -81.8 | -175.6 | 176.3 | -171.9 | -0.8 | 110.2 | E175 F176 D177 M181 | E175-R179 WeakPolarHBondContact CA-O 3.24Å; F176-R179 PolarHBondContact N-O 2.76Å; F176-R179 WeakPolarHBondContact O-CB 3.23Å; F176-R179 PolarHBondContact O-N 2.69Å; D177-R179 PolarHBondContact O-N 2.7Å; R179-M181 PolarHBondContact O-N 1.2Å; R179-M181 VanDerWaalsContact O-N 3.13Å | |
| 180 | Q | 59.6 | Low | 68.4 | Low | 133 Ų | 133 | 61.6 Ų | 61.6 | 62% | 0.621 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 103.3 | -178.4 | -87.6 | -153 | -18.9 | 0 | 0 | 110.2 | Y174 | Y174-Q180 CarbonylContact O-C 3.45Å |
| 181 | M | 58.6 | Low | 67.8 | Low | 73 Ų | 73 | 62 Ų | 62 | 36% | 0.36 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 129.3 | 176.5 | -72.6 | -177.4 | 72.2 | 0 | 0 | 110.6 | P131 S173 Y174 F176 R179 | P131-M181 HydrophobicContact CG-SD 4.49Å; S173-M181 CarbonylContact C-O 3.49Å; S173-M181 WeakPolarHBondContact CA-O 3.28Å; Y174-M181 HydrophobicContact CD1-CB 4.37Å; Y174-M181 HydrophobicContact CD2-CB 3.93Å; Y174-M181 HydrophobicContact CE1-CB 3.91Å; Y174-M181 HydrophobicContact CE2-CB 3.41Å; Y174-M181 VanDerWaalsContact CE2-CB 3.41Å; Y174-M181 HydrophobicContact CE2-CE 4.15Å; Y174-M181 HydrophobicContact CE2-CG 3.99Å; Y174-M181 HydrophobicContact CE2-SD 3.43Å; Y174-M181 WeakPolarHBondContact CE2-SD 3.22Å; Y174-M181 HydrophobicContact CG-CB 4.39Å; Y174-M181 PolarHBondContact N-O 2.7Å; Y174-M181 WeakPolarHBondContact O-CA 3.35Å; Y174-M181 PolarHBondContact O-N 3.26Å; Y174-M181 VanDerWaalsContact O-O 3.05Å; Y174-M181 WeakPolarHBondContact OH-CE 3.36Å; Y174-M181 PolarHBondContact OH-SD 2.67Å; Y174-M181 VanDerWaalsContact OH-SD 3.36Å; F176-M181 HydrophobicContact CB-CG 4.4Å; F176-M181 HydrophobicContact CB-SD 3.79Å; F176-M181 HydrophobicContact CD1-SD 4.05Å; F176-M181 HydrophobicContact CG-SD 4.3Å; R179-M181 PolarHBondContact O-N 1.2Å; R179-M181 VanDerWaalsContact O-N 3.13Å |
| 182 | S | 62.2 | Low | 66.9 | Low | 61 Ų | 61 | 59.1 Ų | 59.1 | 43% | 0.427 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 133.8 | -177.7 | 64.1 | 0 | 0 | 0 | 0 | 109.8 | R171 V172 | R171-S182 PolarHBondContact NH2-OG 2.97Å; V172-S182 CarbonylContact O-C 3.34Å; V172-S182 WeakPolarHBondContact O-CA 3.29Å |
| 183 | T | 66.1 | Low | 66.2 | Low | 32 Ų | 32 | 62.3 Ų | 62.3 | 20% | 0.196 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 142.1 | 169.6 | -175.4 | 0 | 0 | 0 | 0 | 110.2 | V125 R171 V172 | V125-T183 HydrophobicContact CB-CG2 4.02Å; V125-T183 HydrophobicContact CG1-CG2 2.81Å; V125-T183 HydrophobicContact CG2-CG2 4.34Å; R171-T183 CarbonylContact C-O 3.5Å; V172-T183 HydrophobicContact CB-CG2 3.91Å; V172-T183 PolarHBondContact N-O 3.38Å; V172-T183 PolarHBondContact O-N 2.61Å; V172-T183 VanDerWaalsContact O-O 3.1Å |
| 184 | S | 68.4 | Low | 65.5 | Low | 11 Ų | 11 | 69 Ų | 69 | 8% | 0.077 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 140.5 | -175 | 57.2 | 0 | 0 | 0 | 0 | 109.9 | Y28 C170 | Y28-S184 WeakPolarHBondContact CE1-OG 3.4Å; Y28-S184 VanDerWaalsContact OH-CB 3.28Å; Y28-S184 WeakPolarHBondContact OH-CB 3.06Å; Y28-S184 PolarHBondContact OH-OG 2.87Å; C170-S184 CarbonylContact O-C 3.46Å; C170-S184 VanDerWaalsContact O-C 3.32Å; C170-S184 WeakPolarHBondContact O-CA 3.06Å |
| 185 | S | 68.7 | Low | 65 | Low | 5 Ų | 5 | 68.4 Ų | 68.4 | 4% | 0.035 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 134.8 | 168.7 | 80.7 | 0 | 0 | 0 | 0 | 110.5 | V169 C170 | V169-S185 CarbonylContact C-O 3.48Å; V169-S185 WeakPolarHBondContact CA-O 3.41Å; C170-S185 WeakPolarHBondContact CA-O 3.21Å; C170-S185 WeakPolarHBondContact CB-OG 2Å; C170-S185 PolarHBondContact N-O 3.07Å; C170-S185 PolarHBondContact O-N 2.67Å |
| 186 | A | 69 | Low | 65.4 | Low | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.008 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 137 | 179 | 0 | 0 | 0 | 0 | 0 | 110.1 | A105 S107 I108 I109 I167 Y168 V169 | A105-A186 HydrophobicContact CB-CB 3.34Å; S107-A186 PolarHBondContact O-N 2.53Å; S107-A186 VanDerWaalsContact O-N 3.08Å; I108-A186 CarbonylContact C-O 3.54Å; I108-A186 WeakPolarHBondContact CA-O 3.2Å; I108-A186 HydrophobicContact CG1-CB 4.11Å; I109-A186 PolarHBondContact N-O 1.61Å; I109-A186 VanDerWaalsContact N-O 3.08Å; I167-A186 HydrophobicContact CG2-CB 3.64Å; Y168-A186 CarbonylContact O-C 3.54Å; Y168-A186 VanDerWaalsContact O-CA 3.29Å; Y168-A186 WeakPolarHBondContact O-CA 2.98Å; V169-A186 HydrophobicContact CG2-CB 4.02Å |
| 187 | T | 75.1 | Confident | 66.3 | Low | 5 Ų | 5 | 61.3 Ų | 61.3 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 114.5 | 173.2 | -54.3 | 0 | 0 | 0 | 0 | 109.6 | I109 I121 I167 Y168 I189 | I109-T187 HydrophobicContact CB-CG2 4.46Å; I109-T187 CarbonylContact O-C 3.54Å; I109-T187 WeakPolarHBondContact O-CA 3.39Å; I109-T187 WeakPolarHBondContact O-CG2 3.43Å; I121-T187 HydrophobicContact CG2-CG2 3.99Å; I167-T187 CarbonylContact C-O 3.37Å; Y168-T187 PolarHBondContact N-O 2.71Å; Y168-T187 PolarHBondContact O-N 2.96Å; T187-I189 HydrophobicContact CG2-CG1 4.19Å; T187-I189 PolarHBondContact O-N 2.19Å |
| 188 | K | 72.8 | Confident | 66.9 | Low | 86 Ų | 86 | 58.4 Ų | 58.4 | 37% | 0.374 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 110.9 | 173.9 | -173.6 | 175.3 | -176.9 | 178.2 | 0 | 110.9 | I108 I109 T110 Q111 I167 N190 | I108-K188 HydrophobicContact CG2-CB 4.02Å; I109-K188 PolarHBondContact O-N 2.68Å; T110-K188 CarbonylContact C-O 3.51Å; T110-K188 WeakPolarHBondContact CA-O 3.22Å; T110-K188 HydrophobicContact CG2-CB 4.13Å; T110-K188 HydrophobicContact CG2-CD 4.21Å; T110-K188 HydrophobicContact CG2-CG 4.26Å; Q111-K188 PolarHBondContact N-O 2.84Å; I167-K188 HydrophobicContact CG1-CB 4.11Å; I167-K188 HydrophobicContact CG1-CD 4.47Å; I167-K188 HydrophobicContact CG1-CG 3.98Å; K188-N190 WeakPolarHBondContact CE-OD1 2.87Å |
| 189 | I | 73.8 | Confident | 67.9 | Low | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 105.3 | 177.1 | -63.2 | 176.3 | 0 | 0 | 0 | 108.8 | Q111 V113 V119 I121 L157 I160 S165 G166 Y168 T187 V191 | Q111-I189 WeakPolarHBondContact O-CA 3.38Å; V113-I189 HydrophobicContact CG2-CG2 4.27Å; V119-I189 HydrophobicContact CG1-CD1 4.28Å; I121-I189 HydrophobicContact CD1-CD1 4.02Å; I121-I189 HydrophobicContact CG2-CD1 4.12Å; L157-I189 HydrophobicContact CD1-CD1 3.99Å; I160-I189 HydrophobicContact CD1-CD1 4.44Å; I160-I189 HydrophobicContact CD1-CG2 3.72Å; S165-I189 WeakPolarHBondContact CA-O 3.1Å; G166-I189 PolarHBondContact N-O 3.16Å; G166-I189 PolarHBondContact O-N 2.58Å; Y168-I189 HydrophobicContact CD2-CB 4.04Å; Y168-I189 HydrophobicContact CD2-CD1 3.37Å; Y168-I189 HydrophobicContact CD2-CG1 3.79Å; Y168-I189 HydrophobicContact CE2-CB 4Å; Y168-I189 HydrophobicContact CE2-CD1 3.56Å; Y168-I189 HydrophobicContact CE2-CG1 4.14Å; Y168-I189 HydrophobicContact CG-CD1 4.11Å; T187-I189 HydrophobicContact CG2-CG1 4.19Å; T187-I189 PolarHBondContact O-N 2.19Å; I189-V191 HydrophobicContact CG2-CG2 3.68Å; I189-V191 PolarHBondContact O-N 2.85Å |
| 190 | N | 65.3 | Low | 68.8 | Low | 53 Ų | 53 | 42.3 Ų | 42.3 | 28% | 0.283 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 104.2 | 171 | -73.3 | -19.6 | 0 | 0 | 0 | 111.1 | Q111 D112 V113 K188 I192 | Q111-N190 PolarHBondContact O-N 2.99Å; D112-N190 WeakPolarHBondContact CA-O 3.32Å; D112-N190 VanDerWaalsContact OD1-CB 3.28Å; D112-N190 WeakPolarHBondContact OD1-CB 3.47Å; V113-N190 PolarHBondContact N-O 2.94Å; K188-N190 WeakPolarHBondContact CE-OD1 2.87Å; N190-I192 WeakPolarHBondContact O-CG1 3.21Å; N190-I192 PolarHBondContact O-N 3.16Å |
| 191 | V | 69 | Low | 69.3 | Low | 8 Ų | 8 | 40.3 Ų | 40.3 | 5% | 0.048 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 106.9 | -179.9 | -176.2 | 0 | 0 | 0 | 0 | 108.7 | V113 E115 I160 I189 | V113-V191 CarbonylContact O-C 3.55Å; V113-V191 WeakPolarHBondContact O-CA 3.37Å; E115-V191 HydrophobicContact CB-CG1 4.29Å; I160-V191 HydrophobicContact CB-CG2 4.49Å; I160-V191 HydrophobicContact CD1-CG2 3.47Å; I160-V191 VanDerWaalsContact CD1-CG2 3.47Å; I160-V191 HydrophobicContact CG1-CG1 4.38Å; I160-V191 HydrophobicContact CG1-CG2 3.44Å; I160-V191 VanDerWaalsContact CG1-CG2 3.44Å; I160-V191 HydrophobicContact CG2-CG1 3.98Å; I160-V191 HydrophobicContact CG2-CG2 4.27Å; I189-V191 HydrophobicContact CG2-CG2 3.68Å; I189-V191 PolarHBondContact O-N 2.85Å |
| 192 | I | 59.1 | Low | 69.4 | Low | 36 Ų | 36 | 38.4 Ų | 38.4 | 19% | 0.185 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 125.4 | -179.3 | -38.1 | 163.8 | 0 | 0 | 0 | 109.1 | D112 V113 E114 E115 N190 R194 A224 | D112-I192 HydrophobicContact CB-CD1 3.25Å; D112-I192 HydrophobicContact CB-CG1 4.23Å; V113-I192 PolarHBondContact O-N 2.68Å; E114-I192 WeakPolarHBondContact CA-O 3.09Å; E115-I192 PolarHBondContact N-O 3.08Å; N190-I192 WeakPolarHBondContact O-CG1 3.21Å; N190-I192 PolarHBondContact O-N 3.16Å; I192-R194 PolarHBondContact O-N 3.38Å; I192-A224 HydrophobicContact CD1-CB 3.68Å |
| 193 | P | 60.2 | Low | 68.7 | Low | 69 Ų | 69 | 45.1 Ų | 45.1 | 45% | 0.448 | 25% | 0.247 | S | C | . | . | trans | -39 | 130.2 | 177.8 | -8 | 11.4 | 0 | 0 | 0 | 111.8 | V162 A195 | V162-P193 HydrophobicContact CG2-CB 4.18Å; V162-P193 HydrophobicContact CG2-CG 4.26Å; P193-A195 PolarHBondContact O-N 3.4Å | ||
| 194 | R | 63.7 | Low | 68.4 | Low | 150 Ų | 150 | 46.2 Ų | 46.2 | 57% | 0.566 | 27% | 0.265 | S | S | * | . | trans | -28.2 | 0 | 173 | -162.3 | 174.2 | -179 | -166.7 | -0.6 | 111.1 | E115 I192 G196 | E115-R194 HydrophobicContact CB-CB 4.22Å; I192-R194 PolarHBondContact O-N 3.38Å; R194-G196 VanDerWaalsContact C-N 3.31Å; R194-G196 PolarHBondContact O-N 2.99Å | ||
| 195 | A | 63.6 | Low | 68.6 | Low | 5 Ų | 5 | 48.6 Ų | 48.6 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | 0 | 112.9 | 0 | 0 | 0 | 0 | 0 | 0 | 111.3 | E114 P193 V221 V275 | E114-A195 VanDerWaalsContact CD-CB 3.49Å; E114-A195 HydrophobicContact CG-CB 4.36Å; E114-A195 WeakPolarHBondContact OE1-CB 3.4Å; P193-A195 PolarHBondContact O-N 3.4Å; A195-V221 HydrophobicContact CB-CG1 4.33Å; A195-V275 HydrophobicContact CB-CB 4.44Å; A195-V275 HydrophobicContact CB-CG1 3.69Å; A195-V275 HydrophobicContact CB-CG2 4.14Å; A195-V275 WeakPolarHBondContact O-CG1 2.99Å | |||
| 196 | G | 72.4 | Confident | 68.5 | Low | 27 Ų | 27 | 51.2 Ų | 51.2 | 28% | 0.278 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 147.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | R194 V222 | R194-G196 VanDerWaalsContact C-N 3.31Å; R194-G196 PolarHBondContact O-N 2.99Å; G196-V222 PolarHBondContact O-N 3.08Å |
| 197 | V | 81.4 | Confident | 68.5 | Low | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 0 | 175 | 174.5 | 0 | 0 | 0 | 0 | 109.1 | F199 C219 Q220 V221 C263 A265 V275 N277 | V197-F199 HydrophobicContact CG1-CE1 4.2Å; V197-F199 HydrophobicContact CG1-CZ 4.39Å; V197-C219 WeakPolarHBondContact CG1-SG 3.49Å; V197-Q220 WeakPolarHBondContact CA-O 2.91Å; V197-V221 HydrophobicContact CG2-CG2 4.46Å; V197-C263 HydrophobicContact CG1-CB 4.16Å; V197-A265 HydrophobicContact CG2-CB 4.23Å; V197-V275 HydrophobicContact CG2-CG2 4.17Å; V197-N277 HydrophobicContact CB-CB 3.33Å; V197-N277 HydrophobicContact CG1-CB 3.71Å; V197-N277 HydrophobicContact CG2-CB 4.43Å; V197-N277 VanDerWaalsContact O-CB 3.28Å; V197-N277 WeakPolarHBondContact O-CB 3.15Å; V197-N277 VanDerWaalsContact O-CG 3.3Å; V197-N277 PolarHBondContact O-ND2 3.03Å |
| 198 | I | 81.5 | Confident | 68 | Low | 77 Ų | 77 | 57.6 Ų | 57.6 | 40% | 0.395 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | 57.5 | 167 | 0 | 0 | 0 | 108.9 | Q220 V222 | I198-Q220 HydrophobicContact CG1-CB 4.22Å; I198-Q220 PolarHBondContact N-O 3.32Å; I198-Q220 PolarHBondContact O-N 2.86Å; I198-Q220 VanDerWaalsContact O-N 3.1Å; I198-V222 HydrophobicContact CB-CG2 4.14Å; I198-V222 HydrophobicContact CD1-CG2 3.25Å; I198-V222 HydrophobicContact CG1-CG2 3.35Å; I198-V222 HydrophobicContact CG2-CG2 3.67Å | |
| 199 | F | 82.5 | Confident | 67.3 | Low | 8 Ų | 8 | 54.1 Ų | 54.1 | 4% | 0.035 | 31% | 0.308 | C | S | . | . | 0 | 94.7 | 0 | -56.9 | -63.5 | 0 | 0 | 0 | 109.1 | V197 G201 I202 N205 Q217 W233 C263 N277 L279 | V197-F199 HydrophobicContact CG1-CE1 4.2Å; V197-F199 HydrophobicContact CG1-CZ 4.39Å; F199-G201 PolarHBondContact O-N 3.02Å; F199-I202 HydrophobicContact CB-CD1 3.16Å; F199-I202 HydrophobicContact CB-CG1 3.58Å; F199-I202 HydrophobicContact CD2-CD1 3.85Å; F199-I202 HydrophobicContact CG-CD1 3.86Å; F199-I202 WeakPolarHBondContact O-CG1 3.25Å; F199-N205 HydrophobicContact CE2-CB 4.49Å; F199-Q217 HydrophobicContact CB-CG 3.85Å; F199-Q217 HydrophobicContact CD1-CG 3.95Å; F199-Q217 HydrophobicContact CG-CG 4.18Å; F199-Q217 PolarHBondContact O-NE2 2.73Å; F199-W233 AromaticContact CD1-CH2 3.72Å; F199-W233 HydrophobicContact CD1-CH2 3.72Å; F199-W233 HydrophobicContact CD1-CZ2 4.16Å; F199-W233 AromaticContact CE1-CH2 3.05Å; F199-W233 HydrophobicContact CE1-CH2 3.05Å; F199-W233 AromaticContact CE1-CZ2 3.68Å; F199-W233 HydrophobicContact CE1-CZ2 3.68Å; F199-W233 AromaticContact CE1-CZ3 3.97Å; F199-W233 HydrophobicContact CE1-CZ3 3.97Å; F199-W233 AromaticContact CZ-CH2 3.83Å; F199-W233 HydrophobicContact CZ-CH2 3.83Å; F199-W233 HydrophobicContact CZ-CZ3 4.34Å; F199-C263 HydrophobicContact CE1-CB 4.15Å; F199-C263 HydrophobicContact CZ-CB 4.43Å; F199-N277 HydrophobicContact CE2-CB 4.48Å; F199-N277 HydrophobicContact CZ-CB 4.36Å; F199-L279 HydrophobicContact CB-CD1 4.2Å; F199-L279 HydrophobicContact CD1-CD1 4.44Å; F199-L279 HydrophobicContact CD2-CB 4.01Å; F199-L279 HydrophobicContact CD2-CD1 3.45Å; F199-L279 VanDerWaalsContact CD2-CD1 3.45Å; F199-L279 HydrophobicContact CD2-CG 4.35Å; F199-L279 HydrophobicContact CE1-CB 4.07Å; F199-L279 HydrophobicContact CE2-CB 3.47Å; F199-L279 VanDerWaalsContact CE2-CB 3.47Å; F199-L279 HydrophobicContact CE2-CD1 3.84Å; F199-L279 HydrophobicContact CE2-CG 4.3Å; F199-L279 HydrophobicContact CG-CD1 3.79Å; F199-L279 HydrophobicContact CZ-CB 3.5Å; F199-L279 VanDerWaalsContact CZ-CB 3.5Å; F199-L279 HydrophobicContact CZ-CD1 4.48Å | |||
| 200 | P | 72.8 | Confident | 66.4 | Low | 47 Ų | 47 | 59.9 Ų | 59.9 | 31% | 0.305 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 0 | -176.4 | -5.9 | 9.1 | 0 | 0 | 0 | 111.7 | Q217 E218 Q220 | P200-Q217 PolarHBondContact O-NE2 2.97Å; P200-E218 WeakPolarHBondContact CD-O 3.17Å; P200-Q220 HydrophobicContact CG-CB 4.35Å; P200-Q220 HydrophobicContact CG-CG 3.93Å; P200-Q220 VanDerWaalsContact CG-OE1 3.23Å |
| 201 | G | 69.4 | Low | 65.4 | Low | 90 Ų | 90 | 62.8 Ų | 62.8 | 93% | 0.928 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.4 | F199 | F199-G201 PolarHBondContact O-N 3.02Š| |
| 202 | I | 59.7 | Low | 64.4 | Low | 33 Ų | 33 | 66.6 Ų | 66.6 | 17% | 0.169 | 37% | 0.373 | C | S | . | . | S | Bend | 0 | 0 | 0 | 49.5 | 172.3 | 0 | 0 | 0 | 107.9 | F199 L207 L279 | F199-I202 HydrophobicContact CB-CD1 3.16Å; F199-I202 HydrophobicContact CB-CG1 3.58Å; F199-I202 HydrophobicContact CD2-CD1 3.85Å; F199-I202 HydrophobicContact CG-CD1 3.86Å; F199-I202 WeakPolarHBondContact O-CG1 3.25Å; I202-L207 HydrophobicContact CG2-CB 4.38Å; I202-L207 HydrophobicContact CG2-CD1 3.21Å; I202-L207 HydrophobicContact CG2-CG 4.42Å; I202-L279 HydrophobicContact CD1-CD1 3.03Å | |
| 203 | R | 47.4 | Very low | 63.6 | Low | 202 Ų | 202 | 66 Ų | 66 | 76% | 0.762 | 38% | 0.376 | S | S | * | . | S | Bend | 0 | 0 | 0 | -134.9 | 178.1 | -179.2 | 178.6 | -0.9 | 111.3 | |||
| 204 | G | 61.3 | Low | 63.3 | Low | 56 Ų | 56 | 67.5 Ų | 67.5 | 58% | 0.577 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | -168.6 | 0 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||
| 205 | N | 71.3 | Confident | 63.4 | Low | 61 Ų | 61 | 60.3 Ų | 60.3 | 33% | 0.326 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 0 | -177.7 | -66.3 | -16.3 | 0 | 0 | 0 | 110.5 | F199 N277 S278 L279 I280 | F199-N205 HydrophobicContact CE2-CB 4.49Å; N205-N277 PolarHBondContact ND2-ND2 3.22Å; N205-N277 PolarHBondContact ND2-OD1 3.15Å; N205-N277 PolarHBondContact OD1-ND2 3.43Å; N205-S278 VanDerWaalsContact CB-O 3.28Å; N205-S278 WeakPolarHBondContact CB-O 3.1Å; N205-L279 CarbonylContact O-C 3.46Å; N205-I280 PolarHBondContact O-N 3.01Å |
| 206 | V | 67.1 | Low | 64 | Low | 59 Ų | 59 | 65.7 Ų | 65.7 | 36% | 0.358 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 117 | 0 | 179.6 | 0 | 0 | 0 | 0 | 108.2 | E208 I280 T282 | V206-E208 HydrophobicContact CG1-CG 4.28Å; V206-I280 CarbonylContact C-O 3.49Å; V206-I280 VanDerWaalsContact CA-O 3.24Å; V206-I280 WeakPolarHBondContact CA-O 3.22Å; V206-I280 HydrophobicContact CG2-CB 4.2Å; V206-I280 HydrophobicContact CG2-CD1 4.37Å; V206-T282 HydrophobicContact CG1-CG2 4.02Å; V206-T282 WeakPolarHBondContact CG1-OG1 3.41Å | |
| 207 | L | 69.9 | Low | 64.4 | Low | 30 Ų | 30 | 65.1 Ų | 65.1 | 16% | 0.157 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 110.6 | 173.9 | -179 | 71.2 | 0 | 0 | 0 | 110.4 | I202 V209 I215 L279 I280 V281 T282 | I202-L207 HydrophobicContact CG2-CB 4.38Å; I202-L207 HydrophobicContact CG2-CD1 3.21Å; I202-L207 HydrophobicContact CG2-CG 4.42Å; L207-V209 HydrophobicContact CD2-CG2 3.8Å; L207-V209 HydrophobicContact CG-CG2 3.75Å; L207-V209 PolarHBondContact O-N 3.14Å; L207-I215 HydrophobicContact CD2-CB 4.41Å; L207-I215 HydrophobicContact CD2-CG1 4.28Å; L207-I215 HydrophobicContact CD2-CG2 3.63Å; L207-L279 HydrophobicContact CB-CD1 3.97Å; L207-L279 HydrophobicContact CB-CD2 4.41Å; L207-L279 HydrophobicContact CB-CG 4.29Å; L207-L279 HydrophobicContact CD2-CD2 4.23Å; L207-I280 PolarHBondContact N-O 3.05Å; L207-V281 WeakPolarHBondContact O-CA 3.36Å; L207-T282 PolarHBondContact O-N 2.7Å |
| 208 | E | 64.3 | Low | 64.5 | Low | 111 Ų | 111 | 68.1 Ų | 68.1 | 52% | 0.519 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 112.7 | -179.4 | -68.8 | -173.2 | 163.9 | 0 | 0 | 109.8 | V206 T282 H284 | V206-E208 HydrophobicContact CG1-CG 4.28Å; E208-T282 CarbonylContact C-O 3.43Å; E208-T282 WeakPolarHBondContact CA-O 3.49Å; E208-H284 HydrophobicContact CB-CB 3.83Å; E208-H284 HydrophobicContact CG-CB 3.98Å; E208-H284 IonicContact OE1-CD2 3.87Å; E208-H284 PolarHBondContact OE1-CD2 3.46Å; E208-H284 IonicContact OE1-CG 2.41Å; E208-H284 IonicContact OE1-NE2 3.95Å; E208-H284 PolarHBondContact OE1-NE2 2.82Å; E208-H284 IonicContact OE2-CD2 3.12Å; E208-H284 PolarHBondContact OE2-CD2 3.48Å; E208-H284 IonicContact OE2-CG 3.1Å; E208-H284 IonicContact OE2-NE2 3.52Å; E208-H284 PolarHBondContact OE2-NE2 2.83Å |
| 209 | V | 57.9 | Low | 64.6 | Low | 12 Ų | 12 | 64.5 Ų | 64.5 | 7% | 0.073 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 137 | -176.8 | -171.9 | 0 | 0 | 0 | 0 | 109.1 | L207 G213 I215 I252 V281 T282 Q283 | L207-V209 HydrophobicContact CD2-CG2 3.8Å; L207-V209 HydrophobicContact CG-CG2 3.75Å; L207-V209 PolarHBondContact O-N 3.14Å; V209-G213 WeakPolarHBondContact CG1-O 3.35Å; V209-I215 HydrophobicContact CG1-CG1 4.35Å; V209-I215 HydrophobicContact CG2-CD1 4.33Å; V209-I215 HydrophobicContact CG2-CG1 3.84Å; V209-I252 HydrophobicContact CB-CD1 3.61Å; V209-I252 HydrophobicContact CG1-CD1 3.13Å; V209-I252 HydrophobicContact CG1-CG1 4.4Å; V209-I252 HydrophobicContact CG2-CD1 3.96Å; V209-V281 HydrophobicContact CB-CG1 4.3Å; V209-V281 HydrophobicContact CG2-CG1 3.58Å; V209-T282 PolarHBondContact N-O 2.48Å; V209-Q283 WeakPolarHBondContact O-CA 2.12Å; V209-Q283 WeakPolarHBondContact O-CG 3.37Å |
| 210 | L | 53.5 | Low | 64.6 | Low | 122 Ų | 122 | 67.7 Ų | 67.7 | 64% | 0.639 | 38% | 0.382 | S | S | * | . | trans | -76.4 | 0 | 175.7 | -66.1 | 158.1 | 0 | 0 | 0 | 110.5 | T212 G213 | L210-T212 WeakPolarHBondContact O-CA 3.36Å; L210-T212 PolarHBondContact O-N 2.66Å; L210-G213 PolarHBondContact O-N 2.98Å | ||
| 211 | E | 46.3 | Very low | 65 | Low | 113 Ų | 113 | 65.9 Ų | 65.9 | 53% | 0.528 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -130.4 | 179.3 | 177.2 | 0 | 0 | 111.1 | |||
| 212 | T | 46.5 | Very low | 65 | Low | 88 Ų | 88 | 64.9 Ų | 64.9 | 54% | 0.54 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 21.9 | 0 | 54.9 | 0 | 0 | 0 | 0 | 109.3 | L210 | L210-T212 WeakPolarHBondContact O-CA 3.36Å; L210-T212 PolarHBondContact O-N 2.66Å | |
| 213 | G | 43.6 | Very low | 65.2 | Low | 24 Ų | 24 | 64.3 Ų | 64.3 | 25% | 0.247 | 34% | 0.344 | C | S | . | . | trans | -90 | 0 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | V209 L210 | V209-G213 WeakPolarHBondContact CG1-O 3.35Å; L210-G213 PolarHBondContact O-N 2.98Å | ||
| 214 | D | 53.7 | Low | 65.7 | Low | 100 Ų | 100 | 57.1 Ų | 57.1 | 54% | 0.535 | 33% | 0.328 | S | S | . | . | 0 | 138.6 | 0 | -61.5 | -25.7 | 0 | 0 | 0 | 110.5 | R249 D250 | D214-R249 WeakPolarHBondContact CA-O 3.26Å; D214-D250 WeakPolarHBondContact OD1-CA 2.79Å | |||
| 215 | I | 64.7 | Low | 65.8 | Low | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 107.1 | 173.5 | -63.5 | 173.4 | 0 | 0 | 0 | 108.5 | L207 V209 L247 Q248 R249 I252 V281 | L207-I215 HydrophobicContact CD2-CB 4.41Å; L207-I215 HydrophobicContact CD2-CG1 4.28Å; L207-I215 HydrophobicContact CD2-CG2 3.63Å; V209-I215 HydrophobicContact CG1-CG1 4.35Å; V209-I215 HydrophobicContact CG2-CD1 4.33Å; V209-I215 HydrophobicContact CG2-CG1 3.84Å; I215-L247 HydrophobicContact CG2-CD2 3.74Å; I215-L247 HydrophobicContact CG2-CG 4.21Å; I215-Q248 WeakPolarHBondContact O-CA 2.78Å; I215-R249 HydrophobicContact CB-CB 4.27Å; I215-R249 PolarHBondContact N-O 2.85Å; I215-R249 PolarHBondContact O-N 3.14Å; I215-I252 HydrophobicContact CD1-CD1 3.17Å; I215-I252 HydrophobicContact CD1-CG1 3.93Å; I215-I252 HydrophobicContact CG1-CD1 3.25Å; I215-I252 HydrophobicContact CG1-CG1 4.16Å; I215-V281 HydrophobicContact CD1-CB 4.4Å; I215-V281 HydrophobicContact CD1-CG1 3.6Å; I215-V281 HydrophobicContact CD1-CG2 4.06Å; I215-V281 HydrophobicContact CG1-CG1 4.46Å |
| 216 | L | 76.6 | Confident | 65.4 | Low | 118 Ų | 118 | 59.3 Ų | 59.3 | 62% | 0.618 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 103.8 | 168.7 | -176.6 | 72.7 | 0 | 0 | 0 | 109.3 | L247 Q248 | L216-L247 WeakPolarHBondContact CA-O 2.45Å; L216-Q248 HydrophobicContact CD1-CB 4.23Å; L216-Q248 HydrophobicContact CD1-CG 4.13Å |
| 217 | Q | 81.9 | Confident | 65.6 | Low | 14 Ų | 14 | 62.1 Ų | 62.1 | 7% | 0.065 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 142.8 | -179.3 | -173.6 | 60 | -10.9 | 0 | 0 | 109.4 | F199 P200 F246 L247 L279 | F199-Q217 HydrophobicContact CB-CG 3.85Å; F199-Q217 HydrophobicContact CD1-CG 3.95Å; F199-Q217 HydrophobicContact CG-CG 4.18Å; F199-Q217 PolarHBondContact O-NE2 2.73Å; P200-Q217 PolarHBondContact O-NE2 2.97Å; Q217-F246 WeakPolarHBondContact O-CA 2.95Å; Q217-L247 PolarHBondContact N-O 3.03Å; Q217-L247 PolarHBondContact O-N 3.33Å; Q217-L279 HydrophobicContact CB-CD2 4.11Å; Q217-L279 HydrophobicContact CG-CD2 4.03Å |
| 218 | E | 83.1 | Confident | 65.8 | Low | 66 Ų | 66 | 63.8 Ų | 63.8 | 31% | 0.308 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 0 | 179.1 | -177.9 | -178.9 | -173 | 0 | 0 | 110.2 | P200 Q220 A245 F246 | P200-E218 WeakPolarHBondContact CD-O 3.17Å; E218-Q220 HydrophobicContact CG-CG 4.06Å; E218-Q220 PolarHBondContact OE1-NE2 3.48Å; E218-Q220 PolarHBondContact OE2-NE2 3.37Å; E218-A245 CarbonylContact C-O 3.55Å; E218-F246 HydrophobicContact CB-CD1 3.68Å; E218-F246 HydrophobicContact CB-CE1 3.51Å; E218-F246 HydrophobicContact CB-CZ 4.43Å; E218-F246 VanDerWaalsContact CD-CE1 3.49Å; E218-F246 HydrophobicContact CG-CD1 3.84Å; E218-F246 HydrophobicContact CG-CE1 3.44Å; E218-F246 VanDerWaalsContact CG-CE1 3.44Å; E218-F246 HydrophobicContact CG-CZ 3.87Å |
| 219 | C | 83.8 | Confident | 66.6 | Low | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.007 | 33% | 0.331 | C | S | . | . | 0 | 0 | 0 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | V197 F231 W233 A245 C263 | V197-C219 WeakPolarHBondContact CG1-SG 3.49Å; C219-F231 HydrophobicContact CB-CD1 4.17Å; C219-W233 HydrophobicContact CB-CZ2 3.57Å; C219-A245 VanDerWaalsContact CA-O 3.3Å; C219-A245 WeakPolarHBondContact CA-O 3.41Å; C219-A245 WeakPolarHBondContact CB-O 3.31Å; C219-A245 PolarHBondContact N-O 2.64Å; C219-C263 HydrophobicContact CB-CB 4.09Å; C219-C263 WeakPolarHBondContact CB-SG 3.16Å; C219-C263 WeakPolarHBondContact SG-CB 3.1Å; C219-C263 CovalentContact SG-SG 1.88Å; C219-C263 PolarHBondContact SG-SG 1.05Å | |||
| 220 | Q | 82.1 | Confident | 68 | Low | 75 Ų | 75 | 63.2 Ų | 63.2 | 35% | 0.35 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 134.6 | 0 | -78.8 | -176.7 | -7.8 | 0 | 0 | 110 | V197 I198 P200 E218 | V197-Q220 WeakPolarHBondContact CA-O 2.91Å; I198-Q220 HydrophobicContact CG1-CB 4.22Å; I198-Q220 PolarHBondContact N-O 3.32Å; I198-Q220 PolarHBondContact O-N 2.86Å; I198-Q220 VanDerWaalsContact O-N 3.1Å; P200-Q220 HydrophobicContact CG-CB 4.35Å; P200-Q220 HydrophobicContact CG-CG 3.93Å; P200-Q220 VanDerWaalsContact CG-OE1 3.23Å; E218-Q220 HydrophobicContact CG-CG 4.06Å; E218-Q220 PolarHBondContact OE1-NE2 3.48Å; E218-Q220 PolarHBondContact OE2-NE2 3.37Å | |
| 221 | V | 80 | Confident | 69.7 | Low | 8 Ų | 8 | 59.1 Ų | 59.1 | 5% | 0.048 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 114.7 | 176 | 171.9 | 0 | 0 | 0 | 0 | 108.4 | A195 V197 S223 Y229 F231 A265 | A195-V221 HydrophobicContact CB-CG1 4.33Å; V197-V221 HydrophobicContact CG2-CG2 4.46Å; V221-S223 PolarHBondContact O-N 2.76Å; V221-Y229 HydrophobicContact CB-CD2 4.35Å; V221-Y229 HydrophobicContact CG1-CD2 3.96Å; V221-Y229 HydrophobicContact CG1-CE2 3.84Å; V221-Y229 HydrophobicContact CG1-CG 4.42Å; V221-Y229 HydrophobicContact CG2-CD1 4.43Å; V221-Y229 HydrophobicContact CG2-CD2 4.41Å; V221-Y229 HydrophobicContact CG2-CG 4.12Å; V221-F231 HydrophobicContact CB-CE1 4.42Å; V221-F231 HydrophobicContact CG2-CD1 4.44Å; V221-F231 HydrophobicContact CG2-CE1 3.37Å; V221-F231 HydrophobicContact CG2-CZ 3.81Å; V221-A265 HydrophobicContact CG2-CB 3.35Å |
| 222 | V | 69.8 | Low | 71.7 | Confident | 70 Ų | 70 | 57.2 Ų | 57.2 | 42% | 0.424 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 87.9 | 171.4 | -177 | 0 | 0 | 0 | 0 | 109.2 | G196 I198 | G196-V222 PolarHBondContact O-N 3.08Å; I198-V222 HydrophobicContact CB-CG2 4.14Å; I198-V222 HydrophobicContact CD1-CG2 3.25Å; I198-V222 HydrophobicContact CG1-CG2 3.35Å; I198-V222 HydrophobicContact CG2-CG2 3.67Å |
| 223 | S | 64.6 | Low | 73.8 | Confident | 20 Ų | 20 | 53 Ų | 53 | 14% | 0.14 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -139 | 159.3 | 178.3 | 173.3 | 0 | 0 | 0 | 0 | 109.4 | V221 K225 P226 | V221-S223 PolarHBondContact O-N 2.76Å; S223-K225 PolarHBondContact O-N 2.77Å; S223-P226 WeakPolarHBondContact O-CD 3.25Å |
| 224 | A | 58.1 | Low | 75.8 | Confident | 51 Ų | 51 | 54.1 Ų | 54.1 | 42% | 0.421 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -60.8 | 0 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | D112 I192 | D112-A224 HydrophobicContact CB-CB 4.3Å; I192-A224 HydrophobicContact CD1-CB 3.68Å |
| 225 | K | 63.3 | Low | 77 | Confident | 99 Ų | 99 | 49.5 Ų | 49.5 | 43% | 0.43 | 27% | 0.271 | S | S | . | . | 0 | 71.7 | 0 | -68.1 | -175 | 179.1 | -178.1 | 0 | 109.7 | S223 S227 Q228 | S223-K225 PolarHBondContact O-N 2.77Å; K225-S227 PolarHBondContact O-N 3.29Å; K225-Q228 PolarHBondContact O-N 2.88Å | |||
| 226 | P | 63.6 | Low | 77.3 | Confident | 64 Ų | 64 | 52.2 Ų | 52.2 | 42% | 0.416 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -61.6 | -21.2 | -174.9 | 4.8 | -5.9 | 0 | 0 | 0 | 111.7 | S223 Q228 | S223-P226 WeakPolarHBondContact O-CD 3.25Å; P226-Q228 PolarHBondContact O-N 2.05Å |
| 227 | S | 70.3 | Confident | 77.1 | Confident | 118 Ų | 118 | 51.8 Ų | 51.8 | 83% | 0.825 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -79.7 | 0 | -173 | 52.4 | 0 | 0 | 0 | 0 | 110.8 | K225 | K225-S227 PolarHBondContact O-N 3.29Š|
| 228 | Q | 73.4 | Confident | 76.7 | Confident | 65 Ų | 65 | 53.5 Ų | 53.5 | 30% | 0.304 | 31% | 0.308 | S | S | . | . | G | 310 helix | 0 | 25.8 | 0 | -78.7 | -169.2 | -11.3 | 0 | 0 | 110.7 | K225 P226 V268 | K225-Q228 PolarHBondContact O-N 2.88Å; P226-Q228 PolarHBondContact O-N 2.05Å; Q228-V268 VanDerWaalsContact O-CG2 3.29Å; Q228-V268 WeakPolarHBondContact O-CG2 3.27Å; Q228-V268 PolarHBondContact O-N 3.5Å | |
| 229 | Y | 82.3 | Confident | 76.5 | Confident | 8 Ų | 8 | 59.5 Ų | 59.5 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 137.6 | 174.8 | -79.5 | -93.2 | 0 | 0 | 0 | 109.3 | V221 F231 A265 S266 P267 V275 | V221-Y229 HydrophobicContact CB-CD2 4.35Å; V221-Y229 HydrophobicContact CG1-CD2 3.96Å; V221-Y229 HydrophobicContact CG1-CE2 3.84Å; V221-Y229 HydrophobicContact CG1-CG 4.42Å; V221-Y229 HydrophobicContact CG2-CD1 4.43Å; V221-Y229 HydrophobicContact CG2-CD2 4.41Å; V221-Y229 HydrophobicContact CG2-CG 4.12Å; Y229-F231 WeakPolarHBondContact O-CE2 3.25Å; Y229-A265 HydrophobicContact CD1-CB 3.88Å; Y229-A265 HydrophobicContact CG-CB 4.35Å; Y229-S266 WeakPolarHBondContact CA-O 3.38Å; Y229-P267 HydrophobicContact CD1-CB 4.19Å; Y229-P267 HydrophobicContact CE1-CB 3.8Å; Y229-P267 HydrophobicContact CE1-CG 4.25Å; Y229-V275 HydrophobicContact CE1-CG2 4.11Å |
| 230 | N | 85.9 | Confident | 76.4 | Confident | 104 Ų | 104 | 63 Ų | 63 | 56% | 0.556 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 0 | 167 | -70.8 | -21.7 | 0 | 0 | 0 | 111.3 | A265 S266 | N230-A265 CarbonylContact O-C 3.48Å; N230-A265 VanDerWaalsContact O-CA 3.23Å; N230-A265 WeakPolarHBondContact O-CA 2.94Å; N230-S266 PolarHBondContact N-O 2.88Å; N230-S266 PolarHBondContact O-N 3.49Å |
| 231 | F | 89.7 | Confident | 76.3 | Confident | 36 Ų | 36 | 62.7 Ų | 62.7 | 16% | 0.158 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 139.5 | 0 | -62.6 | -89.9 | 0 | 0 | 0 | 109.4 | C219 V221 Y229 N243 A245 V264 A265 | C219-F231 HydrophobicContact CB-CD1 4.17Å; V221-F231 HydrophobicContact CB-CE1 4.42Å; V221-F231 HydrophobicContact CG2-CD1 4.44Å; V221-F231 HydrophobicContact CG2-CE1 3.37Å; V221-F231 HydrophobicContact CG2-CZ 3.81Å; Y229-F231 WeakPolarHBondContact O-CE2 3.25Å; F231-N243 CarbonylContact O-C 3.49Å; F231-N243 WeakPolarHBondContact O-CA 3.34Å; F231-N243 VanDerWaalsContact O-O 3.09Å; F231-A245 HydrophobicContact CB-CB 4.42Å; F231-A245 HydrophobicContact CD1-CB 4.49Å; F231-A245 HydrophobicContact CD2-CB 3.87Å; F231-A245 HydrophobicContact CE2-CB 4.21Å; F231-A245 HydrophobicContact CG-CB 4.02Å; F231-V264 CarbonylContact C-O 3.55Å; F231-V264 WeakPolarHBondContact CA-O 3.5Å; F231-A265 HydrophobicContact CD1-CB 3.95Å; F231-A265 HydrophobicContact CE1-CB 3.94Å | |
| 232 | Q | 89.6 | Confident | 76.5 | Confident | 73 Ų | 73 | 63.5 Ų | 63.5 | 34% | 0.341 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 0 | 172.9 | -69.7 | 176.9 | -29 | 0 | 0 | 109.5 | F234 L240 S242 C263 V264 | Q232-F234 HydrophobicContact CB-CE2 3.91Å; Q232-F234 HydrophobicContact CB-CZ 4.28Å; Q232-L240 HydrophobicContact CB-CD1 3.44Å; Q232-L240 VanDerWaalsContact CB-CD1 3.44Å; Q232-L240 HydrophobicContact CG-CD1 3.96Å; Q232-S242 CarbonylContact C-O 3.5Å; Q232-S242 WeakPolarHBondContact CA-O 2.98Å; Q232-C263 CarbonylContact O-C 3.42Å; Q232-C263 WeakPolarHBondContact O-CA 3.03Å; Q232-V264 PolarHBondContact N-O 3.19Å; Q232-V264 PolarHBondContact O-N 3.27Å |
| 233 | W | 89.3 | Confident | 77 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 132.1 | 0 | -81.3 | 94.4 | 0 | 0 | 0 | 110.8 | F199 C219 L240 I241 S242 S244 A245 L247 R262 C263 L279 | F199-W233 AromaticContact CD1-CH2 3.72Å; F199-W233 HydrophobicContact CD1-CH2 3.72Å; F199-W233 HydrophobicContact CD1-CZ2 4.16Å; F199-W233 AromaticContact CE1-CH2 3.05Å; F199-W233 HydrophobicContact CE1-CH2 3.05Å; F199-W233 AromaticContact CE1-CZ2 3.68Å; F199-W233 HydrophobicContact CE1-CZ2 3.68Å; F199-W233 AromaticContact CE1-CZ3 3.97Å; F199-W233 HydrophobicContact CE1-CZ3 3.97Å; F199-W233 AromaticContact CZ-CH2 3.83Å; F199-W233 HydrophobicContact CZ-CH2 3.83Å; F199-W233 HydrophobicContact CZ-CZ3 4.34Å; C219-W233 HydrophobicContact CB-CZ2 3.57Å; W233-L240 CarbonylContact O-C 3.49Å; W233-L240 WeakPolarHBondContact O-CA 3.48Å; W233-L240 WeakPolarHBondContact O-CD1 3.27Å; W233-I241 HydrophobicContact CB-CD1 3.84Å; W233-I241 HydrophobicContact CB-CG1 3.56Å; W233-I241 WeakPolarHBondContact O-CG1 3.33Å; W233-I241 PolarHBondContact O-N 3.07Å; W233-S242 PolarHBondContact N-O 2.5Å; W233-S242 PolarHBondContact O-N 3.18Å; W233-S244 VanDerWaalsContact CD1-O 3.32Å; W233-A245 PolarHBondContact NE1-O 3.42Å; W233-L247 HydrophobicContact CB-CD1 4.28Å; W233-L247 HydrophobicContact CD2-CB 3.73Å; W233-L247 HydrophobicContact CD2-CD1 4.18Å; W233-L247 HydrophobicContact CD2-CD2 4.44Å; W233-L247 HydrophobicContact CD2-CG 4.35Å; W233-L247 HydrophobicContact CE3-CB 4.1Å; W233-L247 HydrophobicContact CE3-CD1 4.19Å; W233-L247 HydrophobicContact CE3-CD2 3.93Å; W233-L247 HydrophobicContact CE3-CG 4.31Å; W233-L247 HydrophobicContact CG-CB 4.16Å; W233-L247 HydrophobicContact CG-CD1 4.25Å; W233-L247 HydrophobicContact CH2-CB 4.23Å; W233-L247 HydrophobicContact CH2-CD2 4.27Å; W233-L247 HydrophobicContact CZ2-CB 3.91Å; W233-L247 HydrophobicContact CZ3-CB 4.32Å; W233-L247 HydrophobicContact CZ3-CD2 3.83Å; W233-R262 CarbonylContact C-O 3.26Å; W233-R262 WeakPolarHBondContact CA-O 3.26Å; W233-C263 HydrophobicContact CD2-CB 3.98Å; W233-C263 HydrophobicContact CE3-CB 4Å; W233-C263 HydrophobicContact CH2-CB 3.85Å; W233-C263 HydrophobicContact CZ2-CB 3.85Å; W233-C263 HydrophobicContact CZ3-CB 3.92Å; W233-L279 HydrophobicContact CH2-CB 4.27Å; W233-L279 HydrophobicContact CH2-CD2 4.26Å; W233-L279 HydrophobicContact CZ3-CB 4.09Å; W233-L279 HydrophobicContact CZ3-CD2 4.37Å | |
| 234 | F | 86.4 | Confident | 77.9 | Confident | 46 Ų | 46 | 67.2 Ų | 67.2 | 20% | 0.202 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 134.1 | 177.6 | -65.4 | -90.5 | 0 | 0 | 0 | 109 | Q232 R239 L240 Y261 R262 V264 | Q232-F234 HydrophobicContact CB-CE2 3.91Å; Q232-F234 HydrophobicContact CB-CZ 4.28Å; F234-R239 CarbonylContact C-O 3.29Å; F234-R239 WeakPolarHBondContact CA-O 3.39Å; F234-L240 HydrophobicContact CD1-CB 4.02Å; F234-L240 HydrophobicContact CD1-CD1 4.12Å; F234-L240 HydrophobicContact CD2-CD1 4.42Å; F234-L240 HydrophobicContact CE1-CB 3.87Å; F234-L240 HydrophobicContact CE1-CD1 3.72Å; F234-L240 HydrophobicContact CE1-CG 4.44Å; F234-L240 HydrophobicContact CE2-CD1 4.05Å; F234-L240 HydrophobicContact CG-CD1 4.45Å; F234-L240 HydrophobicContact CZ-CD1 3.69Å; F234-Y261 CarbonylContact O-C 3.03Å; F234-Y261 VanDerWaalsContact O-CA 3.26Å; F234-Y261 WeakPolarHBondContact O-CA 2.96Å; F234-R262 HydrophobicContact CB-CB 4.06Å; F234-R262 PolarHBondContact N-O 1.78Å; F234-R262 PolarHBondContact O-N 3.34Å; F234-V264 HydrophobicContact CD2-CG2 3.75Å; F234-V264 HydrophobicContact CE2-CB 3.96Å; F234-V264 HydrophobicContact CE2-CG2 3.47Å; F234-V264 VanDerWaalsContact CE2-CG2 3.47Å |
| 235 | G | 79 | Confident | 79.1 | Confident | 4 Ų | 4 | 65.8 Ų | 65.8 | 4% | 0.041 | 36% | 0.36 | C | S | . | . | trans | -73.3 | 0 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | D237 G238 R239 | G235-D237 VanDerWaalsContact C-N 3.27Å; G235-D237 PolarHBondContact O-N 3.07Å; G235-G238 PolarHBondContact O-N 3.19Å; G235-R239 PolarHBondContact N-O 3.4Å | ||
| 236 | P | 71.5 | Confident | 80.1 | Confident | 56 Ų | 56 | 65.9 Ų | 65.9 | 36% | 0.364 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | -16.7 | 0 | -9.1 | 12.3 | 0 | 0 | 0 | 112.1 | G238 Y261 | P236-G238 VanDerWaalsContact C-N 3.35Å; P236-Y261 HydrophobicContact CG-CE2 4.41Å | |
| 237 | D | 72.5 | Confident | 81.1 | Confident | 110 Ų | 110 | 63 Ų | 63 | 59% | 0.588 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 0 | 179.3 | 47.4 | -12 | 0 | 0 | 0 | 110.5 | G235 R239 | G235-D237 VanDerWaalsContact C-N 3.27Å; G235-D237 PolarHBondContact O-N 3.07Å; D237-R239 WeakPolarHBondContact OD2-CD 2.68Å |
| 238 | G | 73.6 | Confident | 81.5 | Confident | 50 Ų | 50 | 63.9 Ų | 63.9 | 52% | 0.515 | 33% | 0.333 | S | S | . | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.1 | G235 P236 | G235-G238 PolarHBondContact O-N 3.19Å; P236-G238 VanDerWaalsContact C-N 3.35Å | |
| 239 | R | 77.9 | Confident | 81.3 | Confident | 191 Ų | 191 | 64.6 Ų | 64.6 | 72% | 0.721 | 33% | 0.333 | S | S | * | . | 0 | 146.1 | 0 | -74.6 | -177.8 | 175 | 176.5 | -0.3 | 110 | F234 G235 D237 | F234-R239 CarbonylContact C-O 3.29Å; F234-R239 WeakPolarHBondContact CA-O 3.39Å; G235-R239 PolarHBondContact N-O 3.4Å; D237-R239 WeakPolarHBondContact OD2-CD 2.68Å | |||
| 240 | L | 82 | Confident | 80.2 | Confident | 76 Ų | 76 | 68.5 Ų | 68.5 | 40% | 0.398 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 123.5 | -178.7 | -179.6 | 76 | 0 | 0 | 0 | 110.3 | Q232 W233 F234 N243 | Q232-L240 HydrophobicContact CB-CD1 3.44Å; Q232-L240 VanDerWaalsContact CB-CD1 3.44Å; Q232-L240 HydrophobicContact CG-CD1 3.96Å; W233-L240 CarbonylContact O-C 3.49Å; W233-L240 WeakPolarHBondContact O-CA 3.48Å; W233-L240 WeakPolarHBondContact O-CD1 3.27Å; F234-L240 HydrophobicContact CD1-CB 4.02Å; F234-L240 HydrophobicContact CD1-CD1 4.12Å; F234-L240 HydrophobicContact CD2-CD1 4.42Å; F234-L240 HydrophobicContact CE1-CB 3.87Å; F234-L240 HydrophobicContact CE1-CD1 3.72Å; F234-L240 HydrophobicContact CE1-CG 4.44Å; F234-L240 HydrophobicContact CE2-CD1 4.05Å; F234-L240 HydrophobicContact CG-CD1 4.45Å; F234-L240 HydrophobicContact CZ-CD1 3.69Å; L240-N243 WeakPolarHBondContact CD2-OD1 3.43Å |
| 241 | I | 78.8 | Confident | 78.6 | Confident | 68 Ų | 68 | 70.9 Ų | 70.9 | 35% | 0.349 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | -22 | -169.7 | 43.1 | 165.3 | 0 | 0 | 0 | 108 | W233 L247 Y261 | W233-I241 HydrophobicContact CB-CD1 3.84Å; W233-I241 HydrophobicContact CB-CG1 3.56Å; W233-I241 WeakPolarHBondContact O-CG1 3.33Å; W233-I241 PolarHBondContact O-N 3.07Å; I241-L247 HydrophobicContact CD1-CD1 3.08Å; I241-L247 HydrophobicContact CG1-CD1 4.18Å; I241-Y261 HydrophobicContact CD1-CD1 3.2Å; I241-Y261 HydrophobicContact CD1-CE1 3.51Å; I241-Y261 HydrophobicContact CD1-CG 4.46Å |
| 242 | S | 84.5 | Confident | 76.7 | Confident | 25 Ų | 25 | 69.4 Ų | 69.4 | 18% | 0.175 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 0 | -178.9 | 174.1 | 0 | 0 | 0 | 0 | 109.1 | Q232 W233 S244 F246 | Q232-S242 CarbonylContact C-O 3.5Å; Q232-S242 WeakPolarHBondContact CA-O 2.98Å; W233-S242 PolarHBondContact N-O 2.5Å; W233-S242 PolarHBondContact O-N 3.18Å; S242-S244 PolarHBondContact OG-N 2.45Å; S242-S244 PolarHBondContact OG-OG 3.37Å; S242-F246 PolarHBondContact OG-O 2.47Å |
| 243 | N | 81.4 | Confident | 74.6 | Confident | 113 Ų | 113 | 70.2 Ų | 70.2 | 60% | 0.604 | 36% | 0.36 | S | S | * | . | S | Bend | 0 | 22 | 0 | -74.1 | -32.5 | 0 | 0 | 0 | 110.3 | F231 L240 | F231-N243 CarbonylContact O-C 3.49Å; F231-N243 WeakPolarHBondContact O-CA 3.34Å; F231-N243 VanDerWaalsContact O-O 3.09Å; L240-N243 WeakPolarHBondContact CD2-OD1 3.43Å | |
| 244 | S | 83 | Confident | 72.6 | Confident | 54 Ų | 54 | 76.8 Ų | 76.8 | 38% | 0.378 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -120 | 169.8 | 178.1 | 76.4 | 0 | 0 | 0 | 0 | 109.8 | W233 S242 F246 | W233-S244 VanDerWaalsContact CD1-O 3.32Å; S242-S244 PolarHBondContact OG-N 2.45Å; S242-S244 PolarHBondContact OG-OG 3.37Å; S244-F246 PolarHBondContact O-N 2.68Å; S244-F246 PolarHBondContact OG-N 3.45Å; S244-F246 PolarHBondContact OG-O 3Å |
| 245 | A | 82.4 | Confident | 70.9 | Confident | 21 Ų | 21 | 82.2 Ų | 82.2 | 17% | 0.174 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -67.2 | 0 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | E218 C219 F231 W233 | E218-A245 CarbonylContact C-O 3.55Å; C219-A245 VanDerWaalsContact CA-O 3.3Å; C219-A245 WeakPolarHBondContact CA-O 3.41Å; C219-A245 WeakPolarHBondContact CB-O 3.31Å; C219-A245 PolarHBondContact N-O 2.64Å; F231-A245 HydrophobicContact CB-CB 4.42Å; F231-A245 HydrophobicContact CD1-CB 4.49Å; F231-A245 HydrophobicContact CD2-CB 3.87Å; F231-A245 HydrophobicContact CE2-CB 4.21Å; F231-A245 HydrophobicContact CG-CB 4.02Å; W233-A245 PolarHBondContact NE1-O 3.42Å |
| 246 | F | 86.3 | Confident | 69.8 | Low | 101 Ų | 101 | 89.3 Ų | 89.3 | 44% | 0.443 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -69.5 | -82.4 | 0 | 0 | 0 | 110.5 | Q217 E218 S242 S244 | Q217-F246 WeakPolarHBondContact O-CA 2.95Å; E218-F246 HydrophobicContact CB-CD1 3.68Å; E218-F246 HydrophobicContact CB-CE1 3.51Å; E218-F246 HydrophobicContact CB-CZ 4.43Å; E218-F246 VanDerWaalsContact CD-CE1 3.49Å; E218-F246 HydrophobicContact CG-CD1 3.84Å; E218-F246 HydrophobicContact CG-CE1 3.44Å; E218-F246 VanDerWaalsContact CG-CE1 3.44Å; E218-F246 HydrophobicContact CG-CZ 3.87Å; S242-F246 PolarHBondContact OG-O 2.47Å; S244-F246 PolarHBondContact O-N 2.68Å; S244-F246 PolarHBondContact OG-N 3.45Å; S244-F246 PolarHBondContact OG-O 3Å | |
| 247 | L | 82.6 | Confident | 69.1 | Low | 3 Ų | 3 | 87.4 Ų | 87.4 | 2% | 0.016 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | 174.5 | 70.6 | 0 | 0 | 0 | 109.7 | I215 L216 Q217 W233 I241 Y261 L279 | I215-L247 HydrophobicContact CG2-CD2 3.74Å; I215-L247 HydrophobicContact CG2-CG 4.21Å; L216-L247 WeakPolarHBondContact CA-O 2.45Å; Q217-L247 PolarHBondContact N-O 3.03Å; Q217-L247 PolarHBondContact O-N 3.33Å; W233-L247 HydrophobicContact CB-CD1 4.28Å; W233-L247 HydrophobicContact CD2-CB 3.73Å; W233-L247 HydrophobicContact CD2-CD1 4.18Å; W233-L247 HydrophobicContact CD2-CD2 4.44Å; W233-L247 HydrophobicContact CD2-CG 4.35Å; W233-L247 HydrophobicContact CE3-CB 4.1Å; W233-L247 HydrophobicContact CE3-CD1 4.19Å; W233-L247 HydrophobicContact CE3-CD2 3.93Å; W233-L247 HydrophobicContact CE3-CG 4.31Å; W233-L247 HydrophobicContact CG-CB 4.16Å; W233-L247 HydrophobicContact CG-CD1 4.25Å; W233-L247 HydrophobicContact CH2-CB 4.23Å; W233-L247 HydrophobicContact CH2-CD2 4.27Å; W233-L247 HydrophobicContact CZ2-CB 3.91Å; W233-L247 HydrophobicContact CZ3-CB 4.32Å; W233-L247 HydrophobicContact CZ3-CD2 3.83Å; I241-L247 HydrophobicContact CD1-CD1 3.08Å; I241-L247 HydrophobicContact CG1-CD1 4.18Å; L247-Y261 HydrophobicContact CD1-CD1 4.1Å; L247-Y261 HydrophobicContact CD1-CE1 4.41Å; L247-Y261 HydrophobicContact CD2-CD1 4Å; L247-Y261 HydrophobicContact CD2-CG 4.14Å; L247-L279 HydrophobicContact CD2-CD2 4.06Å | |
| 248 | Q | 78.8 | Confident | 68.6 | Low | 138 Ų | 138 | 84.7 Ų | 84.7 | 65% | 0.645 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -173 | 175.7 | -2.2 | 0 | 0 | 109.9 | I215 L216 | I215-Q248 WeakPolarHBondContact O-CA 2.78Å; L216-Q248 HydrophobicContact CD1-CB 4.23Å; L216-Q248 HydrophobicContact CD1-CG 4.13Å | |
| 249 | R | 69.1 | Low | 68.6 | Low | 80 Ų | 80 | 83.2 Ų | 83.2 | 30% | 0.302 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 125.5 | 0 | -85.5 | -161.9 | 80.3 | 136.8 | -1.9 | 109.5 | D214 I215 D257 Y261 | D214-R249 WeakPolarHBondContact CA-O 3.26Å; I215-R249 HydrophobicContact CB-CB 4.27Å; I215-R249 PolarHBondContact N-O 2.85Å; I215-R249 PolarHBondContact O-N 3.14Å; R249-D257 IonicContact CZ-OD1 3.97Å; R249-D257 IonicContact CZ-OD2 3.91Å; R249-D257 IonicContact NH1-OD1 2.98Å; R249-D257 PolarHBondContact NH1-OD1 2.08Å; R249-D257 IonicContact NH2-OD1 3.22Å; R249-D257 PolarHBondContact NH2-OD1 2.75Å; R249-D257 IonicContact NH2-OD2 3.43Å; R249-D257 PolarHBondContact NH2-OD2 2.92Å; R249-Y261 WeakPolarHBondContact CD-OH 3.35Å; R249-Y261 PolarHBondContact NH1-OH 3.25Å | |
| 250 | D | 60.8 | Low | 68.6 | Low | 90 Ų | 90 | 78.6 Ų | 78.6 | 48% | 0.481 | 38% | 0.381 | S | S | . | . | trans | -99.9 | 0 | 177.5 | -67.2 | -25.9 | 0 | 0 | 0 | 110.2 | D214 | D214-D250 WeakPolarHBondContact OD1-CA 2.79Š| ||
| 251 | Y | 51.5 | Low | 68.9 | Low | 154 Ų | 154 | 75 Ų | 75 | 60% | 0.604 | 36% | 0.362 | S | S | * | . | 0 | 0 | 0 | -74.6 | -83 | 0 | 0 | 0 | 110.4 | T253 | Y251-T253 PolarHBondContact O-N 2.63Å; Y251-T253 PolarHBondContact O-OG1 3.24Å | |||
| 252 | I | 50.8 | Low | 69.4 | Low | 5 Ų | 5 | 77.1 Ų | 77.1 | 3% | 0.026 | 37% | 0.365 | C | S | . | . | 0 | 85.5 | 0 | -65 | 171.3 | 0 | 0 | 0 | 109.3 | V209 I215 D257 V281 | V209-I252 HydrophobicContact CB-CD1 3.61Å; V209-I252 HydrophobicContact CG1-CD1 3.13Å; V209-I252 HydrophobicContact CG1-CG1 4.4Å; V209-I252 HydrophobicContact CG2-CD1 3.96Å; I215-I252 HydrophobicContact CD1-CD1 3.17Å; I215-I252 HydrophobicContact CD1-CG1 3.93Å; I215-I252 HydrophobicContact CG1-CD1 3.25Å; I215-I252 HydrophobicContact CG1-CG1 4.16Å; I252-D257 HydrophobicContact CG2-CB 4Å; I252-V281 HydrophobicContact CD1-CG1 4.4Å | |||
| 253 | T | 44.2 | Very low | 69.6 | Low | 89 Ų | 89 | 75.9 Ų | 75.9 | 55% | 0.546 | 36% | 0.357 | S | S | . | . | trans | -110 | 0 | -168.1 | 40.9 | 0 | 0 | 0 | 0 | 109.3 | Y251 | Y251-T253 PolarHBondContact O-N 2.63Å; Y251-T253 PolarHBondContact O-OG1 3.24Å | ||
| 254 | R | 46.8 | Very low | 70 | Confident | 139 Ų | 139 | 70.7 Ų | 70.7 | 53% | 0.525 | 33% | 0.329 | S | S | . | . | S | Bend | 0 | 135.5 | 0 | -81.4 | -173.7 | -174.1 | -173.3 | 0.2 | 109.3 | R256 D257 | R254-R256 HydrophobicContact CB-CG 3.21Å; R254-R256 HydrophobicContact CG-CG 4.29Å; R254-R256 VanDerWaalsContact NE-CZ 3.34Å; R254-R256 PolarHBondContact O-N 2.84Å; R254-D257 PolarHBondContact O-N 2.16Å | |
| 255 | Q | 50.5 | Low | 70.1 | Confident | 160 Ų | 160 | 68.1 Ų | 68.1 | 75% | 0.748 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.7 | 0 | 172.1 | -137.2 | 167.4 | -2.5 | 0 | 0 | 111.6 | E258 | Q255-E258 PolarHBondContact O-N 3.23Š|
| 256 | R | 56.9 | Low | 70.1 | Confident | 153 Ų | 153 | 68.8 Ų | 68.8 | 58% | 0.577 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 28.2 | -179.6 | -165.7 | -157.9 | -3.1 | 109.5 | R254 E258 | R254-R256 HydrophobicContact CB-CG 3.21Å; R254-R256 HydrophobicContact CG-CG 4.29Å; R254-R256 VanDerWaalsContact NE-CZ 3.34Å; R254-R256 PolarHBondContact O-N 2.84Å; R256-E258 VanDerWaalsContact C-N 3.34Å | |
| 257 | D | 57.6 | Low | 69.6 | Low | 15 Ų | 15 | 65.2 Ų | 65.2 | 8% | 0.08 | 30% | 0.302 | C | S | . | . | S | Bend | 0 | 0 | 0 | -69.4 | -28.1 | 0 | 0 | 0 | 110.3 | R249 I252 R254 Y261 | R249-D257 IonicContact CZ-OD1 3.97Å; R249-D257 IonicContact CZ-OD2 3.91Å; R249-D257 IonicContact NH1-OD1 2.98Å; R249-D257 PolarHBondContact NH1-OD1 2.08Å; R249-D257 IonicContact NH2-OD1 3.22Å; R249-D257 PolarHBondContact NH2-OD1 2.75Å; R249-D257 IonicContact NH2-OD2 3.43Å; R249-D257 PolarHBondContact NH2-OD2 2.92Å; I252-D257 HydrophobicContact CG2-CB 4Å; R254-D257 PolarHBondContact O-N 2.16Å; D257-Y261 WeakPolarHBondContact O-CE2 3.39Å; D257-Y261 PolarHBondContact O-OH 2.6Å | |
| 258 | E | 61.4 | Low | 69.3 | Low | 54 Ų | 54 | 69.5 Ų | 69.5 | 25% | 0.252 | 33% | 0.328 | S | S | . | . | 0 | 127.1 | 0 | -84.1 | -177.9 | 178.4 | 0 | 0 | 111.2 | Q255 R256 Q283 | Q255-E258 PolarHBondContact O-N 3.23Å; R256-E258 VanDerWaalsContact C-N 3.34Å; E258-Q283 HydrophobicContact CG-CB 4.04Å; E258-Q283 VanDerWaalsContact OE1-CA 3.24Å; E258-Q283 WeakPolarHBondContact OE1-CA 2.55Å; E258-Q283 WeakPolarHBondContact OE1-CB 3.17Å; E258-Q283 WeakPolarHBondContact OE1-CG 3.4Å; E258-Q283 PolarHBondContact OE1-N 3.32Å; E258-Q283 VanDerWaalsContact OE1-N 3.15Å; E258-Q283 PolarHBondContact OE1-OE1 2.58Å | |||
| 259 | G | 73 | Confident | 68.5 | Low | 19 Ų | 19 | 67.9 Ų | 67.9 | 20% | 0.196 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.3 | -179 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y261 V281 | G259-Y261 PolarHBondContact O-N 3.23Å; G259-V281 PolarHBondContact N-O 2.45Å; G259-V281 PolarHBondContact O-N 3.09Å |
| 260 | I | 79 | Confident | 67.8 | Low | 93 Ų | 93 | 74 Ų | 74 | 48% | 0.477 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 104.7 | -172 | -62.5 | 174.9 | 0 | 0 | 0 | 108.8 | S278 I280 | I260-S278 WeakPolarHBondContact CG2-OG 3.26Å; I260-I280 HydrophobicContact CG1-CG1 4.28Å |
| 261 | Y | 86.9 | Confident | 67.4 | Low | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 125.6 | 169 | -70.2 | -100.8 | 0 | 0 | 0 | 110.3 | F234 P236 I241 L247 R249 D257 G259 S278 L279 V281 | F234-Y261 CarbonylContact O-C 3.03Å; F234-Y261 VanDerWaalsContact O-CA 3.26Å; F234-Y261 WeakPolarHBondContact O-CA 2.96Å; P236-Y261 HydrophobicContact CG-CE2 4.41Å; I241-Y261 HydrophobicContact CD1-CD1 3.2Å; I241-Y261 HydrophobicContact CD1-CE1 3.51Å; I241-Y261 HydrophobicContact CD1-CG 4.46Å; L247-Y261 HydrophobicContact CD1-CD1 4.1Å; L247-Y261 HydrophobicContact CD1-CE1 4.41Å; L247-Y261 HydrophobicContact CD2-CD1 4Å; L247-Y261 HydrophobicContact CD2-CG 4.14Å; R249-Y261 WeakPolarHBondContact CD-OH 3.35Å; R249-Y261 PolarHBondContact NH1-OH 3.25Å; D257-Y261 WeakPolarHBondContact O-CE2 3.39Å; D257-Y261 PolarHBondContact O-OH 2.6Å; G259-Y261 PolarHBondContact O-N 3.23Å; Y261-S278 CarbonylContact O-C 3.55Å; Y261-S278 VanDerWaalsContact O-CA 3.23Å; Y261-S278 WeakPolarHBondContact O-CA 3.2Å; Y261-L279 PolarHBondContact N-O 2.68Å; Y261-L279 PolarHBondContact O-N 2.64Å; Y261-V281 HydrophobicContact CD2-CB 4.12Å; Y261-V281 HydrophobicContact CD2-CG2 3.47Å; Y261-V281 VanDerWaalsContact CD2-CG2 3.47Å; Y261-V281 HydrophobicContact CE2-CB 4.02Å; Y261-V281 HydrophobicContact CE2-CG2 3.71Å; Y261-V281 HydrophobicContact CG-CG2 4.45Å |
| 262 | R | 89.1 | Confident | 68 | Low | 113 Ų | 113 | 70.1 Ų | 70.1 | 43% | 0.426 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 120.7 | -173 | -179.1 | -171.2 | -73.5 | 156.8 | 0.8 | 109.1 | W233 F234 V264 E276 | W233-R262 CarbonylContact C-O 3.26Å; W233-R262 WeakPolarHBondContact CA-O 3.26Å; F234-R262 HydrophobicContact CB-CB 4.06Å; F234-R262 PolarHBondContact N-O 1.78Å; F234-R262 PolarHBondContact O-N 3.34Å; R262-V264 HydrophobicContact CG-CG2 4.1Å; R262-E276 WeakPolarHBondContact CD-OE2 3.17Å |
| 263 | C | 89.3 | Confident | 68.5 | Low | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 121.2 | 174.2 | 176 | 0 | 0 | 0 | 0 | 109.9 | V197 F199 C219 Q232 W233 E276 N277 | V197-C263 HydrophobicContact CG1-CB 4.16Å; F199-C263 HydrophobicContact CE1-CB 4.15Å; F199-C263 HydrophobicContact CZ-CB 4.43Å; C219-C263 HydrophobicContact CB-CB 4.09Å; C219-C263 WeakPolarHBondContact CB-SG 3.16Å; C219-C263 WeakPolarHBondContact SG-CB 3.1Å; C219-C263 CovalentContact SG-SG 1.88Å; C219-C263 PolarHBondContact SG-SG 1.05Å; Q232-C263 CarbonylContact O-C 3.42Å; Q232-C263 WeakPolarHBondContact O-CA 3.03Å; W233-C263 HydrophobicContact CD2-CB 3.98Å; W233-C263 HydrophobicContact CE3-CB 4Å; W233-C263 HydrophobicContact CH2-CB 3.85Å; W233-C263 HydrophobicContact CZ2-CB 3.85Å; W233-C263 HydrophobicContact CZ3-CB 3.92Å; C263-E276 WeakPolarHBondContact O-CA 3.42Å; C263-E276 WeakPolarHBondContact O-CB 2.39Å; C263-N277 PolarHBondContact N-O 3.48Å; C263-N277 PolarHBondContact O-N 3.5Å |
| 264 | V | 88.9 | Confident | 70.1 | Confident | 3 Ų | 3 | 75.2 Ų | 75.2 | 2% | 0.018 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 122.3 | -179.4 | 177.9 | 0 | 0 | 0 | 0 | 108 | F231 Q232 F234 R262 Q274 E276 | F231-V264 CarbonylContact C-O 3.55Å; F231-V264 WeakPolarHBondContact CA-O 3.5Å; Q232-V264 PolarHBondContact N-O 3.19Å; Q232-V264 PolarHBondContact O-N 3.27Å; F234-V264 HydrophobicContact CD2-CG2 3.75Å; F234-V264 HydrophobicContact CE2-CB 3.96Å; F234-V264 HydrophobicContact CE2-CG2 3.47Å; F234-V264 VanDerWaalsContact CE2-CG2 3.47Å; R262-V264 HydrophobicContact CG-CG2 4.1Å; V264-Q274 HydrophobicContact CG1-CG 3.56Å; V264-E276 HydrophobicContact CG2-CB 4.04Å |
| 265 | A | 86.2 | Confident | 71.6 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 116.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | V197 V221 Y229 N230 F231 V275 | V197-A265 HydrophobicContact CG2-CB 4.23Å; V221-A265 HydrophobicContact CG2-CB 3.35Å; Y229-A265 HydrophobicContact CD1-CB 3.88Å; Y229-A265 HydrophobicContact CG-CB 4.35Å; N230-A265 CarbonylContact O-C 3.48Å; N230-A265 VanDerWaalsContact O-CA 3.23Å; N230-A265 WeakPolarHBondContact O-CA 2.94Å; F231-A265 HydrophobicContact CD1-CB 3.95Å; F231-A265 HydrophobicContact CE1-CB 3.94Å; A265-V275 HydrophobicContact CB-CG2 4.01Å; A265-V275 PolarHBondContact N-O 3.37Å; A265-V275 PolarHBondContact O-N 2.48Å; A265-V275 VanDerWaalsContact O-N 3.1Å |
| 266 | S | 82 | Confident | 73.2 | Confident | 35 Ų | 35 | 66.4 Ų | 66.4 | 25% | 0.245 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 127.7 | -177.8 | -60 | 0 | 0 | 0 | 0 | 109.9 | Y229 N230 V268 | Y229-S266 WeakPolarHBondContact CA-O 3.38Å; N230-S266 PolarHBondContact N-O 2.88Å; N230-S266 PolarHBondContact O-N 3.49Å; S266-V268 PolarHBondContact O-N 3.09Å |
| 267 | P | 76.2 | Confident | 74.4 | Confident | 26 Ų | 26 | 60.9 Ų | 60.9 | 17% | 0.169 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 133.3 | -177.6 | 21.5 | -25.8 | 0 | 0 | 0 | 111.8 | Y229 E269 R272 | Y229-P267 HydrophobicContact CD1-CB 4.19Å; Y229-P267 HydrophobicContact CE1-CB 3.8Å; Y229-P267 HydrophobicContact CE1-CG 4.25Å; P267-E269 PolarHBondContact O-N 3.48Å; P267-R272 HydrophobicContact CB-CB 3.47Å; P267-R272 VanDerWaalsContact CB-CB 3.47Å; P267-R272 VanDerWaalsContact CG-C 3.45Å; P267-R272 HydrophobicContact CG-CB 3.58Å; P267-R272 WeakPolarHBondContact CG-O 3.47Å |
| 268 | V | 75.8 | Confident | 75.6 | Confident | 94 Ų | 94 | 61.9 Ų | 61.9 | 57% | 0.57 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -66.8 | 0 | -179.3 | 179.4 | 0 | 0 | 0 | 0 | 108.9 | Q228 S266 | Q228-V268 VanDerWaalsContact O-CG2 3.29Å; Q228-V268 WeakPolarHBondContact O-CG2 3.27Å; Q228-V268 PolarHBondContact O-N 3.5Å; S266-V268 PolarHBondContact O-N 3.09Å |
| 269 | E | 62.6 | Low | 76.7 | Confident | 104 Ų | 104 | 59.3 Ų | 59.3 | 49% | 0.486 | 32% | 0.319 | S | S | . | . | S | Bend | 0 | 139.3 | 0 | -107 | 179.3 | -178 | 0 | 0 | 110.9 | P267 | P267-E269 PolarHBondContact O-N 3.48Š| |
| 270 | E | 53.7 | Low | 76.7 | Confident | 209 Ų | 209 | 61.5 Ų | 61.5 | 98% | 0.977 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | 0 | 176.7 | -104.6 | -176.8 | 178.8 | 0 | 0 | 110.5 | ||
| 271 | G | 53.5 | Low | 76.4 | Confident | 83 Ų | 83 | 57.2 Ų | 57.2 | 86% | 0.856 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||
| 272 | R | 63.2 | Low | 75.2 | Confident | 79 Ų | 79 | 59.4 Ų | 59.4 | 30% | 0.298 | 32% | 0.317 | S | S | . | . | S | Bend | 0 | 134.7 | 0 | -76.4 | -169.7 | -179.7 | -180 | 0 | 110.5 | P267 | P267-R272 HydrophobicContact CB-CB 3.47Å; P267-R272 VanDerWaalsContact CB-CB 3.47Å; P267-R272 VanDerWaalsContact CG-C 3.45Å; P267-R272 HydrophobicContact CG-CB 3.58Å; P267-R272 WeakPolarHBondContact CG-O 3.47Å | |
| 273 | L | 62.6 | Low | 73.6 | Confident | 93 Ų | 93 | 55.7 Ų | 55.7 | 49% | 0.487 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 134.8 | -173.6 | -71.7 | 164 | 0 | 0 | 0 | 110.3 | V275 | L273-V275 PolarHBondContact O-N 3.35Š|
| 274 | Q | 76.4 | Confident | 71.5 | Confident | 108 Ų | 108 | 59.8 Ų | 59.8 | 51% | 0.505 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 123.2 | 171.4 | -174.6 | 178.8 | -26.4 | 0 | 0 | 111.2 | V264 | V264-Q274 HydrophobicContact CG1-CG 3.56Š|
| 275 | V | 77.9 | Confident | 69.1 | Low | 8 Ų | 8 | 65.6 Ų | 65.6 | 5% | 0.048 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 0 | -179.7 | -72.2 | 0 | 0 | 0 | 0 | 108.6 | A195 V197 Y229 A265 L273 | A195-V275 HydrophobicContact CB-CB 4.44Å; A195-V275 HydrophobicContact CB-CG1 3.69Å; A195-V275 HydrophobicContact CB-CG2 4.14Å; A195-V275 WeakPolarHBondContact O-CG1 2.99Å; V197-V275 HydrophobicContact CG2-CG2 4.17Å; Y229-V275 HydrophobicContact CE1-CG2 4.11Å; A265-V275 HydrophobicContact CB-CG2 4.01Å; A265-V275 PolarHBondContact N-O 3.37Å; A265-V275 PolarHBondContact O-N 2.48Å; A265-V275 VanDerWaalsContact O-N 3.1Å; L273-V275 PolarHBondContact O-N 3.35Å |
| 276 | E | 84.4 | Confident | 66.5 | Low | 105 Ų | 105 | 71.9 Ų | 71.9 | 49% | 0.491 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 148 | 0 | 63.4 | -177.9 | -171.1 | 0 | 0 | 109.6 | R262 C263 V264 | R262-E276 WeakPolarHBondContact CD-OE2 3.17Å; C263-E276 WeakPolarHBondContact O-CA 3.42Å; C263-E276 WeakPolarHBondContact O-CB 2.39Å; V264-E276 HydrophobicContact CG2-CB 4.04Å | |
| 277 | N | 82.9 | Confident | 64.2 | Low | 38 Ų | 38 | 75.8 Ų | 75.8 | 20% | 0.203 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 147.7 | 172.7 | -155.6 | 1.8 | 0 | 0 | 0 | 110.1 | V197 F199 N205 C263 | V197-N277 HydrophobicContact CB-CB 3.33Å; V197-N277 HydrophobicContact CG1-CB 3.71Å; V197-N277 HydrophobicContact CG2-CB 4.43Å; V197-N277 VanDerWaalsContact O-CB 3.28Å; V197-N277 WeakPolarHBondContact O-CB 3.15Å; V197-N277 VanDerWaalsContact O-CG 3.3Å; V197-N277 PolarHBondContact O-ND2 3.03Å; F199-N277 HydrophobicContact CE2-CB 4.48Å; F199-N277 HydrophobicContact CZ-CB 4.36Å; N205-N277 PolarHBondContact ND2-ND2 3.22Å; N205-N277 PolarHBondContact ND2-OD1 3.15Å; N205-N277 PolarHBondContact OD1-ND2 3.43Å; C263-N277 PolarHBondContact N-O 3.48Å; C263-N277 PolarHBondContact O-N 3.5Å |
| 278 | S | 83.6 | Confident | 62.2 | Low | 36 Ų | 36 | 80.8 Ų | 80.8 | 25% | 0.252 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 127.6 | -175.6 | -62.6 | 0 | 0 | 0 | 0 | 110.4 | N205 I260 Y261 | N205-S278 VanDerWaalsContact CB-O 3.28Å; N205-S278 WeakPolarHBondContact CB-O 3.1Å; I260-S278 WeakPolarHBondContact CG2-OG 3.26Å; Y261-S278 CarbonylContact O-C 3.55Å; Y261-S278 VanDerWaalsContact O-CA 3.23Å; Y261-S278 WeakPolarHBondContact O-CA 3.2Å |
| 279 | L | 82.9 | Confident | 60.1 | Low | 0 Ų | 0 | 81.6 Ų | 81.6 | 0% | 0 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 112.2 | 172.7 | -179.7 | 73 | 0 | 0 | 0 | 110.7 | F199 I202 N205 L207 Q217 W233 L247 Y261 V281 | F199-L279 HydrophobicContact CB-CD1 4.2Å; F199-L279 HydrophobicContact CD1-CD1 4.44Å; F199-L279 HydrophobicContact CD2-CB 4.01Å; F199-L279 HydrophobicContact CD2-CD1 3.45Å; F199-L279 VanDerWaalsContact CD2-CD1 3.45Å; F199-L279 HydrophobicContact CD2-CG 4.35Å; F199-L279 HydrophobicContact CE1-CB 4.07Å; F199-L279 HydrophobicContact CE2-CB 3.47Å; F199-L279 VanDerWaalsContact CE2-CB 3.47Å; F199-L279 HydrophobicContact CE2-CD1 3.84Å; F199-L279 HydrophobicContact CE2-CG 4.3Å; F199-L279 HydrophobicContact CG-CD1 3.79Å; F199-L279 HydrophobicContact CZ-CB 3.5Å; F199-L279 VanDerWaalsContact CZ-CB 3.5Å; F199-L279 HydrophobicContact CZ-CD1 4.48Å; I202-L279 HydrophobicContact CD1-CD1 3.03Å; N205-L279 CarbonylContact O-C 3.46Å; L207-L279 HydrophobicContact CB-CD1 3.97Å; L207-L279 HydrophobicContact CB-CD2 4.41Å; L207-L279 HydrophobicContact CB-CG 4.29Å; L207-L279 HydrophobicContact CD2-CD2 4.23Å; Q217-L279 HydrophobicContact CB-CD2 4.11Å; Q217-L279 HydrophobicContact CG-CD2 4.03Å; W233-L279 HydrophobicContact CH2-CB 4.27Å; W233-L279 HydrophobicContact CH2-CD2 4.26Å; W233-L279 HydrophobicContact CZ3-CB 4.09Å; W233-L279 HydrophobicContact CZ3-CD2 4.37Å; L247-L279 HydrophobicContact CD2-CD2 4.06Å; Y261-L279 PolarHBondContact N-O 2.68Å; Y261-L279 PolarHBondContact O-N 2.64Å; L279-V281 HydrophobicContact CD2-CG2 3.99Å; L279-V281 HydrophobicContact CG-CG2 4.1Å; L279-V281 PolarHBondContact O-N 3.2Å |
| 280 | I | 74.4 | Confident | 58.8 | Low | 65 Ų | 65 | 79.6 Ų | 79.6 | 33% | 0.333 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 109.3 | 178.6 | -60.4 | 173.7 | 0 | 0 | 0 | 109.1 | N205 V206 L207 I260 T282 | N205-I280 PolarHBondContact O-N 3.01Å; V206-I280 CarbonylContact C-O 3.49Å; V206-I280 VanDerWaalsContact CA-O 3.24Å; V206-I280 WeakPolarHBondContact CA-O 3.22Å; V206-I280 HydrophobicContact CG2-CB 4.2Å; V206-I280 HydrophobicContact CG2-CD1 4.37Å; L207-I280 PolarHBondContact N-O 3.05Å; I260-I280 HydrophobicContact CG1-CG1 4.28Å; I280-T282 HydrophobicContact CB-CG2 4.44Å; I280-T282 HydrophobicContact CG2-CG2 3.18Å; I280-T282 PolarHBondContact O-N 2.42Å |
| 281 | V | 71.8 | Confident | 58.3 | Low | 3 Ų | 3 | 71.9 Ų | 71.9 | 2% | 0.018 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 103 | 176.5 | 179.8 | 0 | 0 | 0 | 0 | 109.1 | L207 V209 I215 I252 G259 Y261 L279 | L207-V281 WeakPolarHBondContact O-CA 3.36Å; V209-V281 HydrophobicContact CB-CG1 4.3Å; V209-V281 HydrophobicContact CG2-CG1 3.58Å; I215-V281 HydrophobicContact CD1-CB 4.4Å; I215-V281 HydrophobicContact CD1-CG1 3.6Å; I215-V281 HydrophobicContact CD1-CG2 4.06Å; I215-V281 HydrophobicContact CG1-CG1 4.46Å; I252-V281 HydrophobicContact CD1-CG1 4.4Å; G259-V281 PolarHBondContact N-O 2.45Å; G259-V281 PolarHBondContact O-N 3.09Å; Y261-V281 HydrophobicContact CD2-CB 4.12Å; Y261-V281 HydrophobicContact CD2-CG2 3.47Å; Y261-V281 VanDerWaalsContact CD2-CG2 3.47Å; Y261-V281 HydrophobicContact CE2-CB 4.02Å; Y261-V281 HydrophobicContact CE2-CG2 3.71Å; Y261-V281 HydrophobicContact CG-CG2 4.45Å; L279-V281 HydrophobicContact CD2-CG2 3.99Å; L279-V281 HydrophobicContact CG-CG2 4.1Å; L279-V281 PolarHBondContact O-N 3.2Å |
| 282 | T | 61.5 | Low | 58.3 | Low | 45 Ų | 45 | 70 Ų | 70 | 28% | 0.276 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 132.1 | -178.9 | 54.6 | 0 | 0 | 0 | 0 | 109.3 | V206 L207 E208 V209 I280 | V206-T282 HydrophobicContact CG1-CG2 4.02Å; V206-T282 WeakPolarHBondContact CG1-OG1 3.41Å; L207-T282 PolarHBondContact O-N 2.7Å; E208-T282 CarbonylContact C-O 3.43Å; E208-T282 WeakPolarHBondContact CA-O 3.49Å; V209-T282 PolarHBondContact N-O 2.48Å; I280-T282 HydrophobicContact CB-CG2 4.44Å; I280-T282 HydrophobicContact CG2-CG2 3.18Å; I280-T282 PolarHBondContact O-N 2.42Å |
| 283 | Q | 56.5 | Low | 58 | Low | 36 Ų | 36 | 74.9 Ų | 74.9 | 17% | 0.168 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 103.9 | 175.1 | -167 | 177 | -0.4 | 0 | 0 | 110.1 | V209 E258 | V209-Q283 WeakPolarHBondContact O-CA 2.12Å; V209-Q283 WeakPolarHBondContact O-CG 3.37Å; E258-Q283 HydrophobicContact CG-CB 4.04Å; E258-Q283 VanDerWaalsContact OE1-CA 3.24Å; E258-Q283 WeakPolarHBondContact OE1-CA 2.55Å; E258-Q283 WeakPolarHBondContact OE1-CB 3.17Å; E258-Q283 WeakPolarHBondContact OE1-CG 3.4Å; E258-Q283 PolarHBondContact OE1-N 3.32Å; E258-Q283 VanDerWaalsContact OE1-N 3.15Å; E258-Q283 PolarHBondContact OE1-OE1 2.58Å |
| 284 | H | 43.7 | Very low | 58.6 | Low | 86 Ų | 86 | 71 Ų | 71 | 40% | 0.398 | 36% | 0.363 | S | S | . | . | trans | -74.3 | 113.2 | -179.4 | -154.3 | -17.6 | 0 | 0 | 0 | 110.4 | E208 | E208-H284 HydrophobicContact CB-CB 3.83Å; E208-H284 HydrophobicContact CG-CB 3.98Å; E208-H284 IonicContact OE1-CD2 3.87Å; E208-H284 PolarHBondContact OE1-CD2 3.46Å; E208-H284 IonicContact OE1-CG 2.41Å; E208-H284 IonicContact OE1-NE2 3.95Å; E208-H284 PolarHBondContact OE1-NE2 2.82Å; E208-H284 IonicContact OE2-CD2 3.12Å; E208-H284 PolarHBondContact OE2-CD2 3.48Å; E208-H284 IonicContact OE2-CG 3.1Å; E208-H284 IonicContact OE2-NE2 3.52Å; E208-H284 PolarHBondContact OE2-NE2 2.83Å | ||
| 285 | D | 40.1 | Very low | 58.3 | Low | 125 Ų | 125 | 70.6 Ų | 70.6 | 67% | 0.668 | 36% | 0.362 | S | S | * | . | trans | -97.8 | 66.1 | -175.3 | -85 | -16.5 | 0 | 0 | 0 | 110.4 | S287 | D285-S287 PolarHBondContact O-N 3.36Š| ||
| 286 | F | 30.2 | Very low | 58.5 | Low | 131 Ų | 131 | 71.6 Ų | 71.6 | 58% | 0.575 | 37% | 0.367 | S | S | * | . | trans | -32.2 | 101.6 | 154.9 | -83.8 | -80.7 | 0 | 0 | 0 | 110.9 | E288 N289 | F286-E288 PolarHBondContact O-N 2.85Å; F286-N289 HydrophobicContact CB-CB 3.99Å | ||
| 287 | S | 35.1 | Very low | 58 | Low | 118 Ų | 118 | 68.7 Ų | 68.7 | 83% | 0.825 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -31 | 0 | 132.7 | 70.5 | 0 | 0 | 0 | 0 | 111.4 | D285 | D285-S287 PolarHBondContact O-N 3.36Š|
| 288 | E | 32.4 | Very low | 58.1 | Low | 130 Ų | 130 | 69.9 Ų | 69.9 | 61% | 0.607 | 37% | 0.365 | S | S | * | . | S | Bend | 0 | 0 | 0 | -81.5 | -174 | 179.8 | 0 | 0 | 109.7 | F286 L323 | F286-E288 PolarHBondContact O-N 2.85Å; E288-L323 HydrophobicContact CB-CD2 3.61Å; E288-L323 HydrophobicContact CG-CD2 3.82Å | |
| 289 | N | 32 | Very low | 57.7 | Low | 112 Ų | 112 | 72.2 Ų | 72.2 | 60% | 0.599 | 37% | 0.374 | S | S | * | . | 0 | 93.5 | 0 | -89.2 | -16.4 | 0 | 0 | 0 | 109.6 | F286 | F286-N289 HydrophobicContact CB-CB 3.99Š| |||
| 290 | I | 36.2 | Very low | 57.4 | Low | 61 Ų | 61 | 78.1 Ų | 78.1 | 31% | 0.313 | 40% | 0.402 | S | S | . | . | trans | -32.3 | 0 | 142.6 | -60.5 | 163.9 | 0 | 0 | 0 | 109.9 | L292 S318 | I290-L292 PolarHBondContact O-N 2.49Å; I290-S318 WeakPolarHBondContact CB-OG 3.49Å; I290-S318 WeakPolarHBondContact CD1-O 3.34Å; I290-S318 WeakPolarHBondContact CG1-OG 3.4Å; I290-S318 WeakPolarHBondContact CG2-OG 3.02Å | ||
| 291 | A | 42.2 | Very low | 57.9 | Low | 48 Ų | 48 | 79.4 Ų | 79.4 | 40% | 0.397 | 41% | 0.406 | S | S | . | . | 0 | 103.3 | 0 | 0 | 0 | 0 | 0 | 0 | 111.5 | R293 | A291-R293 PolarHBondContact O-N 2.71Š| |||
| 292 | L | 54.1 | Low | 58.2 | Low | 43 Ų | 43 | 82.6 Ų | 82.6 | 23% | 0.225 | 42% | 0.423 | C | S | . | . | trans | -57.3 | 94.6 | 175.3 | -66.4 | 167.2 | 0 | 0 | 0 | 110.7 | I290 F294 L315 T325 F329 | I290-L292 PolarHBondContact O-N 2.49Å; L292-F294 HydrophobicContact CB-CE2 3.88Å; L292-F294 HydrophobicContact CB-CZ 4.32Å; L292-L315 HydrophobicContact CB-CD1 3.6Å; L292-L315 HydrophobicContact CB-CG 4.4Å; L292-L315 HydrophobicContact CD2-CD1 3.54Å; L292-L315 HydrophobicContact CD2-CD2 3.21Å; L292-L315 HydrophobicContact CD2-CG 3.74Å; L292-L315 HydrophobicContact CG-CD1 4.1Å; L292-T325 HydrophobicContact CD2-CG2 3.56Å; L292-F329 HydrophobicContact CB-CZ 4.48Å; L292-F329 HydrophobicContact CD1-CE1 3.68Å; L292-F329 HydrophobicContact CD1-CE2 3.66Å; L292-F329 HydrophobicContact CD1-CZ 2.78Å; L292-F329 HydrophobicContact CD2-CZ 4.41Å; L292-F329 HydrophobicContact CG-CZ 4.05Å | ||
| 293 | R | 57.7 | Low | 59 | Low | 181 Ų | 181 | 81.8 Ų | 81.8 | 68% | 0.683 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 0 | 176.4 | -137.5 | -168.5 | -129.1 | -124.5 | 2 | 110.3 | A291 L315 V316 | A291-R293 PolarHBondContact O-N 2.71Å; R293-L315 CarbonylContact O-C 3.38Å; R293-L315 WeakPolarHBondContact O-CA 2.79Å; R293-V316 HydrophobicContact CB-CB 4.11Å; R293-V316 PolarHBondContact O-N 3.41Å |
| 294 | F | 74.3 | Confident | 59.8 | Low | 11 Ų | 11 | 84.4 Ų | 84.4 | 5% | 0.048 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 123.9 | 0 | -66.1 | -86.1 | 0 | 0 | 0 | 109.8 | L292 I313 I314 L315 F329 Y331 I366 Y373 L377 | L292-F294 HydrophobicContact CB-CE2 3.88Å; L292-F294 HydrophobicContact CB-CZ 4.32Å; F294-I313 HydrophobicContact CB-CG2 3.86Å; F294-I313 HydrophobicContact CD1-CG2 3.55Å; F294-I313 HydrophobicContact CG-CG2 4.15Å; F294-I314 WeakPolarHBondContact CA-O 3.47Å; F294-L315 HydrophobicContact CD1-CD1 3.75Å; F294-L315 HydrophobicContact CD2-CD1 4.3Å; F294-L315 HydrophobicContact CE1-CD1 3.2Å; F294-L315 HydrophobicContact CE2-CD1 3.83Å; F294-L315 HydrophobicContact CG-CD1 4.26Å; F294-L315 HydrophobicContact CZ-CD1 3.26Å; F294-F329 HydrophobicContact CE1-CD1 4.49Å; F294-F329 HydrophobicContact CE1-CD2 4.09Å; F294-F329 HydrophobicContact CE1-CE2 4.3Å; F294-F329 HydrophobicContact CE1-CG 4.18Å; F294-F329 HydrophobicContact CE2-CD1 4.36Å; F294-F329 HydrophobicContact CE2-CE1 4.03Å; F294-F329 HydrophobicContact CE2-CZ 4.2Å; F294-F329 AromaticContact CZ-CD1 3.64Å; F294-F329 HydrophobicContact CZ-CD1 3.64Å; F294-F329 AromaticContact CZ-CD2 3.73Å; F294-F329 HydrophobicContact CZ-CD2 3.73Å; F294-F329 AromaticContact CZ-CE1 3.54Å; F294-F329 HydrophobicContact CZ-CE1 3.54Å; F294-F329 AromaticContact CZ-CE2 3.63Å; F294-F329 HydrophobicContact CZ-CE2 3.63Å; F294-F329 AromaticContact CZ-CG 3.73Å; F294-F329 HydrophobicContact CZ-CG 3.73Å; F294-F329 AromaticContact CZ-CZ 3.54Å; F294-F329 HydrophobicContact CZ-CZ 3.54Å; F294-Y331 HydrophobicContact CD1-CE1 4.28Å; F294-Y331 HydrophobicContact CE1-CE1 4.17Å; F294-I366 HydrophobicContact CB-CD1 3.9Å; F294-I366 HydrophobicContact CD1-CD1 4.14Å; F294-I366 HydrophobicContact CD2-CD1 4.14Å; F294-I366 HydrophobicContact CE1-CG2 4.24Å; F294-I366 HydrophobicContact CE2-CG2 4.3Å; F294-I366 HydrophobicContact CG-CD1 3.81Å; F294-I366 HydrophobicContact CZ-CG2 4.03Å; F294-Y373 HydrophobicContact CD2-CE1 4.27Å; F294-Y373 AromaticContact CE2-CE1 3.56Å; F294-Y373 HydrophobicContact CE2-CE1 3.56Å; F294-Y373 AromaticContact CE2-CZ 3.9Å; F294-Y373 HydrophobicContact CZ-CE1 4.35Å; F294-L377 HydrophobicContact CB-CD1 3.53Å | |
| 295 | Q | 70.8 | Confident | 60.8 | Low | 100 Ų | 100 | 84.9 Ų | 84.9 | 47% | 0.467 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 0 | 175.5 | 172.8 | -180 | -11.3 | 0 | 0 | 109.3 | I313 I314 V316 | Q295-I313 WeakPolarHBondContact O-CA 1.97Å; Q295-I314 HydrophobicContact CB-CG1 4.36Å; Q295-I314 PolarHBondContact N-O 2.87Å; Q295-I314 PolarHBondContact O-N 3.48Å; Q295-V316 HydrophobicContact CB-CG2 4.26Å |
| 296 | I | 82.1 | Confident | 62.1 | Low | 30 Ų | 30 | 82 Ų | 82 | 15% | 0.154 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 117.4 | 0 | -61.1 | 172.4 | 0 | 0 | 0 | 109.1 | R311 R312 I313 W333 V364 L377 T379 | I296-R311 HydrophobicContact CG2-CB 3.89Å; I296-R311 HydrophobicContact CG2-CG 4.46Å; I296-R312 CarbonylContact C-O 3.52Å; I296-I313 HydrophobicContact CG1-CG1 4.27Å; I296-W333 HydrophobicContact CD1-CH2 3.94Å; I296-W333 HydrophobicContact CD1-CZ3 4.4Å; I296-W333 HydrophobicContact CG1-CH2 4.29Å; I296-W333 HydrophobicContact CG2-CH2 4.15Å; I296-V364 HydrophobicContact CD1-CG1 4.36Å; I296-L377 HydrophobicContact CD1-CB 3.77Å; I296-L377 HydrophobicContact CG1-CB 4.26Å; I296-T379 HydrophobicContact CD1-CG2 4.37Å | |
| 297 | T | 73.7 | Confident | 64.5 | Low | 44 Ų | 44 | 75.9 Ų | 75.9 | 27% | 0.27 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 141.6 | 179.8 | -29.5 | 0 | 0 | 0 | 0 | 109.3 | R311 R312 I314 | T297-R311 CarbonylContact O-C 3.52Å; T297-R311 WeakPolarHBondContact O-CA 3.24Å; T297-R312 PolarHBondContact N-O 2.61Å; T297-R312 PolarHBondContact O-N 3.22Å; T297-I314 WeakPolarHBondContact OG1-CD1 2.92Å; T297-I314 WeakPolarHBondContact OG1-CG1 2.96Å |
| 298 | T | 83.7 | Confident | 67 | Low | 62 Ų | 62 | 74.1 Ų | 74.1 | 38% | 0.38 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 116 | 178.8 | -54.6 | 0 | 0 | 0 | 0 | 110.2 | E301 | T298-E301 HydrophobicContact CG2-CB 3.95Å; T298-E301 HydrophobicContact CG2-CG 3.91Å; T298-E301 VanDerWaalsContact CG2-OE2 3.22Å; T298-E301 WeakPolarHBondContact CG2-OE2 3.24Å |
| 299 | L | 76.8 | Confident | 69.1 | Low | 85 Ų | 85 | 68 Ų | 68 | 45% | 0.445 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | -36.7 | -179.7 | -65.9 | 174.3 | 0 | 0 | 0 | 110.8 | H310 R312 | L299-H310 HydrophobicContact CB-CB 4.49Å; L299-H310 WeakPolarHBondContact CD1-NE2 3.03Å; L299-H310 PolarHBondContact N-O 2.7Å; L299-R312 HydrophobicContact CD1-CB 3.84Å; L299-R312 HydrophobicContact CG-CB 4.25Å |
| 300 | E | 76 | Confident | 71.7 | Confident | 125 Ų | 125 | 64 Ų | 64 | 58% | 0.584 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -163.6 | 140.4 | 178 | -87.7 | -178.8 | -176.3 | 0 | 0 | 109.5 | F308 H310 | E300-F308 HydrophobicContact CB-CE2 4.07Å; E300-H310 HydrophobicContact CB-CB 4.33Å; E300-H310 PolarHBondContact N-O 2.93Å; E300-H310 WeakPolarHBondContact O-CA 3.35Å; E300-H310 PolarHBondContact O-N 3.4Å |
| 301 | E | 84.5 | Confident | 74 | Confident | 91 Ų | 91 | 62 Ų | 62 | 43% | 0.425 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 0 | 178.7 | 64.6 | -177.4 | -167 | 0 | 0 | 109.7 | T298 L303 F308 R311 | T298-E301 HydrophobicContact CG2-CB 3.95Å; T298-E301 HydrophobicContact CG2-CG 3.91Å; T298-E301 VanDerWaalsContact CG2-OE2 3.22Å; T298-E301 WeakPolarHBondContact CG2-OE2 3.24Å; E301-L303 HydrophobicContact CG-CG 4.49Å; E301-F308 CarbonylContact C-O 3.36Å; E301-F308 WeakPolarHBondContact CA-O 3.26Å; E301-R311 IonicContact OE2-NH2 3.88Å |
| 302 | D | 78.3 | Confident | 76.1 | Confident | 70 Ų | 70 | 64.8 Ų | 64.8 | 37% | 0.374 | 33% | 0.326 | S | S | . | . | 0 | 0 | 0 | -176.1 | 2.4 | 0 | 0 | 0 | 109.2 | N304 G307 F308 F353 | D302-N304 VanDerWaalsContact C-N 3.31Å; D302-N304 PolarHBondContact O-N 2.46Å; D302-N304 VanDerWaalsContact O-N 3.17Å; D302-N304 PolarHBondContact OD1-ND2 2.78Å; D302-G307 CarbonylContact O-C 3.48Å; D302-G307 WeakPolarHBondContact O-CA 3.29Å; D302-F308 CarbonylContact C-O 3.6Å; D302-F308 HydrophobicContact CB-CD1 4.08Å; D302-F308 HydrophobicContact CB-CE1 4.1Å; D302-F308 PolarHBondContact N-O 3.43Å; D302-F308 PolarHBondContact O-N 3.2Å; D302-F353 WeakPolarHBondContact O-CD2 3.05Å | |||
| 303 | L | 79.1 | Confident | 77.5 | Confident | 28 Ų | 28 | 63 Ų | 63 | 15% | 0.147 | 32% | 0.317 | C | S | . | . | 0 | 37.8 | 0 | -62.6 | 172.5 | 0 | 0 | 0 | 109.7 | E301 F353 I381 D384 | E301-L303 HydrophobicContact CG-CG 4.49Å; L303-F353 HydrophobicContact CD2-CE2 3.95Å; L303-F353 HydrophobicContact CD2-CZ 4.23Å; L303-I381 HydrophobicContact CD2-CG2 3.59Å; L303-D384 HydrophobicContact CB-CB 4.08Å; L303-D384 PolarHBondContact O-N 2.74Å | |||
| 304 | N | 73.6 | Confident | 78.3 | Confident | 92 Ų | 92 | 57.9 Ų | 57.9 | 49% | 0.492 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -107.6 | 0 | 170.2 | -64.8 | -41 | 0 | 0 | 0 | 110 | D302 G306 G307 | D302-N304 VanDerWaalsContact C-N 3.31Å; D302-N304 PolarHBondContact O-N 2.46Å; D302-N304 VanDerWaalsContact O-N 3.17Å; D302-N304 PolarHBondContact OD1-ND2 2.78Å; N304-G306 PolarHBondContact O-N 2.88Å; N304-G306 VanDerWaalsContact O-N 3.12Å; N304-G307 WeakPolarHBondContact O-CA 3.01Å; N304-G307 PolarHBondContact O-N 2.82Å |
| 305 | I | 64 | Low | 78.1 | Confident | 95 Ų | 95 | 60.9 Ų | 60.9 | 49% | 0.487 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 115.8 | 0 | -65.5 | 174.2 | 0 | 0 | 0 | 109.2 | H354 P356 F359 L383 | I305-H354 WeakPolarHBondContact CG2-O 3.35Å; I305-P356 HydrophobicContact CD1-CG 3.78Å; I305-F359 HydrophobicContact CG1-CE2 3.84Å; I305-F359 HydrophobicContact CG1-CZ 4.34Å; I305-L383 HydrophobicContact CD1-CD1 4.3Å; I305-L383 HydrophobicContact CG1-CD1 3.66Å | |
| 306 | G | 66.7 | Low | 77.3 | Confident | 66 Ų | 66 | 59 Ų | 59 | 68% | 0.68 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 106 | -6.8 | -169.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | N304 F353 | N304-G306 PolarHBondContact O-N 2.88Å; N304-G306 VanDerWaalsContact O-N 3.12Å; G306-F353 WeakPolarHBondContact CA-O 3.49Å; G306-F353 PolarHBondContact N-O 3.11Å |
| 307 | G | 80.9 | Confident | 75.8 | Confident | 2 Ų | 2 | 62.7 Ų | 62.7 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | trans | -89.7 | -168 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | D302 N304 N352 F353 | D302-G307 CarbonylContact O-C 3.48Å; D302-G307 WeakPolarHBondContact O-CA 3.29Å; N304-G307 WeakPolarHBondContact O-CA 3.01Å; N304-G307 PolarHBondContact O-N 2.82Å; G307-N352 WeakPolarHBondContact O-CA 3.19Å; G307-F353 PolarHBondContact O-N 3.25Å | ||
| 308 | F | 87.2 | Confident | 74.4 | Confident | 80 Ų | 80 | 63.3 Ų | 63.3 | 35% | 0.351 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 163.4 | -177.3 | 64.3 | -87 | 0 | 0 | 0 | 109.6 | E300 E301 D302 I351 N352 | E300-F308 HydrophobicContact CB-CE2 4.07Å; E301-F308 CarbonylContact C-O 3.36Å; E301-F308 WeakPolarHBondContact CA-O 3.26Å; D302-F308 CarbonylContact C-O 3.6Å; D302-F308 HydrophobicContact CB-CD1 4.08Å; D302-F308 HydrophobicContact CB-CE1 4.1Å; D302-F308 PolarHBondContact N-O 3.43Å; D302-F308 PolarHBondContact O-N 3.2Å; F308-I351 CarbonylContact C-O 3.39Å; F308-I351 VanDerWaalsContact CA-O 3.25Å; F308-I351 WeakPolarHBondContact CA-O 3.49Å; F308-N352 WeakPolarHBondContact CB-OD1 3.27Å |
| 309 | T | 77.1 | Confident | 72.3 | Confident | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.006 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 134.5 | 170.1 | -173.4 | 0 | 0 | 0 | 0 | 109 | I351 F353 I381 | T309-I351 HydrophobicContact CG2-CB 4.07Å; T309-I351 PolarHBondContact N-O 1.9Å; T309-I351 PolarHBondContact O-N 3.06Å; T309-I351 VanDerWaalsContact O-N 3.08Å; T309-F353 VanDerWaalsContact CB-CZ 3.44Å; T309-F353 HydrophobicContact CG2-CE1 3.91Å; T309-F353 HydrophobicContact CG2-CE2 4.27Å; T309-F353 HydrophobicContact CG2-CZ 3.37Å; T309-I381 HydrophobicContact CG2-CD1 3.46Å; T309-I381 VanDerWaalsContact CG2-CD1 3.46Å |
| 310 | H | 87 | Confident | 70.4 | Confident | 29 Ų | 29 | 69.9 Ų | 69.9 | 13% | 0.134 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 113.3 | 175 | -176.2 | 176 | 0 | 0 | 0 | 109.1 | L299 E300 D348 L349 | L299-H310 HydrophobicContact CB-CB 4.49Å; L299-H310 WeakPolarHBondContact CD1-NE2 3.03Å; L299-H310 PolarHBondContact N-O 2.7Å; E300-H310 HydrophobicContact CB-CB 4.33Å; E300-H310 PolarHBondContact N-O 2.93Å; E300-H310 WeakPolarHBondContact O-CA 3.35Å; E300-H310 PolarHBondContact O-N 3.4Å; H310-D348 IonicContact NE2-OD1 3.82Å; H310-L349 WeakPolarHBondContact CA-O 3.41Å |
| 311 | R | 84.5 | Confident | 68.7 | Low | 20 Ų | 20 | 68.1 Ų | 68.1 | 8% | 0.075 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 147.4 | -178.5 | -63.5 | -160.8 | 177.5 | -173 | -0.2 | 109.8 | I296 T297 E301 D348 L349 T379 | I296-R311 HydrophobicContact CG2-CB 3.89Å; I296-R311 HydrophobicContact CG2-CG 4.46Å; T297-R311 CarbonylContact O-C 3.52Å; T297-R311 WeakPolarHBondContact O-CA 3.24Å; E301-R311 IonicContact OE2-NH2 3.88Å; R311-D348 CarbonylContact O-C 3.6Å; R311-D348 WeakPolarHBondContact O-CA 2.94Å; R311-L349 HydrophobicContact CB-CB 4.25Å; R311-L349 PolarHBondContact N-O 2.98Å; R311-L349 PolarHBondContact O-N 3.49Å; R311-T379 CovalentContact NH1-OG1 1.52Å; R311-T379 PolarHBondContact NH1-OG1 3.29Å |
| 312 | R | 86.8 | Confident | 66.2 | Low | 105 Ų | 105 | 71.3 Ų | 71.3 | 40% | 0.396 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 145.9 | -178.6 | 170 | 176.5 | -76 | -167.2 | 2.4 | 109.5 | I296 T297 L299 I314 P347 D348 | I296-R312 CarbonylContact C-O 3.52Å; T297-R312 PolarHBondContact N-O 2.61Å; T297-R312 PolarHBondContact O-N 3.22Å; L299-R312 HydrophobicContact CD1-CB 3.84Å; L299-R312 HydrophobicContact CG-CB 4.25Å; R312-I314 HydrophobicContact CG-CG2 4.18Å; R312-P347 CarbonylContact C-O 3.53Å; R312-P347 WeakPolarHBondContact CA-O 3.09Å; R312-P347 HydrophobicContact CG-CB 4.38Å; R312-D348 WeakPolarHBondContact CA-OD1 3.18Å; R312-D348 WeakPolarHBondContact CB-OD1 3.3Å; R312-D348 WeakPolarHBondContact CD-OD1 2.39Å; R312-D348 WeakPolarHBondContact CG-OD1 2.83Å; R312-D348 IonicContact CZ-OD1 2.67Å; R312-D348 IonicContact CZ-OD2 3.52Å; R312-D348 IonicContact NE-OD1 3.01Å; R312-D348 PolarHBondContact NE-OD1 2.57Å; R312-D348 IonicContact NE-OD2 3.95Å; R312-D348 PolarHBondContact NE-OD2 3.12Å; R312-D348 IonicContact NH2-OD1 3.68Å; R312-D348 IonicContact NH2-OD2 3.06Å; R312-D348 PolarHBondContact NH2-OD2 3.49Å |
| 313 | I | 82.4 | Confident | 63.9 | Low | 7 Ų | 7 | 71.5 Ų | 71.5 | 4% | 0.036 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 0 | 173.6 | -63.1 | 170.1 | 0 | 0 | 0 | 108.9 | F294 Q295 I296 Y331 W333 P347 V364 I366 | F294-I313 HydrophobicContact CB-CG2 3.86Å; F294-I313 HydrophobicContact CD1-CG2 3.55Å; F294-I313 HydrophobicContact CG-CG2 4.15Å; Q295-I313 WeakPolarHBondContact O-CA 1.97Å; I296-I313 HydrophobicContact CG1-CG1 4.27Å; I313-Y331 HydrophobicContact CB-CD1 4.4Å; I313-Y331 HydrophobicContact CB-CE1 4.13Å; I313-Y331 HydrophobicContact CD1-CD1 3.38Å; I313-Y331 HydrophobicContact CD1-CE1 3.92Å; I313-Y331 HydrophobicContact CD1-CG 4.27Å; I313-Y331 HydrophobicContact CG2-CD1 4.37Å; I313-Y331 HydrophobicContact CG2-CE1 3.76Å; I313-W333 HydrophobicContact CD1-CZ2 3.92Å; I313-W333 HydrophobicContact CG1-CZ2 3.88Å; I313-P347 HydrophobicContact CB-CB 4.11Å; I313-P347 WeakPolarHBondContact CG1-O 3.22Å; I313-P347 PolarHBondContact N-O 3.12Å; I313-V364 HydrophobicContact CD1-CB 3.99Å; I313-V364 HydrophobicContact CD1-CG1 3.63Å; I313-V364 HydrophobicContact CD1-CG2 3.41Å; I313-V364 VanDerWaalsContact CD1-CG2 3.41Å; I313-V364 HydrophobicContact CG1-CG1 4.5Å; I313-I366 HydrophobicContact CD1-CD1 4.36Å; I313-I366 HydrophobicContact CD1-CG1 4.36Å; I313-I366 HydrophobicContact CG2-CD1 4.39Å |
| 314 | I | 75 | Confident | 62 | Low | 72 Ų | 72 | 76.6 Ų | 76.6 | 37% | 0.369 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 143.7 | 0 | 48.3 | 166.8 | 0 | 0 | 0 | 107.9 | F294 Q295 T297 R312 | F294-I314 WeakPolarHBondContact CA-O 3.47Å; Q295-I314 HydrophobicContact CB-CG1 4.36Å; Q295-I314 PolarHBondContact N-O 2.87Å; Q295-I314 PolarHBondContact O-N 3.48Å; T297-I314 WeakPolarHBondContact OG1-CD1 2.92Å; T297-I314 WeakPolarHBondContact OG1-CG1 2.96Å; R312-I314 HydrophobicContact CG-CG2 4.18Å | |
| 315 | L | 69.1 | Low | 60.5 | Low | 74 Ų | 74 | 75.2 Ų | 75.2 | 39% | 0.387 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 108.7 | 174.8 | -156.6 | 88.6 | 0 | 0 | 0 | 110.3 | L292 R293 F294 F329 | L292-L315 HydrophobicContact CB-CD1 3.6Å; L292-L315 HydrophobicContact CB-CG 4.4Å; L292-L315 HydrophobicContact CD2-CD1 3.54Å; L292-L315 HydrophobicContact CD2-CD2 3.21Å; L292-L315 HydrophobicContact CD2-CG 3.74Å; L292-L315 HydrophobicContact CG-CD1 4.1Å; R293-L315 CarbonylContact O-C 3.38Å; R293-L315 WeakPolarHBondContact O-CA 2.79Å; F294-L315 HydrophobicContact CD1-CD1 3.75Å; F294-L315 HydrophobicContact CD2-CD1 4.3Å; F294-L315 HydrophobicContact CE1-CD1 3.2Å; F294-L315 HydrophobicContact CE2-CD1 3.83Å; F294-L315 HydrophobicContact CG-CD1 4.26Å; F294-L315 HydrophobicContact CZ-CD1 3.26Å; L315-F329 HydrophobicContact CD1-CE2 4.32Å |
| 316 | V | 55.4 | Low | 59.7 | Low | 62 Ų | 62 | 82.4 Ų | 82.4 | 38% | 0.376 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 0 | -175.2 | -171.9 | 0 | 0 | 0 | 0 | 109 | R293 Q295 | R293-V316 HydrophobicContact CB-CB 4.11Å; R293-V316 PolarHBondContact O-N 3.41Å; Q295-V316 HydrophobicContact CB-CG2 4.26Å |
| 317 | D | 50.1 | Low | 58.9 | Low | 106 Ų | 106 | 81.2 Ų | 81.2 | 57% | 0.567 | 42% | 0.419 | S | S | * | . | 0 | 0 | 0 | -156.8 | -5.6 | 0 | 0 | 0 | 110.8 | |||||
| 318 | S | 44.3 | Very low | 57.9 | Low | 57 Ų | 57 | 84.8 Ų | 84.8 | 40% | 0.399 | 44% | 0.441 | S | S | . | . | 0 | 0 | 0 | 66.9 | 0 | 0 | 0 | 0 | 110.9 | I290 | I290-S318 WeakPolarHBondContact CB-OG 3.49Å; I290-S318 WeakPolarHBondContact CD1-O 3.34Å; I290-S318 WeakPolarHBondContact CG1-OG 3.4Å; I290-S318 WeakPolarHBondContact CG2-OG 3.02Å | |||
| 319 | S | 39.1 | Very low | 57.3 | Low | 116 Ų | 116 | 82.5 Ų | 82.5 | 81% | 0.811 | 43% | 0.431 | S | S | * | . | S | Bend | 0 | 0 | 0 | 62.2 | 0 | 0 | 0 | 0 | 110.6 | |||
| 320 | K | 37 | Very low | 57.4 | Low | 169 Ų | 169 | 86.6 Ų | 86.6 | 74% | 0.735 | 45% | 0.452 | S | S | * | . | 0 | 0 | 0 | -85.8 | -172.2 | -177 | -178.7 | 0 | 109.3 | N322 | K320-N322 PolarHBondContact O-N 3.12Š| |||
| 321 | P | 39.9 | Very low | 57.3 | Low | 88 Ų | 88 | 87.2 Ų | 87.2 | 57% | 0.571 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 16.2 | 0.8 | 0 | 0 | 0 | 111.7 | |||
| 322 | N | 32.8 | Very low | 57.3 | Low | 159 Ų | 159 | 90.1 Ų | 90.1 | 85% | 0.85 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 40.9 | 0 | -78 | -21.4 | 0 | 0 | 0 | 109.7 | K320 | K320-N322 PolarHBondContact O-N 3.12Š| |
| 323 | L | 30.9 | Very low | 57.5 | Low | 73 Ų | 73 | 85.1 Ų | 85.1 | 38% | 0.382 | 45% | 0.449 | S | S | . | . | trans | -124.5 | 0 | 166.1 | -99.7 | 120.3 | 0 | 0 | 0 | 109.1 | E288 | E288-L323 HydrophobicContact CB-CD2 3.61Å; E288-L323 HydrophobicContact CG-CD2 3.82Å | ||
| 324 | T | 38.7 | Very low | 57.7 | Low | 135 Ų | 135 | 85.4 Ų | 85.4 | 83% | 0.828 | 45% | 0.45 | S | S | * | . | 0 | 0 | 0 | 49.7 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 325 | T | 41.2 | Very low | 58.2 | Low | 64 Ų | 64 | 83.8 Ų | 83.8 | 39% | 0.393 | 44% | 0.442 | S | S | . | . | 0 | 0 | 0 | 71.5 | 0 | 0 | 0 | 0 | 109.9 | L292 E327 | L292-T325 HydrophobicContact CD2-CG2 3.56Å; T325-E327 PolarHBondContact O-N 2.69Å | |||
| 326 | R | 48.5 | Very low | 58.6 | Low | 245 Ų | 245 | 82.4 Ų | 82.4 | 93% | 0.925 | 44% | 0.437 | S | S | * | . | 0 | 0 | 0 | -89.5 | -178.7 | 178.7 | 173.8 | 0.6 | 110.4 | |||||
| 327 | E | 48.9 | Very low | 59.7 | Low | 41 Ų | 41 | 85.7 Ų | 85.7 | 19% | 0.192 | 45% | 0.449 | C | S | . | . | 0 | 130.7 | 0 | -175.7 | 68.3 | -140.7 | 0 | 0 | 110.3 | T325 F329 L369 N370 S371 | T325-E327 PolarHBondContact O-N 2.69Å; E327-F329 HydrophobicContact CB-CE2 4.4Å; E327-F329 HydrophobicContact CB-CZ 4.2Å; E327-F329 HydrophobicContact CG-CE1 4.05Å; E327-F329 HydrophobicContact CG-CE2 4.37Å; E327-F329 HydrophobicContact CG-CZ 3.9Å; E327-L369 PolarHBondContact OE1-N 3.49Å; E327-L369 VanDerWaalsContact OE1-N 3.08Å; E327-N370 VanDerWaalsContact OE1-CA 3.32Å; E327-N370 WeakPolarHBondContact OE1-CA 3.33Å; E327-N370 WeakPolarHBondContact OE1-CB 3.25Å; E327-N370 PolarHBondContact OE1-N 2.77Å; E327-N370 VanDerWaalsContact OE2-CB 3.28Å; E327-N370 WeakPolarHBondContact OE2-CB 3.17Å; E327-S371 PolarHBondContact OE1-N 2.98Å | |||
| 328 | T | 59.6 | Low | 60.7 | Low | 78 Ų | 78 | 85.4 Ų | 85.4 | 48% | 0.479 | 45% | 0.445 | S | S | . | . | trans | -94.5 | 0 | 173.9 | -12.7 | 0 | 0 | 0 | 0 | 109.6 | L369 | T328-L369 PolarHBondContact O-N 2.95Š| ||
| 329 | F | 75.7 | Confident | 62.3 | Low | 31 Ų | 31 | 86.6 Ų | 86.6 | 14% | 0.136 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 137.8 | 0 | -64.8 | -80.8 | 0 | 0 | 0 | 109.4 | L292 F294 L315 E327 Y331 I366 T367 Y373 | L292-F329 HydrophobicContact CB-CZ 4.48Å; L292-F329 HydrophobicContact CD1-CE1 3.68Å; L292-F329 HydrophobicContact CD1-CE2 3.66Å; L292-F329 HydrophobicContact CD1-CZ 2.78Å; L292-F329 HydrophobicContact CD2-CZ 4.41Å; L292-F329 HydrophobicContact CG-CZ 4.05Å; F294-F329 HydrophobicContact CE1-CD1 4.49Å; F294-F329 HydrophobicContact CE1-CD2 4.09Å; F294-F329 HydrophobicContact CE1-CE2 4.3Å; F294-F329 HydrophobicContact CE1-CG 4.18Å; F294-F329 HydrophobicContact CE2-CD1 4.36Å; F294-F329 HydrophobicContact CE2-CE1 4.03Å; F294-F329 HydrophobicContact CE2-CZ 4.2Å; F294-F329 AromaticContact CZ-CD1 3.64Å; F294-F329 HydrophobicContact CZ-CD1 3.64Å; F294-F329 AromaticContact CZ-CD2 3.73Å; F294-F329 HydrophobicContact CZ-CD2 3.73Å; F294-F329 AromaticContact CZ-CE1 3.54Å; F294-F329 HydrophobicContact CZ-CE1 3.54Å; F294-F329 AromaticContact CZ-CE2 3.63Å; F294-F329 HydrophobicContact CZ-CE2 3.63Å; F294-F329 AromaticContact CZ-CG 3.73Å; F294-F329 HydrophobicContact CZ-CG 3.73Å; F294-F329 AromaticContact CZ-CZ 3.54Å; F294-F329 HydrophobicContact CZ-CZ 3.54Å; L315-F329 HydrophobicContact CD1-CE2 4.32Å; E327-F329 HydrophobicContact CB-CE2 4.4Å; E327-F329 HydrophobicContact CB-CZ 4.2Å; E327-F329 HydrophobicContact CG-CE1 4.05Å; E327-F329 HydrophobicContact CG-CE2 4.37Å; E327-F329 HydrophobicContact CG-CZ 3.9Å; F329-Y331 HydrophobicContact CB-CE1 4.37Å; F329-Y331 HydrophobicContact CB-CE2 4Å; F329-I366 HydrophobicContact CB-CG2 3.82Å; F329-I366 HydrophobicContact CD1-CG2 3.75Å; F329-I366 HydrophobicContact CG-CG2 4.08Å; F329-T367 CarbonylContact C-O 3.58Å; F329-T367 VanDerWaalsContact CA-O 3.29Å; F329-T367 WeakPolarHBondContact CA-O 3.28Å; F329-Y373 AromaticContact CD1-CD1 3.92Å; F329-Y373 HydrophobicContact CD1-CD1 3.92Å; F329-Y373 HydrophobicContact CD1-CE1 4.31Å; F329-Y373 AromaticContact CE1-CD1 3.52Å; F329-Y373 HydrophobicContact CE1-CD1 3.52Å; F329-Y373 AromaticContact CE1-CE1 3.91Å; F329-Y373 HydrophobicContact CE1-CE1 3.91Å; F329-Y373 HydrophobicContact CE1-CG 4.28Å | |
| 330 | I | 77.9 | Confident | 64.1 | Low | 88 Ų | 88 | 84.3 Ų | 84.3 | 45% | 0.451 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 0 | 172.3 | -63.4 | 173.3 | 0 | 0 | 0 | 109.3 | I366 T367 L369 | I330-I366 CarbonylContact O-C 3.39Å; I330-I366 WeakPolarHBondContact O-CA 3.21Å; I330-T367 PolarHBondContact N-O 3.09Å; I330-T367 PolarHBondContact O-N 2.33Å; I330-T367 PolarHBondContact O-OG1 3.23Å; I330-L369 HydrophobicContact CD1-CD1 3.94Å; I330-L369 HydrophobicContact CD1-CG 3.92Å; I330-L369 HydrophobicContact CG1-CD1 3.84Å; I330-L369 HydrophobicContact CG1-CG 4.28Å |
| 331 | Y | 85.4 | Confident | 66.1 | Low | 41 Ų | 41 | 77.7 Ų | 77.7 | 16% | 0.161 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 126 | 0 | -55.6 | -89.6 | 0 | 0 | 0 | 109.3 | F294 I313 F329 G346 P347 I366 | F294-Y331 HydrophobicContact CD1-CE1 4.28Å; F294-Y331 HydrophobicContact CE1-CE1 4.17Å; I313-Y331 HydrophobicContact CB-CD1 4.4Å; I313-Y331 HydrophobicContact CB-CE1 4.13Å; I313-Y331 HydrophobicContact CD1-CD1 3.38Å; I313-Y331 HydrophobicContact CD1-CE1 3.92Å; I313-Y331 HydrophobicContact CD1-CG 4.27Å; I313-Y331 HydrophobicContact CG2-CD1 4.37Å; I313-Y331 HydrophobicContact CG2-CE1 3.76Å; F329-Y331 HydrophobicContact CB-CE1 4.37Å; F329-Y331 HydrophobicContact CB-CE2 4Å; Y331-G346 VanDerWaalsContact CB-O 3.28Å; Y331-G346 WeakPolarHBondContact CB-O 3.17Å; Y331-P347 HydrophobicContact CD2-CB 4.35Å; Y331-P347 HydrophobicContact CE2-CB 4.23Å; Y331-I366 HydrophobicContact CD1-CB 4.38Å; Y331-I366 HydrophobicContact CD1-CD1 4.42Å; Y331-I366 HydrophobicContact CD1-CG1 3.61Å; Y331-I366 HydrophobicContact CD1-CG2 4.13Å; Y331-I366 HydrophobicContact CE1-CB 4.49Å; Y331-I366 HydrophobicContact CE1-CD1 4.34Å; Y331-I366 HydrophobicContact CE1-CG1 3.88Å; Y331-I366 HydrophobicContact CE1-CG2 3.85Å | |
| 332 | Q | 85.6 | Confident | 67.5 | Low | 81 Ų | 81 | 80 Ų | 80 | 38% | 0.379 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 109.4 | 175.5 | -170.9 | 172.9 | 8.8 | 0 | 0 | 109.7 | P340 V364 R365 | Q332-P340 HydrophobicContact CG-CB 4.4Å; Q332-V364 CarbonylContact O-C 3.4Å; Q332-V364 VanDerWaalsContact O-CA 3.26Å; Q332-V364 WeakPolarHBondContact O-CA 3.16Å; Q332-R365 HydrophobicContact CB-CB 4.32Å; Q332-R365 PolarHBondContact N-O 2.07Å; Q332-R365 PolarHBondContact O-N 2.95Å |
| 333 | W | 89 | Confident | 69 | Low | 1 Ų | 1 | 80.5 Ų | 80.5 | 0% | 0.004 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 0 | 179.2 | -79.7 | 96 | 0 | 0 | 0 | 109.8 | I296 I313 P340 I341 G346 L349 S363 V364 T379 | I296-W333 HydrophobicContact CD1-CH2 3.94Å; I296-W333 HydrophobicContact CD1-CZ3 4.4Å; I296-W333 HydrophobicContact CG1-CH2 4.29Å; I296-W333 HydrophobicContact CG2-CH2 4.15Å; I313-W333 HydrophobicContact CD1-CZ2 3.92Å; I313-W333 HydrophobicContact CG1-CZ2 3.88Å; W333-P340 WeakPolarHBondContact O-CA 3.38Å; W333-I341 HydrophobicContact CB-CB 4.41Å; W333-I341 HydrophobicContact CB-CD1 4.04Å; W333-I341 PolarHBondContact O-N 3.49Å; W333-G346 PolarHBondContact NE1-O 3.41Å; W333-L349 HydrophobicContact CB-CD1 3.87Å; W333-L349 HydrophobicContact CD2-CB 3.57Å; W333-L349 HydrophobicContact CD2-CD1 3.6Å; W333-L349 HydrophobicContact CD2-CD2 4.23Å; W333-L349 HydrophobicContact CD2-CG 4.01Å; W333-L349 HydrophobicContact CE3-CB 3.86Å; W333-L349 HydrophobicContact CE3-CD1 3.63Å; W333-L349 HydrophobicContact CE3-CD2 3.62Å; W333-L349 HydrophobicContact CE3-CG 3.92Å; W333-L349 HydrophobicContact CG-CB 4.18Å; W333-L349 HydrophobicContact CG-CD1 3.73Å; W333-L349 HydrophobicContact CH2-CB 3.76Å; W333-L349 HydrophobicContact CH2-CD2 3.96Å; W333-L349 HydrophobicContact CH2-CG 4.44Å; W333-L349 HydrophobicContact CZ2-CB 3.49Å; W333-L349 VanDerWaalsContact CZ2-CB 3.49Å; W333-L349 HydrophobicContact CZ3-CB 3.94Å; W333-L349 HydrophobicContact CZ3-CD1 4.36Å; W333-L349 HydrophobicContact CZ3-CD2 3.46Å; W333-L349 VanDerWaalsContact CZ3-CD2 3.46Å; W333-L349 HydrophobicContact CZ3-CG 4.14Å; W333-S363 CarbonylContact C-O 3.28Å; W333-S363 WeakPolarHBondContact CA-O 3.34Å; W333-V364 HydrophobicContact CD2-CB 3.75Å; W333-V364 HydrophobicContact CD2-CG2 4.04Å; W333-V364 HydrophobicContact CE3-CB 3.77Å; W333-V364 HydrophobicContact CG-CB 4.3Å; W333-V364 HydrophobicContact CG-CG2 4.2Å; W333-V364 HydrophobicContact CH2-CB 4.19Å; W333-V364 HydrophobicContact CH2-CG1 4.32Å; W333-V364 HydrophobicContact CZ2-CB 4.19Å; W333-V364 HydrophobicContact CZ2-CG2 4.47Å; W333-V364 HydrophobicContact CZ3-CB 3.98Å; W333-V364 HydrophobicContact CZ3-CG1 4.39Å; W333-T379 HydrophobicContact CZ3-CG2 4.26Å |
| 334 | L | 88 | Confident | 70.5 | Confident | 12 Ų | 12 | 77.4 Ų | 77.4 | 6% | 0.063 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 133.1 | 0 | -56.9 | 161.6 | 0 | 0 | 0 | 110.4 | M338 N339 P340 Y362 S363 | L334-M338 HydrophobicContact CB-SD 4.29Å; L334-M338 HydrophobicContact CD1-CE 3.57Å; L334-M338 HydrophobicContact CD1-SD 3.98Å; L334-N339 CarbonylContact C-O 3.58Å; L334-N339 VanDerWaalsContact CA-O 3.24Å; L334-N339 WeakPolarHBondContact CA-O 3.22Å; L334-P340 HydrophobicContact CD2-CB 4.47Å; L334-Y362 WeakPolarHBondContact O-CA 3.08Å; L334-S363 WeakPolarHBondContact CA-O 3.42Å; L334-S363 PolarHBondContact N-O 3.08Å; L334-S363 PolarHBondContact O-N 1.86Å | |
| 335 | D | 85.1 | Confident | 71.5 | Confident | 38 Ų | 38 | 78.2 Ų | 78.2 | 20% | 0.203 | 39% | 0.392 | C | S | . | . | trans | -75.1 | -173.1 | -177.3 | 67.1 | 13.3 | 0 | 0 | 0 | 110.5 | E337 M338 N339 I341 Y362 | D335-E337 PolarHBondContact O-N 3.14Å; D335-E337 WeakPolarHBondContact OD1-CA 3.2Å; D335-E337 PolarHBondContact OD1-N 3.4Å; D335-M338 PolarHBondContact O-N 2.58Å; D335-M338 PolarHBondContact OD1-N 2.19Å; D335-N339 PolarHBondContact N-O 2.87Å; D335-N339 PolarHBondContact OD1-N 1.81Å; D335-N339 WeakPolarHBondContact OD2-CB 3.41Å; D335-I341 HydrophobicContact CB-CD1 4.15Å; D335-I341 HydrophobicContact CB-CG1 4.02Å; D335-Y362 HydrophobicContact CB-CE1 4.1Å | ||
| 336 | T | 78.4 | Confident | 73.2 | Confident | 45 Ų | 45 | 76.2 Ų | 76.2 | 28% | 0.276 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -9.4 | -171.5 | 53.4 | 0 | 0 | 0 | 0 | 110.2 | S357 G360 R361 Y362 | T336-S357 PolarHBondContact OG1-O 0.99Å; T336-G360 VanDerWaalsContact CG2-C 3.44Å; T336-G360 VanDerWaalsContact CG2-CA 3.45Å; T336-R361 WeakPolarHBondContact CA-O 3.29Å; T336-Y362 HydrophobicContact CG2-CD2 4.12Å; T336-Y362 HydrophobicContact CG2-CE2 3.72Å |
| 337 | E | 77.7 | Confident | 74.9 | Confident | 132 Ų | 132 | 66.8 Ų | 66.8 | 62% | 0.617 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | 0 | 176.4 | -68.5 | 161.4 | -176.7 | 0 | 0 | 110.7 | D335 N339 | D335-E337 PolarHBondContact O-N 3.14Å; D335-E337 WeakPolarHBondContact OD1-CA 3.2Å; D335-E337 PolarHBondContact OD1-N 3.4Å; E337-N339 VanDerWaalsContact C-N 3.28Å; E337-N339 PolarHBondContact O-N 3.25Å |
| 338 | M | 71.9 | Confident | 76.6 | Confident | 99 Ų | 99 | 66.2 Ų | 66.2 | 49% | 0.488 | 35% | 0.353 | S | S | . | . | S | Bend | 0 | 21.9 | 0 | -70 | -63.9 | -75 | 0 | 0 | 109.9 | L334 D335 | L334-M338 HydrophobicContact CB-SD 4.29Å; L334-M338 HydrophobicContact CD1-CE 3.57Å; L334-M338 HydrophobicContact CD1-SD 3.98Å; D335-M338 PolarHBondContact O-N 2.58Å; D335-M338 PolarHBondContact OD1-N 2.19Å | |
| 339 | N | 76.9 | Confident | 77.9 | Confident | 82 Ų | 82 | 62.5 Ų | 62.5 | 44% | 0.439 | 33% | 0.33 | S | S | . | . | trans | -89.2 | 0 | 170 | -63.9 | -40.5 | 0 | 0 | 0 | 111.4 | L334 D335 E337 | L334-N339 CarbonylContact C-O 3.58Å; L334-N339 VanDerWaalsContact CA-O 3.24Å; L334-N339 WeakPolarHBondContact CA-O 3.22Å; D335-N339 PolarHBondContact N-O 2.87Å; D335-N339 PolarHBondContact OD1-N 1.81Å; D335-N339 WeakPolarHBondContact OD2-CB 3.41Å; E337-N339 VanDerWaalsContact C-N 3.28Å; E337-N339 PolarHBondContact O-N 3.25Å | ||
| 340 | P | 77 | Confident | 78.3 | Confident | 68 Ų | 68 | 69.3 Ų | 69.3 | 44% | 0.442 | 36% | 0.355 | S | S | . | . | B | Isolated β-bridge | 0 | 130.7 | 0 | 2 | 0.7 | 0 | 0 | 0 | 111.7 | Q332 W333 L334 | Q332-P340 HydrophobicContact CG-CB 4.4Å; W333-P340 WeakPolarHBondContact O-CA 3.38Å; L334-P340 HydrophobicContact CD2-CB 4.47Å | |
| 341 | I | 79.4 | Confident | 78.6 | Confident | 30 Ų | 30 | 66.3 Ų | 66.3 | 15% | 0.154 | 34% | 0.34 | C | S | . | . | trans | -89.1 | 95.6 | -180 | -58.3 | 172.7 | 0 | 0 | 0 | 108.2 | W333 D335 D343 S344 L349 I351 Y362 | W333-I341 HydrophobicContact CB-CB 4.41Å; W333-I341 HydrophobicContact CB-CD1 4.04Å; W333-I341 PolarHBondContact O-N 3.49Å; D335-I341 HydrophobicContact CB-CD1 4.15Å; D335-I341 HydrophobicContact CB-CG1 4.02Å; I341-D343 PolarHBondContact O-N 3.29Å; I341-D343 VanDerWaalsContact O-N 3.13Å; I341-S344 PolarHBondContact O-N 3.22Å; I341-L349 HydrophobicContact CD1-CD1 3.68Å; I341-I351 HydrophobicContact CD1-CD1 3.84Å; I341-I351 HydrophobicContact CG2-CD1 4.09Å; I341-Y362 HydrophobicContact CD1-CD1 3.89Å; I341-Y362 HydrophobicContact CD1-CE1 3.96Å | ||
| 342 | L | 69.6 | Low | 78.5 | Confident | 138 Ų | 138 | 69.2 Ų | 69.2 | 72% | 0.723 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -17 | -166.2 | -80.6 | 151 | 0 | 0 | 0 | 110.7 | S344 | L342-S344 PolarHBondContact O-N 2.76Š|
| 343 | D | 64.5 | Low | 78.2 | Confident | 168 Ų | 168 | 65.4 Ų | 65.4 | 90% | 0.898 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 0 | -177.4 | -71.5 | -21.3 | 0 | 0 | 0 | 110.9 | I341 | I341-D343 PolarHBondContact O-N 3.29Å; I341-D343 VanDerWaalsContact O-N 3.13Å |
| 344 | S | 62.3 | Low | 77.5 | Confident | 8 Ų | 8 | 72.4 Ų | 72.4 | 6% | 0.056 | 37% | 0.372 | C | S | . | . | 0 | 0 | 0 | 157.1 | 0 | 0 | 0 | 0 | 109.4 | I341 L342 G346 D348 | I341-S344 PolarHBondContact O-N 3.22Å; L342-S344 PolarHBondContact O-N 2.76Å; S344-G346 VanDerWaalsContact C-N 3.34Å; S344-G346 PolarHBondContact O-N 3.15Å; S344-D348 PolarHBondContact OG-O 3.35Å | |||
| 345 | M | 59.2 | Low | 76.7 | Confident | 152 Ų | 152 | 73.7 Ų | 73.7 | 75% | 0.749 | 38% | 0.382 | S | S | * | . | 0 | 45.4 | 0 | -67.4 | -108.2 | -137.1 | 0 | 0 | 110 | |||||
| 346 | G | 76.9 | Confident | 75.7 | Confident | 23 Ų | 23 | 75.9 Ų | 75.9 | 24% | 0.237 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -152.1 | -173 | 176 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y331 W333 S344 D348 | Y331-G346 VanDerWaalsContact CB-O 3.28Å; Y331-G346 WeakPolarHBondContact CB-O 3.17Å; W333-G346 PolarHBondContact NE1-O 3.41Å; S344-G346 VanDerWaalsContact C-N 3.34Å; S344-G346 PolarHBondContact O-N 3.15Å; G346-D348 PolarHBondContact O-N 2.84Å; G346-D348 VanDerWaalsContact O-N 3.12Å |
| 347 | P | 83.9 | Confident | 75.3 | Confident | 46 Ų | 46 | 77 Ų | 77 | 30% | 0.299 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -69.8 | 0 | -174.7 | 21.4 | -27.3 | 0 | 0 | 0 | 112.1 | R312 I313 Y331 | R312-P347 CarbonylContact C-O 3.53Å; R312-P347 WeakPolarHBondContact CA-O 3.09Å; R312-P347 HydrophobicContact CG-CB 4.38Å; I313-P347 HydrophobicContact CB-CB 4.11Å; I313-P347 WeakPolarHBondContact CG1-O 3.22Å; I313-P347 PolarHBondContact N-O 3.12Å; Y331-P347 HydrophobicContact CD2-CB 4.35Å; Y331-P347 HydrophobicContact CE2-CB 4.23Å |
| 348 | D | 84.1 | Confident | 75.2 | Confident | 30 Ų | 30 | 72.3 Ų | 72.3 | 16% | 0.16 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 134 | 0 | -74.9 | -34.3 | 0 | 0 | 0 | 109.9 | H310 R311 R312 S344 G346 | H310-D348 IonicContact NE2-OD1 3.82Å; R311-D348 CarbonylContact O-C 3.6Å; R311-D348 WeakPolarHBondContact O-CA 2.94Å; R312-D348 WeakPolarHBondContact CA-OD1 3.18Å; R312-D348 WeakPolarHBondContact CB-OD1 3.3Å; R312-D348 WeakPolarHBondContact CD-OD1 2.39Å; R312-D348 WeakPolarHBondContact CG-OD1 2.83Å; R312-D348 IonicContact CZ-OD1 2.67Å; R312-D348 IonicContact CZ-OD2 3.52Å; R312-D348 IonicContact NE-OD1 3.01Å; R312-D348 PolarHBondContact NE-OD1 2.57Å; R312-D348 IonicContact NE-OD2 3.95Å; R312-D348 PolarHBondContact NE-OD2 3.12Å; R312-D348 IonicContact NH2-OD1 3.68Å; R312-D348 IonicContact NH2-OD2 3.06Å; R312-D348 PolarHBondContact NH2-OD2 3.49Å; S344-D348 PolarHBondContact OG-O 3.35Å; G346-D348 PolarHBondContact O-N 2.84Å; G346-D348 VanDerWaalsContact O-N 3.12Å | |
| 349 | L | 87.7 | Confident | 75.2 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 0 | 168.9 | 176.1 | 74 | 0 | 0 | 0 | 110.6 | H310 R311 W333 I341 I351 Y362 | H310-L349 WeakPolarHBondContact CA-O 3.41Å; R311-L349 HydrophobicContact CB-CB 4.25Å; R311-L349 PolarHBondContact N-O 2.98Å; R311-L349 PolarHBondContact O-N 3.49Å; W333-L349 HydrophobicContact CB-CD1 3.87Å; W333-L349 HydrophobicContact CD2-CB 3.57Å; W333-L349 HydrophobicContact CD2-CD1 3.6Å; W333-L349 HydrophobicContact CD2-CD2 4.23Å; W333-L349 HydrophobicContact CD2-CG 4.01Å; W333-L349 HydrophobicContact CE3-CB 3.86Å; W333-L349 HydrophobicContact CE3-CD1 3.63Å; W333-L349 HydrophobicContact CE3-CD2 3.62Å; W333-L349 HydrophobicContact CE3-CG 3.92Å; W333-L349 HydrophobicContact CG-CB 4.18Å; W333-L349 HydrophobicContact CG-CD1 3.73Å; W333-L349 HydrophobicContact CH2-CB 3.76Å; W333-L349 HydrophobicContact CH2-CD2 3.96Å; W333-L349 HydrophobicContact CH2-CG 4.44Å; W333-L349 HydrophobicContact CZ2-CB 3.49Å; W333-L349 VanDerWaalsContact CZ2-CB 3.49Å; W333-L349 HydrophobicContact CZ3-CB 3.94Å; W333-L349 HydrophobicContact CZ3-CD1 4.36Å; W333-L349 HydrophobicContact CZ3-CD2 3.46Å; W333-L349 VanDerWaalsContact CZ3-CD2 3.46Å; W333-L349 HydrophobicContact CZ3-CG 4.14Å; I341-L349 HydrophobicContact CD1-CD1 3.68Å; L349-I351 HydrophobicContact CD1-CD1 4.19Å; L349-I351 HydrophobicContact CD1-CG1 3.71Å; L349-I351 HydrophobicContact CD2-CG1 4.5Å; L349-I351 HydrophobicContact CG-CG1 3.93Å; L349-Y362 HydrophobicContact CD1-CD1 4.43Å; L349-Y362 HydrophobicContact CD2-CD1 4.32Å; L349-Y362 HydrophobicContact CD2-CG 4.23Å |
| 350 | R | 84.5 | Confident | 75.4 | Confident | 174 Ų | 174 | 66.1 Ų | 66.1 | 66% | 0.657 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | 0 | 113.4 | 0 | -69.2 | -177.9 | -176.4 | 179.4 | -1.6 | 109.6 | |||
| 351 | I | 83.5 | Confident | 75.7 | Confident | 25 Ų | 25 | 68.6 Ų | 68.6 | 13% | 0.128 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 132.9 | -177.7 | -64.3 | -69.8 | 0 | 0 | 0 | 108 | F308 T309 I341 L349 F353 Y362 | F308-I351 CarbonylContact C-O 3.39Å; F308-I351 VanDerWaalsContact CA-O 3.25Å; F308-I351 WeakPolarHBondContact CA-O 3.49Å; T309-I351 HydrophobicContact CG2-CB 4.07Å; T309-I351 PolarHBondContact N-O 1.9Å; T309-I351 PolarHBondContact O-N 3.06Å; T309-I351 VanDerWaalsContact O-N 3.08Å; I341-I351 HydrophobicContact CD1-CD1 3.84Å; I341-I351 HydrophobicContact CG2-CD1 4.09Å; L349-I351 HydrophobicContact CD1-CD1 4.19Å; L349-I351 HydrophobicContact CD1-CG1 3.71Å; L349-I351 HydrophobicContact CD2-CG1 4.5Å; L349-I351 HydrophobicContact CG-CG1 3.93Å; I351-F353 HydrophobicContact CG2-CD1 4.13Å; I351-F353 HydrophobicContact CG2-CE1 4.1Å; I351-Y362 HydrophobicContact CD1-CE1 4.23Å; I351-Y362 HydrophobicContact CG1-CE1 4.02Å |
| 352 | N | 82.2 | Confident | 76 | Confident | 102 Ų | 102 | 67.4 Ų | 67.4 | 55% | 0.545 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 0 | 168.9 | -67.4 | -31.4 | 0 | 0 | 0 | 110.6 | G307 F308 H354 | G307-N352 WeakPolarHBondContact O-CA 3.19Å; F308-N352 WeakPolarHBondContact CB-OD1 3.27Å; N352-H354 PolarHBondContact O-N 3.48Å |
| 353 | F | 80.6 | Confident | 76.8 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 0% | 0.004 | 32% | 0.322 | C | S | . | . | 0 | 104.6 | 0 | -55.6 | -54.7 | 0 | 0 | 0 | 110.4 | D302 L303 G306 G307 T309 I351 D358 F359 I381 | D302-F353 WeakPolarHBondContact O-CD2 3.05Å; L303-F353 HydrophobicContact CD2-CE2 3.95Å; L303-F353 HydrophobicContact CD2-CZ 4.23Å; G306-F353 WeakPolarHBondContact CA-O 3.49Å; G306-F353 PolarHBondContact N-O 3.11Å; G307-F353 PolarHBondContact O-N 3.25Å; T309-F353 VanDerWaalsContact CB-CZ 3.44Å; T309-F353 HydrophobicContact CG2-CE1 3.91Å; T309-F353 HydrophobicContact CG2-CE2 4.27Å; T309-F353 HydrophobicContact CG2-CZ 3.37Å; I351-F353 HydrophobicContact CG2-CD1 4.13Å; I351-F353 HydrophobicContact CG2-CE1 4.1Å; F353-D358 HydrophobicContact CB-CB 4.47Å; F353-D358 HydrophobicContact CD1-CB 3.96Å; F353-F359 HydrophobicContact CB-CE1 4.43Å; F353-F359 HydrophobicContact CB-CE2 3.99Å; F353-F359 HydrophobicContact CB-CZ 3.7Å; F353-F359 HydrophobicContact CD1-CE1 4.36Å; F353-F359 HydrophobicContact CD1-CZ 4.39Å; F353-F359 HydrophobicContact CD2-CE1 4.09Å; F353-F359 HydrophobicContact CD2-CZ 4.09Å; F353-F359 HydrophobicContact CE2-CE1 4.44Å; F353-F359 HydrophobicContact CG-CE1 4.05Å; F353-F359 HydrophobicContact CG-CE2 4.4Å; F353-F359 AromaticContact CG-CZ 3.82Å; F353-F359 HydrophobicContact CG-CZ 3.82Å; F353-I381 HydrophobicContact CE1-CD1 3.88Å; F353-I381 HydrophobicContact CE1-CG2 3.65Å; F353-I381 HydrophobicContact CE2-CG2 4.14Å; F353-I381 HydrophobicContact CZ-CB 4.45Å; F353-I381 HydrophobicContact CZ-CD1 3.9Å; F353-I381 HydrophobicContact CZ-CG2 3.33Å | |||
| 354 | H | 73.5 | Confident | 77.8 | Confident | 148 Ų | 148 | 53.1 Ų | 53.1 | 69% | 0.685 | 28% | 0.279 | S | S | * | . | trans | -97.7 | -25.1 | -177.6 | -65.5 | -59.6 | 0 | 0 | 0 | 110.9 | I305 N352 D358 | I305-H354 WeakPolarHBondContact CG2-O 3.35Å; N352-H354 PolarHBondContact O-N 3.48Å; H354-D358 PolarHBondContact N-OD2 3.38Å | ||
| 355 | S | 72.5 | Confident | 78.8 | Confident | 38 Ų | 38 | 56.8 Ų | 56.8 | 27% | 0.266 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -146.8 | 152.9 | -177.6 | 76.5 | 0 | 0 | 0 | 0 | 110 | S357 D358 | S355-S357 PolarHBondContact O-N 3.44Å; S355-S357 PolarHBondContact OG-N 2.64Å; S355-S357 PolarHBondContact OG-OG 3.17Å; S355-D358 PolarHBondContact N-OD2 2.48Å; S355-D358 WeakPolarHBondContact O-CB 3.26Å; S355-D358 PolarHBondContact O-N 2.73Å |
| 356 | P | 63.2 | Low | 79.9 | Confident | 84 Ų | 84 | 49.6 Ų | 49.6 | 55% | 0.545 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -51.8 | -22.5 | 178.6 | -18.3 | 22.9 | 0 | 0 | 0 | 111.7 | I305 D358 F359 | I305-P356 HydrophobicContact CD1-CG 3.78Å; P356-D358 PolarHBondContact O-N 2.55Å; P356-F359 VanDerWaalsContact CA-CD2 3.5Å; P356-F359 WeakPolarHBondContact O-CB 2.82Å; P356-F359 WeakPolarHBondContact O-CD2 3.42Å; P356-F359 PolarHBondContact O-N 2.77Å; P356-F359 VanDerWaalsContact O-N 3.08Å |
| 357 | S | 70.8 | Confident | 79.7 | Confident | 68 Ų | 68 | 50.1 Ų | 50.1 | 48% | 0.476 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -71.2 | 0 | 179.2 | 61.1 | 0 | 0 | 0 | 0 | 111.3 | T336 S355 F359 | T336-S357 PolarHBondContact OG1-O 0.99Å; S355-S357 PolarHBondContact O-N 3.44Å; S355-S357 PolarHBondContact OG-N 2.64Å; S355-S357 PolarHBondContact OG-OG 3.17Å; S357-F359 PolarHBondContact O-N 3.31Å |
| 358 | D | 74.7 | Confident | 79 | Confident | 35 Ų | 35 | 48.2 Ų | 48.2 | 19% | 0.187 | 24% | 0.244 | C | C | . | . | G | 310 helix | 0 | -9.6 | 0 | -69.9 | -24.9 | 0 | 0 | 0 | 111.3 | F353 H354 S355 P356 Y362 | F353-D358 HydrophobicContact CB-CB 4.47Å; F353-D358 HydrophobicContact CD1-CB 3.96Å; H354-D358 PolarHBondContact N-OD2 3.38Å; S355-D358 PolarHBondContact N-OD2 2.48Å; S355-D358 WeakPolarHBondContact O-CB 3.26Å; S355-D358 PolarHBondContact O-N 2.73Å; P356-D358 PolarHBondContact O-N 2.55Å; D358-Y362 WeakPolarHBondContact O-CE2 2.59Å; D358-Y362 VanDerWaalsContact O-CZ 3.28Å; D358-Y362 PolarHBondContact O-OH 3.42Å | |
| 359 | F | 72.5 | Confident | 77.9 | Confident | 27 Ų | 27 | 51.9 Ų | 51.9 | 12% | 0.118 | 26% | 0.263 | C | S | . | . | trans | -96.1 | 125.3 | -179.8 | -64.2 | -90.7 | 0 | 0 | 0 | 109.3 | I305 F353 P356 S357 I381 L383 | I305-F359 HydrophobicContact CG1-CE2 3.84Å; I305-F359 HydrophobicContact CG1-CZ 4.34Å; F353-F359 HydrophobicContact CB-CE1 4.43Å; F353-F359 HydrophobicContact CB-CE2 3.99Å; F353-F359 HydrophobicContact CB-CZ 3.7Å; F353-F359 HydrophobicContact CD1-CE1 4.36Å; F353-F359 HydrophobicContact CD1-CZ 4.39Å; F353-F359 HydrophobicContact CD2-CE1 4.09Å; F353-F359 HydrophobicContact CD2-CZ 4.09Å; F353-F359 HydrophobicContact CE2-CE1 4.44Å; F353-F359 HydrophobicContact CG-CE1 4.05Å; F353-F359 HydrophobicContact CG-CE2 4.4Å; F353-F359 AromaticContact CG-CZ 3.82Å; F353-F359 HydrophobicContact CG-CZ 3.82Å; P356-F359 VanDerWaalsContact CA-CD2 3.5Å; P356-F359 WeakPolarHBondContact O-CB 2.82Å; P356-F359 WeakPolarHBondContact O-CD2 3.42Å; P356-F359 PolarHBondContact O-N 2.77Å; P356-F359 VanDerWaalsContact O-N 3.08Å; S357-F359 PolarHBondContact O-N 3.31Å; F359-I381 CarbonylContact C-O 3.52Å; F359-I381 WeakPolarHBondContact CA-O 3.43Å; F359-I381 HydrophobicContact CD1-CG2 3.91Å; F359-I381 HydrophobicContact CE1-CG2 4.34Å; F359-L383 HydrophobicContact CB-CB 4.42Å; F359-L383 VanDerWaalsContact CD1-CA 3.46Å; F359-L383 HydrophobicContact CD1-CB 3.76Å; F359-L383 HydrophobicContact CD1-CD1 3.69Å; F359-L383 HydrophobicContact CD1-CG 4.3Å; F359-L383 VanDerWaalsContact CD1-N 3.33Å; F359-L383 HydrophobicContact CD2-CB 4.24Å; F359-L383 HydrophobicContact CD2-CD1 3.1Å; F359-L383 HydrophobicContact CD2-CG 4.29Å; F359-L383 HydrophobicContact CE1-CB 4Å; F359-L383 HydrophobicContact CE1-CD1 3.3Å; F359-L383 HydrophobicContact CE1-CG 4.08Å; F359-L383 HydrophobicContact CE2-CB 4.45Å; F359-L383 HydrophobicContact CE2-CD1 2.63Å; F359-L383 HydrophobicContact CE2-CG 4.07Å; F359-L383 HydrophobicContact CG-CB 3.89Å; F359-L383 HydrophobicContact CG-CD1 3.6Å; F359-L383 HydrophobicContact CG-CG 4.4Å; F359-L383 HydrophobicContact CZ-CB 4.34Å; F359-L383 HydrophobicContact CZ-CD1 2.75Å; F359-L383 HydrophobicContact CZ-CG 3.95Å | ||
| 360 | G | 80.9 | Confident | 75.9 | Confident | 23 Ų | 23 | 57.7 Ų | 57.7 | 24% | 0.237 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.8 | -164.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | T336 Y362 I381 | T336-G360 VanDerWaalsContact CG2-C 3.44Å; T336-G360 VanDerWaalsContact CG2-CA 3.45Å; G360-Y362 PolarHBondContact O-N 2.84Å; G360-I381 PolarHBondContact N-O 3.43Å; G360-I381 PolarHBondContact O-N 2.41Å |
| 361 | R | 84 | Confident | 74.3 | Confident | 121 Ų | 121 | 52.9 Ų | 52.9 | 46% | 0.457 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 113 | -171 | -178.3 | -178.3 | -170.9 | -151.6 | -0.1 | 110 | T336 S378 Y380 | T336-R361 WeakPolarHBondContact CA-O 3.29Å; R361-S378 PolarHBondContact NE-OG 3.32Å; R361-S378 PolarHBondContact NH2-OG 2.8Å; R361-Y380 HydrophobicContact CB-CD1 3.83Å; R361-Y380 HydrophobicContact CB-CE1 3.49Å; R361-Y380 VanDerWaalsContact CB-CE1 3.49Å; R361-Y380 WeakPolarHBondContact CD-OH 3Å; R361-Y380 HydrophobicContact CG-CD1 4.26Å; R361-Y380 HydrophobicContact CG-CE1 3.74Å; R361-Y380 HydrophobicContact CG-CE2 4.4Å |
| 362 | Y | 85.8 | Confident | 72.7 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 2% | 0.02 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 130.5 | 168.6 | -73.5 | -95.3 | 0 | 0 | 0 | 110.3 | L334 D335 T336 I341 L349 I351 D358 G360 S378 T379 I381 | L334-Y362 WeakPolarHBondContact O-CA 3.08Å; D335-Y362 HydrophobicContact CB-CE1 4.1Å; T336-Y362 HydrophobicContact CG2-CD2 4.12Å; T336-Y362 HydrophobicContact CG2-CE2 3.72Å; I341-Y362 HydrophobicContact CD1-CD1 3.89Å; I341-Y362 HydrophobicContact CD1-CE1 3.96Å; L349-Y362 HydrophobicContact CD1-CD1 4.43Å; L349-Y362 HydrophobicContact CD2-CD1 4.32Å; L349-Y362 HydrophobicContact CD2-CG 4.23Å; I351-Y362 HydrophobicContact CD1-CE1 4.23Å; I351-Y362 HydrophobicContact CG1-CE1 4.02Å; D358-Y362 WeakPolarHBondContact O-CE2 2.59Å; D358-Y362 VanDerWaalsContact O-CZ 3.28Å; D358-Y362 PolarHBondContact O-OH 3.42Å; G360-Y362 PolarHBondContact O-N 2.84Å; Y362-S378 CarbonylContact O-C 3.38Å; Y362-S378 WeakPolarHBondContact O-CA 3.46Å; Y362-T379 PolarHBondContact N-O 2.54Å; Y362-T379 PolarHBondContact O-N 3.37Å; Y362-I381 HydrophobicContact CD2-CD1 3.5Å; Y362-I381 VanDerWaalsContact CD2-CD1 3.5Å; Y362-I381 HydrophobicContact CD2-CG1 4.08Å; Y362-I381 HydrophobicContact CE2-CB 4.49Å; Y362-I381 HydrophobicContact CE2-CD1 3.58Å; Y362-I381 HydrophobicContact CE2-CG1 4.37Å; Y362-I381 HydrophobicContact CG-CD1 4.36Å |
| 363 | S | 84.8 | Confident | 71.5 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 4% | 0.035 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 147.7 | -177.2 | -61.1 | 0 | 0 | 0 | 0 | 110.2 | W333 L334 L377 | W333-S363 CarbonylContact C-O 3.28Å; W333-S363 WeakPolarHBondContact CA-O 3.34Å; L334-S363 WeakPolarHBondContact CA-O 3.42Å; L334-S363 PolarHBondContact N-O 3.08Å; L334-S363 PolarHBondContact O-N 1.86Å; S363-L377 CarbonylContact C-O 3.45Å; S363-L377 VanDerWaalsContact C-O 3.31Å; S363-L377 WeakPolarHBondContact CA-O 3.37Å |
| 364 | V | 85.7 | Confident | 70.9 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 130.2 | 175.6 | 61.5 | 0 | 0 | 0 | 0 | 108.1 | I296 I313 Q332 W333 I366 D376 L377 | I296-V364 HydrophobicContact CD1-CG1 4.36Å; I313-V364 HydrophobicContact CD1-CB 3.99Å; I313-V364 HydrophobicContact CD1-CG1 3.63Å; I313-V364 HydrophobicContact CD1-CG2 3.41Å; I313-V364 VanDerWaalsContact CD1-CG2 3.41Å; I313-V364 HydrophobicContact CG1-CG1 4.5Å; Q332-V364 CarbonylContact O-C 3.4Å; Q332-V364 VanDerWaalsContact O-CA 3.26Å; Q332-V364 WeakPolarHBondContact O-CA 3.16Å; W333-V364 HydrophobicContact CD2-CB 3.75Å; W333-V364 HydrophobicContact CD2-CG2 4.04Å; W333-V364 HydrophobicContact CE3-CB 3.77Å; W333-V364 HydrophobicContact CG-CB 4.3Å; W333-V364 HydrophobicContact CG-CG2 4.2Å; W333-V364 HydrophobicContact CH2-CB 4.19Å; W333-V364 HydrophobicContact CH2-CG1 4.32Å; W333-V364 HydrophobicContact CZ2-CB 4.19Å; W333-V364 HydrophobicContact CZ2-CG2 4.47Å; W333-V364 HydrophobicContact CZ3-CB 3.98Å; W333-V364 HydrophobicContact CZ3-CG1 4.39Å; V364-I366 HydrophobicContact CG2-CG1 4.39Å; V364-D376 CarbonylContact O-C 3.21Å; V364-D376 VanDerWaalsContact O-C 3.31Å; V364-D376 WeakPolarHBondContact O-CA 3.19Å; V364-L377 HydrophobicContact CG1-CB 3.5Å; V364-L377 HydrophobicContact CG1-CD1 4.2Å; V364-L377 HydrophobicContact CG1-CG 4.39Å; V364-L377 WeakPolarHBondContact CG1-O 3.2Å; V364-L377 PolarHBondContact N-O 0.56Å; V364-L377 PolarHBondContact O-N 2.53Å |
| 365 | R | 84.7 | Confident | 70.5 | Confident | 86 Ų | 86 | 55.4 Ų | 55.4 | 33% | 0.325 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 0 | 174.6 | -179.1 | 167.8 | -65.5 | 175.8 | -0.4 | 110.5 | Q332 Q374 R375 D376 | Q332-R365 HydrophobicContact CB-CB 4.32Å; Q332-R365 PolarHBondContact N-O 2.07Å; Q332-R365 PolarHBondContact O-N 2.95Å; R365-Q374 HydrophobicContact CG-CG 3.87Å; R365-R375 CarbonylContact C-O 3.54Å; R365-R375 WeakPolarHBondContact CA-O 3.41Å; R365-D376 WeakPolarHBondContact CA-OD1 3.18Å; R365-D376 WeakPolarHBondContact CB-OD1 3.41Å; R365-D376 WeakPolarHBondContact CG-OD1 3.32Å; R365-D376 IonicContact NE-OD1 3.52Å; R365-D376 PolarHBondContact NE-OD1 2.23Å; R365-D376 IonicContact NE-OD2 3.38Å; R365-D376 IonicContact NH2-OD2 3.65Å |
| 366 | I | 80.8 | Confident | 70.9 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 121 | 0 | -55.9 | 156.9 | 0 | 0 | 0 | 108 | F294 I313 F329 I330 Y331 V364 Y373 Q374 R375 L377 | F294-I366 HydrophobicContact CB-CD1 3.9Å; F294-I366 HydrophobicContact CD1-CD1 4.14Å; F294-I366 HydrophobicContact CD2-CD1 4.14Å; F294-I366 HydrophobicContact CE1-CG2 4.24Å; F294-I366 HydrophobicContact CE2-CG2 4.3Å; F294-I366 HydrophobicContact CG-CD1 3.81Å; F294-I366 HydrophobicContact CZ-CG2 4.03Å; I313-I366 HydrophobicContact CD1-CD1 4.36Å; I313-I366 HydrophobicContact CD1-CG1 4.36Å; I313-I366 HydrophobicContact CG2-CD1 4.39Å; F329-I366 HydrophobicContact CB-CG2 3.82Å; F329-I366 HydrophobicContact CD1-CG2 3.75Å; F329-I366 HydrophobicContact CG-CG2 4.08Å; I330-I366 CarbonylContact O-C 3.39Å; I330-I366 WeakPolarHBondContact O-CA 3.21Å; Y331-I366 HydrophobicContact CD1-CB 4.38Å; Y331-I366 HydrophobicContact CD1-CD1 4.42Å; Y331-I366 HydrophobicContact CD1-CG1 3.61Å; Y331-I366 HydrophobicContact CD1-CG2 4.13Å; Y331-I366 HydrophobicContact CE1-CB 4.49Å; Y331-I366 HydrophobicContact CE1-CD1 4.34Å; Y331-I366 HydrophobicContact CE1-CG1 3.88Å; Y331-I366 HydrophobicContact CE1-CG2 3.85Å; V364-I366 HydrophobicContact CG2-CG1 4.39Å; I366-Y373 HydrophobicContact CG2-CE1 4.28Å; I366-Q374 CarbonylContact O-C 3.56Å; I366-Q374 VanDerWaalsContact O-C 3.24Å; I366-Q374 WeakPolarHBondContact O-CA 3.49Å; I366-R375 WeakPolarHBondContact CA-O 3.41Å; I366-R375 WeakPolarHBondContact CB-O 3.26Å; I366-R375 PolarHBondContact N-O 2.82Å; I366-R375 PolarHBondContact O-N 2.77Å; I366-L377 HydrophobicContact CD1-CD1 3.15Å; I366-L377 HydrophobicContact CD1-CG 4.13Å; I366-L377 HydrophobicContact CG1-CD1 4.5Å | |
| 367 | T | 73.4 | Confident | 71.6 | Confident | 34 Ų | 34 | 54.3 Ų | 54.3 | 21% | 0.209 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 128.7 | -179.8 | 4.5 | 0 | 0 | 0 | 0 | 109.7 | F329 I330 Y373 Q374 | F329-T367 CarbonylContact C-O 3.58Å; F329-T367 VanDerWaalsContact CA-O 3.29Å; F329-T367 WeakPolarHBondContact CA-O 3.28Å; I330-T367 PolarHBondContact N-O 3.09Å; I330-T367 PolarHBondContact O-N 2.33Å; I330-T367 PolarHBondContact O-OG1 3.23Å; T367-Y373 CarbonylContact C-O 3.56Å; T367-Y373 WeakPolarHBondContact CA-O 2.42Å; T367-Q374 HydrophobicContact CG2-CB 3.71Å; T367-Q374 HydrophobicContact CG2-CG 3.58Å |
| 368 | G | 69.7 | Low | 72 | Confident | 6 Ų | 6 | 53.1 Ų | 53.1 | 6% | 0.062 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 130.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110 | G372 Y373 | G368-G372 PolarHBondContact O-N 3.42Å; G368-Y373 PolarHBondContact N-O 3.2Å |
| 369 | L | 59.8 | Low | 72 | Confident | 108 Ų | 108 | 52.3 Ų | 52.3 | 57% | 0.565 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | 0 | -173 | -109.3 | 140 | 0 | 0 | 0 | 111.1 | E327 T328 I330 | E327-L369 PolarHBondContact OE1-N 3.49Å; E327-L369 VanDerWaalsContact OE1-N 3.08Å; T328-L369 PolarHBondContact O-N 2.95Å; I330-L369 HydrophobicContact CD1-CD1 3.94Å; I330-L369 HydrophobicContact CD1-CG 3.92Å; I330-L369 HydrophobicContact CG1-CD1 3.84Å; I330-L369 HydrophobicContact CG1-CG 4.28Å |
| 370 | N | 47.3 | Very low | 72.3 | Confident | 121 Ų | 121 | 58 Ų | 58 | 65% | 0.647 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -64.2 | -32.8 | 0 | 0 | 0 | 111.2 | E327 | E327-N370 VanDerWaalsContact OE1-CA 3.32Å; E327-N370 WeakPolarHBondContact OE1-CA 3.33Å; E327-N370 WeakPolarHBondContact OE1-CB 3.25Å; E327-N370 PolarHBondContact OE1-N 2.77Å; E327-N370 VanDerWaalsContact OE2-CB 3.28Å; E327-N370 WeakPolarHBondContact OE2-CB 3.17Å | |
| 371 | S | 50 | Low | 72.2 | Confident | 74 Ų | 74 | 57 Ų | 57 | 52% | 0.517 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 62.3 | 0 | 0 | 0 | 0 | 109.8 | E327 Y373 | E327-S371 PolarHBondContact OE1-N 2.98Å; S371-Y373 PolarHBondContact O-N 3.48Å; S371-Y373 WeakPolarHBondContact OG-CB 3.46Å; S371-Y373 PolarHBondContact OG-N 3.47Å | |
| 372 | G | 49.3 | Very low | 71.4 | Confident | 67 Ų | 67 | 56 Ų | 56 | 69% | 0.691 | 30% | 0.3 | S | S | * | . | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 112.1 | G368 Q374 | G368-G372 PolarHBondContact O-N 3.42Å; G372-Q374 PolarHBondContact O-N 3.01Å | |||
| 373 | Y | 58.3 | Low | 70.3 | Confident | 59 Ų | 59 | 58.6 Ų | 58.6 | 23% | 0.231 | 31% | 0.314 | C | S | . | . | 0 | 122.1 | 0 | 175.2 | -97.3 | 0 | 0 | 0 | 110.2 | F294 F329 I366 T367 G368 S371 R375 | F294-Y373 HydrophobicContact CD2-CE1 4.27Å; F294-Y373 AromaticContact CE2-CE1 3.56Å; F294-Y373 HydrophobicContact CE2-CE1 3.56Å; F294-Y373 AromaticContact CE2-CZ 3.9Å; F294-Y373 HydrophobicContact CZ-CE1 4.35Å; F329-Y373 AromaticContact CD1-CD1 3.92Å; F329-Y373 HydrophobicContact CD1-CD1 3.92Å; F329-Y373 HydrophobicContact CD1-CE1 4.31Å; F329-Y373 AromaticContact CE1-CD1 3.52Å; F329-Y373 HydrophobicContact CE1-CD1 3.52Å; F329-Y373 AromaticContact CE1-CE1 3.91Å; F329-Y373 HydrophobicContact CE1-CE1 3.91Å; F329-Y373 HydrophobicContact CE1-CG 4.28Å; I366-Y373 HydrophobicContact CG2-CE1 4.28Å; T367-Y373 CarbonylContact C-O 3.56Å; T367-Y373 WeakPolarHBondContact CA-O 2.42Å; G368-Y373 PolarHBondContact N-O 3.2Å; S371-Y373 PolarHBondContact O-N 3.48Å; S371-Y373 WeakPolarHBondContact OG-CB 3.46Å; S371-Y373 PolarHBondContact OG-N 3.47Å; Y373-R375 HydrophobicContact CE1-CB 3.96Å; Y373-R375 WeakPolarHBondContact OH-CD 3.05Å | |||
| 374 | Q | 67.2 | Low | 68.6 | Low | 113 Ų | 113 | 63 Ų | 63 | 53% | 0.528 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 127.7 | 175.9 | -172.1 | 176.4 | -54 | 0 | 0 | 109.6 | R365 I366 T367 G372 | R365-Q374 HydrophobicContact CG-CG 3.87Å; I366-Q374 CarbonylContact O-C 3.56Å; I366-Q374 VanDerWaalsContact O-C 3.24Å; I366-Q374 WeakPolarHBondContact O-CA 3.49Å; T367-Q374 HydrophobicContact CG2-CB 3.71Å; T367-Q374 HydrophobicContact CG2-CG 3.58Å; G372-Q374 PolarHBondContact O-N 3.01Å |
| 375 | R | 66.2 | Low | 66.8 | Low | 89 Ų | 89 | 65.8 Ų | 65.8 | 34% | 0.336 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 0 | 178.2 | -156.3 | -150.8 | -172.4 | -133.7 | 0.9 | 109.1 | R365 I366 Y373 | R365-R375 CarbonylContact C-O 3.54Å; R365-R375 WeakPolarHBondContact CA-O 3.41Å; I366-R375 WeakPolarHBondContact CA-O 3.41Å; I366-R375 WeakPolarHBondContact CB-O 3.26Å; I366-R375 PolarHBondContact N-O 2.82Å; I366-R375 PolarHBondContact O-N 2.77Å; Y373-R375 HydrophobicContact CE1-CB 3.96Å; Y373-R375 WeakPolarHBondContact OH-CD 3.05Å |
| 376 | D | 80.7 | Confident | 65 | Low | 77 Ų | 77 | 72.8 Ų | 72.8 | 41% | 0.412 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 125.2 | 0 | -69.4 | -17.2 | 0 | 0 | 0 | 110.2 | V364 R365 | V364-D376 CarbonylContact O-C 3.21Å; V364-D376 VanDerWaalsContact O-C 3.31Å; V364-D376 WeakPolarHBondContact O-CA 3.19Å; R365-D376 WeakPolarHBondContact CA-OD1 3.18Å; R365-D376 WeakPolarHBondContact CB-OD1 3.41Å; R365-D376 WeakPolarHBondContact CG-OD1 3.32Å; R365-D376 IonicContact NE-OD1 3.52Å; R365-D376 PolarHBondContact NE-OD1 2.23Å; R365-D376 IonicContact NE-OD2 3.38Å; R365-D376 IonicContact NH2-OD2 3.65Å | |
| 377 | L | 77.1 | Confident | 62.8 | Low | 22 Ų | 22 | 79.4 Ų | 79.4 | 12% | 0.115 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 140.2 | 173.8 | -64.8 | 150.7 | 0 | 0 | 0 | 109.5 | F294 I296 S363 V364 I366 | F294-L377 HydrophobicContact CB-CD1 3.53Å; I296-L377 HydrophobicContact CD1-CB 3.77Å; I296-L377 HydrophobicContact CG1-CB 4.26Å; S363-L377 CarbonylContact C-O 3.45Å; S363-L377 VanDerWaalsContact C-O 3.31Å; S363-L377 WeakPolarHBondContact CA-O 3.37Å; V364-L377 HydrophobicContact CG1-CB 3.5Å; V364-L377 HydrophobicContact CG1-CD1 4.2Å; V364-L377 HydrophobicContact CG1-CG 4.39Å; V364-L377 WeakPolarHBondContact CG1-O 3.2Å; V364-L377 PolarHBondContact N-O 0.56Å; V364-L377 PolarHBondContact O-N 2.53Å; I366-L377 HydrophobicContact CD1-CD1 3.15Å; I366-L377 HydrophobicContact CD1-CG 4.13Å; I366-L377 HydrophobicContact CG1-CD1 4.5Å |
| 378 | S | 79.5 | Confident | 60.8 | Low | 44 Ų | 44 | 81.1 Ų | 81.1 | 31% | 0.308 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 142.5 | 177.6 | 48 | 0 | 0 | 0 | 0 | 110.2 | R361 Y362 | R361-S378 PolarHBondContact NE-OG 3.32Å; R361-S378 PolarHBondContact NH2-OG 2.8Å; Y362-S378 CarbonylContact O-C 3.38Å; Y362-S378 WeakPolarHBondContact O-CA 3.46Å |
| 379 | T | 73.5 | Confident | 58.8 | Low | 17 Ų | 17 | 89.7 Ų | 89.7 | 10% | 0.104 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 140.5 | 172.4 | -174.1 | 0 | 0 | 0 | 0 | 109.6 | I296 R311 W333 Y362 | I296-T379 HydrophobicContact CD1-CG2 4.37Å; R311-T379 CovalentContact NH1-OG1 1.52Å; R311-T379 PolarHBondContact NH1-OG1 3.29Å; W333-T379 HydrophobicContact CZ3-CG2 4.26Å; Y362-T379 PolarHBondContact N-O 2.54Å; Y362-T379 PolarHBondContact O-N 3.37Å |
| 380 | Y | 78.8 | Confident | 57.4 | Low | 146 Ų | 146 | 92 Ų | 92 | 57% | 0.573 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 0 | -179 | -73.3 | -89.6 | 0 | 0 | 0 | 109.9 | R361 | R361-Y380 HydrophobicContact CB-CD1 3.83Å; R361-Y380 HydrophobicContact CB-CE1 3.49Å; R361-Y380 VanDerWaalsContact CB-CE1 3.49Å; R361-Y380 WeakPolarHBondContact CD-OH 3Å; R361-Y380 HydrophobicContact CG-CD1 4.26Å; R361-Y380 HydrophobicContact CG-CE1 3.74Å; R361-Y380 HydrophobicContact CG-CE2 4.4Å |
| 381 | I | 79.1 | Confident | 56.9 | Low | 2 Ų | 2 | 93.4 Ų | 93.4 | 1% | 0.01 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 109.1 | 0 | -60.4 | 172.7 | 0 | 0 | 0 | 108.3 | L303 T309 F353 F359 G360 Y362 | L303-I381 HydrophobicContact CD2-CG2 3.59Å; T309-I381 HydrophobicContact CG2-CD1 3.46Å; T309-I381 VanDerWaalsContact CG2-CD1 3.46Å; F353-I381 HydrophobicContact CE1-CD1 3.88Å; F353-I381 HydrophobicContact CE1-CG2 3.65Å; F353-I381 HydrophobicContact CE2-CG2 4.14Å; F353-I381 HydrophobicContact CZ-CB 4.45Å; F353-I381 HydrophobicContact CZ-CD1 3.9Å; F353-I381 HydrophobicContact CZ-CG2 3.33Å; F359-I381 CarbonylContact C-O 3.52Å; F359-I381 WeakPolarHBondContact CA-O 3.43Å; F359-I381 HydrophobicContact CD1-CG2 3.91Å; F359-I381 HydrophobicContact CE1-CG2 4.34Å; G360-I381 PolarHBondContact N-O 3.43Å; G360-I381 PolarHBondContact O-N 2.41Å; Y362-I381 HydrophobicContact CD2-CD1 3.5Å; Y362-I381 VanDerWaalsContact CD2-CD1 3.5Å; Y362-I381 HydrophobicContact CD2-CG1 4.08Å; Y362-I381 HydrophobicContact CE2-CB 4.49Å; Y362-I381 HydrophobicContact CE2-CD1 3.58Å; Y362-I381 HydrophobicContact CE2-CG1 4.37Å; Y362-I381 HydrophobicContact CG-CD1 4.36Å | |
| 382 | T | 67.4 | Low | 56.5 | Low | 100 Ų | 100 | 94.6 Ų | 94.6 | 61% | 0.613 | 52% | 0.518 | S | S | * | . | trans | -103.3 | 134.1 | -177.3 | 50.8 | 0 | 0 | 0 | 0 | 109.5 | D384 | T382-D384 PolarHBondContact O-N 2.84Å; T382-D384 VanDerWaalsContact O-N 3.17Å | ||
| 383 | L | 63.4 | Low | 56.5 | Low | 60 Ų | 60 | 98.2 Ų | 98.2 | 31% | 0.314 | 53% | 0.526 | S | S | . | . | trans | -60.6 | 112.6 | 176.8 | -162.2 | 95.8 | 0 | 0 | 0 | 110.7 | I305 F359 G385 | I305-L383 HydrophobicContact CD1-CD1 4.3Å; I305-L383 HydrophobicContact CG1-CD1 3.66Å; F359-L383 HydrophobicContact CB-CB 4.42Å; F359-L383 VanDerWaalsContact CD1-CA 3.46Å; F359-L383 HydrophobicContact CD1-CB 3.76Å; F359-L383 HydrophobicContact CD1-CD1 3.69Å; F359-L383 HydrophobicContact CD1-CG 4.3Å; F359-L383 VanDerWaalsContact CD1-N 3.33Å; F359-L383 HydrophobicContact CD2-CB 4.24Å; F359-L383 HydrophobicContact CD2-CD1 3.1Å; F359-L383 HydrophobicContact CD2-CG 4.29Å; F359-L383 HydrophobicContact CE1-CB 4Å; F359-L383 HydrophobicContact CE1-CD1 3.3Å; F359-L383 HydrophobicContact CE1-CG 4.08Å; F359-L383 HydrophobicContact CE2-CB 4.45Å; F359-L383 HydrophobicContact CE2-CD1 2.63Å; F359-L383 HydrophobicContact CE2-CG 4.07Å; F359-L383 HydrophobicContact CG-CB 3.89Å; F359-L383 HydrophobicContact CG-CD1 3.6Å; F359-L383 HydrophobicContact CG-CG 4.4Å; F359-L383 HydrophobicContact CZ-CB 4.34Å; F359-L383 HydrophobicContact CZ-CD1 2.75Å; F359-L383 HydrophobicContact CZ-CG 3.95Å; L383-G385 VanDerWaalsContact C-N 3.3Å; L383-G385 PolarHBondContact O-N 2.82Å | ||
| 384 | D | 48.9 | Very low | 57 | Low | 98 Ų | 98 | 99 Ų | 99 | 52% | 0.524 | 53% | 0.529 | S | S | . | . | trans | -52.1 | 0 | 178.7 | -140.5 | -1.7 | 0 | 0 | 0 | 110.6 | L303 T382 R386 | L303-D384 HydrophobicContact CB-CB 4.08Å; L303-D384 PolarHBondContact O-N 2.74Å; T382-D384 PolarHBondContact O-N 2.84Å; T382-D384 VanDerWaalsContact O-N 3.17Å; D384-R386 PolarHBondContact O-N 2.4Å | ||
| 385 | G | 48.3 | Very low | 57.5 | Low | 58 Ų | 58 | 96.7 Ų | 96.7 | 60% | 0.598 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 112.1 | L383 N387 | L383-G385 VanDerWaalsContact C-N 3.3Å; L383-G385 PolarHBondContact O-N 2.82Å; G385-N387 PolarHBondContact O-N 2.29Å | |
| 386 | R | 46.3 | Very low | 58.2 | Low | 234 Ų | 234 | 93 Ų | 93 | 88% | 0.883 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -84.3 | -175.1 | -168.7 | -163.1 | 0.2 | 110.2 | D384 | D384-R386 PolarHBondContact O-N 2.4Š| |
| 387 | N | 33.8 | Very low | 58.2 | Low | 138 Ų | 138 | 91.5 Ų | 91.5 | 74% | 0.738 | 51% | 0.507 | S | S | * | . | S | Bend | 0 | 0 | 0 | -82.2 | -12 | 0 | 0 | 0 | 110.2 | G385 | G385-N387 PolarHBondContact O-N 2.29Š| |
| 388 | G | 32.1 | Very low | 58.5 | Low | 70 Ų | 70 | 92 Ų | 92 | 72% | 0.722 | 51% | 0.509 | S | S | * | . | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 389 | E | 27.6 | Very low | 58.3 | Low | 187 Ų | 187 | 96.9 Ų | 96.9 | 87% | 0.874 | 52% | 0.521 | S | S | * | . | 0 | 0 | 0 | -90.9 | -175.3 | 175.9 | 0 | 0 | 110 | |||||
| 390 | V | 31.6 | Very low | 58 | Low | 157 Ų | 157 | 102 Ų | 102 | 95% | 0.952 | 54% | 0.543 | S | S | * | . | 0 | 0 | 0 | -179.9 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 391 | E | 35.4 | Very low | 57.1 | Low | 150 Ų | 150 | 99 Ų | 99 | 70% | 0.701 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | 0 | 0 | 0 | -83.4 | -167.3 | 174.7 | 0 | 0 | 110.2 | |||
| 392 | P | 43 | Very low | 55.8 | Low | 99 Ų | 99 | 100.3 Ų | 100.3 | 64% | 0.643 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | 0 | 0 | 0 | 12.7 | -7.6 | 0 | 0 | 0 | 111.8 | |||
| 393 | T | 49 | Very low | 55.3 | Low | 142 Ų | 142 | 98.3 Ų | 98.3 | 87% | 0.871 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | 0 | 0 | 0 | 31.3 | 0 | 0 | 0 | 0 | 110.3 | |||
| 394 | Y | 67.4 | Low | 55.1 | Low | 75 Ų | 75 | 99.6 Ų | 99.6 | 29% | 0.294 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | 0 | 0 | 0 | -66.8 | -84.9 | 0 | 0 | 0 | 109.6 | N421 L461 L467 | Y394-N421 HydrophobicContact CE1-CB 4.48Å; Y394-L461 HydrophobicContact CD1-CD1 4.13Å; Y394-L461 HydrophobicContact CD1-CD2 4.03Å; Y394-L461 HydrophobicContact CD2-CD1 3.27Å; Y394-L461 HydrophobicContact CD2-CD2 4.44Å; Y394-L461 HydrophobicContact CD2-CG 4.47Å; Y394-L461 HydrophobicContact CE1-CD2 4.14Å; Y394-L461 HydrophobicContact CE2-CD1 3.91Å; Y394-L461 HydrophobicContact CG-CD1 3.4Å; Y394-L461 HydrophobicContact CG-CD2 4.18Å; Y394-L461 HydrophobicContact CG-CG 4.43Å; Y394-L467 HydrophobicContact CG-CD1 4.43Å | |
| 395 | S | 77.5 | Confident | 55.7 | Low | 65 Ų | 65 | 95.8 Ų | 95.8 | 46% | 0.455 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | 59.2 | 0 | 0 | 0 | 0 | 110.5 | P417 R418 | S395-P417 CarbonylContact O-C 3.51Å; S395-P417 WeakPolarHBondContact O-CA 2.91Å; S395-R418 PolarHBondContact N-O 2.94Å; S395-R418 PolarHBondContact O-N 2.68Å; S395-R418 PolarHBondContact OG-O 2.79Å | |
| 396 | V | 81.5 | Confident | 56.7 | Low | 13 Ų | 13 | 99 Ų | 99 | 8% | 0.079 | 53% | 0.532 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 133 | 0 | 178.9 | 0 | 0 | 0 | 0 | 108.5 | C457 I459 L467 Q469 | V396-C457 HydrophobicContact CG1-CB 4.27Å; V396-I459 HydrophobicContact CB-CD1 4.42Å; V396-I459 HydrophobicContact CG1-CD1 3.99Å; V396-I459 HydrophobicContact CG2-CD1 4.04Å; V396-I459 HydrophobicContact CG2-CG1 4.45Å; V396-L467 HydrophobicContact CG2-CB 3.11Å; V396-L467 HydrophobicContact CG2-CD1 4.35Å; V396-L467 HydrophobicContact CG2-CG 4.31Å; V396-Q469 HydrophobicContact CB-CB 3.68Å; V396-Q469 HydrophobicContact CG1-CB 3.47Å; V396-Q469 VanDerWaalsContact CG1-CB 3.47Å; V396-Q469 PolarHBondContact O-OE1 3.24Å | |
| 397 | V | 82 | Confident | 57.5 | Low | 45 Ų | 45 | 91.8 Ų | 91.8 | 27% | 0.273 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 0 | 175.9 | 179.9 | 0 | 0 | 0 | 0 | 108.9 | R399 C415 S416 R418 | V397-R399 HydrophobicContact CG1-CG 4.3Å; V397-C415 WeakPolarHBondContact O-CA 3.31Å; V397-S416 PolarHBondContact N-O 2.82Å; V397-S416 PolarHBondContact O-N 0.45Å; V397-R418 HydrophobicContact CG2-CB 4.27Å |
| 398 | I | 83.2 | Confident | 58.6 | Low | 32 Ų | 32 | 90 Ų | 90 | 16% | 0.164 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -62.8 | 176.6 | 0 | 0 | 0 | 108.5 | E414 W428 C457 Q469 V471 | I398-E414 CarbonylContact C-O 3.53Å; I398-E414 WeakPolarHBondContact CA-O 3.44Å; I398-W428 HydrophobicContact CB-CH2 4.36Å; I398-W428 HydrophobicContact CD1-CH2 3.91Å; I398-W428 HydrophobicContact CD1-CZ3 4.16Å; I398-W428 HydrophobicContact CG1-CH2 4.01Å; I398-W428 HydrophobicContact CG2-CH2 3.46Å; I398-W428 VanDerWaalsContact CG2-CH2 3.46Å; I398-W428 HydrophobicContact CG2-CZ2 4.25Å; I398-W428 HydrophobicContact CG2-CZ3 4.4Å; I398-C457 HydrophobicContact CD1-CB 3.82Å; I398-C457 HydrophobicContact CG1-CB 4.01Å; I398-Q469 HydrophobicContact CD1-CB 4.07Å; I398-Q469 HydrophobicContact CD1-CG 4.11Å; I398-Q469 WeakPolarHBondContact CD1-O 3.12Å; I398-Q469 HydrophobicContact CG1-CB 4.49Å; I398-V471 HydrophobicContact CD1-CB 4.27Å; I398-V471 HydrophobicContact CG2-CB 4.35Å; I398-V471 HydrophobicContact CG2-CG1 4.38Å | |
| 399 | R | 75 | Confident | 60.4 | Low | 146 Ų | 146 | 87.9 Ų | 87.9 | 55% | 0.551 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -69.7 | -177.8 | 174 | 158.5 | 1 | 110.3 | V397 L413 E414 | V397-R399 HydrophobicContact CG1-CG 4.3Å; R399-L413 CarbonylContact O-C 3.57Å; R399-L413 WeakPolarHBondContact O-CA 3.38Å; R399-E414 HydrophobicContact CB-CB 4.5Å; R399-E414 PolarHBondContact N-O 1.67Å; R399-E414 PolarHBondContact O-N 3.17Å | |
| 400 | E | 66.5 | Low | 62.7 | Low | 124 Ų | 124 | 86.8 Ų | 86.8 | 58% | 0.579 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | 0 | 115.9 | 0 | -79.9 | -177.4 | -175 | 0 | 0 | 110.3 | L413 | E400-L413 HydrophobicContact CB-CD2 4.09Å; E400-L413 HydrophobicContact CG-CD2 3.21Å | |
| 401 | I | 60.1 | Low | 65 | Low | 85 Ų | 85 | 79.4 Ų | 79.4 | 44% | 0.436 | 42% | 0.419 | S | S | . | . | trans | -96.5 | 0 | -168.7 | -59.1 | 175.2 | 0 | 0 | 0 | 108.9 | E412 E414 | I401-E412 HydrophobicContact CB-CB 4.1Å; I401-E412 HydrophobicContact CB-CG 4.31Å; I401-E412 HydrophobicContact CD1-CG 3.9Å; I401-E412 PolarHBondContact N-O 2.77Å; I401-E414 HydrophobicContact CD1-CB 3.67Å; I401-E414 HydrophobicContact CG1-CB 4.27Å | ||
| 402 | S | 51.5 | Low | 67.2 | Low | 29 Ų | 29 | 74.4 Ų | 74.4 | 20% | 0.203 | 40% | 0.396 | C | S | . | . | S | Bend | 0 | 0 | 0 | 30.1 | 0 | 0 | 0 | 0 | 109.2 | R410 L411 E412 | S402-R410 WeakPolarHBondContact CB-O 2.15Å; S402-R410 PolarHBondContact OG-O 3.14Å; S402-L411 WeakPolarHBondContact OG-CA 3.25Å; S402-E412 PolarHBondContact OG-N 3.38Å | |
| 403 | G | 57.1 | Low | 69.1 | Low | 58 Ų | 58 | 69.7 Ų | 69.7 | 60% | 0.598 | 37% | 0.365 | S | S | * | . | S | Bend | 0 | 168.8 | 0 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||
| 404 | P | 58.6 | Low | 70.5 | Confident | 87 Ų | 87 | 66 Ų | 66 | 57% | 0.565 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -48.4 | 0 | -166.9 | 12.2 | -11.3 | 0 | 0 | 0 | 111.9 | Y406 | P404-Y406 HydrophobicContact CB-CE2 4.02Å; P404-Y406 HydrophobicContact CG-CE2 3.96Å; P404-Y406 WeakPolarHBondContact O-CD2 2.44Å; P404-Y406 WeakPolarHBondContact O-CE2 2.74Å |
| 405 | L | 61.9 | Low | 71.4 | Confident | 18 Ų | 18 | 62.4 Ų | 62.4 | 9% | 0.094 | 32% | 0.324 | C | S | . | . | 0 | 0 | 0 | -169.9 | 79.7 | 0 | 0 | 0 | 110.2 | L411 F447 L473 S476 | L405-L411 HydrophobicContact CD1-CB 3.26Å; L405-L411 HydrophobicContact CD1-CD1 3.55Å; L405-L411 HydrophobicContact CD1-CD2 3.08Å; L405-L411 HydrophobicContact CD1-CG 3.46Å; L405-L411 VanDerWaalsContact CD1-CG 3.46Å; L405-L411 HydrophobicContact CD2-CD2 4.29Å; L405-L411 HydrophobicContact CG-CD2 4.28Å; L405-F447 HydrophobicContact CD1-CB 4.07Å; L405-F447 HydrophobicContact CD1-CD1 3.89Å; L405-F447 HydrophobicContact CD1-CD2 3.53Å; L405-F447 HydrophobicContact CD1-CE1 4.18Å; L405-F447 HydrophobicContact CD1-CE2 3.85Å; L405-F447 HydrophobicContact CD1-CG 3.56Å; L405-F447 HydrophobicContact CD1-CZ 4.16Å; L405-F447 HydrophobicContact CD2-CD1 3.64Å; L405-F447 HydrophobicContact CD2-CD2 4.14Å; L405-F447 HydrophobicContact CD2-CE1 3.09Å; L405-F447 HydrophobicContact CD2-CE2 3.67Å; L405-F447 HydrophobicContact CD2-CG 4.13Å; L405-F447 HydrophobicContact CD2-CZ 3.11Å; L405-F447 HydrophobicContact CG-CD1 3.68Å; L405-F447 HydrophobicContact CG-CD2 4.19Å; L405-F447 HydrophobicContact CG-CE1 3.73Å; L405-F447 HydrophobicContact CG-CE2 4.24Å; L405-F447 HydrophobicContact CG-CG 3.92Å; L405-F447 HydrophobicContact CG-CZ 4.02Å; L405-L473 HydrophobicContact CD2-CB 4.12Å; L405-S476 PolarHBondContact O-N 3.15Å | |||
| 406 | Y | 69.1 | Low | 71.4 | Confident | 125 Ų | 125 | 61.2 Ų | 61.2 | 49% | 0.49 | 32% | 0.316 | S | S | . | . | 0 | 153.2 | 0 | -54.4 | -76.4 | 0 | 0 | 0 | 110.3 | P404 N408 A409 | P404-Y406 HydrophobicContact CB-CE2 4.02Å; P404-Y406 HydrophobicContact CG-CE2 3.96Å; P404-Y406 WeakPolarHBondContact O-CD2 2.44Å; P404-Y406 WeakPolarHBondContact O-CE2 2.74Å; Y406-N408 PolarHBondContact O-N 3.04Å; Y406-A409 WeakPolarHBondContact O-CB 1.89Å; Y406-A409 PolarHBondContact O-N 2.95Å | |||
| 407 | L | 63.6 | Low | 71.1 | Confident | 83 Ų | 83 | 61.1 Ų | 61.1 | 44% | 0.435 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 0 | 174.2 | -129.6 | 111.3 | 0 | 0 | 0 | 110.7 | A409 P449 V475 | L407-A409 VanDerWaalsContact C-N 3.32Å; L407-A409 PolarHBondContact O-N 2.92Å; L407-P449 HydrophobicContact CD1-CG 3.81Å; L407-P449 HydrophobicContact CD2-CG 3.95Å; L407-P449 HydrophobicContact CG-CG 4.14Å; L407-V475 HydrophobicContact CD1-CG1 4.24Å; L407-V475 HydrophobicContact CD1-CG2 4.06Å |
| 408 | N | 57.3 | Low | 69.9 | Low | 99 Ų | 99 | 67.1 Ų | 67.1 | 53% | 0.529 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -71 | -23.4 | 0 | 0 | 0 | 110.5 | Y406 F447 Q448 | Y406-N408 PolarHBondContact O-N 3.04Å; N408-F447 PolarHBondContact N-O 2.96Å; N408-Q448 PolarHBondContact OD1-NE2 2.42Å | |
| 409 | A | 69.7 | Low | 68.2 | Low | 26 Ų | 26 | 69.3 Ų | 69.3 | 22% | 0.215 | 35% | 0.349 | C | S | . | . | 0 | 149.6 | 0 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y406 L407 F447 | Y406-A409 WeakPolarHBondContact O-CB 1.89Å; Y406-A409 PolarHBondContact O-N 2.95Å; L407-A409 VanDerWaalsContact C-N 3.32Å; L407-A409 PolarHBondContact O-N 2.92Å; A409-F447 WeakPolarHBondContact O-CB 3.32Å; A409-F447 PolarHBondContact O-N 3.13Å | |||
| 410 | R | 75 | Confident | 67.3 | Low | 164 Ų | 164 | 68.1 Ų | 68.1 | 62% | 0.619 | 36% | 0.361 | S | S | * | . | trans | -77.3 | 116.6 | 173.4 | -176.9 | 177.9 | -176.1 | -148.4 | 0.5 | 110.2 | S402 F444 | S402-R410 WeakPolarHBondContact CB-O 2.15Å; S402-R410 PolarHBondContact OG-O 3.14Å; R410-F444 CarbonylContact C-O 3.55Å; R410-F444 WeakPolarHBondContact CA-O 3.18Å | ||
| 411 | L | 81 | Confident | 67.1 | Low | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 0 | 178.1 | 174.2 | 71.7 | 0 | 0 | 0 | 109.9 | S402 L405 V443 F444 F447 L473 | S402-L411 WeakPolarHBondContact OG-CA 3.25Å; L405-L411 HydrophobicContact CD1-CB 3.26Å; L405-L411 HydrophobicContact CD1-CD1 3.55Å; L405-L411 HydrophobicContact CD1-CD2 3.08Å; L405-L411 HydrophobicContact CD1-CG 3.46Å; L405-L411 VanDerWaalsContact CD1-CG 3.46Å; L405-L411 HydrophobicContact CD2-CD2 4.29Å; L405-L411 HydrophobicContact CG-CD2 4.28Å; L411-V443 CarbonylContact O-C 3.44Å; L411-F444 HydrophobicContact CB-CB 4.34Å; L411-F444 HydrophobicContact CB-CD2 4.3Å; L411-F444 HydrophobicContact CD2-CD2 4.02Å; L411-F444 HydrophobicContact CD2-CE2 4.41Å; L411-F444 HydrophobicContact CG-CD2 4.37Å; L411-F444 PolarHBondContact N-O 3.13Å; L411-F444 PolarHBondContact O-N 3.12Å; L411-F447 HydrophobicContact CB-CD2 4.28Å; L411-F447 HydrophobicContact CD2-CD2 3.84Å; L411-F447 HydrophobicContact CD2-CE2 3.72Å; L411-L473 HydrophobicContact CD2-CD1 3.77Å; L411-L473 HydrophobicContact CD2-CD2 3.63Å; L411-L473 HydrophobicContact CD2-CG 4.26Å |
| 412 | E | 81 | Confident | 67.1 | Low | 46 Ų | 46 | 66.4 Ų | 66.4 | 22% | 0.215 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 127.5 | 0 | -171.2 | 173.1 | -178 | 0 | 0 | 110.4 | I401 S402 I442 V443 | I401-E412 HydrophobicContact CB-CB 4.1Å; I401-E412 HydrophobicContact CB-CG 4.31Å; I401-E412 HydrophobicContact CD1-CG 3.9Å; I401-E412 PolarHBondContact N-O 2.77Å; S402-E412 PolarHBondContact OG-N 3.38Å; E412-I442 WeakPolarHBondContact CA-O 3.23Å; E412-V443 HydrophobicContact CB-CG2 4.43Å; E412-V443 HydrophobicContact CG-CG2 3.72Å | |
| 413 | L | 82.9 | Confident | 67.6 | Low | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 0 | 176.3 | -63.5 | 170.6 | 0 | 0 | 0 | 110 | R399 E400 W428 N441 I442 V471 L473 | R399-L413 CarbonylContact O-C 3.57Å; R399-L413 WeakPolarHBondContact O-CA 3.38Å; E400-L413 HydrophobicContact CB-CD2 4.09Å; E400-L413 HydrophobicContact CG-CD2 3.21Å; L413-W428 HydrophobicContact CB-CH2 3.97Å; L413-W428 HydrophobicContact CB-CZ2 4.15Å; L413-N441 CarbonylContact O-C 3.31Å; L413-N441 VanDerWaalsContact O-CA 3.24Å; L413-N441 WeakPolarHBondContact O-CA 2.1Å; L413-I442 HydrophobicContact CB-CG2 3.53Å; L413-I442 HydrophobicContact CD1-CG2 4.04Å; L413-I442 HydrophobicContact CG-CG2 4.17Å; L413-I442 PolarHBondContact N-O 3.29Å; L413-I442 PolarHBondContact O-N 2.18Å; L413-V471 HydrophobicContact CD1-CG1 3.75Å; L413-L473 HydrophobicContact CD1-CD1 4.17Å; L413-L473 HydrophobicContact CD1-CD2 3.72Å; L413-L473 HydrophobicContact CD1-CG 4.38Å |
| 414 | E | 79.4 | Confident | 68.3 | Low | 64 Ų | 64 | 65.5 Ų | 65.5 | 30% | 0.299 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -175.9 | -176.6 | -174.7 | 0 | 0 | 109.9 | I398 R399 I401 S440 N441 | I398-E414 CarbonylContact C-O 3.53Å; I398-E414 WeakPolarHBondContact CA-O 3.44Å; R399-E414 HydrophobicContact CB-CB 4.5Å; R399-E414 PolarHBondContact N-O 1.67Å; R399-E414 PolarHBondContact O-N 3.17Å; I401-E414 HydrophobicContact CD1-CB 3.67Å; I401-E414 HydrophobicContact CG1-CB 4.27Å; E414-S440 WeakPolarHBondContact CA-O 1.02Å; E414-N441 WeakPolarHBondContact CA-OD1 3.36Å; E414-N441 VanDerWaalsContact CB-OD1 3.24Å; E414-N441 WeakPolarHBondContact CB-OD1 2.49Å; E414-N441 WeakPolarHBondContact CG-OD1 3.34Å | |
| 415 | C | 85.8 | Confident | 69.2 | Low | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | 178.6 | 0 | 0 | 0 | 0 | 109 | V397 I426 W428 S440 C457 | V397-C415 WeakPolarHBondContact O-CA 3.31Å; C415-I426 HydrophobicContact CB-CG2 4.02Å; C415-I426 VanDerWaalsContact O-CD1 3.24Å; C415-I426 WeakPolarHBondContact O-CD1 3.13Å; C415-W428 HydrophobicContact CB-CH2 4.15Å; C415-W428 HydrophobicContact CB-CZ2 3.29Å; C415-S440 PolarHBondContact N-O 2.11Å; C415-C457 HydrophobicContact CB-CB 3.56Å; C415-C457 WeakPolarHBondContact CB-SG 3.29Å; C415-C457 WeakPolarHBondContact SG-CB 2.84Å; C415-C457 CovalentContact SG-SG 1.28Å; C415-C457 PolarHBondContact SG-SG 3.31Å | |
| 416 | S | 78.2 | Confident | 70.2 | Confident | 40 Ų | 40 | 69.8 Ų | 69.8 | 28% | 0.28 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | 59 | 0 | 0 | 0 | 0 | 109.5 | V397 | V397-S416 PolarHBondContact N-O 2.82Å; V397-S416 PolarHBondContact O-N 0.45Å | |
| 417 | P | 74.8 | Confident | 70.8 | Confident | 11 Ų | 11 | 65.6 Ų | 65.6 | 7% | 0.071 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 140.1 | 0 | 22.3 | -25.9 | 0 | 0 | 0 | 112 | S395 P419 P420 N421 A424 I459 | S395-P417 CarbonylContact O-C 3.51Å; S395-P417 WeakPolarHBondContact O-CA 2.91Å; P417-P419 CarbonylContact C-O 3.55Å; P417-P419 CarbonylContact O-C 3.44Å; P417-P419 VanDerWaalsContact O-C 3.31Å; P417-P420 VanDerWaalsContact O-CA 3.27Å; P417-P420 WeakPolarHBondContact O-CA 3.43Å; P417-P420 VanDerWaalsContact O-N 3.15Å; P417-N421 HydrophobicContact CG-CB 4.3Å; P417-A424 HydrophobicContact CG-CB 3.82Å; P417-I459 HydrophobicContact CB-CD1 3.88Å; P417-I459 HydrophobicContact CB-CG2 4.07Å; P417-I459 VanDerWaalsContact CD-CD1 3.42Å; P417-I459 HydrophobicContact CG-CD1 4.03Å; P417-I459 HydrophobicContact CG-CG2 4.01Å | |
| 418 | R | 57 | Low | 72.1 | Confident | 170 Ų | 170 | 61.7 Ų | 61.7 | 64% | 0.642 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 0 | 172.7 | -165.1 | 174.1 | -138 | -150.1 | 0.3 | 109.8 | S395 V397 | S395-R418 PolarHBondContact N-O 2.94Å; S395-R418 PolarHBondContact O-N 2.68Å; S395-R418 PolarHBondContact OG-O 2.79Å; V397-R418 HydrophobicContact CG2-CB 4.27Å |
| 419 | P | 47.5 | Very low | 73.5 | Confident | 78 Ų | 78 | 58 Ų | 58 | 51% | 0.506 | 31% | 0.307 | S | S | . | . | S | Bend | 0 | 0 | 0 | 17.2 | -14.7 | 0 | 0 | 0 | 111.5 | P417 N421 | P417-P419 CarbonylContact C-O 3.55Å; P417-P419 CarbonylContact O-C 3.44Å; P417-P419 VanDerWaalsContact O-C 3.31Å; P419-N421 PolarHBondContact O-N 2.04Å | |
| 420 | P | 55.4 | Low | 74.2 | Confident | 122 Ų | 122 | 56.9 Ų | 56.9 | 79% | 0.792 | 30% | 0.298 | S | S | * | . | 0 | 124.5 | 0 | -8.2 | 12.2 | 0 | 0 | 0 | 111.7 | P417 | P417-P420 VanDerWaalsContact O-CA 3.27Å; P417-P420 WeakPolarHBondContact O-CA 3.43Å; P417-P420 VanDerWaalsContact O-N 3.15Å | |||
| 421 | N | 62.7 | Low | 74.5 | Confident | 38 Ų | 38 | 52.4 Ų | 52.4 | 20% | 0.203 | 29% | 0.29 | C | S | . | . | trans | -123.2 | 0 | 176 | -171.9 | -28.3 | 0 | 0 | 0 | 109.9 | Y394 P417 P419 A423 A424 L461 | Y394-N421 HydrophobicContact CE1-CB 4.48Å; P417-N421 HydrophobicContact CG-CB 4.3Å; P419-N421 PolarHBondContact O-N 2.04Å; N421-A423 PolarHBondContact O-N 3.39Å; N421-A423 WeakPolarHBondContact OD1-CA 3.34Å; N421-A423 WeakPolarHBondContact OD1-CB 2.39Å; N421-A423 PolarHBondContact OD1-N 2.45Å; N421-A424 HydrophobicContact CB-CB 4.02Å; N421-A424 WeakPolarHBondContact O-CB 3.3Å; N421-A424 PolarHBondContact O-N 2.93Å; N421-L461 HydrophobicContact CB-CD2 3.74Å; N421-L461 WeakPolarHBondContact ND2-CD2 2.8Å | ||
| 422 | S | 60.1 | Low | 74.4 | Confident | 135 Ų | 135 | 57.4 Ų | 57.4 | 94% | 0.944 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 54.9 | 0 | 0 | 0 | 0 | 111.3 | A424 | S422-A424 VanDerWaalsContact C-N 3.34Š| |
| 423 | A | 62.3 | Low | 74 | Confident | 54 Ų | 54 | 57.6 Ų | 57.6 | 45% | 0.446 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | -2.3 | 0 | 0 | 0 | 0 | 0 | 0 | 110.8 | N421 R425 P462 | N421-A423 PolarHBondContact O-N 3.39Å; N421-A423 WeakPolarHBondContact OD1-CA 3.34Å; N421-A423 WeakPolarHBondContact OD1-CB 2.39Å; N421-A423 PolarHBondContact OD1-N 2.45Å; A423-R425 PolarHBondContact O-N 2.73Å; A423-P462 HydrophobicContact CB-CB 4.31Å; A423-P462 HydrophobicContact CB-CG 3.37Å | |
| 424 | A | 71.4 | Confident | 73.7 | Confident | 14 Ų | 14 | 63.8 Ų | 63.8 | 12% | 0.116 | 36% | 0.362 | C | S | . | . | trans | -77.4 | 125.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | P417 N421 S422 I459 L460 L461 | P417-A424 HydrophobicContact CG-CB 3.82Å; N421-A424 HydrophobicContact CB-CB 4.02Å; N421-A424 WeakPolarHBondContact O-CB 3.3Å; N421-A424 PolarHBondContact O-N 2.93Å; S422-A424 VanDerWaalsContact C-N 3.34Å; A424-I459 HydrophobicContact CB-CG2 3.33Å; A424-L460 CarbonylContact C-O 3.59Å; A424-L460 WeakPolarHBondContact CA-O 3.09Å; A424-L461 HydrophobicContact CB-CD2 3.92Å | ||
| 425 | R | 77.1 | Confident | 73.6 | Confident | 168 Ų | 168 | 64.8 Ų | 64.8 | 63% | 0.634 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 140.1 | 176.1 | -68.4 | -179.8 | 72.5 | -165.3 | 0.6 | 110.1 | A423 I459 L460 | A423-R425 PolarHBondContact O-N 2.73Å; R425-I459 CarbonylContact O-C 3.55Å; R425-I459 WeakPolarHBondContact O-CA 3.31Å; R425-L460 HydrophobicContact CB-CB 4.15Å; R425-L460 PolarHBondContact N-O 3.23Å; R425-L460 PolarHBondContact O-N 3.42Å |
| 426 | I | 82.6 | Confident | 73.5 | Confident | 27 Ų | 27 | 68.1 Ų | 68.1 | 14% | 0.138 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 133.9 | -172.8 | -62.2 | 170.6 | 0 | 0 | 0 | 108.5 | C415 D438 Q458 I459 | C415-I426 HydrophobicContact CB-CG2 4.02Å; C415-I426 VanDerWaalsContact O-CD1 3.24Å; C415-I426 WeakPolarHBondContact O-CD1 3.13Å; I426-D438 CarbonylContact O-C 3.04Å; I426-D438 VanDerWaalsContact O-C 3.27Å; I426-D438 WeakPolarHBondContact O-CA 3.4Å; I426-Q458 CarbonylContact C-O 3.47Å; I426-Q458 VanDerWaalsContact CA-O 3.3Å; I426-Q458 WeakPolarHBondContact CA-O 3.49Å; I426-I459 HydrophobicContact CG1-CD1 4.45Å; I426-I459 HydrophobicContact CG1-CG1 3.82Å; I426-I459 HydrophobicContact CG2-CG1 4.49Å |
| 427 | N | 82.4 | Confident | 73.7 | Confident | 37 Ų | 37 | 67.1 Ų | 67.1 | 20% | 0.198 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 136.1 | 175.1 | -68.4 | -31 | 0 | 0 | 0 | 109.7 | V435 S437 C457 Q458 | N427-V435 HydrophobicContact CB-CG1 4.41Å; N427-S437 CarbonylContact C-O 3.13Å; N427-C457 CarbonylContact O-C 3.36Å; N427-C457 WeakPolarHBondContact O-CA 3.47Å; N427-Q458 HydrophobicContact CB-CB 4.35Å; N427-Q458 PolarHBondContact N-O 3.1Å; N427-Q458 PolarHBondContact O-N 1.35Å |
| 428 | W | 90.1 | Very high | 73.5 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 125.1 | 169.6 | -79.1 | 94.4 | 0 | 0 | 0 | 110.7 | I398 L413 C415 V435 V436 S437 S440 I442 T456 C457 V471 | I398-W428 HydrophobicContact CB-CH2 4.36Å; I398-W428 HydrophobicContact CD1-CH2 3.91Å; I398-W428 HydrophobicContact CD1-CZ3 4.16Å; I398-W428 HydrophobicContact CG1-CH2 4.01Å; I398-W428 HydrophobicContact CG2-CH2 3.46Å; I398-W428 VanDerWaalsContact CG2-CH2 3.46Å; I398-W428 HydrophobicContact CG2-CZ2 4.25Å; I398-W428 HydrophobicContact CG2-CZ3 4.4Å; L413-W428 HydrophobicContact CB-CH2 3.97Å; L413-W428 HydrophobicContact CB-CZ2 4.15Å; C415-W428 HydrophobicContact CB-CH2 4.15Å; C415-W428 HydrophobicContact CB-CZ2 3.29Å; W428-V435 CarbonylContact O-C 3.32Å; W428-V435 VanDerWaalsContact O-CA 3.25Å; W428-V435 WeakPolarHBondContact O-CA 3.28Å; W428-V436 HydrophobicContact CB-CG2 3.68Å; W428-V436 VanDerWaalsContact O-CG2 3.22Å; W428-V436 WeakPolarHBondContact O-CG2 3.23Å; W428-V436 PolarHBondContact O-N 2.56Å; W428-S437 PolarHBondContact N-O 3.28Å; W428-S437 PolarHBondContact O-N 3.06Å; W428-S440 PolarHBondContact NE1-O 3.11Å; W428-I442 HydrophobicContact CB-CD1 4.42Å; W428-I442 HydrophobicContact CD2-CB 4.37Å; W428-I442 HydrophobicContact CD2-CG2 4.21Å; W428-I442 HydrophobicContact CE3-CG2 4.42Å; W428-I442 HydrophobicContact CG-CB 4.28Å; W428-T456 CarbonylContact C-O 3.47Å; W428-T456 WeakPolarHBondContact CA-O 2.22Å; W428-C457 HydrophobicContact CD2-CB 4.44Å; W428-C457 HydrophobicContact CE3-CB 4.36Å; W428-C457 HydrophobicContact CH2-CB 4.16Å; W428-C457 HydrophobicContact CZ2-CB 4.28Å; W428-C457 HydrophobicContact CZ3-CB 4.21Å; W428-V471 HydrophobicContact CZ3-CG1 4.05Å |
| 429 | L | 87.5 | Confident | 74.4 | Confident | 22 Ų | 22 | 67.3 Ų | 67.3 | 12% | 0.115 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 120 | 179.8 | -57.5 | 171.3 | 0 | 0 | 0 | 109 | M434 V435 Y455 T456 | L429-M434 WeakPolarHBondContact CA-O 3.13Å; L429-V435 HydrophobicContact CD2-CG2 3.69Å; L429-Y455 CarbonylContact O-C 3.44Å; L429-Y455 WeakPolarHBondContact O-CA 3.5Å; L429-T456 HydrophobicContact CD1-CG2 4.4Å; L429-T456 PolarHBondContact N-O 3.05Å; L429-T456 PolarHBondContact O-N 3.19Å |
| 430 | G | 83.6 | Confident | 75.7 | Confident | 3 Ų | 3 | 66 Ų | 66 | 3% | 0.031 | 40% | 0.396 | C | S | . | . | trans | -63.4 | 179.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D432 G433 M434 R454 | G430-D432 PolarHBondContact O-N 2.91Å; G430-D432 VanDerWaalsContact O-N 3.15Å; G430-G433 PolarHBondContact O-N 3.23Å; G430-M434 PolarHBondContact N-O 3.05Å; G430-R454 CarbonylContact C-O 3.5Å | ||
| 431 | P | 80.9 | Confident | 76.7 | Confident | 70 Ų | 70 | 62.5 Ų | 62.5 | 46% | 0.455 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -21.2 | 179.6 | -12.2 | 15.5 | 0 | 0 | 0 | 112 | G433 R454 Y455 | P431-G433 VanDerWaalsContact C-N 3.3Å; P431-R454 WeakPolarHBondContact CA-O 3.48Å; P431-Y455 HydrophobicContact CG-CE2 4.12Å |
| 432 | D | 80 | Confident | 77.8 | Confident | 106 Ų | 106 | 61.2 Ų | 61.2 | 57% | 0.567 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 0 | -179.9 | 51.9 | -13.3 | 0 | 0 | 0 | 110.9 | G430 M434 | G430-D432 PolarHBondContact O-N 2.91Å; G430-D432 VanDerWaalsContact O-N 3.15Å; D432-M434 PolarHBondContact OD1-N 3.09Å; D432-M434 WeakPolarHBondContact OD2-CE 3.17Å |
| 433 | G | 73.4 | Confident | 78.8 | Confident | 51 Ų | 51 | 57.9 Ų | 57.9 | 53% | 0.526 | 34% | 0.337 | S | S | . | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.9 | G430 P431 | G430-G433 PolarHBondContact O-N 3.23Å; P431-G433 VanDerWaalsContact C-N 3.3Å | |
| 434 | M | 74.7 | Confident | 79.7 | Confident | 129 Ų | 129 | 56.4 Ų | 56.4 | 64% | 0.635 | 32% | 0.321 | S | S | * | . | S | Bend | 0 | 146.3 | 0 | -70 | -150.6 | -93.7 | 0 | 0 | 109.9 | L429 G430 D432 V436 | L429-M434 WeakPolarHBondContact CA-O 3.13Å; G430-M434 PolarHBondContact N-O 3.05Å; D432-M434 PolarHBondContact OD1-N 3.09Å; D432-M434 WeakPolarHBondContact OD2-CE 3.17Å; M434-V436 PolarHBondContact O-N 3.37Å; M434-V436 VanDerWaalsContact O-N 3.08Å | |
| 435 | V | 77.5 | Confident | 79.5 | Confident | 85 Ų | 85 | 63.6 Ų | 63.6 | 52% | 0.515 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 107.4 | -177.6 | 176.5 | 0 | 0 | 0 | 0 | 109 | N427 W428 L429 | N427-V435 HydrophobicContact CB-CG1 4.41Å; W428-V435 CarbonylContact O-C 3.32Å; W428-V435 VanDerWaalsContact O-CA 3.25Å; W428-V435 WeakPolarHBondContact O-CA 3.28Å; L429-V435 HydrophobicContact CD2-CG2 3.69Å |
| 436 | V | 83.5 | Confident | 79.2 | Confident | 70 Ų | 70 | 64.3 Ų | 64.3 | 42% | 0.424 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 0 | -178.2 | -72.8 | 0 | 0 | 0 | 0 | 109.5 | W428 M434 I442 Y455 | W428-V436 HydrophobicContact CB-CG2 3.68Å; W428-V436 VanDerWaalsContact O-CG2 3.22Å; W428-V436 WeakPolarHBondContact O-CG2 3.23Å; W428-V436 PolarHBondContact O-N 2.56Å; M434-V436 PolarHBondContact O-N 3.37Å; M434-V436 VanDerWaalsContact O-N 3.08Å; V436-I442 HydrophobicContact CB-CD1 4.1Å; V436-I442 HydrophobicContact CG2-CD1 3.35Å; V436-Y455 HydrophobicContact CG1-CE1 4.3Å; V436-Y455 HydrophobicContact CG2-CD1 3.93Å; V436-Y455 HydrophobicContact CG2-CE1 3.97Å |
| 437 | S | 82.2 | Confident | 78.9 | Confident | 19 Ų | 19 | 63 Ų | 63 | 13% | 0.133 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | 173.4 | 0 | 0 | 0 | 0 | 109.3 | N427 W428 S439 N441 | N427-S437 CarbonylContact C-O 3.13Å; W428-S437 PolarHBondContact N-O 3.28Å; W428-S437 PolarHBondContact O-N 3.06Å; S437-S439 PolarHBondContact OG-N 3.05Å; S437-S439 PolarHBondContact OG-OG 2.88Å; S437-N441 PolarHBondContact OG-O 3.5Å | |
| 438 | D | 71.4 | Confident | 78.7 | Confident | 130 Ų | 130 | 64.2 Ų | 64.2 | 70% | 0.695 | 35% | 0.352 | S | S | * | . | S | Bend | 0 | 10.9 | 0 | 55.6 | -3.5 | 0 | 0 | 0 | 110 | I426 | I426-D438 CarbonylContact O-C 3.04Å; I426-D438 VanDerWaalsContact O-C 3.27Å; I426-D438 WeakPolarHBondContact O-CA 3.4Å | |
| 439 | S | 76.2 | Confident | 77.9 | Confident | 55 Ų | 55 | 67.3 Ų | 67.3 | 39% | 0.385 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -105.1 | 163.4 | 179 | 60.8 | 0 | 0 | 0 | 0 | 109.5 | S437 N441 | S437-S439 PolarHBondContact OG-N 3.05Å; S437-S439 PolarHBondContact OG-OG 2.88Å; S439-N441 PolarHBondContact O-N 2.96Å; S439-N441 VanDerWaalsContact O-N 3.14Å; S439-N441 PolarHBondContact OG-O 3.07Å |
| 440 | S | 74.7 | Confident | 77.3 | Confident | 51 Ų | 51 | 73 Ų | 73 | 36% | 0.357 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -64.1 | 0 | -177.1 | 59.7 | 0 | 0 | 0 | 0 | 111 | E414 C415 W428 | E414-S440 WeakPolarHBondContact CA-O 1.02Å; C415-S440 PolarHBondContact N-O 2.11Å; W428-S440 PolarHBondContact NE1-O 3.11Å |
| 441 | N | 77.2 | Confident | 77.1 | Confident | 49 Ų | 49 | 75 Ų | 75 | 26% | 0.262 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -63 | -33.7 | 0 | 0 | 0 | 110.6 | L413 E414 S437 S439 | L413-N441 CarbonylContact O-C 3.31Å; L413-N441 VanDerWaalsContact O-CA 3.24Å; L413-N441 WeakPolarHBondContact O-CA 2.1Å; E414-N441 WeakPolarHBondContact CA-OD1 3.36Å; E414-N441 VanDerWaalsContact CB-OD1 3.24Å; E414-N441 WeakPolarHBondContact CB-OD1 2.49Å; E414-N441 WeakPolarHBondContact CG-OD1 3.34Å; S437-N441 PolarHBondContact OG-O 3.5Å; S439-N441 PolarHBondContact O-N 2.96Å; S439-N441 VanDerWaalsContact O-N 3.14Å; S439-N441 PolarHBondContact OG-O 3.07Å | |
| 442 | I | 84.7 | Confident | 77.2 | Confident | 10 Ų | 10 | 75.1 Ų | 75.1 | 5% | 0.051 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -172.7 | 167.8 | 0 | 0 | 0 | 108.7 | E412 L413 W428 V436 F444 Y455 | E412-I442 WeakPolarHBondContact CA-O 3.23Å; L413-I442 HydrophobicContact CB-CG2 3.53Å; L413-I442 HydrophobicContact CD1-CG2 4.04Å; L413-I442 HydrophobicContact CG-CG2 4.17Å; L413-I442 PolarHBondContact N-O 3.29Å; L413-I442 PolarHBondContact O-N 2.18Å; W428-I442 HydrophobicContact CB-CD1 4.42Å; W428-I442 HydrophobicContact CD2-CB 4.37Å; W428-I442 HydrophobicContact CD2-CG2 4.21Å; W428-I442 HydrophobicContact CE3-CG2 4.42Å; W428-I442 HydrophobicContact CG-CB 4.28Å; V436-I442 HydrophobicContact CB-CD1 4.1Å; V436-I442 HydrophobicContact CG2-CD1 3.35Å; I442-F444 HydrophobicContact CD1-CE2 4.03Å; I442-F444 HydrophobicContact CD1-CZ 3.77Å; I442-F444 HydrophobicContact CG1-CE2 4.01Å; I442-F444 HydrophobicContact CG1-CZ 4.12Å; I442-F444 HydrophobicContact CG2-CE2 4.4Å; I442-Y455 HydrophobicContact CD1-CD1 3.72Å; I442-Y455 HydrophobicContact CD1-CE1 3.69Å | |
| 443 | V | 82.2 | Confident | 77.4 | Confident | 65 Ų | 65 | 71 Ų | 71 | 39% | 0.394 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -179.9 | 0 | 0 | 0 | 0 | 108.6 | L411 E412 | L411-V443 CarbonylContact O-C 3.44Å; E412-V443 HydrophobicContact CB-CG2 4.43Å; E412-V443 HydrophobicContact CG-CG2 3.72Å | |
| 444 | F | 80.2 | Confident | 78.2 | Confident | 23 Ų | 23 | 75.9 Ų | 75.9 | 10% | 0.101 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 103.4 | 0 | -63.5 | -83.9 | 0 | 0 | 0 | 109.5 | R410 L411 I442 R446 F447 H451 Y455 L473 | R410-F444 CarbonylContact C-O 3.55Å; R410-F444 WeakPolarHBondContact CA-O 3.18Å; L411-F444 HydrophobicContact CB-CB 4.34Å; L411-F444 HydrophobicContact CB-CD2 4.3Å; L411-F444 HydrophobicContact CD2-CD2 4.02Å; L411-F444 HydrophobicContact CD2-CE2 4.41Å; L411-F444 HydrophobicContact CG-CD2 4.37Å; L411-F444 PolarHBondContact N-O 3.13Å; L411-F444 PolarHBondContact O-N 3.12Å; I442-F444 HydrophobicContact CD1-CE2 4.03Å; I442-F444 HydrophobicContact CD1-CZ 3.77Å; I442-F444 HydrophobicContact CG1-CE2 4.01Å; I442-F444 HydrophobicContact CG1-CZ 4.12Å; I442-F444 HydrophobicContact CG2-CE2 4.4Å; F444-R446 VanDerWaalsContact C-N 3.25Å; F444-R446 PolarHBondContact O-N 3.3Å; F444-F447 HydrophobicContact CB-CD2 4.17Å; F444-F447 HydrophobicContact CD2-CD2 4.25Å; F444-F447 HydrophobicContact CD2-CE2 4.5Å; F444-F447 HydrophobicContact CG-CD2 4.11Å; F444-H451 HydrophobicContact CD1-CB 4.39Å; F444-H451 HydrophobicContact CE1-CB 4.28Å; F444-Y455 HydrophobicContact CE1-CE1 4.47Å; F444-Y455 WeakPolarHBondContact CE1-OH 3.29Å; F444-Y455 HydrophobicContact CZ-CD1 4.49Å; F444-Y455 AromaticContact CZ-CE1 3.62Å; F444-Y455 HydrophobicContact CZ-CE1 3.62Å; F444-Y455 HydrophobicContact CZ-CE2 4.07Å; F444-Y455 AromaticContact CZ-CZ 3.39Å; F444-Y455 VanDerWaalsContact CZ-OH 3.23Å; F444-Y455 WeakPolarHBondContact CZ-OH 3.1Å; F444-L473 HydrophobicContact CE2-CD1 3.98Å; F444-L473 HydrophobicContact CZ-CD1 4.43Å | |
| 445 | E | 67.9 | Low | 78.9 | Confident | 166 Ų | 166 | 70.2 Ų | 70.2 | 78% | 0.776 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -61.6 | 0 | -176.2 | -82.6 | -154.6 | 178.2 | 0 | 0 | 111.2 | ||
| 446 | R | 71.5 | Confident | 79.5 | Confident | 182 Ų | 182 | 67.5 Ų | 67.5 | 69% | 0.687 | 34% | 0.341 | S | S | * | . | S | Bend | 0 | 0 | 0 | -77.9 | -174 | -173.9 | 169.6 | 1 | 109.2 | F444 Q448 H451 | F444-R446 VanDerWaalsContact C-N 3.25Å; F444-R446 PolarHBondContact O-N 3.3Å; R446-Q448 PolarHBondContact O-N 2.5Å; R446-H451 PolarHBondContact O-CE1 2.99Å | |
| 447 | F | 75.3 | Confident | 79.8 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | 0 | 110.6 | 0 | -168.1 | -97.3 | 0 | 0 | 0 | 109.7 | L405 N408 A409 L411 F444 H451 Q452 L473 V475 | L405-F447 HydrophobicContact CD1-CB 4.07Å; L405-F447 HydrophobicContact CD1-CD1 3.89Å; L405-F447 HydrophobicContact CD1-CD2 3.53Å; L405-F447 HydrophobicContact CD1-CE1 4.18Å; L405-F447 HydrophobicContact CD1-CE2 3.85Å; L405-F447 HydrophobicContact CD1-CG 3.56Å; L405-F447 HydrophobicContact CD1-CZ 4.16Å; L405-F447 HydrophobicContact CD2-CD1 3.64Å; L405-F447 HydrophobicContact CD2-CD2 4.14Å; L405-F447 HydrophobicContact CD2-CE1 3.09Å; L405-F447 HydrophobicContact CD2-CE2 3.67Å; L405-F447 HydrophobicContact CD2-CG 4.13Å; L405-F447 HydrophobicContact CD2-CZ 3.11Å; L405-F447 HydrophobicContact CG-CD1 3.68Å; L405-F447 HydrophobicContact CG-CD2 4.19Å; L405-F447 HydrophobicContact CG-CE1 3.73Å; L405-F447 HydrophobicContact CG-CE2 4.24Å; L405-F447 HydrophobicContact CG-CG 3.92Å; L405-F447 HydrophobicContact CG-CZ 4.02Å; N408-F447 PolarHBondContact N-O 2.96Å; A409-F447 WeakPolarHBondContact O-CB 3.32Å; A409-F447 PolarHBondContact O-N 3.13Å; L411-F447 HydrophobicContact CB-CD2 4.28Å; L411-F447 HydrophobicContact CD2-CD2 3.84Å; L411-F447 HydrophobicContact CD2-CE2 3.72Å; F444-F447 HydrophobicContact CB-CD2 4.17Å; F444-F447 HydrophobicContact CD2-CD2 4.25Å; F444-F447 HydrophobicContact CD2-CE2 4.5Å; F444-F447 HydrophobicContact CG-CD2 4.11Å; F447-H451 HydrophobicContact CD2-CB 4.15Å; F447-H451 HydrophobicContact CE2-CB 3.94Å; F447-H451 HydrophobicContact CZ-CB 4.22Å; F447-Q452 HydrophobicContact CE1-CG 3.71Å; F447-Q452 HydrophobicContact CZ-CG 4.07Å; F447-L473 HydrophobicContact CE2-CB 4.08Å; F447-L473 HydrophobicContact CE2-CD1 3.8Å; F447-L473 HydrophobicContact CZ-CB 3.72Å; F447-L473 HydrophobicContact CZ-CD1 4.3Å; F447-V475 HydrophobicContact CD1-CG2 4Å; F447-V475 HydrophobicContact CE1-CG2 3.72Å | |||
| 448 | Q | 78.9 | Confident | 80.2 | Confident | 62 Ų | 62 | 64.5 Ų | 64.5 | 29% | 0.29 | 32% | 0.321 | S | S | . | . | trans | -102.1 | 154.1 | -175 | -62.7 | -74.2 | -29.8 | 0 | 0 | 109.2 | N408 R446 H450 H451 | N408-Q448 PolarHBondContact OD1-NE2 2.42Å; R446-Q448 PolarHBondContact O-N 2.5Å; Q448-H450 WeakPolarHBondContact CB-CE1 3.17Å; Q448-H450 WeakPolarHBondContact CB-ND1 3.16Å; Q448-H450 PolarHBondContact O-N 0.5Å; Q448-H450 VanDerWaalsContact O-N 3.13Å; Q448-H451 WeakPolarHBondContact CB-ND1 3.24Å; Q448-H451 PolarHBondContact N-ND1 2.98Å; Q448-H451 WeakPolarHBondContact O-CB 2.62Å; Q448-H451 PolarHBondContact O-N 2.58Å | ||
| 449 | P | 71.8 | Confident | 80.8 | Confident | 65 Ų | 65 | 58.3 Ų | 58.3 | 42% | 0.422 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -52 | 0 | -177.8 | -19.3 | 23.5 | 0 | 0 | 0 | 112 | L407 H451 Q452 | L407-P449 HydrophobicContact CD1-CG 3.81Å; L407-P449 HydrophobicContact CD2-CG 3.95Å; L407-P449 HydrophobicContact CG-CG 4.14Å; P449-H451 PolarHBondContact O-N 3.2Å; P449-Q452 WeakPolarHBondContact O-CB 3.18Å; P449-Q452 WeakPolarHBondContact O-CG 3.44Å; P449-Q452 PolarHBondContact O-N 2.89Å |
| 450 | H | 75.1 | Confident | 81 | Confident | 143 Ų | 143 | 58.1 Ų | 58.1 | 66% | 0.662 | 28% | 0.282 | S | S | * | . | G | 310 helix | 0 | -6 | 0 | 60.4 | -79.2 | 0 | 0 | 0 | 110.9 | Q448 Q452 | Q448-H450 WeakPolarHBondContact CB-CE1 3.17Å; Q448-H450 WeakPolarHBondContact CB-ND1 3.16Å; Q448-H450 PolarHBondContact O-N 0.5Å; Q448-H450 VanDerWaalsContact O-N 3.13Å; H450-Q452 VanDerWaalsContact C-N 3.27Å | |
| 451 | H | 79.3 | Confident | 81 | Confident | 44 Ų | 44 | 56 Ų | 56 | 20% | 0.204 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -85.4 | -11.7 | 178.7 | -68.2 | 131.7 | 0 | 0 | 0 | 110.7 | F444 R446 F447 Q448 P449 Y455 | F444-H451 HydrophobicContact CD1-CB 4.39Å; F444-H451 HydrophobicContact CE1-CB 4.28Å; R446-H451 PolarHBondContact O-CE1 2.99Å; F447-H451 HydrophobicContact CD2-CB 4.15Å; F447-H451 HydrophobicContact CE2-CB 3.94Å; F447-H451 HydrophobicContact CZ-CB 4.22Å; Q448-H451 WeakPolarHBondContact CB-ND1 3.24Å; Q448-H451 PolarHBondContact N-ND1 2.98Å; Q448-H451 WeakPolarHBondContact O-CB 2.62Å; Q448-H451 PolarHBondContact O-N 2.58Å; P449-H451 PolarHBondContact O-N 3.2Å; H451-Y455 WeakPolarHBondContact O-CE2 3.26Å; H451-Y455 PolarHBondContact O-OH 3.49Å |
| 452 | Q | 83.3 | Confident | 80.1 | Confident | 73 Ų | 73 | 57.2 Ų | 57.2 | 34% | 0.341 | 28% | 0.277 | S | S | . | . | trans | -64.5 | 138.5 | 178.8 | -68.3 | -173.8 | 34.5 | 0 | 0 | 111 | F447 P449 H450 V475 | F447-Q452 HydrophobicContact CE1-CG 3.71Å; F447-Q452 HydrophobicContact CZ-CG 4.07Å; P449-Q452 WeakPolarHBondContact O-CB 3.18Å; P449-Q452 WeakPolarHBondContact O-CG 3.44Å; P449-Q452 PolarHBondContact O-N 2.89Å; H450-Q452 VanDerWaalsContact C-N 3.27Å; Q452-V475 HydrophobicContact CG-CG2 3.9Å | ||
| 453 | G | 84.7 | Confident | 79.1 | Confident | 19 Ų | 19 | 62.5 Ų | 62.5 | 20% | 0.196 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 150.1 | 0 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y455 L473 | G453-Y455 WeakPolarHBondContact O-CD2 3.24Å; G453-L473 PolarHBondContact N-O 2.2Å; G453-L473 PolarHBondContact O-N 3.09Å |
| 454 | R | 89.4 | Confident | 77.9 | Confident | 153 Ų | 153 | 67.3 Ų | 67.3 | 58% | 0.577 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | 0 | 115 | 0 | -174.4 | 175.6 | 179.5 | -178 | -3.6 | 110.5 | G430 P431 S470 | G430-R454 CarbonylContact C-O 3.5Å; P431-R454 WeakPolarHBondContact CA-O 3.48Å; R454-S470 PolarHBondContact NE-OG 3.29Å; R454-S470 PolarHBondContact NH2-OG 3.39Å | |
| 455 | Y | 89.8 | Confident | 77.6 | Confident | 11 Ų | 11 | 69.4 Ų | 69.4 | 4% | 0.043 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 126.4 | 174.9 | -75.5 | -99.1 | 0 | 0 | 0 | 110.1 | L429 P431 V436 I442 F444 H451 G453 S470 V471 L473 | L429-Y455 CarbonylContact O-C 3.44Å; L429-Y455 WeakPolarHBondContact O-CA 3.5Å; P431-Y455 HydrophobicContact CG-CE2 4.12Å; V436-Y455 HydrophobicContact CG1-CE1 4.3Å; V436-Y455 HydrophobicContact CG2-CD1 3.93Å; V436-Y455 HydrophobicContact CG2-CE1 3.97Å; I442-Y455 HydrophobicContact CD1-CD1 3.72Å; I442-Y455 HydrophobicContact CD1-CE1 3.69Å; F444-Y455 HydrophobicContact CE1-CE1 4.47Å; F444-Y455 WeakPolarHBondContact CE1-OH 3.29Å; F444-Y455 HydrophobicContact CZ-CD1 4.49Å; F444-Y455 AromaticContact CZ-CE1 3.62Å; F444-Y455 HydrophobicContact CZ-CE1 3.62Å; F444-Y455 HydrophobicContact CZ-CE2 4.07Å; F444-Y455 AromaticContact CZ-CZ 3.39Å; F444-Y455 VanDerWaalsContact CZ-OH 3.23Å; F444-Y455 WeakPolarHBondContact CZ-OH 3.1Å; H451-Y455 WeakPolarHBondContact O-CE2 3.26Å; H451-Y455 PolarHBondContact O-OH 3.49Å; G453-Y455 WeakPolarHBondContact O-CD2 3.24Å; Y455-S470 CarbonylContact O-C 3.43Å; Y455-S470 VanDerWaalsContact O-C 3.3Å; Y455-S470 WeakPolarHBondContact O-CA 3.45Å; Y455-V471 PolarHBondContact N-O 3.02Å; Y455-V471 PolarHBondContact O-N 3.14Å; Y455-L473 HydrophobicContact CD2-CD1 3.33Å; Y455-L473 HydrophobicContact CD2-CG 3.94Å; Y455-L473 HydrophobicContact CE2-CD1 3.4Å; Y455-L473 HydrophobicContact CE2-CG 4.32Å; Y455-L473 HydrophobicContact CG-CD1 4.22Å |
| 456 | T | 89.8 | Confident | 78 | Confident | 28 Ų | 28 | 65.5 Ų | 65.5 | 17% | 0.172 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 126.9 | -176.9 | -56.9 | 0 | 0 | 0 | 0 | 110.5 | W428 L429 R468 Q469 S470 | W428-T456 CarbonylContact C-O 3.47Å; W428-T456 WeakPolarHBondContact CA-O 2.22Å; L429-T456 HydrophobicContact CD1-CG2 4.4Å; L429-T456 PolarHBondContact N-O 3.05Å; L429-T456 PolarHBondContact O-N 3.19Å; T456-R468 HydrophobicContact CG2-CB 4.07Å; T456-Q469 CarbonylContact C-O 3.33Å; T456-Q469 WeakPolarHBondContact CA-O 3.47Å; T456-S470 WeakPolarHBondContact OG1-CB 3.1Å |
| 457 | C | 90.8 | Very high | 78.4 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 125.5 | 169.9 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | V396 I398 C415 N427 W428 R468 Q469 | V396-C457 HydrophobicContact CG1-CB 4.27Å; I398-C457 HydrophobicContact CD1-CB 3.82Å; I398-C457 HydrophobicContact CG1-CB 4.01Å; C415-C457 HydrophobicContact CB-CB 3.56Å; C415-C457 WeakPolarHBondContact CB-SG 3.29Å; C415-C457 WeakPolarHBondContact SG-CB 2.84Å; C415-C457 CovalentContact SG-SG 1.28Å; C415-C457 PolarHBondContact SG-SG 3.31Å; N427-C457 CarbonylContact O-C 3.36Å; N427-C457 WeakPolarHBondContact O-CA 3.47Å; W428-C457 HydrophobicContact CD2-CB 4.44Å; W428-C457 HydrophobicContact CE3-CB 4.36Å; W428-C457 HydrophobicContact CH2-CB 4.16Å; W428-C457 HydrophobicContact CZ2-CB 4.28Å; W428-C457 HydrophobicContact CZ3-CB 4.21Å; C457-R468 CarbonylContact O-C 3.1Å; C457-R468 WeakPolarHBondContact O-CA 2.39Å; C457-Q469 WeakPolarHBondContact CA-O 1.82Å; C457-Q469 PolarHBondContact N-O 1.9Å; C457-Q469 PolarHBondContact O-N 3.44Å |
| 458 | Q | 89.7 | Confident | 78.7 | Confident | 25 Ų | 25 | 65.9 Ų | 65.9 | 12% | 0.117 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 0 | -178.4 | -179.6 | -178.6 | -54.5 | 0 | 0 | 109.3 | I426 N427 I466 L467 R468 | I426-Q458 CarbonylContact C-O 3.47Å; I426-Q458 VanDerWaalsContact CA-O 3.3Å; I426-Q458 WeakPolarHBondContact CA-O 3.49Å; N427-Q458 HydrophobicContact CB-CB 4.35Å; N427-Q458 PolarHBondContact N-O 3.1Å; N427-Q458 PolarHBondContact O-N 1.35Å; Q458-I466 HydrophobicContact CG-CG2 3.53Å; Q458-L467 CarbonylContact C-O 3.44Å; Q458-L467 WeakPolarHBondContact CA-O 2.24Å; Q458-R468 HydrophobicContact CB-CG 3.94Å; Q458-R468 VanDerWaalsContact CD-NE 3.31Å; Q458-R468 HydrophobicContact CG-CG 3.71Å |
| 459 | I | 83.4 | Confident | 79.1 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 124.7 | 0 | -63.3 | 176.5 | 0 | 0 | 0 | 109.1 | V396 P417 A424 R425 I426 I466 L467 | V396-I459 HydrophobicContact CB-CD1 4.42Å; V396-I459 HydrophobicContact CG1-CD1 3.99Å; V396-I459 HydrophobicContact CG2-CD1 4.04Å; V396-I459 HydrophobicContact CG2-CG1 4.45Å; P417-I459 HydrophobicContact CB-CD1 3.88Å; P417-I459 HydrophobicContact CB-CG2 4.07Å; P417-I459 VanDerWaalsContact CD-CD1 3.42Å; P417-I459 HydrophobicContact CG-CD1 4.03Å; P417-I459 HydrophobicContact CG-CG2 4.01Å; A424-I459 HydrophobicContact CB-CG2 3.33Å; R425-I459 CarbonylContact O-C 3.55Å; R425-I459 WeakPolarHBondContact O-CA 3.31Å; I426-I459 HydrophobicContact CG1-CD1 4.45Å; I426-I459 HydrophobicContact CG1-CG1 3.82Å; I426-I459 HydrophobicContact CG2-CG1 4.49Å; I459-I466 CarbonylContact O-C 3.55Å; I459-I466 WeakPolarHBondContact O-CA 3.27Å; I459-L467 HydrophobicContact CB-CB 4.36Å; I459-L467 PolarHBondContact N-O 3.04Å; I459-L467 PolarHBondContact O-N 3.4Å | |
| 460 | L | 81 | Confident | 79.7 | Confident | 52 Ų | 52 | 65.5 Ų | 65.5 | 27% | 0.272 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 109.6 | 179.6 | -160.6 | 82.2 | 0 | 0 | 0 | 109.2 | A424 R425 I466 | A424-L460 CarbonylContact C-O 3.59Å; A424-L460 WeakPolarHBondContact CA-O 3.09Å; R425-L460 HydrophobicContact CB-CB 4.15Å; R425-L460 PolarHBondContact N-O 3.23Å; R425-L460 PolarHBondContact O-N 3.42Å; L460-I466 HydrophobicContact CD1-CB 4.18Å; L460-I466 HydrophobicContact CD1-CD1 3.62Å; L460-I466 HydrophobicContact CD1-CG1 2.98Å; L460-I466 HydrophobicContact CG-CG1 4.35Å |
| 461 | L | 74.8 | Confident | 80.1 | Confident | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | trans | -80.3 | 150.2 | 176.6 | -68.7 | 160.4 | 0 | 0 | 0 | 110.7 | Y394 N421 A424 N463 Q464 I465 L467 | Y394-L461 HydrophobicContact CD1-CD1 4.13Å; Y394-L461 HydrophobicContact CD1-CD2 4.03Å; Y394-L461 HydrophobicContact CD2-CD1 3.27Å; Y394-L461 HydrophobicContact CD2-CD2 4.44Å; Y394-L461 HydrophobicContact CD2-CG 4.47Å; Y394-L461 HydrophobicContact CE1-CD2 4.14Å; Y394-L461 HydrophobicContact CE2-CD1 3.91Å; Y394-L461 HydrophobicContact CG-CD1 3.4Å; Y394-L461 HydrophobicContact CG-CD2 4.18Å; Y394-L461 HydrophobicContact CG-CG 4.43Å; N421-L461 HydrophobicContact CB-CD2 3.74Å; N421-L461 WeakPolarHBondContact ND2-CD2 2.8Å; A424-L461 HydrophobicContact CB-CD2 3.92Å; L461-N463 PolarHBondContact O-N 3.15Å; L461-Q464 PolarHBondContact O-N 2.78Å; L461-I465 HydrophobicContact CB-CB 4.29Å; L461-I465 HydrophobicContact CD1-CB 4.03Å; L461-I465 HydrophobicContact CD1-CG2 4.1Å; L461-I465 PolarHBondContact N-O 3.27Å; L461-L467 HydrophobicContact CD1-CD1 3.78Å; L461-L467 HydrophobicContact CD1-CG 4.36Å; L461-L467 HydrophobicContact CG-CD1 4.45Å | ||
| 462 | P | 57.9 | Low | 80.2 | Confident | 76 Ų | 76 | 64.8 Ų | 64.8 | 49% | 0.494 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -20.7 | -173.2 | -12.1 | 14.7 | 0 | 0 | 0 | 111.8 | A423 Q464 | A423-P462 HydrophobicContact CB-CB 4.31Å; A423-P462 HydrophobicContact CB-CG 3.37Å; P462-Q464 PolarHBondContact O-N 3.18Å |
| 463 | N | 63.6 | Low | 80 | Confident | 120 Ų | 120 | 61.5 Ų | 61.5 | 64% | 0.642 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 19.1 | 179.8 | -64 | -4.8 | 0 | 0 | 0 | 111.1 | L461 I465 | L461-N463 PolarHBondContact O-N 3.15Å; N463-I465 PolarHBondContact O-N 3.48Å |
| 464 | Q | 58.4 | Low | 79.5 | Confident | 167 Ų | 167 | 64.7 Ų | 64.7 | 78% | 0.78 | 32% | 0.319 | S | S | * | . | S | Bend | trans | 72.1 | 0 | 174.4 | -68.9 | -135 | -9.8 | 0 | 0 | 110.5 | L461 P462 | L461-Q464 PolarHBondContact O-N 2.78Å; P462-Q464 PolarHBondContact O-N 3.18Å |
| 465 | I | 72.5 | Confident | 78.4 | Confident | 66 Ų | 66 | 58.9 Ų | 58.9 | 34% | 0.338 | 30% | 0.3 | S | S | . | . | 0 | 127 | 0 | -64.6 | 173.7 | 0 | 0 | 0 | 109.1 | L461 N463 L467 | L461-I465 HydrophobicContact CB-CB 4.29Å; L461-I465 HydrophobicContact CD1-CB 4.03Å; L461-I465 HydrophobicContact CD1-CG2 4.1Å; L461-I465 PolarHBondContact N-O 3.27Å; N463-I465 PolarHBondContact O-N 3.48Å; I465-L467 HydrophobicContact CG2-CD2 4.32Å; I465-L467 HydrophobicContact CG2-CG 4.39Å | |||
| 466 | I | 76.2 | Confident | 76.8 | Confident | 85 Ų | 85 | 62 Ų | 62 | 44% | 0.436 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 125.2 | -177.9 | -61.4 | 173.5 | 0 | 0 | 0 | 108.5 | Q458 I459 L460 R468 | Q458-I466 HydrophobicContact CG-CG2 3.53Å; I459-I466 CarbonylContact O-C 3.55Å; I459-I466 WeakPolarHBondContact O-CA 3.27Å; L460-I466 HydrophobicContact CD1-CB 4.18Å; L460-I466 HydrophobicContact CD1-CD1 3.62Å; L460-I466 HydrophobicContact CD1-CG1 2.98Å; L460-I466 HydrophobicContact CG-CG1 4.35Å; I466-R468 HydrophobicContact CG2-CG 4.03Å |
| 467 | L | 80.4 | Confident | 74.8 | Confident | 33 Ų | 33 | 63.2 Ų | 63.2 | 17% | 0.173 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 129.8 | 175.4 | -59.9 | 168.7 | 0 | 0 | 0 | 110.2 | Y394 V396 Q458 I459 L461 I465 | Y394-L467 HydrophobicContact CG-CD1 4.43Å; V396-L467 HydrophobicContact CG2-CB 3.11Å; V396-L467 HydrophobicContact CG2-CD1 4.35Å; V396-L467 HydrophobicContact CG2-CG 4.31Å; Q458-L467 CarbonylContact C-O 3.44Å; Q458-L467 WeakPolarHBondContact CA-O 2.24Å; I459-L467 HydrophobicContact CB-CB 4.36Å; I459-L467 PolarHBondContact N-O 3.04Å; I459-L467 PolarHBondContact O-N 3.4Å; L461-L467 HydrophobicContact CD1-CD1 3.78Å; L461-L467 HydrophobicContact CD1-CG 4.36Å; L461-L467 HydrophobicContact CG-CD1 4.45Å; I465-L467 HydrophobicContact CG2-CD2 4.32Å; I465-L467 HydrophobicContact CG2-CG 4.39Å |
| 468 | R | 82.9 | Confident | 72.3 | Confident | 156 Ų | 156 | 69.4 Ų | 69.4 | 59% | 0.589 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 140.9 | -176.6 | -70.9 | -175.8 | 177.3 | -176.9 | -1 | 109.7 | T456 C457 Q458 I466 | T456-R468 HydrophobicContact CG2-CB 4.07Å; C457-R468 CarbonylContact O-C 3.1Å; C457-R468 WeakPolarHBondContact O-CA 2.39Å; Q458-R468 HydrophobicContact CB-CG 3.94Å; Q458-R468 VanDerWaalsContact CD-NE 3.31Å; Q458-R468 HydrophobicContact CG-CG 3.71Å; I466-R468 HydrophobicContact CG2-CG 4.03Å |
| 469 | Q | 85.6 | Confident | 69.6 | Low | 82 Ų | 82 | 73.6 Ų | 73.6 | 38% | 0.383 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 135.6 | 171.2 | -169.5 | 167.4 | -13.8 | 0 | 0 | 109.4 | V396 I398 T456 C457 | V396-Q469 HydrophobicContact CB-CB 3.68Å; V396-Q469 HydrophobicContact CG1-CB 3.47Å; V396-Q469 VanDerWaalsContact CG1-CB 3.47Å; V396-Q469 PolarHBondContact O-OE1 3.24Å; I398-Q469 HydrophobicContact CD1-CB 4.07Å; I398-Q469 HydrophobicContact CD1-CG 4.11Å; I398-Q469 WeakPolarHBondContact CD1-O 3.12Å; I398-Q469 HydrophobicContact CG1-CB 4.49Å; T456-Q469 CarbonylContact C-O 3.33Å; T456-Q469 WeakPolarHBondContact CA-O 3.47Å; C457-Q469 WeakPolarHBondContact CA-O 1.82Å; C457-Q469 PolarHBondContact N-O 1.9Å; C457-Q469 PolarHBondContact O-N 3.44Å |
| 470 | S | 85.1 | Confident | 67.1 | Low | 38 Ų | 38 | 79.1 Ų | 79.1 | 27% | 0.266 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 149.1 | -174.7 | 46.9 | 0 | 0 | 0 | 0 | 110.7 | R454 Y455 T456 | R454-S470 PolarHBondContact NE-OG 3.29Å; R454-S470 PolarHBondContact NH2-OG 3.39Å; Y455-S470 CarbonylContact O-C 3.43Å; Y455-S470 VanDerWaalsContact O-C 3.3Å; Y455-S470 WeakPolarHBondContact O-CA 3.45Å; T456-S470 WeakPolarHBondContact OG1-CB 3.1Å |
| 471 | V | 82.7 | Confident | 64.6 | Low | 27 Ų | 27 | 85.2 Ų | 85.2 | 16% | 0.164 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 131.2 | 176.1 | 65.9 | 0 | 0 | 0 | 0 | 108.6 | I398 L413 W428 Y455 | I398-V471 HydrophobicContact CD1-CB 4.27Å; I398-V471 HydrophobicContact CG2-CB 4.35Å; I398-V471 HydrophobicContact CG2-CG1 4.38Å; L413-V471 HydrophobicContact CD1-CG1 3.75Å; W428-V471 HydrophobicContact CZ3-CG1 4.05Å; Y455-V471 PolarHBondContact N-O 3.02Å; Y455-V471 PolarHBondContact O-N 3.14Å |
| 472 | E | 82.1 | Confident | 62.3 | Low | 144 Ų | 144 | 92.2 Ų | 92.2 | 67% | 0.673 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 123 | -179.9 | -152.9 | 172.4 | -176.5 | 0 | 0 | 110.3 | V474 | E472-V474 HydrophobicContact CG-CG2 4.29Å |
| 473 | L | 79.6 | Confident | 60.8 | Low | 5 Ų | 5 | 94 Ų | 94 | 3% | 0.026 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 109 | -177.5 | -58.3 | 173.5 | 0 | 0 | 0 | 109.6 | L405 L411 L413 F444 F447 G453 Y455 | L405-L473 HydrophobicContact CD2-CB 4.12Å; L411-L473 HydrophobicContact CD2-CD1 3.77Å; L411-L473 HydrophobicContact CD2-CD2 3.63Å; L411-L473 HydrophobicContact CD2-CG 4.26Å; L413-L473 HydrophobicContact CD1-CD1 4.17Å; L413-L473 HydrophobicContact CD1-CD2 3.72Å; L413-L473 HydrophobicContact CD1-CG 4.38Å; F444-L473 HydrophobicContact CE2-CD1 3.98Å; F444-L473 HydrophobicContact CZ-CD1 4.43Å; F447-L473 HydrophobicContact CE2-CB 4.08Å; F447-L473 HydrophobicContact CE2-CD1 3.8Å; F447-L473 HydrophobicContact CZ-CB 3.72Å; F447-L473 HydrophobicContact CZ-CD1 4.3Å; G453-L473 PolarHBondContact N-O 2.2Å; G453-L473 PolarHBondContact O-N 3.09Å; Y455-L473 HydrophobicContact CD2-CD1 3.33Å; Y455-L473 HydrophobicContact CD2-CG 3.94Å; Y455-L473 HydrophobicContact CE2-CD1 3.4Å; Y455-L473 HydrophobicContact CE2-CG 4.32Å; Y455-L473 HydrophobicContact CG-CD1 4.22Å |
| 474 | V | 73.5 | Confident | 59.1 | Low | 86 Ų | 86 | 96.3 Ų | 96.3 | 52% | 0.521 | 53% | 0.527 | S | S | . | . | trans | -122.2 | 0 | -179.8 | -176.8 | 0 | 0 | 0 | 0 | 108.2 | E472 S476 | E472-V474 HydrophobicContact CG-CG2 4.29Å; V474-S476 PolarHBondContact O-N 3.32Å | ||
| 475 | V | 67.5 | Low | 57.9 | Low | 31 Ų | 31 | 93.7 Ų | 93.7 | 19% | 0.188 | 53% | 0.525 | C | S | . | . | 0 | 119.4 | 0 | 168.8 | 0 | 0 | 0 | 0 | 109.1 | L407 F447 Q452 | L407-V475 HydrophobicContact CD1-CG1 4.24Å; L407-V475 HydrophobicContact CD1-CG2 4.06Å; F447-V475 HydrophobicContact CD1-CG2 4Å; F447-V475 HydrophobicContact CE1-CG2 3.72Å; Q452-V475 HydrophobicContact CG-CG2 3.9Å | |||
| 476 | S | 54.3 | Low | 56.1 | Low | 76 Ų | 76 | 97.7 Ų | 97.7 | 53% | 0.531 | 55% | 0.547 | S | S | . | . | trans | -92.5 | 0 | 179.1 | -49.2 | 0 | 0 | 0 | 0 | 110.3 | L405 V474 | L405-S476 PolarHBondContact O-N 3.15Å; V474-S476 PolarHBondContact O-N 3.32Å | ||
| 477 | G | 48 | Very low | 54.5 | Low | 53 Ų | 53 | 101.7 Ų | 101.7 | 55% | 0.546 | 56% | 0.556 | S | S | . | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 478 | T | 38.1 | Very low | 53.3 | Low | 131 Ų | 131 | 107.3 Ų | 107.3 | 80% | 0.804 | 58% | 0.581 | S | S | * | * | 0 | 100.5 | 0 | 46.6 | 0 | 0 | 0 | 0 | 109.8 | T480 | T478-T480 VanDerWaalsContact C-N 3.32Å; T478-T480 PolarHBondContact O-N 3.45Å | |||
| 479 | S | 33.4 | Very low | 52.8 | Low | 112 Ų | 112 | 101.7 Ų | 101.7 | 78% | 0.783 | 56% | 0.56 | S | S | * | * | trans | -9.7 | 62 | 157.8 | 172.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 480 | T | 31.4 | Very low | 52 | Low | 117 Ų | 117 | 102.3 Ų | 102.3 | 72% | 0.718 | 57% | 0.57 | S | S | * | * | trans | -108.2 | 90.4 | 172 | 49.1 | 0 | 0 | 0 | 0 | 109.1 | T478 | T478-T480 VanDerWaalsContact C-N 3.32Å; T478-T480 PolarHBondContact O-N 3.45Å | ||
| 481 | E | 28.3 | Very low | 52 | Low | 180 Ų | 180 | 101.3 Ų | 101.3 | 84% | 0.841 | 56% | 0.561 | S | S | * | * | trans | 128 | 64 | 130.4 | -88.9 | -177.8 | -177.4 | 0 | 0 | 109.5 | P483 | E481-P483 VanDerWaalsContact C-CD 3.5Å; E481-P483 VanDerWaalsContact O-CD 3.22Å; E481-P483 WeakPolarHBondContact O-CD 2.59Å | ||
| 482 | I | 26.4 | Very low | 52 | Low | 151 Ų | 151 | 106.7 Ų | 106.7 | 77% | 0.774 | 58% | 0.579 | S | S | * | * | trans | -76.8 | 106.6 | 165.2 | -57.8 | 160.6 | 0 | 0 | 0 | 108.7 | ||||
| 483 | P | 27.3 | Very low | 52.2 | Low | 115 Ų | 115 | 100.8 Ų | 100.8 | 75% | 0.747 | 55% | 0.552 | S | S | * | * | trans | -59.6 | 106.6 | 163.6 | 13.5 | 1.3 | 0 | 0 | 0 | 111.7 | E481 | E481-P483 VanDerWaalsContact C-CD 3.5Å; E481-P483 VanDerWaalsContact O-CD 3.22Å; E481-P483 WeakPolarHBondContact O-CD 2.59Å | ||
| 484 | E | 26.7 | Very low | 52.4 | Low | 167 Ų | 167 | 103.1 Ų | 103.1 | 78% | 0.78 | 56% | 0.564 | S | S | * | * | trans | -42.5 | 136.7 | 156.6 | -84.9 | 173.8 | 178.7 | 0 | 0 | 111.5 | ||||
| 485 | P | 33.1 | Very low | 52.8 | Low | 113 Ų | 113 | 101 Ų | 101 | 73% | 0.734 | 55% | 0.548 | S | S | * | . | cis | -162.2 | 0 | 27.4 | 33.6 | -4.5 | 0 | 0 | 0 | 112.2 | ||||
| 486 | D | 34.4 | Very low | 52.4 | Low | 150 Ų | 150 | 102.7 Ų | 102.7 | 80% | 0.802 | 56% | 0.561 | S | S | * | * | 0 | 56.8 | 0 | -113.9 | -7.7 | 0 | 0 | 0 | 109.8 | H488 | D486-H488 PolarHBondContact O-N 3.38Š| |||
| 487 | R | 44.4 | Very low | 52.6 | Low | 168 Ų | 168 | 102 Ų | 102 | 63% | 0.634 | 56% | 0.555 | S | S | * | * | trans | -60.9 | 97.5 | -175.8 | -77 | -172 | -171.4 | -158.2 | 0.9 | 110.6 | Y489 | R487-Y489 HydrophobicContact CB-CE2 3.93Š| ||
| 488 | H | 54.7 | Low | 52.9 | Low | 152 Ų | 152 | 104.4 Ų | 104.4 | 70% | 0.704 | 56% | 0.559 | S | S | * | * | trans | -73.3 | 96.7 | 171.4 | -77.9 | 87.2 | 0 | 0 | 0 | 110.6 | D486 | D486-H488 PolarHBondContact O-N 3.38Š| ||
| 489 | Y | 72.9 | Confident | 53.8 | Low | 38 Ų | 38 | 107 Ų | 107 | 15% | 0.149 | 56% | 0.555 | C | S | . | * | trans | -75.8 | 126.7 | 171 | -66 | -75.6 | 0 | 0 | 0 | 110.5 | R487 V512 P514 P516 L555 M558 L560 | R487-Y489 HydrophobicContact CB-CE2 3.93Å; Y489-V512 HydrophobicContact CD1-CG1 3.96Å; Y489-V512 HydrophobicContact CG-CG1 4.27Å; Y489-P514 WeakPolarHBondContact CD1-O 3.48Å; Y489-P516 HydrophobicContact CD1-CB 4.23Å; Y489-P516 HydrophobicContact CD1-CG 4.05Å; Y489-P516 HydrophobicContact CE1-CB 3.64Å; Y489-P516 HydrophobicContact CE1-CG 3.96Å; Y489-L555 HydrophobicContact CD1-CD2 4.09Å; Y489-L555 HydrophobicContact CD2-CD1 4.31Å; Y489-L555 HydrophobicContact CD2-CD2 3.71Å; Y489-L555 HydrophobicContact CE1-CD2 3.97Å; Y489-L555 HydrophobicContact CE2-CD2 3.57Å; Y489-L555 HydrophobicContact CG-CD1 4.42Å; Y489-L555 HydrophobicContact CG-CD2 3.96Å; Y489-M558 HydrophobicContact CD2-SD 4.37Å; Y489-L560 HydrophobicContact CG-CD1 3.99Å; Y489-L560 WeakPolarHBondContact O-CD2 3.41Å | ||
| 490 | T | 68 | Low | 55.3 | Low | 94 Ų | 94 | 102.3 Ų | 102.3 | 58% | 0.577 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103 | 144 | 169 | 54.4 | 0 | 0 | 0 | 0 | 110.3 | V512 S513 | T490-V512 CarbonylContact O-C 3.34Å; T490-V512 VanDerWaalsContact O-CA 3.25Å; T490-V512 WeakPolarHBondContact O-CA 3.14Å; T490-S513 PolarHBondContact N-O 3.34Å; T490-S513 PolarHBondContact O-N 2.82Å; T490-S513 PolarHBondContact OG1-O 3.14Å |
| 491 | I | 84.4 | Confident | 56.7 | Low | 18 Ų | 18 | 105.2 Ų | 105.2 | 9% | 0.092 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 128.5 | -176.3 | -176.5 | 166.9 | 0 | 0 | 0 | 108.2 | C510 V511 V512 A553 L560 T561 F562 | I491-C510 VanDerWaalsContact CD1-SG 3.56Å; I491-V511 CarbonylContact C-O 3.37Å; I491-V511 WeakPolarHBondContact CA-O 3.4Å; I491-V512 HydrophobicContact CB-CG2 4.43Å; I491-V512 HydrophobicContact CD1-CG2 4.34Å; I491-V512 HydrophobicContact CG1-CG2 4.18Å; I491-A553 HydrophobicContact CD1-CB 3.65Å; I491-L560 HydrophobicContact CB-CB 3.87Å; I491-L560 HydrophobicContact CD1-CB 4.14Å; I491-L560 VanDerWaalsContact CD1-O 3.28Å; I491-L560 WeakPolarHBondContact CD1-O 3.3Å; I491-L560 HydrophobicContact CG2-CB 3.86Å; I491-T561 WeakPolarHBondContact CG2-O 2.85Å; I491-F562 HydrophobicContact CB-CB 4.47Å; I491-F562 HydrophobicContact CG1-CB 4.13Å; I491-F562 HydrophobicContact CG2-CB 3.68Å; I491-F562 VanDerWaalsContact O-CD2 3.31Å; I491-F562 WeakPolarHBondContact O-CD2 3.24Å |
| 492 | R | 82.4 | Confident | 58.8 | Low | 140 Ų | 140 | 100.9 Ų | 100.9 | 53% | 0.528 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 0 | 171 | 59.8 | -177.9 | 169.3 | 108.2 | 1 | 109.8 | V511 | R492-V511 HydrophobicContact CG-CB 4.38Å; R492-V511 PolarHBondContact N-O 2.39Å; R492-V511 PolarHBondContact O-N 2.63Å |
| 493 | I | 88 | Confident | 60.5 | Low | 20 Ų | 20 | 99.2 Ų | 99.2 | 10% | 0.103 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 121.1 | 0 | -66.6 | 176.4 | 0 | 0 | 0 | 108.2 | L508 Q509 W523 C551 F562 | I493-L508 HydrophobicContact CG2-CB 4.49Å; I493-L508 HydrophobicContact CG2-CD2 4.19Å; I493-Q509 CarbonylContact C-O 3.34Å; I493-Q509 VanDerWaalsContact CA-O 3.23Å; I493-Q509 WeakPolarHBondContact CA-O 3.41Å; I493-W523 HydrophobicContact CB-CH2 4.27Å; I493-W523 HydrophobicContact CD1-CH2 4.02Å; I493-W523 HydrophobicContact CD1-CZ3 3.75Å; I493-W523 HydrophobicContact CG1-CH2 3.88Å; I493-W523 HydrophobicContact CG1-CZ3 4.17Å; I493-W523 HydrophobicContact CG2-CH2 3.49Å; I493-W523 VanDerWaalsContact CG2-CH2 3.49Å; I493-W523 HydrophobicContact CG2-CZ3 3.93Å; I493-C551 HydrophobicContact CD1-CB 3.75Å; I493-C551 HydrophobicContact CG1-CB 3.68Å; I493-F562 HydrophobicContact CB-CD1 4.23Å; I493-F562 HydrophobicContact CD1-CD1 4.18Å; I493-F562 WeakPolarHBondContact CD1-O 3.05Å; I493-F562 HydrophobicContact CG1-CD1 3.89Å | |
| 494 | I | 82.1 | Confident | 62.4 | Low | 54 Ų | 54 | 97.1 Ų | 97.1 | 28% | 0.277 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 123.6 | 174.8 | -58.8 | 175.8 | 0 | 0 | 0 | 109.4 | L508 Q509 V511 | I494-L508 WeakPolarHBondContact O-CA 3.45Å; I494-Q509 HydrophobicContact CB-CB 4.29Å; I494-Q509 PolarHBondContact N-O 3.41Å; I494-Q509 PolarHBondContact O-N 2.1Å; I494-V511 HydrophobicContact CD1-CB 4.47Å; I494-V511 HydrophobicContact CD1-CG2 3.61Å; I494-V511 HydrophobicContact CG1-CG2 4.2Å |
| 495 | Q | 82.1 | Confident | 64.6 | Low | 40 Ų | 40 | 91.9 Ų | 91.9 | 19% | 0.187 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 128.2 | 177.1 | 172.8 | -172.4 | -26.4 | 0 | 0 | 110.3 | P497 T498 V506 L508 | Q495-P497 WeakPolarHBondContact CG-O 3.06Å; Q495-P497 PolarHBondContact NE2-O 3.41Å; Q495-P497 VanDerWaalsContact NE2-O 3.13Å; Q495-T498 VanDerWaalsContact NE2-C 3.35Å; Q495-T498 PolarHBondContact NE2-O 3.37Å; Q495-T498 PolarHBondContact O-N 3.42Å; Q495-V506 HydrophobicContact CG-CG1 4.19Å; Q495-L508 HydrophobicContact CB-CD2 3.86Å; Q495-L508 HydrophobicContact CG-CD2 4.07Å |
| 496 | S | 60.4 | Low | 66.8 | Low | 67 Ų | 67 | 86.5 Ų | 86.5 | 47% | 0.469 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 119.2 | 178.3 | 175 | 0 | 0 | 0 | 0 | 110.1 | H507 | S496-H507 PolarHBondContact N-O 2.76Å; S496-H507 WeakPolarHBondContact O-CA 3.4Å; S496-H507 VanDerWaalsContact O-CB 3.25Å; S496-H507 WeakPolarHBondContact O-CB 3.33Å; S496-H507 PolarHBondContact O-N 2.44Å |
| 497 | P | 57.7 | Low | 69.3 | Low | 61 Ų | 61 | 81 Ų | 81 | 40% | 0.396 | 39% | 0.39 | S | S | . | . | S | Bend | cis | -83.8 | 0 | 6.2 | 23.9 | -23.8 | 0 | 0 | 0 | 111.6 | Q495 Y499 | Q495-P497 WeakPolarHBondContact CG-O 3.06Å; Q495-P497 PolarHBondContact NE2-O 3.41Å; Q495-P497 VanDerWaalsContact NE2-O 3.13Å; P497-Y499 PolarHBondContact O-N 2.03Å |
| 498 | T | 54.5 | Low | 71.3 | Confident | 104 Ų | 104 | 73 Ų | 73 | 64% | 0.638 | 36% | 0.36 | S | S | * | . | S | Bend | 0 | 0 | 0 | 34.1 | 0 | 0 | 0 | 0 | 110.7 | Q495 | Q495-T498 VanDerWaalsContact NE2-C 3.35Å; Q495-T498 PolarHBondContact NE2-O 3.37Å; Q495-T498 PolarHBondContact O-N 3.42Å | |
| 499 | Y | 56.3 | Low | 72.8 | Confident | 186 Ų | 186 | 69.6 Ų | 69.6 | 73% | 0.729 | 34% | 0.344 | S | S | * | . | S | Bend | 0 | 0 | 0 | -63.6 | -82.8 | 0 | 0 | 0 | 109.6 | P497 | P497-Y499 PolarHBondContact O-N 2.03Š| |
| 500 | F | 66.7 | Low | 73.7 | Confident | 13 Ų | 13 | 68.1 Ų | 68.1 | 6% | 0.057 | 34% | 0.339 | C | S | . | . | 0 | 0 | 0 | 60.7 | -85.5 | 0 | 0 | 0 | 109.3 | D504 V506 F541 I566 I568 | F500-D504 HydrophobicContact CB-CB 3.97Å; F500-V506 HydrophobicContact CB-CG2 3.51Å; F500-V506 HydrophobicContact CD1-CB 4.48Å; F500-V506 HydrophobicContact CD1-CG1 4.12Å; F500-V506 HydrophobicContact CD1-CG2 3.51Å; F500-V506 HydrophobicContact CD2-CB 4.37Å; F500-V506 HydrophobicContact CD2-CG2 2.96Å; F500-V506 HydrophobicContact CE1-CG1 4.03Å; F500-V506 HydrophobicContact CE1-CG2 3.92Å; F500-V506 HydrophobicContact CE2-CG2 3.44Å; F500-V506 VanDerWaalsContact CE2-CG2 3.44Å; F500-V506 HydrophobicContact CG-CB 4.35Å; F500-V506 HydrophobicContact CG-CG1 4.48Å; F500-V506 HydrophobicContact CG-CG2 3.01Å; F500-V506 HydrophobicContact CZ-CG1 4.33Å; F500-V506 HydrophobicContact CZ-CG2 3.89Å; F500-F541 HydrophobicContact CD2-CB 4.11Å; F500-F541 AromaticContact CD2-CD1 3.83Å; F500-F541 HydrophobicContact CD2-CD1 3.83Å; F500-F541 AromaticContact CD2-CD2 3.93Å; F500-F541 HydrophobicContact CD2-CD2 3.93Å; F500-F541 HydrophobicContact CD2-CE1 4.19Å; F500-F541 HydrophobicContact CD2-CE2 4.28Å; F500-F541 AromaticContact CD2-CG 3.69Å; F500-F541 HydrophobicContact CD2-CG 3.69Å; F500-F541 HydrophobicContact CD2-CZ 4.41Å; F500-F541 HydrophobicContact CE2-CB 4.16Å; F500-F541 AromaticContact CE2-CD1 3.18Å; F500-F541 HydrophobicContact CE2-CD1 3.18Å; F500-F541 AromaticContact CE2-CD2 3.24Å; F500-F541 HydrophobicContact CE2-CD2 3.24Å; F500-F541 AromaticContact CE2-CE1 3.12Å; F500-F541 HydrophobicContact CE2-CE1 3.12Å; F500-F541 AromaticContact CE2-CE2 3.18Å; F500-F541 HydrophobicContact CE2-CE2 3.18Å; F500-F541 AromaticContact CE2-CG 3.24Å; F500-F541 HydrophobicContact CE2-CG 3.24Å; F500-F541 AromaticContact CE2-CZ 3.12Å; F500-F541 HydrophobicContact CE2-CZ 3.12Å; F500-F541 HydrophobicContact CZ-CD1 4.27Å; F500-F541 AromaticContact CZ-CD2 3.95Å; F500-F541 HydrophobicContact CZ-CD2 3.95Å; F500-F541 AromaticContact CZ-CE1 3.81Å; F500-F541 HydrophobicContact CZ-CE1 3.81Å; F500-F541 AromaticContact CZ-CE2 3.46Å; F500-F541 HydrophobicContact CZ-CE2 3.46Å; F500-F541 VanDerWaalsContact CZ-CE2 3.46Å; F500-F541 HydrophobicContact CZ-CG 4.33Å; F500-F541 AromaticContact CZ-CZ 3.38Å; F500-F541 HydrophobicContact CZ-CZ 3.38Å; F500-I566 HydrophobicContact CE1-CG2 3.59Å; F500-I566 HydrophobicContact CE2-CG2 4.18Å; F500-I566 HydrophobicContact CZ-CG2 3.05Å; F500-I568 HydrophobicContact CD2-CG1 4.48Å; F500-I568 HydrophobicContact CE2-CG1 3.93Å | |||
| 501 | R | 60 | Low | 74.4 | Confident | 178 Ų | 178 | 65.7 Ų | 65.7 | 67% | 0.672 | 32% | 0.324 | S | S | * | . | 0 | 0 | 0 | -65.9 | -174 | -160.8 | 176.8 | 0.2 | 110.3 | N503 D504 | R501-N503 PolarHBondContact O-N 2.85Å; R501-D504 PolarHBondContact N-OD2 3.14Å; R501-D504 VanDerWaalsContact O-CB 3.29Å; R501-D504 WeakPolarHBondContact O-CB 3.44Å; R501-D504 PolarHBondContact O-N 2.73Å | |||
| 502 | Y | 71.9 | Confident | 74.3 | Confident | 90 Ų | 90 | 65 Ų | 65 | 35% | 0.353 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 125.1 | 0 | -72.6 | -53.1 | 0 | 0 | 0 | 110.9 | F541 P543 V546 I568 | Y502-F541 CarbonylContact C-O 3.48Å; Y502-F541 VanDerWaalsContact CA-O 3.26Å; Y502-F541 WeakPolarHBondContact CA-O 2.99Å; Y502-F541 HydrophobicContact CD1-CD1 4.07Å; Y502-F541 HydrophobicContact CE1-CD1 4.32Å; Y502-F541 HydrophobicContact CE1-CE1 4.45Å; Y502-P543 HydrophobicContact CD1-CG 4.46Å; Y502-P543 VanDerWaalsContact CE1-CA 3.49Å; Y502-P543 HydrophobicContact CE1-CB 4.23Å; Y502-P543 HydrophobicContact CE1-CG 4.09Å; Y502-V546 HydrophobicContact CE1-CG2 4.23Å; Y502-I568 HydrophobicContact CD1-CB 4.39Å; Y502-I568 HydrophobicContact CD1-CD1 2.16Å; Y502-I568 HydrophobicContact CD1-CG1 3.65Å; Y502-I568 HydrophobicContact CD1-CG2 4.48Å; Y502-I568 HydrophobicContact CD2-CD1 3.68Å; Y502-I568 HydrophobicContact CD2-CG2 4.2Å; Y502-I568 HydrophobicContact CE1-CB 3.87Å; Y502-I568 CovalentContact CE1-CD1 1.9Å; Y502-I568 HydrophobicContact CE1-CD1 1.9Å; Y502-I568 HydrophobicContact CE1-CG1 3.34Å; Y502-I568 HydrophobicContact CE1-CG2 4.31Å; Y502-I568 HydrophobicContact CE2-CB 4.28Å; Y502-I568 HydrophobicContact CE2-CD1 3.55Å; Y502-I568 HydrophobicContact CE2-CG2 4.02Å; Y502-I568 HydrophobicContact CG-CD1 3.1Å; Y502-I568 HydrophobicContact CG-CG1 4.37Å; Y502-I568 HydrophobicContact CG-CG2 4.43Å | |
| 503 | N | 61.9 | Low | 73.2 | Confident | 116 Ų | 116 | 61.2 Ų | 61.2 | 62% | 0.62 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.8 | 0 | 172.2 | -77.1 | -13 | 0 | 0 | 0 | 110.2 | R501 F541 | R501-N503 PolarHBondContact O-N 2.85Å; N503-F541 WeakPolarHBondContact CA-O 3.38Å; N503-F541 PolarHBondContact N-O 2.76Å |
| 504 | D | 67.1 | Low | 71.9 | Confident | 71 Ų | 71 | 64.1 Ų | 64.1 | 38% | 0.38 | 34% | 0.336 | S | S | . | . | 0 | 151.8 | 0 | -79.2 | -7.6 | 0 | 0 | 0 | 110.3 | F500 R501 V506 F541 | F500-D504 HydrophobicContact CB-CB 3.97Å; R501-D504 PolarHBondContact N-OD2 3.14Å; R501-D504 VanDerWaalsContact O-CB 3.29Å; R501-D504 WeakPolarHBondContact O-CB 3.44Å; R501-D504 PolarHBondContact O-N 2.73Å; D504-V506 PolarHBondContact O-N 2.79Å; D504-F541 VanDerWaalsContact O-CB 3.28Å; D504-F541 WeakPolarHBondContact O-CB 2.87Å; D504-F541 PolarHBondContact O-N 3.37Å | |||
| 505 | A | 74 | Confident | 71 | Confident | 56 Ų | 56 | 67.7 Ų | 67.7 | 46% | 0.463 | 36% | 0.361 | S | S | . | . | trans | -83 | 116.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110 | I538 E539 | A505-I538 CarbonylContact C-O 3.56Å; A505-I538 WeakPolarHBondContact CA-O 3.11Å; A505-E539 WeakPolarHBondContact CA-O 3.29Å; A505-E539 WeakPolarHBondContact CB-O 3.29Å | ||
| 506 | V | 79.9 | Confident | 70.2 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 0 | -179.2 | 178.5 | 0 | 0 | 0 | 0 | 108.7 | Q495 F500 D504 I538 F541 | Q495-V506 HydrophobicContact CG-CG1 4.19Å; F500-V506 HydrophobicContact CB-CG2 3.51Å; F500-V506 HydrophobicContact CD1-CB 4.48Å; F500-V506 HydrophobicContact CD1-CG1 4.12Å; F500-V506 HydrophobicContact CD1-CG2 3.51Å; F500-V506 HydrophobicContact CD2-CB 4.37Å; F500-V506 HydrophobicContact CD2-CG2 2.96Å; F500-V506 HydrophobicContact CE1-CG1 4.03Å; F500-V506 HydrophobicContact CE1-CG2 3.92Å; F500-V506 HydrophobicContact CE2-CG2 3.44Å; F500-V506 VanDerWaalsContact CE2-CG2 3.44Å; F500-V506 HydrophobicContact CG-CB 4.35Å; F500-V506 HydrophobicContact CG-CG1 4.48Å; F500-V506 HydrophobicContact CG-CG2 3.01Å; F500-V506 HydrophobicContact CZ-CG1 4.33Å; F500-V506 HydrophobicContact CZ-CG2 3.89Å; D504-V506 PolarHBondContact O-N 2.79Å; V506-I538 PolarHBondContact N-O 3Å; V506-I538 PolarHBondContact O-N 3.31Å; V506-F541 HydrophobicContact CB-CD2 4.09Å; V506-F541 HydrophobicContact CG2-CB 4.21Å; V506-F541 HydrophobicContact CG2-CD2 3.72Å; V506-F541 HydrophobicContact CG2-CE2 4.41Å; V506-F541 HydrophobicContact CG2-CG 4.17Å |
| 507 | H | 85.7 | Confident | 70.4 | Confident | 35 Ų | 35 | 68.5 Ų | 68.5 | 16% | 0.162 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 123.8 | 0 | -170.8 | -132.2 | 0 | 0 | 0 | 109.5 | S496 Q509 D535 | S496-H507 PolarHBondContact N-O 2.76Å; S496-H507 WeakPolarHBondContact O-CA 3.4Å; S496-H507 VanDerWaalsContact O-CB 3.25Å; S496-H507 WeakPolarHBondContact O-CB 3.33Å; S496-H507 PolarHBondContact O-N 2.44Å; H507-Q509 WeakPolarHBondContact CE1-CG 2.86Å; H507-Q509 PolarHBondContact CE1-NE2 2.43Å; H507-D535 WeakPolarHBondContact NE2-CB 3.3Å; H507-D535 IonicContact NE2-OD2 3.85Å; H507-D535 PolarHBondContact NE2-OD2 2.66Å | |
| 508 | L | 86.1 | Confident | 70.7 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 0 | 176.1 | -62.8 | 172 | 0 | 0 | 0 | 110.1 | I493 I494 Q495 W523 D535 I536 Y549 I566 | I493-L508 HydrophobicContact CG2-CB 4.49Å; I493-L508 HydrophobicContact CG2-CD2 4.19Å; I494-L508 WeakPolarHBondContact O-CA 3.45Å; Q495-L508 HydrophobicContact CB-CD2 3.86Å; Q495-L508 HydrophobicContact CG-CD2 4.07Å; L508-W523 HydrophobicContact CB-CH2 3.53Å; L508-W523 HydrophobicContact CB-CZ2 4.12Å; L508-W523 HydrophobicContact CB-CZ3 3.85Å; L508-W523 HydrophobicContact CD1-CZ3 4.09Å; L508-D535 CarbonylContact O-C 3.58Å; L508-D535 VanDerWaalsContact O-CA 3.22Å; L508-D535 WeakPolarHBondContact O-CA 3.08Å; L508-I536 PolarHBondContact N-O 3.16Å; L508-I536 PolarHBondContact O-N 3.18Å; L508-Y549 HydrophobicContact CD1-CD1 3.46Å; L508-Y549 VanDerWaalsContact CD1-CD1 3.46Å; L508-Y549 HydrophobicContact CD1-CD2 4.2Å; L508-Y549 HydrophobicContact CD1-CE1 3.77Å; L508-Y549 HydrophobicContact CD1-CE2 4.47Å; L508-Y549 HydrophobicContact CD1-CG 3.69Å; L508-I566 HydrophobicContact CD1-CD1 2.96Å; L508-I566 HydrophobicContact CD1-CG1 4.46Å; L508-I566 HydrophobicContact CD2-CD1 3.11Å; L508-I566 HydrophobicContact CD2-CG1 4.23Å; L508-I566 HydrophobicContact CG-CD1 3.54Å |
| 509 | Q | 87.1 | Confident | 71.8 | Confident | 81 Ų | 81 | 68.6 Ų | 68.6 | 38% | 0.379 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 133.1 | 0 | -82.8 | 176.6 | -19.2 | 0 | 0 | 109.3 | I493 I494 H507 V511 D535 | I493-Q509 CarbonylContact C-O 3.34Å; I493-Q509 VanDerWaalsContact CA-O 3.23Å; I493-Q509 WeakPolarHBondContact CA-O 3.41Å; I494-Q509 HydrophobicContact CB-CB 4.29Å; I494-Q509 PolarHBondContact N-O 3.41Å; I494-Q509 PolarHBondContact O-N 2.1Å; H507-Q509 WeakPolarHBondContact CE1-CG 2.86Å; H507-Q509 PolarHBondContact CE1-NE2 2.43Å; Q509-V511 HydrophobicContact CB-CG2 4.44Å; Q509-D535 HydrophobicContact CG-CB 3.92Å | |
| 510 | C | 91.2 | Very high | 73.2 | Confident | 6 Ų | 6 | 62.9 Ų | 62.9 | 4% | 0.041 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 0 | 175.9 | -171.4 | 0 | 0 | 0 | 0 | 109.2 | I491 Y521 W523 A534 C551 | I491-C510 VanDerWaalsContact CD1-SG 3.56Å; C510-Y521 HydrophobicContact CB-CD1 3.91Å; C510-Y521 HydrophobicContact CB-CE1 4.17Å; C510-W523 HydrophobicContact CB-CH2 4.43Å; C510-W523 HydrophobicContact CB-CZ2 3.57Å; C510-A534 WeakPolarHBondContact CB-O 3.33Å; C510-A534 PolarHBondContact N-O 3.14Å; C510-C551 HydrophobicContact CB-CB 3.78Å; C510-C551 WeakPolarHBondContact CB-SG 3.14Å; C510-C551 WeakPolarHBondContact SG-CB 3.47Å; C510-C551 CovalentContact SG-SG 1.57Å; C510-C551 PolarHBondContact SG-SG 3.2Å |
| 511 | V | 83.9 | Confident | 74.3 | Confident | 44 Ų | 44 | 63.9 Ų | 63.9 | 27% | 0.267 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -178.5 | 0 | 0 | 0 | 0 | 108.1 | I491 R492 I494 Q509 | I491-V511 CarbonylContact C-O 3.37Å; I491-V511 WeakPolarHBondContact CA-O 3.4Å; R492-V511 HydrophobicContact CG-CB 4.38Å; R492-V511 PolarHBondContact N-O 2.39Å; R492-V511 PolarHBondContact O-N 2.63Å; I494-V511 HydrophobicContact CD1-CB 4.47Å; I494-V511 HydrophobicContact CD1-CG2 3.61Å; I494-V511 HydrophobicContact CG1-CG2 4.2Å; Q509-V511 HydrophobicContact CB-CG2 4.44Å | |
| 512 | V | 81.3 | Confident | 75.7 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.018 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 120.7 | 0 | -179.9 | 0 | 0 | 0 | 0 | 108.8 | Y489 T490 I491 P514 T515 P516 V519 Y521 A553 L560 | Y489-V512 HydrophobicContact CD1-CG1 3.96Å; Y489-V512 HydrophobicContact CG-CG1 4.27Å; T490-V512 CarbonylContact O-C 3.34Å; T490-V512 VanDerWaalsContact O-CA 3.25Å; T490-V512 WeakPolarHBondContact O-CA 3.14Å; I491-V512 HydrophobicContact CB-CG2 4.43Å; I491-V512 HydrophobicContact CD1-CG2 4.34Å; I491-V512 HydrophobicContact CG1-CG2 4.18Å; V512-P514 CarbonylContact O-C 3.55Å; V512-T515 WeakPolarHBondContact O-CA 3.41Å; V512-T515 PolarHBondContact O-N 3.42Å; V512-P516 HydrophobicContact CB-CG 4.06Å; V512-P516 HydrophobicContact CG1-CG 3.58Å; V512-V519 HydrophobicContact CG2-CG2 4.5Å; V512-Y521 HydrophobicContact CG2-CE1 3.94Å; V512-A553 HydrophobicContact CG2-CB 3.44Å; V512-A553 VanDerWaalsContact CG2-CB 3.44Å; V512-L560 HydrophobicContact CG1-CD1 3.8Å | |
| 513 | S | 59.3 | Low | 76.5 | Confident | 60 Ų | 60 | 52.9 Ų | 52.9 | 42% | 0.42 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 139.2 | 179.3 | 175.2 | 0 | 0 | 0 | 0 | 109.4 | T490 | T490-S513 PolarHBondContact N-O 3.34Å; T490-S513 PolarHBondContact O-N 2.82Å; T490-S513 PolarHBondContact OG1-O 3.14Å |
| 514 | P | 61.6 | Low | 77.9 | Confident | 81 Ų | 81 | 49.4 Ų | 49.4 | 53% | 0.526 | 29% | 0.291 | S | S | . | . | S | Bend | cis | -69.6 | 0 | -6.6 | 18.5 | -16.2 | 0 | 0 | 0 | 111.6 | Y489 V512 P516 | Y489-P514 WeakPolarHBondContact CD1-O 3.48Å; V512-P514 CarbonylContact O-C 3.55Å; P514-P516 WeakPolarHBondContact O-CD 3.22Å |
| 515 | T | 62.8 | Low | 78.7 | Confident | 130 Ų | 130 | 47.6 Ų | 47.6 | 80% | 0.798 | 28% | 0.28 | S | S | * | . | 0 | 0 | 0 | -40.9 | 0 | 0 | 0 | 0 | 110 | V512 | V512-T515 WeakPolarHBondContact O-CA 3.41Å; V512-T515 PolarHBondContact O-N 3.42Å | |||
| 516 | P | 65.8 | Low | 78.6 | Confident | 11 Ų | 11 | 49.4 Ų | 49.4 | 7% | 0.071 | 28% | 0.282 | C | S | . | . | 0 | 0 | 0 | 6.4 | -4.3 | 0 | 0 | 0 | 112.1 | Y489 V512 P514 L518 V519 L555 | Y489-P516 HydrophobicContact CD1-CB 4.23Å; Y489-P516 HydrophobicContact CD1-CG 4.05Å; Y489-P516 HydrophobicContact CE1-CB 3.64Å; Y489-P516 HydrophobicContact CE1-CG 3.96Å; V512-P516 HydrophobicContact CB-CG 4.06Å; V512-P516 HydrophobicContact CG1-CG 3.58Å; P514-P516 WeakPolarHBondContact O-CD 3.22Å; P516-L518 VanDerWaalsContact C-N 3.28Å; P516-L518 PolarHBondContact O-N 2.95Å; P516-V519 HydrophobicContact CB-CB 4.27Å; P516-V519 HydrophobicContact CG-CB 3.84Å; P516-V519 HydrophobicContact CG-CG1 4.26Å; P516-V519 HydrophobicContact CG-CG2 4.27Å; P516-L555 HydrophobicContact CB-CD2 3.15Å; P516-L555 HydrophobicContact CB-CG 4.36Å; P516-L555 HydrophobicContact CG-CD2 3.48Å; P516-L555 VanDerWaalsContact CG-CD2 3.48Å; P516-L555 HydrophobicContact CG-CG 4.39Å | |||
| 517 | P | 64.6 | Low | 78.3 | Confident | 113 Ų | 113 | 52.3 Ų | 52.3 | 73% | 0.734 | 31% | 0.311 | S | S | * | . | S | Bend | 0 | 0 | 0 | 8.9 | -10.8 | 0 | 0 | 0 | 111.8 | |||
| 518 | L | 63.5 | Low | 77.8 | Confident | 132 Ų | 132 | 53.2 Ų | 53.2 | 69% | 0.691 | 32% | 0.319 | S | S | * | . | S | Bend | 0 | 107.9 | 0 | -95.7 | 130.3 | 0 | 0 | 0 | 109.2 | P516 | P516-L518 VanDerWaalsContact C-N 3.28Å; P516-L518 PolarHBondContact O-N 2.95Å | |
| 519 | V | 78.3 | Confident | 77.7 | Confident | 35 Ų | 35 | 56.6 Ų | 56.6 | 21% | 0.212 | 34% | 0.337 | C | S | . | . | trans | -135.9 | 127.5 | -179.9 | 65.9 | 0 | 0 | 0 | 0 | 108.4 | V512 P516 Y521 A553 L555 | V512-V519 HydrophobicContact CG2-CG2 4.5Å; P516-V519 HydrophobicContact CB-CB 4.27Å; P516-V519 HydrophobicContact CG-CB 3.84Å; P516-V519 HydrophobicContact CG-CG1 4.26Å; P516-V519 HydrophobicContact CG-CG2 4.27Å; V519-Y521 HydrophobicContact CB-CE2 4.49Å; V519-Y521 HydrophobicContact CG1-CD2 4.28Å; V519-Y521 HydrophobicContact CG1-CE1 4.33Å; V519-Y521 HydrophobicContact CG1-CE2 3.34Å; V519-Y521 WeakPolarHBondContact CG1-OH 3.26Å; V519-Y521 HydrophobicContact CG2-CE1 4.27Å; V519-Y521 HydrophobicContact CG2-CE2 4.45Å; V519-A553 HydrophobicContact CG2-CB 3.52Å; V519-L555 HydrophobicContact CG2-CG 4.18Å | ||
| 520 | S | 84.3 | Confident | 77.5 | Confident | 65 Ų | 65 | 56 Ų | 56 | 46% | 0.455 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 0 | 171.9 | 59.2 | 0 | 0 | 0 | 0 | 110.4 | A553 R554 | S520-A553 CarbonylContact O-C 3.43Å; S520-A553 VanDerWaalsContact O-CA 3.28Å; S520-A553 WeakPolarHBondContact O-CA 3.46Å; S520-R554 PolarHBondContact N-O 1.99Å; S520-R554 PolarHBondContact O-N 3.41Å; S520-R554 VanDerWaalsContact OG-CB 3.23Å; S520-R554 WeakPolarHBondContact OG-CB 2.87Å; S520-R554 PolarHBondContact OG-O 3.38Å |
| 521 | Y | 89.3 | Confident | 77.2 | Confident | 35 Ų | 35 | 56.7 Ų | 56.7 | 14% | 0.137 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 139.7 | 0 | -63.1 | -85 | 0 | 0 | 0 | 109.5 | C510 V512 V519 R532 A534 V552 A553 | C510-Y521 HydrophobicContact CB-CD1 3.91Å; C510-Y521 HydrophobicContact CB-CE1 4.17Å; V512-Y521 HydrophobicContact CG2-CE1 3.94Å; V519-Y521 HydrophobicContact CB-CE2 4.49Å; V519-Y521 HydrophobicContact CG1-CD2 4.28Å; V519-Y521 HydrophobicContact CG1-CE1 4.33Å; V519-Y521 HydrophobicContact CG1-CE2 3.34Å; V519-Y521 WeakPolarHBondContact CG1-OH 3.26Å; V519-Y521 HydrophobicContact CG2-CE1 4.27Å; V519-Y521 HydrophobicContact CG2-CE2 4.45Å; Y521-R532 CarbonylContact O-C 3.53Å; Y521-R532 WeakPolarHBondContact O-CA 3.48Å; Y521-R532 WeakPolarHBondContact O-CB 3.43Å; Y521-A534 HydrophobicContact CD1-CB 4.41Å; Y521-A534 HydrophobicContact CD2-CB 3.57Å; Y521-A534 HydrophobicContact CE1-CB 4.36Å; Y521-A534 HydrophobicContact CE2-CB 3.5Å; Y521-A534 HydrophobicContact CG-CB 4.04Å; Y521-V552 CarbonylContact C-O 3.34Å; Y521-V552 VanDerWaalsContact CA-O 3.24Å; Y521-V552 WeakPolarHBondContact CA-O 3.21Å; Y521-A553 HydrophobicContact CD1-CB 4.03Å; Y521-A553 HydrophobicContact CE1-CB 3.99Å | |
| 522 | E | 89.8 | Confident | 77.4 | Confident | 37 Ų | 37 | 63 Ų | 63 | 17% | 0.173 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 131.8 | 170.1 | -69.6 | 179 | 165 | 0 | 0 | 109.7 | F524 L529 G531 R532 C551 V552 R554 | E522-F524 HydrophobicContact CB-CE2 3.77Å; E522-F524 HydrophobicContact CB-CZ 4.35Å; E522-L529 HydrophobicContact CB-CD1 3.66Å; E522-L529 HydrophobicContact CG-CD1 4.11Å; E522-G531 CarbonylContact C-O 3.01Å; E522-G531 WeakPolarHBondContact CA-O 3.42Å; E522-R532 HydrophobicContact CG-CG 4.39Å; E522-C551 CarbonylContact O-C 3.43Å; E522-C551 WeakPolarHBondContact O-CA 3.24Å; E522-V552 HydrophobicContact CB-CB 4.1Å; E522-V552 PolarHBondContact N-O 3.37Å; E522-V552 PolarHBondContact O-N 2.72Å; E522-R554 IonicContact OE1-NE 3.25Å; E522-R554 IonicContact OE2-NE 3.88Å; E522-R554 PolarHBondContact OE2-NE 3.08Å; E522-R554 IonicContact OE2-NH2 3.47Å |
| 523 | W | 90.1 | Very high | 77.5 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 134.9 | 177.4 | -79.5 | 88.4 | 0 | 0 | 0 | 109.6 | I493 L508 C510 L529 I530 G531 Q533 A534 I536 Y549 Q550 C551 | I493-W523 HydrophobicContact CB-CH2 4.27Å; I493-W523 HydrophobicContact CD1-CH2 4.02Å; I493-W523 HydrophobicContact CD1-CZ3 3.75Å; I493-W523 HydrophobicContact CG1-CH2 3.88Å; I493-W523 HydrophobicContact CG1-CZ3 4.17Å; I493-W523 HydrophobicContact CG2-CH2 3.49Å; I493-W523 VanDerWaalsContact CG2-CH2 3.49Å; I493-W523 HydrophobicContact CG2-CZ3 3.93Å; L508-W523 HydrophobicContact CB-CH2 3.53Å; L508-W523 HydrophobicContact CB-CZ2 4.12Å; L508-W523 HydrophobicContact CB-CZ3 3.85Å; L508-W523 HydrophobicContact CD1-CZ3 4.09Å; C510-W523 HydrophobicContact CB-CH2 4.43Å; C510-W523 HydrophobicContact CB-CZ2 3.57Å; W523-L529 CarbonylContact O-C 3.6Å; W523-L529 WeakPolarHBondContact O-CA 3.4Å; W523-L529 VanDerWaalsContact O-CD1 3.29Å; W523-L529 WeakPolarHBondContact O-CD1 3.1Å; W523-I530 HydrophobicContact CB-CD1 4.05Å; W523-I530 HydrophobicContact CB-CG1 3.57Å; W523-I530 WeakPolarHBondContact O-CG1 3.05Å; W523-I530 PolarHBondContact O-N 3.08Å; W523-G531 PolarHBondContact N-O 3.29Å; W523-Q533 PolarHBondContact NE1-O 2.97Å; W523-A534 PolarHBondContact NE1-O 3.14Å; W523-I536 HydrophobicContact CB-CD1 2.68Å; W523-I536 HydrophobicContact CB-CG1 3.95Å; W523-I536 HydrophobicContact CD2-CD1 3.15Å; W523-I536 HydrophobicContact CD2-CG1 3.86Å; W523-I536 HydrophobicContact CE3-CD1 3.8Å; W523-I536 HydrophobicContact CG-CD1 2.61Å; W523-I536 HydrophobicContact CG-CG1 3.46Å; W523-I536 VanDerWaalsContact CG-CG1 3.46Å; W523-Y549 HydrophobicContact CE3-CD1 4.35Å; W523-Q550 CarbonylContact C-O 3.55Å; W523-Q550 WeakPolarHBondContact CA-O 3.37Å; W523-C551 HydrophobicContact CD2-CB 4.33Å; W523-C551 HydrophobicContact CE3-CB 4.32Å; W523-C551 HydrophobicContact CH2-CB 4.15Å; W523-C551 HydrophobicContact CZ2-CB 4.18Å; W523-C551 HydrophobicContact CZ3-CB 4.23Å |
| 524 | F | 91.3 | Very high | 78.6 | Confident | 42 Ų | 42 | 68.1 Ų | 68.1 | 18% | 0.184 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 132.4 | 174.6 | -64.2 | -96.6 | 0 | 0 | 0 | 109.9 | E522 V528 L529 Y549 Q550 V552 | E522-F524 HydrophobicContact CB-CE2 3.77Å; E522-F524 HydrophobicContact CB-CZ 4.35Å; F524-V528 CarbonylContact C-O 3.58Å; F524-V528 VanDerWaalsContact C-O 3.27Å; F524-V528 WeakPolarHBondContact CA-O 2.87Å; F524-L529 HydrophobicContact CD1-CB 4.13Å; F524-L529 HydrophobicContact CD1-CD1 4.48Å; F524-L529 HydrophobicContact CD2-CD1 4.48Å; F524-L529 HydrophobicContact CE1-CB 3.89Å; F524-L529 HydrophobicContact CE1-CD1 4.03Å; F524-L529 HydrophobicContact CE2-CD1 4.03Å; F524-L529 HydrophobicContact CZ-CB 4.49Å; F524-L529 HydrophobicContact CZ-CD1 3.8Å; F524-Y549 CarbonylContact O-C 3.44Å; F524-Y549 VanDerWaalsContact O-C 3.22Å; F524-Y549 WeakPolarHBondContact O-CA 2.93Å; F524-Q550 HydrophobicContact CB-CB 3.81Å; F524-Q550 HydrophobicContact CD2-CB 4.48Å; F524-Q550 PolarHBondContact N-O 3.44Å; F524-Q550 PolarHBondContact O-N 3.07Å; F524-V552 HydrophobicContact CD2-CG2 3.88Å; F524-V552 HydrophobicContact CE2-CB 4.28Å; F524-V552 HydrophobicContact CE2-CG2 3.66Å |
| 525 | K | 83.7 | Confident | 79.4 | Confident | 33 Ų | 33 | 67.4 Ų | 67.4 | 14% | 0.143 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 0 | 169.6 | -177.4 | -170.4 | 175.6 | -136.9 | 0 | 109.7 | G527 V528 I530 D544 D545 R548 Y549 | K525-G527 PolarHBondContact O-N 3.38Å; K525-V528 PolarHBondContact N-O 2.58Å; K525-V528 VanDerWaalsContact O-CB 3.32Å; K525-V528 WeakPolarHBondContact O-CB 3.5Å; K525-V528 PolarHBondContact O-N 2.5Å; K525-I530 HydrophobicContact CB-CD1 3.96Å; K525-I530 HydrophobicContact CB-CG1 4.48Å; K525-I530 HydrophobicContact CB-CG2 3.75Å; K525-D544 WeakPolarHBondContact CE-O 3.43Å; K525-D544 PolarHBondContact NZ-O 1.23Å; K525-D545 WeakPolarHBondContact CE-O 3.19Å; K525-R548 CarbonylContact C-O 3.6Å; K525-R548 VanDerWaalsContact CA-O 3.29Å; K525-R548 WeakPolarHBondContact CA-O 2.84Å; K525-Y549 HydrophobicContact CB-CD1 4.11Å; K525-Y549 HydrophobicContact CB-CE1 3.91Å; K525-Y549 HydrophobicContact CD-CE1 3.99Å; K525-Y549 HydrophobicContact CD-CE2 4.17Å; K525-Y549 VanDerWaalsContact CD-OH 3.28Å; K525-Y549 WeakPolarHBondContact CD-OH 2.02Å; K525-Y549 WeakPolarHBondContact CE-OH 3.04Å; K525-Y549 HydrophobicContact CG-CD1 4.36Å; K525-Y549 HydrophobicContact CG-CD2 4.36Å; K525-Y549 HydrophobicContact CG-CE1 3.92Å; K525-Y549 HydrophobicContact CG-CE2 3.91Å |
| 526 | D | 71.7 | Confident | 80.6 | Confident | 94 Ų | 94 | 62.3 Ų | 62.3 | 50% | 0.503 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -62.4 | -36.5 | 0 | 0 | 0 | 110.2 | G547 R548 | D526-G547 VanDerWaalsContact OD1-CA 3.24Å; D526-G547 WeakPolarHBondContact OD1-CA 3.21Å; D526-R548 PolarHBondContact N-O 2.03Å; D526-R548 PolarHBondContact OD1-N 3.49Å | |
| 527 | G | 72.8 | Confident | 81.5 | Confident | 61 Ų | 61 | 70.5 Ų | 70.5 | 63% | 0.629 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.7 | K525 | K525-G527 PolarHBondContact O-N 3.38Š| |
| 528 | V | 74.9 | Confident | 82.4 | Confident | 54 Ų | 54 | 66 Ų | 66 | 33% | 0.327 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | 177.7 | 0 | 0 | 0 | 0 | 108.6 | F524 K525 I530 D1366 | F524-V528 CarbonylContact C-O 3.58Å; F524-V528 VanDerWaalsContact C-O 3.27Å; F524-V528 WeakPolarHBondContact CA-O 2.87Å; K525-V528 PolarHBondContact N-O 2.58Å; K525-V528 VanDerWaalsContact O-CB 3.32Å; K525-V528 WeakPolarHBondContact O-CB 3.5Å; K525-V528 PolarHBondContact O-N 2.5Å; V528-I530 PolarHBondContact O-N 3.25Å; V528-D1366 WeakPolarHBondContact CG1-O 3.36Å; V528-D1366 VanDerWaalsContact CG2-O 3.23Å; V528-D1366 WeakPolarHBondContact CG2-O 3.09Å | |
| 529 | L | 84.4 | Confident | 83.1 | Confident | 71 Ų | 71 | 66.2 Ų | 66.2 | 37% | 0.372 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 117.2 | 0 | -179.7 | 75.2 | 0 | 0 | 0 | 110.6 | E522 W523 F524 | E522-L529 HydrophobicContact CB-CD1 3.66Å; E522-L529 HydrophobicContact CG-CD1 4.11Å; W523-L529 CarbonylContact O-C 3.6Å; W523-L529 WeakPolarHBondContact O-CA 3.4Å; W523-L529 VanDerWaalsContact O-CD1 3.29Å; W523-L529 WeakPolarHBondContact O-CD1 3.1Å; F524-L529 HydrophobicContact CD1-CB 4.13Å; F524-L529 HydrophobicContact CD1-CD1 4.48Å; F524-L529 HydrophobicContact CD2-CD1 4.48Å; F524-L529 HydrophobicContact CE1-CB 3.89Å; F524-L529 HydrophobicContact CE1-CD1 4.03Å; F524-L529 HydrophobicContact CE2-CD1 4.03Å; F524-L529 HydrophobicContact CZ-CB 4.49Å; F524-L529 HydrophobicContact CZ-CD1 3.8Å | |
| 530 | I | 83.8 | Confident | 83.1 | Confident | 69 Ų | 69 | 74 Ų | 74 | 35% | 0.354 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | -7.1 | -173.5 | 50.9 | 167.5 | 0 | 0 | 0 | 108.8 | W523 K525 V528 I536 Y549 | W523-I530 HydrophobicContact CB-CD1 4.05Å; W523-I530 HydrophobicContact CB-CG1 3.57Å; W523-I530 WeakPolarHBondContact O-CG1 3.05Å; W523-I530 PolarHBondContact O-N 3.08Å; K525-I530 HydrophobicContact CB-CD1 3.96Å; K525-I530 HydrophobicContact CB-CG1 4.48Å; K525-I530 HydrophobicContact CB-CG2 3.75Å; V528-I530 PolarHBondContact O-N 3.25Å; I530-I536 HydrophobicContact CD1-CD1 3.41Å; I530-I536 VanDerWaalsContact CD1-CD1 3.41Å; I530-I536 HydrophobicContact CD1-CG2 4.39Å; I530-I536 HydrophobicContact CG1-CD1 3.54Å; I530-Y549 HydrophobicContact CD1-CD1 3.52Å; I530-Y549 HydrophobicContact CD1-CE1 3.36Å |
| 531 | G | 84.4 | Confident | 82.7 | Confident | 21 Ų | 21 | 71 Ų | 71 | 22% | 0.216 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.4 | 155.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | E522 W523 | E522-G531 CarbonylContact C-O 3.01Å; E522-G531 WeakPolarHBondContact CA-O 3.42Å; W523-G531 PolarHBondContact N-O 3.29Å |
| 532 | R | 88.2 | Confident | 82.1 | Confident | 176 Ų | 176 | 71 Ų | 71 | 66% | 0.664 | 35% | 0.352 | S | S | * | . | trans | -120 | 18 | -177.4 | -71.7 | -176.3 | 175.7 | -177.5 | 2.3 | 110.1 | Y521 E522 | Y521-R532 CarbonylContact O-C 3.53Å; Y521-R532 WeakPolarHBondContact O-CA 3.48Å; Y521-R532 WeakPolarHBondContact O-CB 3.43Å; E522-R532 HydrophobicContact CG-CG 4.39Å | ||
| 533 | Q | 83.6 | Confident | 81.1 | Confident | 136 Ų | 136 | 73.2 Ų | 73.2 | 64% | 0.636 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -98.8 | 153.9 | 177.7 | -65.5 | 179.4 | -39.5 | 0 | 0 | 109.7 | W523 D535 | W523-Q533 PolarHBondContact NE1-O 2.97Å; Q533-D535 WeakPolarHBondContact CB-O 3.27Å; Q533-D535 PolarHBondContact O-N 1.17Å; Q533-D535 VanDerWaalsContact O-N 3.17Å |
| 534 | A | 81.4 | Confident | 80.1 | Confident | 34 Ų | 34 | 79.3 Ų | 79.3 | 28% | 0.281 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -61.3 | -19.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | C510 Y521 W523 | C510-A534 WeakPolarHBondContact CB-O 3.33Å; C510-A534 PolarHBondContact N-O 3.14Å; Y521-A534 HydrophobicContact CD1-CB 4.41Å; Y521-A534 HydrophobicContact CD2-CB 3.57Å; Y521-A534 HydrophobicContact CE1-CB 4.36Å; Y521-A534 HydrophobicContact CE2-CB 3.5Å; Y521-A534 HydrophobicContact CG-CB 4.04Å; W523-A534 PolarHBondContact NE1-O 3.14Å |
| 535 | D | 79.7 | Confident | 79.7 | Confident | 67 Ų | 67 | 79 Ų | 79 | 36% | 0.358 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 138.2 | 179.4 | 53.1 | -58.3 | 0 | 0 | 0 | 110 | H507 L508 Q509 Q533 | H507-D535 WeakPolarHBondContact NE2-CB 3.3Å; H507-D535 IonicContact NE2-OD2 3.85Å; H507-D535 PolarHBondContact NE2-OD2 2.66Å; L508-D535 CarbonylContact O-C 3.58Å; L508-D535 VanDerWaalsContact O-CA 3.22Å; L508-D535 WeakPolarHBondContact O-CA 3.08Å; Q509-D535 HydrophobicContact CG-CB 3.92Å; Q533-D535 WeakPolarHBondContact CB-O 3.27Å; Q533-D535 PolarHBondContact O-N 1.17Å; Q533-D535 VanDerWaalsContact O-N 3.17Å |
| 536 | I | 87.1 | Confident | 79.4 | Confident | 22 Ų | 22 | 79.8 Ų | 79.8 | 11% | 0.113 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 0 | 173.2 | -64 | 174.8 | 0 | 0 | 0 | 108.9 | L508 W523 I530 | L508-I536 PolarHBondContact N-O 3.16Å; L508-I536 PolarHBondContact O-N 3.18Å; W523-I536 HydrophobicContact CB-CD1 2.68Å; W523-I536 HydrophobicContact CB-CG1 3.95Å; W523-I536 HydrophobicContact CD2-CD1 3.15Å; W523-I536 HydrophobicContact CD2-CG1 3.86Å; W523-I536 HydrophobicContact CE3-CD1 3.8Å; W523-I536 HydrophobicContact CG-CD1 2.61Å; W523-I536 HydrophobicContact CG-CG1 3.46Å; W523-I536 VanDerWaalsContact CG-CG1 3.46Å; I530-I536 HydrophobicContact CD1-CD1 3.41Å; I530-I536 VanDerWaalsContact CD1-CD1 3.41Å; I530-I536 HydrophobicContact CD1-CG2 4.39Å; I530-I536 HydrophobicContact CG1-CD1 3.54Å |
| 537 | R | 85 | Confident | 79.8 | Confident | 183 Ų | 183 | 75.8 Ų | 75.8 | 69% | 0.691 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | 0 | 120.7 | 0 | -142.2 | 175.7 | -154.3 | -179.8 | -0.9 | 109.8 | |||
| 538 | I | 82.5 | Confident | 80.4 | Confident | 19 Ų | 19 | 79.5 Ų | 79.5 | 10% | 0.097 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 108.6 | 171.6 | -58.6 | 169.6 | 0 | 0 | 0 | 109.3 | A505 V506 F541 Y549 | A505-I538 CarbonylContact C-O 3.56Å; A505-I538 WeakPolarHBondContact CA-O 3.11Å; V506-I538 PolarHBondContact N-O 3Å; V506-I538 PolarHBondContact O-N 3.31Å; I538-F541 HydrophobicContact CD1-CD2 3.97Å; I538-F541 HydrophobicContact CD1-CE2 4Å; I538-F541 HydrophobicContact CG2-CB 4.38Å; I538-F541 HydrophobicContact CG2-CD2 4.09Å; I538-Y549 HydrophobicContact CD1-CE1 4.34Å; I538-Y549 WeakPolarHBondContact CD1-OH 2.99Å |
| 539 | E | 79.6 | Confident | 81.1 | Confident | 137 Ų | 137 | 77.1 Ų | 77.1 | 64% | 0.64 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -73.7 | -35.9 | -169.7 | -68.4 | -92.3 | 163.5 | 0 | 0 | 110.7 | A505 | A505-E539 WeakPolarHBondContact CA-O 3.29Å; A505-E539 WeakPolarHBondContact CB-O 3.29Å |
| 540 | R | 77 | Confident | 81.4 | Confident | 199 Ų | 199 | 76.2 Ų | 76.2 | 75% | 0.751 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -135.4 | 106.1 | 173.9 | -76.8 | -174.2 | -156.3 | -162.3 | -0.4 | 109.4 | S542 | R540-S542 PolarHBondContact O-N 3.21Š|
| 541 | F | 77.2 | Confident | 81.7 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 35% | 0.347 | C | S | . | . | trans | -72.2 | 0 | -177.4 | -161 | -94 | 0 | 0 | 0 | 110.7 | F500 Y502 N503 D504 V506 I538 D545 V546 I566 I568 | F500-F541 HydrophobicContact CD2-CB 4.11Å; F500-F541 AromaticContact CD2-CD1 3.83Å; F500-F541 HydrophobicContact CD2-CD1 3.83Å; F500-F541 AromaticContact CD2-CD2 3.93Å; F500-F541 HydrophobicContact CD2-CD2 3.93Å; F500-F541 HydrophobicContact CD2-CE1 4.19Å; F500-F541 HydrophobicContact CD2-CE2 4.28Å; F500-F541 AromaticContact CD2-CG 3.69Å; F500-F541 HydrophobicContact CD2-CG 3.69Å; F500-F541 HydrophobicContact CD2-CZ 4.41Å; F500-F541 HydrophobicContact CE2-CB 4.16Å; F500-F541 AromaticContact CE2-CD1 3.18Å; F500-F541 HydrophobicContact CE2-CD1 3.18Å; F500-F541 AromaticContact CE2-CD2 3.24Å; F500-F541 HydrophobicContact CE2-CD2 3.24Å; F500-F541 AromaticContact CE2-CE1 3.12Å; F500-F541 HydrophobicContact CE2-CE1 3.12Å; F500-F541 AromaticContact CE2-CE2 3.18Å; F500-F541 HydrophobicContact CE2-CE2 3.18Å; F500-F541 AromaticContact CE2-CG 3.24Å; F500-F541 HydrophobicContact CE2-CG 3.24Å; F500-F541 AromaticContact CE2-CZ 3.12Å; F500-F541 HydrophobicContact CE2-CZ 3.12Å; F500-F541 HydrophobicContact CZ-CD1 4.27Å; F500-F541 AromaticContact CZ-CD2 3.95Å; F500-F541 HydrophobicContact CZ-CD2 3.95Å; F500-F541 AromaticContact CZ-CE1 3.81Å; F500-F541 HydrophobicContact CZ-CE1 3.81Å; F500-F541 AromaticContact CZ-CE2 3.46Å; F500-F541 HydrophobicContact CZ-CE2 3.46Å; F500-F541 VanDerWaalsContact CZ-CE2 3.46Å; F500-F541 HydrophobicContact CZ-CG 4.33Å; F500-F541 AromaticContact CZ-CZ 3.38Å; F500-F541 HydrophobicContact CZ-CZ 3.38Å; Y502-F541 CarbonylContact C-O 3.48Å; Y502-F541 VanDerWaalsContact CA-O 3.26Å; Y502-F541 WeakPolarHBondContact CA-O 2.99Å; Y502-F541 HydrophobicContact CD1-CD1 4.07Å; Y502-F541 HydrophobicContact CE1-CD1 4.32Å; Y502-F541 HydrophobicContact CE1-CE1 4.45Å; N503-F541 WeakPolarHBondContact CA-O 3.38Å; N503-F541 PolarHBondContact N-O 2.76Å; D504-F541 VanDerWaalsContact O-CB 3.28Å; D504-F541 WeakPolarHBondContact O-CB 2.87Å; D504-F541 PolarHBondContact O-N 3.37Å; V506-F541 HydrophobicContact CB-CD2 4.09Å; V506-F541 HydrophobicContact CG2-CB 4.21Å; V506-F541 HydrophobicContact CG2-CD2 3.72Å; V506-F541 HydrophobicContact CG2-CE2 4.41Å; V506-F541 HydrophobicContact CG2-CG 4.17Å; I538-F541 HydrophobicContact CD1-CD2 3.97Å; I538-F541 HydrophobicContact CD1-CE2 4Å; I538-F541 HydrophobicContact CG2-CB 4.38Å; I538-F541 HydrophobicContact CG2-CD2 4.09Å; F541-D545 WeakPolarHBondContact CA-OD2 3.37Å; F541-D545 HydrophobicContact CD1-CB 4.3Å; F541-D545 HydrophobicContact CD2-CB 3.84Å; F541-D545 HydrophobicContact CE1-CB 4.15Å; F541-D545 HydrophobicContact CE2-CB 3.67Å; F541-D545 HydrophobicContact CG-CB 4.16Å; F541-D545 HydrophobicContact CZ-CB 3.83Å; F541-V546 HydrophobicContact CE1-CG2 3.97Å; F541-V546 HydrophobicContact CZ-CG2 4.46Å; F541-I566 HydrophobicContact CE2-CG2 3.85Å; F541-I566 HydrophobicContact CZ-CG2 3.67Å; F541-I568 HydrophobicContact CD1-CD1 3.02Å; F541-I568 HydrophobicContact CD1-CG1 3.22Å; F541-I568 HydrophobicContact CE1-CB 4.38Å; F541-I568 HydrophobicContact CE1-CD1 3.11Å; F541-I568 HydrophobicContact CE1-CG1 2.95Å; F541-I568 HydrophobicContact CG-CD1 4.35Å; F541-I568 HydrophobicContact CZ-CD1 4.49Å; F541-I568 HydrophobicContact CZ-CG1 4.12Å | ||
| 542 | S | 75.8 | Confident | 81.9 | Confident | 36 Ų | 36 | 72.2 Ų | 72.2 | 25% | 0.252 | 34% | 0.339 | S | S | . | . | 0 | 156.8 | 0 | 114.2 | 0 | 0 | 0 | 0 | 109.5 | R540 D544 D545 | R540-S542 PolarHBondContact O-N 3.21Å; S542-D544 PolarHBondContact O-N 2.93Å; S542-D544 PolarHBondContact OG-N 2.84Å; S542-D544 VanDerWaalsContact OG-N 3.09Å; S542-D545 PolarHBondContact N-OD2 3.44Å; S542-D545 WeakPolarHBondContact O-CA 2.74Å; S542-D545 WeakPolarHBondContact O-CB 3.48Å; S542-D545 PolarHBondContact O-N 3.2Å | |||
| 543 | P | 67.9 | Low | 81.8 | Confident | 83 Ų | 83 | 63.8 Ų | 63.8 | 54% | 0.539 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -46.3 | -24.6 | -179.4 | -20.3 | 25.5 | 0 | 0 | 0 | 111.8 | Y502 D545 V546 | Y502-P543 HydrophobicContact CD1-CG 4.46Å; Y502-P543 VanDerWaalsContact CE1-CA 3.49Å; Y502-P543 HydrophobicContact CE1-CB 4.23Å; Y502-P543 HydrophobicContact CE1-CG 4.09Å; P543-D545 PolarHBondContact O-N 3.12Å; P543-V546 PolarHBondContact O-N 2.98Å |
| 544 | D | 70.8 | Confident | 81.8 | Confident | 128 Ų | 128 | 62.8 Ų | 62.8 | 68% | 0.684 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -77.1 | 0 | -179.9 | -66.1 | -31 | 0 | 0 | 0 | 110.7 | K525 S542 | K525-D544 WeakPolarHBondContact CE-O 3.43Å; K525-D544 PolarHBondContact NZ-O 1.23Å; S542-D544 PolarHBondContact O-N 2.93Å; S542-D544 PolarHBondContact OG-N 2.84Å; S542-D544 VanDerWaalsContact OG-N 3.09Å |
| 545 | D | 82.4 | Confident | 81.5 | Confident | 35 Ų | 35 | 62 Ų | 62 | 19% | 0.187 | 29% | 0.288 | C | S | . | . | G | 310 helix | 0 | 0 | 0 | -66.9 | -41.7 | 0 | 0 | 0 | 109.3 | K525 F541 S542 P543 Y549 | K525-D545 WeakPolarHBondContact CE-O 3.19Å; F541-D545 WeakPolarHBondContact CA-OD2 3.37Å; F541-D545 HydrophobicContact CD1-CB 4.3Å; F541-D545 HydrophobicContact CD2-CB 3.84Å; F541-D545 HydrophobicContact CE1-CB 4.15Å; F541-D545 HydrophobicContact CE2-CB 3.67Å; F541-D545 HydrophobicContact CG-CB 4.16Å; F541-D545 HydrophobicContact CZ-CB 3.83Å; S542-D545 PolarHBondContact N-OD2 3.44Å; S542-D545 WeakPolarHBondContact O-CA 2.74Å; S542-D545 WeakPolarHBondContact O-CB 3.48Å; S542-D545 PolarHBondContact O-N 3.2Å; P543-D545 PolarHBondContact O-N 3.12Å; D545-Y549 VanDerWaalsContact O-CE2 3.26Å; D545-Y549 WeakPolarHBondContact O-CE2 3.3Å; D545-Y549 PolarHBondContact O-OH 3.32Å | |
| 546 | V | 77.4 | Confident | 80.8 | Confident | 51 Ų | 51 | 66.4 Ų | 66.4 | 31% | 0.309 | 31% | 0.312 | S | S | . | . | 0 | 130.8 | 0 | 174.6 | 0 | 0 | 0 | 0 | 108.7 | Y502 F541 P543 I568 | Y502-V546 HydrophobicContact CE1-CG2 4.23Å; F541-V546 HydrophobicContact CE1-CG2 3.97Å; F541-V546 HydrophobicContact CZ-CG2 4.46Å; P543-V546 PolarHBondContact O-N 2.98Å; V546-I568 HydrophobicContact CG2-CD1 4.1Å; V546-I568 HydrophobicContact CG2-CG1 4.19Å | |||
| 547 | G | 79.6 | Confident | 79.6 | Confident | 9 Ų | 9 | 71.4 Ų | 71.4 | 9% | 0.093 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 156.5 | 177 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | D526 Y549 I566 | D526-G547 VanDerWaalsContact OD1-CA 3.24Å; D526-G547 WeakPolarHBondContact OD1-CA 3.21Å; G547-Y549 WeakPolarHBondContact O-CD2 3.21Å; G547-I566 PolarHBondContact N-O 2.93Å; G547-I566 PolarHBondContact O-N 2.71Å |
| 548 | R | 85 | Confident | 78.4 | Confident | 139 Ų | 139 | 66.1 Ų | 66.1 | 53% | 0.525 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 0 | -176.6 | -175.4 | -174.2 | -79.2 | -130.4 | 0.3 | 110.9 | K525 D526 N563 S564 | K525-R548 CarbonylContact C-O 3.6Å; K525-R548 VanDerWaalsContact CA-O 3.29Å; K525-R548 WeakPolarHBondContact CA-O 2.84Å; D526-R548 PolarHBondContact N-O 2.03Å; D526-R548 PolarHBondContact OD1-N 3.49Å; R548-N563 HydrophobicContact CG-CB 4.33Å; R548-S564 CarbonylContact C-O 3.49Å |
| 549 | Y | 89.9 | Confident | 78.2 | Confident | 4 Ų | 4 | 68.6 Ų | 68.6 | 2% | 0.016 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 121.2 | 0 | -75.3 | -99.6 | 0 | 0 | 0 | 109.7 | L508 W523 F524 K525 I530 I538 D545 G547 N563 S564 I566 | L508-Y549 HydrophobicContact CD1-CD1 3.46Å; L508-Y549 VanDerWaalsContact CD1-CD1 3.46Å; L508-Y549 HydrophobicContact CD1-CD2 4.2Å; L508-Y549 HydrophobicContact CD1-CE1 3.77Å; L508-Y549 HydrophobicContact CD1-CE2 4.47Å; L508-Y549 HydrophobicContact CD1-CG 3.69Å; W523-Y549 HydrophobicContact CE3-CD1 4.35Å; F524-Y549 CarbonylContact O-C 3.44Å; F524-Y549 VanDerWaalsContact O-C 3.22Å; F524-Y549 WeakPolarHBondContact O-CA 2.93Å; K525-Y549 HydrophobicContact CB-CD1 4.11Å; K525-Y549 HydrophobicContact CB-CE1 3.91Å; K525-Y549 HydrophobicContact CD-CE1 3.99Å; K525-Y549 HydrophobicContact CD-CE2 4.17Å; K525-Y549 VanDerWaalsContact CD-OH 3.28Å; K525-Y549 WeakPolarHBondContact CD-OH 2.02Å; K525-Y549 WeakPolarHBondContact CE-OH 3.04Å; K525-Y549 HydrophobicContact CG-CD1 4.36Å; K525-Y549 HydrophobicContact CG-CD2 4.36Å; K525-Y549 HydrophobicContact CG-CE1 3.92Å; K525-Y549 HydrophobicContact CG-CE2 3.91Å; I530-Y549 HydrophobicContact CD1-CD1 3.52Å; I530-Y549 HydrophobicContact CD1-CE1 3.36Å; I538-Y549 HydrophobicContact CD1-CE1 4.34Å; I538-Y549 WeakPolarHBondContact CD1-OH 2.99Å; D545-Y549 VanDerWaalsContact O-CE2 3.26Å; D545-Y549 WeakPolarHBondContact O-CE2 3.3Å; D545-Y549 PolarHBondContact O-OH 3.32Å; G547-Y549 WeakPolarHBondContact O-CD2 3.21Å; Y549-N563 CarbonylContact O-C 2.86Å; Y549-N563 WeakPolarHBondContact O-CA 2.65Å; Y549-S564 WeakPolarHBondContact CA-O 3.25Å; Y549-S564 PolarHBondContact N-O 3.15Å; Y549-S564 PolarHBondContact O-N 2.81Å; Y549-S564 VanDerWaalsContact O-O 3.06Å; Y549-I566 HydrophobicContact CD1-CD1 4.43Å; Y549-I566 HydrophobicContact CD2-CB 3.82Å; Y549-I566 HydrophobicContact CD2-CD1 3.3Å; Y549-I566 HydrophobicContact CD2-CG1 3.6Å; Y549-I566 HydrophobicContact CE2-CB 3.84Å; Y549-I566 HydrophobicContact CE2-CD1 3.61Å; Y549-I566 HydrophobicContact CE2-CG1 4.06Å; Y549-I566 HydrophobicContact CG-CD1 3.77Å; Y549-I566 HydrophobicContact CG-CG1 4.36Å | |
| 550 | Q | 90.2 | Very high | 78.3 | Confident | 52 Ų | 52 | 62.7 Ų | 62.7 | 24% | 0.243 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 127.1 | 179.4 | -177.1 | 179.8 | 38 | 0 | 0 | 110.7 | W523 F524 V552 F562 N563 | W523-Q550 CarbonylContact C-O 3.55Å; W523-Q550 WeakPolarHBondContact CA-O 3.37Å; F524-Q550 HydrophobicContact CB-CB 3.81Å; F524-Q550 HydrophobicContact CD2-CB 4.48Å; F524-Q550 PolarHBondContact N-O 3.44Å; F524-Q550 PolarHBondContact O-N 3.07Å; Q550-V552 HydrophobicContact CG-CG2 4.09Å; Q550-F562 WeakPolarHBondContact CA-O 3.48Å; Q550-N563 WeakPolarHBondContact CB-OD1 3.36Å; Q550-N563 WeakPolarHBondContact CG-OD1 3.03Å; Q550-N563 PolarHBondContact NE2-OD1 3.37Å |
| 551 | C | 90.9 | Very high | 78.5 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 125.5 | 176 | 172.9 | 0 | 0 | 0 | 0 | 109.2 | I493 C510 E522 W523 T561 F562 | I493-C551 HydrophobicContact CD1-CB 3.75Å; I493-C551 HydrophobicContact CG1-CB 3.68Å; C510-C551 HydrophobicContact CB-CB 3.78Å; C510-C551 WeakPolarHBondContact CB-SG 3.14Å; C510-C551 WeakPolarHBondContact SG-CB 3.47Å; C510-C551 CovalentContact SG-SG 1.57Å; C510-C551 PolarHBondContact SG-SG 3.2Å; E522-C551 CarbonylContact O-C 3.43Å; E522-C551 WeakPolarHBondContact O-CA 3.24Å; W523-C551 HydrophobicContact CD2-CB 4.33Å; W523-C551 HydrophobicContact CE3-CB 4.32Å; W523-C551 HydrophobicContact CH2-CB 4.15Å; W523-C551 HydrophobicContact CZ2-CB 4.18Å; W523-C551 HydrophobicContact CZ3-CB 4.23Å; C551-T561 WeakPolarHBondContact O-CA 2.58Å; C551-F562 PolarHBondContact N-O 2.97Å; C551-F562 PolarHBondContact O-N 2.67Å |
| 552 | V | 89.1 | Confident | 79 | Confident | 6 Ų | 6 | 61 Ų | 61 | 4% | 0.036 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 117.6 | 179.6 | -179.9 | 0 | 0 | 0 | 0 | 108.4 | Y521 E522 F524 Q550 R554 V559 L560 T561 | Y521-V552 CarbonylContact C-O 3.34Å; Y521-V552 VanDerWaalsContact CA-O 3.24Å; Y521-V552 WeakPolarHBondContact CA-O 3.21Å; E522-V552 HydrophobicContact CB-CB 4.1Å; E522-V552 PolarHBondContact N-O 3.37Å; E522-V552 PolarHBondContact O-N 2.72Å; F524-V552 HydrophobicContact CD2-CG2 3.88Å; F524-V552 HydrophobicContact CE2-CB 4.28Å; F524-V552 HydrophobicContact CE2-CG2 3.66Å; Q550-V552 HydrophobicContact CG-CG2 4.09Å; V552-R554 HydrophobicContact CG1-CG 4.11Å; V552-V559 HydrophobicContact CG1-CG1 3.44Å; V552-V559 VanDerWaalsContact CG1-CG1 3.44Å; V552-L560 CarbonylContact C-O 3.52Å; V552-L560 WeakPolarHBondContact CA-O 3.29Å; V552-T561 HydrophobicContact CB-CG2 3.99Å; V552-T561 HydrophobicContact CG1-CG2 3.62Å; V552-T561 HydrophobicContact CG2-CG2 3.51Å |
| 553 | A | 85.8 | Confident | 79.4 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 117.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | I491 V512 V519 S520 Y521 L560 | I491-A553 HydrophobicContact CD1-CB 3.65Å; V512-A553 HydrophobicContact CG2-CB 3.44Å; V512-A553 VanDerWaalsContact CG2-CB 3.44Å; V519-A553 HydrophobicContact CG2-CB 3.52Å; S520-A553 CarbonylContact O-C 3.43Å; S520-A553 VanDerWaalsContact O-CA 3.28Å; S520-A553 WeakPolarHBondContact O-CA 3.46Å; Y521-A553 HydrophobicContact CD1-CB 4.03Å; Y521-A553 HydrophobicContact CE1-CB 3.99Å; A553-L560 HydrophobicContact CB-CB 4.5Å; A553-L560 PolarHBondContact N-O 2.28Å; A553-L560 PolarHBondContact O-N 2.55Å |
| 554 | R | 83.9 | Confident | 79.8 | Confident | 114 Ų | 114 | 60 Ų | 60 | 43% | 0.43 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 113.8 | -176.7 | -71.8 | -176 | -176.3 | -93.2 | 1.2 | 109.7 | S520 E522 V552 V559 | S520-R554 PolarHBondContact N-O 1.99Å; S520-R554 PolarHBondContact O-N 3.41Å; S520-R554 VanDerWaalsContact OG-CB 3.23Å; S520-R554 WeakPolarHBondContact OG-CB 2.87Å; S520-R554 PolarHBondContact OG-O 3.38Å; E522-R554 IonicContact OE1-NE 3.25Å; E522-R554 IonicContact OE2-NE 3.88Å; E522-R554 PolarHBondContact OE2-NE 3.08Å; E522-R554 IonicContact OE2-NH2 3.47Å; V552-R554 HydrophobicContact CG1-CG 4.11Å; R554-V559 HydrophobicContact CG-CG1 4.14Å; R554-V559 HydrophobicContact CG-CG2 4.15Å |
| 555 | L | 74.9 | Confident | 80.2 | Confident | 17 Ų | 17 | 58.4 Ų | 58.4 | 9% | 0.089 | 31% | 0.311 | C | S | . | . | trans | -100.5 | 0 | 172.3 | -61.9 | 109 | 0 | 0 | 0 | 110.1 | Y489 P516 V519 S557 M558 L560 | Y489-L555 HydrophobicContact CD1-CD2 4.09Å; Y489-L555 HydrophobicContact CD2-CD1 4.31Å; Y489-L555 HydrophobicContact CD2-CD2 3.71Å; Y489-L555 HydrophobicContact CE1-CD2 3.97Å; Y489-L555 HydrophobicContact CE2-CD2 3.57Å; Y489-L555 HydrophobicContact CG-CD1 4.42Å; Y489-L555 HydrophobicContact CG-CD2 3.96Å; P516-L555 HydrophobicContact CB-CD2 3.15Å; P516-L555 HydrophobicContact CB-CG 4.36Å; P516-L555 HydrophobicContact CG-CD2 3.48Å; P516-L555 VanDerWaalsContact CG-CD2 3.48Å; P516-L555 HydrophobicContact CG-CG 4.39Å; V519-L555 HydrophobicContact CG2-CG 4.18Å; L555-S557 PolarHBondContact O-N 2.84Å; L555-M558 CarbonylContact C-O 3.35Å; L555-M558 WeakPolarHBondContact CA-O 2.99Å; L555-M558 HydrophobicContact CB-CB 4.39Å; L555-M558 WeakPolarHBondContact CB-O 3.12Å; L555-M558 HydrophobicContact CD1-CB 4.43Å; L555-M558 PolarHBondContact N-O 2.61Å; L555-M558 PolarHBondContact O-N 2.51Å; L555-M558 VanDerWaalsContact O-N 3.14Å; L555-M558 VanDerWaalsContact O-O 3.1Å; L555-L560 HydrophobicContact CD1-CD1 3.38Å; L555-L560 HydrophobicContact CD1-CG 3.74Å | ||
| 556 | D | 64.9 | Low | 79.9 | Confident | 161 Ų | 161 | 56.8 Ų | 56.8 | 86% | 0.861 | 30% | 0.303 | S | S | * | . | S | Bend | 0 | 0 | 0 | -85.2 | -14.9 | 0 | 0 | 0 | 111 | |||
| 557 | S | 62 | Low | 79 | Confident | 126 Ų | 126 | 58.2 Ų | 58.2 | 88% | 0.881 | 32% | 0.315 | S | S | * | . | S | Bend | 0 | 0 | 0 | 39.3 | 0 | 0 | 0 | 0 | 110.3 | L555 | L555-S557 PolarHBondContact O-N 2.84Š| |
| 558 | M | 59.3 | Low | 77.7 | Confident | 72 Ų | 72 | 58.8 Ų | 58.8 | 36% | 0.355 | 32% | 0.315 | S | S | . | . | 0 | 131.4 | 0 | -174.9 | 177.4 | 179.2 | 0 | 0 | 109.5 | Y489 L555 L560 | Y489-M558 HydrophobicContact CD2-SD 4.37Å; L555-M558 CarbonylContact C-O 3.35Å; L555-M558 WeakPolarHBondContact CA-O 2.99Å; L555-M558 HydrophobicContact CB-CB 4.39Å; L555-M558 WeakPolarHBondContact CB-O 3.12Å; L555-M558 HydrophobicContact CD1-CB 4.43Å; L555-M558 PolarHBondContact N-O 2.61Å; L555-M558 PolarHBondContact O-N 2.51Å; L555-M558 VanDerWaalsContact O-N 3.14Å; L555-M558 VanDerWaalsContact O-O 3.1Å; M558-L560 HydrophobicContact CE-CD2 2.86Å; M558-L560 HydrophobicContact CE-CG 4Å; M558-L560 HydrophobicContact CG-CD2 4.03Å; M558-L560 HydrophobicContact CG-CG 4.2Å; M558-L560 HydrophobicContact SD-CD2 3.69Å; M558-L560 HydrophobicContact SD-CG 4.21Å | |||
| 559 | V | 79.3 | Confident | 75.7 | Confident | 72 Ų | 72 | 56.5 Ų | 56.5 | 44% | 0.436 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 113.7 | 175 | -179.7 | 0 | 0 | 0 | 0 | 108.6 | V552 R554 T561 | V552-V559 HydrophobicContact CG1-CG1 3.44Å; V552-V559 VanDerWaalsContact CG1-CG1 3.44Å; R554-V559 HydrophobicContact CG-CG1 4.14Å; R554-V559 HydrophobicContact CG-CG2 4.15Å; V559-T561 HydrophobicContact CG1-CG2 3.96Å |
| 560 | L | 80.2 | Confident | 73.1 | Confident | 13 Ų | 13 | 61.1 Ų | 61.1 | 7% | 0.068 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 126.4 | 176.9 | -61.2 | 167.6 | 0 | 0 | 0 | 110.5 | Y489 I491 V512 V552 A553 L555 M558 | Y489-L560 HydrophobicContact CG-CD1 3.99Å; Y489-L560 WeakPolarHBondContact O-CD2 3.41Å; I491-L560 HydrophobicContact CB-CB 3.87Å; I491-L560 HydrophobicContact CD1-CB 4.14Å; I491-L560 VanDerWaalsContact CD1-O 3.28Å; I491-L560 WeakPolarHBondContact CD1-O 3.3Å; I491-L560 HydrophobicContact CG2-CB 3.86Å; V512-L560 HydrophobicContact CG1-CD1 3.8Å; V552-L560 CarbonylContact C-O 3.52Å; V552-L560 WeakPolarHBondContact CA-O 3.29Å; A553-L560 HydrophobicContact CB-CB 4.5Å; A553-L560 PolarHBondContact N-O 2.28Å; A553-L560 PolarHBondContact O-N 2.55Å; L555-L560 HydrophobicContact CD1-CD1 3.38Å; L555-L560 HydrophobicContact CD1-CG 3.74Å; M558-L560 HydrophobicContact CE-CD2 2.86Å; M558-L560 HydrophobicContact CE-CG 4Å; M558-L560 HydrophobicContact CG-CD2 4.03Å; M558-L560 HydrophobicContact CG-CG 4.2Å; M558-L560 HydrophobicContact SD-CD2 3.69Å; M558-L560 HydrophobicContact SD-CG 4.21Å |
| 561 | T | 83 | Confident | 70.3 | Confident | 77 Ų | 77 | 61.4 Ų | 61.4 | 47% | 0.472 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 0 | -177.4 | 50.8 | 0 | 0 | 0 | 0 | 109 | I491 C551 V552 V559 | I491-T561 WeakPolarHBondContact CG2-O 2.85Å; C551-T561 WeakPolarHBondContact O-CA 2.58Å; V552-T561 HydrophobicContact CB-CG2 3.99Å; V552-T561 HydrophobicContact CG1-CG2 3.62Å; V552-T561 HydrophobicContact CG2-CG2 3.51Å; V559-T561 HydrophobicContact CG1-CG2 3.96Å |
| 562 | F | 86 | Confident | 67.7 | Low | 87 Ų | 87 | 65.3 Ų | 65.3 | 38% | 0.382 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 131.7 | 0 | -164.6 | -97.5 | 0 | 0 | 0 | 109.4 | I491 I493 Q550 C551 | I491-F562 HydrophobicContact CB-CB 4.47Å; I491-F562 HydrophobicContact CG1-CB 4.13Å; I491-F562 HydrophobicContact CG2-CB 3.68Å; I491-F562 VanDerWaalsContact O-CD2 3.31Å; I491-F562 WeakPolarHBondContact O-CD2 3.24Å; I493-F562 HydrophobicContact CB-CD1 4.23Å; I493-F562 HydrophobicContact CD1-CD1 4.18Å; I493-F562 WeakPolarHBondContact CD1-O 3.05Å; I493-F562 HydrophobicContact CG1-CD1 3.89Å; Q550-F562 WeakPolarHBondContact CA-O 3.48Å; C551-F562 PolarHBondContact N-O 2.97Å; C551-F562 PolarHBondContact O-N 2.67Å | |
| 563 | N | 85.7 | Confident | 65.2 | Low | 66 Ų | 66 | 66.7 Ų | 66.7 | 35% | 0.353 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 136.4 | -179.6 | -61.3 | -29.4 | 0 | 0 | 0 | 110.3 | R548 Y549 Q550 | R548-N563 HydrophobicContact CG-CB 4.33Å; Y549-N563 CarbonylContact O-C 2.86Å; Y549-N563 WeakPolarHBondContact O-CA 2.65Å; Q550-N563 WeakPolarHBondContact CB-OD1 3.36Å; Q550-N563 WeakPolarHBondContact CG-OD1 3.03Å; Q550-N563 PolarHBondContact NE2-OD1 3.37Å |
| 564 | S | 76.2 | Confident | 63.4 | Low | 32 Ų | 32 | 68.4 Ų | 68.4 | 22% | 0.224 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 124.5 | 173.9 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | R548 Y549 | R548-S564 CarbonylContact C-O 3.49Å; Y549-S564 WeakPolarHBondContact CA-O 3.25Å; Y549-S564 PolarHBondContact N-O 3.15Å; Y549-S564 PolarHBondContact O-N 2.81Å; Y549-S564 VanDerWaalsContact O-O 3.06Å |
| 565 | T | 78.4 | Confident | 62.1 | Low | 93 Ų | 93 | 63.6 Ų | 63.6 | 57% | 0.571 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 0 | 176.6 | -47.4 | 0 | 0 | 0 | 0 | 110.1 | ||
| 566 | I | 75.4 | Confident | 61.7 | Low | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.01 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 116.7 | 0 | -61.3 | 178.3 | 0 | 0 | 0 | 108.8 | F500 L508 F541 G547 Y549 | F500-I566 HydrophobicContact CE1-CG2 3.59Å; F500-I566 HydrophobicContact CE2-CG2 4.18Å; F500-I566 HydrophobicContact CZ-CG2 3.05Å; L508-I566 HydrophobicContact CD1-CD1 2.96Å; L508-I566 HydrophobicContact CD1-CG1 4.46Å; L508-I566 HydrophobicContact CD2-CD1 3.11Å; L508-I566 HydrophobicContact CD2-CG1 4.23Å; L508-I566 HydrophobicContact CG-CD1 3.54Å; F541-I566 HydrophobicContact CE2-CG2 3.85Å; F541-I566 HydrophobicContact CZ-CG2 3.67Å; G547-I566 PolarHBondContact N-O 2.93Å; G547-I566 PolarHBondContact O-N 2.71Å; Y549-I566 HydrophobicContact CD1-CD1 4.43Å; Y549-I566 HydrophobicContact CD2-CB 3.82Å; Y549-I566 HydrophobicContact CD2-CD1 3.3Å; Y549-I566 HydrophobicContact CD2-CG1 3.6Å; Y549-I566 HydrophobicContact CE2-CB 3.84Å; Y549-I566 HydrophobicContact CE2-CD1 3.61Å; Y549-I566 HydrophobicContact CE2-CG1 4.06Å; Y549-I566 HydrophobicContact CG-CD1 3.77Å; Y549-I566 HydrophobicContact CG-CG1 4.36Å | |
| 567 | S | 60.1 | Low | 62.2 | Low | 81 Ų | 81 | 57.2 Ų | 57.2 | 57% | 0.566 | 35% | 0.354 | S | S | * | . | trans | -122.9 | 0 | 176.4 | 63.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 568 | I | 51.2 | Low | 62.9 | Low | 20 Ų | 20 | 51.3 Ų | 51.3 | 10% | 0.103 | 31% | 0.312 | C | S | . | . | 0 | 116.5 | 0 | -71.2 | 164.6 | 0 | 0 | 0 | 108.6 | F500 Y502 F541 V546 D570 | F500-I568 HydrophobicContact CD2-CG1 4.48Å; F500-I568 HydrophobicContact CE2-CG1 3.93Å; Y502-I568 HydrophobicContact CD1-CB 4.39Å; Y502-I568 HydrophobicContact CD1-CD1 2.16Å; Y502-I568 HydrophobicContact CD1-CG1 3.65Å; Y502-I568 HydrophobicContact CD1-CG2 4.48Å; Y502-I568 HydrophobicContact CD2-CD1 3.68Å; Y502-I568 HydrophobicContact CD2-CG2 4.2Å; Y502-I568 HydrophobicContact CE1-CB 3.87Å; Y502-I568 CovalentContact CE1-CD1 1.9Å; Y502-I568 HydrophobicContact CE1-CD1 1.9Å; Y502-I568 HydrophobicContact CE1-CG1 3.34Å; Y502-I568 HydrophobicContact CE1-CG2 4.31Å; Y502-I568 HydrophobicContact CE2-CB 4.28Å; Y502-I568 HydrophobicContact CE2-CD1 3.55Å; Y502-I568 HydrophobicContact CE2-CG2 4.02Å; Y502-I568 HydrophobicContact CG-CD1 3.1Å; Y502-I568 HydrophobicContact CG-CG1 4.37Å; Y502-I568 HydrophobicContact CG-CG2 4.43Å; F541-I568 HydrophobicContact CD1-CD1 3.02Å; F541-I568 HydrophobicContact CD1-CG1 3.22Å; F541-I568 HydrophobicContact CE1-CB 4.38Å; F541-I568 HydrophobicContact CE1-CD1 3.11Å; F541-I568 HydrophobicContact CE1-CG1 2.95Å; F541-I568 HydrophobicContact CG-CD1 4.35Å; F541-I568 HydrophobicContact CZ-CD1 4.49Å; F541-I568 HydrophobicContact CZ-CG1 4.12Å; V546-I568 HydrophobicContact CG2-CD1 4.1Å; V546-I568 HydrophobicContact CG2-CG1 4.19Å; I568-D570 VanDerWaalsContact C-N 3.27Å; I568-D570 PolarHBondContact O-N 2.81Å | |||
| 569 | D | 43.8 | Very low | 63.4 | Low | 92 Ų | 92 | 55.6 Ų | 55.6 | 49% | 0.492 | 32% | 0.324 | S | S | . | . | trans | -70.8 | 0 | 168.7 | -161.3 | 9.6 | 0 | 0 | 0 | 111.1 | G571 | D569-G571 PolarHBondContact O-N 2.8Š| ||
| 570 | D | 35.3 | Very low | 62.9 | Low | 100 Ų | 100 | 55.2 Ų | 55.2 | 54% | 0.535 | 32% | 0.323 | S | S | . | . | 0 | 45.3 | 0 | -83.1 | -9.9 | 0 | 0 | 0 | 111.1 | I568 T572 | I568-D570 VanDerWaalsContact C-N 3.27Å; I568-D570 PolarHBondContact O-N 2.81Å; D570-T572 VanDerWaalsContact C-CA 3.43Å; D570-T572 HydrophobicContact CB-CG2 4.42Å; D570-T572 VanDerWaalsContact CB-OG1 3.23Å; D570-T572 WeakPolarHBondContact CB-OG1 3.27Å; D570-T572 WeakPolarHBondContact O-CA 1.91Å; D570-T572 WeakPolarHBondContact O-CB 3.42Å; D570-T572 WeakPolarHBondContact O-CG2 3.23Å; D570-T572 CovalentContact O-N 1.57Å; D570-T572 PolarHBondContact O-N 3.46Å; D570-T572 PolarHBondContact O-OG1 2.53Å; D570-T572 VanDerWaalsContact O-OG1 3.06Å | |||
| 571 | G | 31.8 | Very low | 61.8 | Low | 58 Ų | 58 | 59.3 Ų | 59.3 | 60% | 0.598 | 35% | 0.345 | S | S | * | . | S | Bend | trans | 19 | 0 | 159.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D569 G573 | D569-G571 PolarHBondContact O-N 2.8Å; G571-G573 PolarHBondContact O-N 3.2Å |
| 572 | T | 35.4 | Very low | 60.9 | Low | 82 Ų | 82 | 60.6 Ų | 60.6 | 50% | 0.503 | 35% | 0.348 | S | S | . | . | S | Bend | 0 | 53 | 0 | 49.9 | 0 | 0 | 0 | 0 | 108.7 | D570 V574 | D570-T572 VanDerWaalsContact C-CA 3.43Å; D570-T572 HydrophobicContact CB-CG2 4.42Å; D570-T572 VanDerWaalsContact CB-OG1 3.23Å; D570-T572 WeakPolarHBondContact CB-OG1 3.27Å; D570-T572 WeakPolarHBondContact O-CA 1.91Å; D570-T572 WeakPolarHBondContact O-CB 3.42Å; D570-T572 WeakPolarHBondContact O-CG2 3.23Å; D570-T572 CovalentContact O-N 1.57Å; D570-T572 PolarHBondContact O-N 3.46Å; D570-T572 PolarHBondContact O-OG1 2.53Å; D570-T572 VanDerWaalsContact O-OG1 3.06Å; T572-V574 WeakPolarHBondContact O-CA 3.29Å; T572-V574 WeakPolarHBondContact O-CG2 2.82Å; T572-V574 PolarHBondContact O-N 3.03Å; T572-V574 WeakPolarHBondContact OG1-CG2 3.31Å | |
| 573 | G | 35.8 | Very low | 60.4 | Low | 35 Ų | 35 | 56.9 Ų | 56.9 | 36% | 0.361 | 33% | 0.332 | S | S | . | . | trans | 19.5 | 0 | 156 | 0 | 0 | 0 | 0 | 0 | 112.1 | G571 D575 N655 | G571-G573 PolarHBondContact O-N 3.2Å; G573-D575 PolarHBondContact O-N 2.52Å; G573-D575 VanDerWaalsContact O-N 3.09Å; G573-N655 PolarHBondContact O-ND2 2.96Å | ||
| 574 | V | 49.5 | Very low | 60.1 | Low | 37 Ų | 37 | 60.1 Ų | 60.1 | 22% | 0.224 | 34% | 0.34 | C | S | . | . | 0 | 67.6 | 0 | -171.1 | 0 | 0 | 0 | 0 | 108.3 | T572 L576 I598 N655 | T572-V574 WeakPolarHBondContact O-CA 3.29Å; T572-V574 WeakPolarHBondContact O-CG2 2.82Å; T572-V574 PolarHBondContact O-N 3.03Å; T572-V574 WeakPolarHBondContact OG1-CG2 3.31Å; V574-L576 WeakPolarHBondContact CG1-O 3.42Å; V574-L576 PolarHBondContact O-N 3.28Å; V574-I598 WeakPolarHBondContact O-CD1 1.62Å; V574-I598 WeakPolarHBondContact O-CG1 3.38Å; V574-N655 WeakPolarHBondContact CA-ND2 3.03Å | |||
| 575 | D | 56.3 | Low | 60.3 | Low | 13 Ų | 13 | 59.7 Ų | 59.7 | 7% | 0.07 | 34% | 0.335 | C | S | . | . | trans | -52.4 | 0 | 166 | -64.6 | -33.4 | 0 | 0 | 0 | 111.2 | G573 S597 I598 R599 L651 L654 N655 | G573-D575 PolarHBondContact O-N 2.52Å; G573-D575 VanDerWaalsContact O-N 3.09Å; D575-S597 CarbonylContact O-C 3.41Å; D575-S597 VanDerWaalsContact O-C 3.29Å; D575-S597 WeakPolarHBondContact O-CA 3.46Å; D575-S597 PolarHBondContact O-OG 3.42Å; D575-I598 HydrophobicContact CB-CG1 4.12Å; D575-I598 VanDerWaalsContact N-CD1 3.3Å; D575-I598 WeakPolarHBondContact O-CG1 2.8Å; D575-I598 PolarHBondContact O-N 3.06Å; D575-R599 HydrophobicContact CB-CB 4.18Å; D575-R599 HydrophobicContact CB-CG 3.5Å; D575-R599 VanDerWaalsContact CB-CG 3.5Å; D575-R599 VanDerWaalsContact CB-NE 3.32Å; D575-R599 WeakPolarHBondContact OD1-CD 3.34Å; D575-R599 WeakPolarHBondContact OD1-CG 3.34Å; D575-R599 IonicContact OD1-CZ 2.68Å; D575-R599 IonicContact OD1-NE 3.47Å; D575-R599 PolarHBondContact OD1-NE 3.03Å; D575-R599 IonicContact OD1-NH2 3.95Å; D575-R599 PolarHBondContact OD1-NH2 3.19Å; D575-R599 WeakPolarHBondContact OD2-CD 3.3Å; D575-R599 IonicContact OD2-CZ 3.31Å; D575-R599 CovalentContact OD2-NE 1.68Å; D575-R599 IonicContact OD2-NE 3.16Å; D575-R599 PolarHBondContact OD2-NE 2.7Å; D575-R599 IonicContact OD2-NH1 2.46Å; D575-R599 PolarHBondContact OD2-NH1 3.1Å; D575-R599 IonicContact OD2-NH2 3.34Å; D575-R599 PolarHBondContact OD2-NH2 2.71Å; D575-L651 HydrophobicContact CB-CD1 3.17Å; D575-L651 WeakPolarHBondContact O-CD1 3.19Å; D575-L654 WeakPolarHBondContact OD2-CD2 3.09Å; D575-N655 PolarHBondContact N-ND2 1.85Å | ||
| 576 | L | 66.5 | Low | 60.4 | Low | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -176.3 | 72.9 | 0 | 0 | 0 | 109.1 | V574 L596 P604 C649 L651 K657 | V574-L576 WeakPolarHBondContact CG1-O 3.42Å; V574-L576 PolarHBondContact O-N 3.28Å; L576-L596 CarbonylContact C-O 3.41Å; L576-L596 VanDerWaalsContact C-O 3.27Å; L576-L596 VanDerWaalsContact CA-O 3.27Å; L576-L596 WeakPolarHBondContact CA-O 3.43Å; L576-P604 HydrophobicContact CD1-CB 3.45Å; L576-P604 VanDerWaalsContact CD1-CB 3.45Å; L576-P604 HydrophobicContact CD1-CG 4.39Å; L576-C649 HydrophobicContact CD1-CB 4.37Å; L576-C649 HydrophobicContact CD2-CB 3.77Å; L576-C649 WeakPolarHBondContact CD2-O 3.4Å; L576-C649 HydrophobicContact CG-CB 4.26Å; L576-L651 HydrophobicContact CB-CD1 3.61Å; L576-L651 HydrophobicContact CB-CG 4Å; L576-L651 HydrophobicContact CD1-CD1 4.06Å; L576-L651 HydrophobicContact CD1-CD2 4.27Å; L576-L651 HydrophobicContact CD1-CG 3.6Å; L576-L651 HydrophobicContact CG-CD1 4.44Å; L576-L651 HydrophobicContact CG-CG 4.3Å; L576-K657 HydrophobicContact CD2-CB 4.41Å; L576-K657 WeakPolarHBondContact O-CE 3.49Å | |
| 577 | I | 74.3 | Confident | 60.7 | Low | 44 Ų | 44 | 58.4 Ų | 58.4 | 23% | 0.226 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -60.5 | 171.2 | 0 | 0 | 0 | 108.4 | R579 C595 L596 I598 | I577-R579 HydrophobicContact CG2-CG 4.1Å; I577-C595 CarbonylContact O-C 3.17Å; I577-C595 WeakPolarHBondContact O-CA 3.09Å; I577-L596 WeakPolarHBondContact CA-O 2.47Å; I577-L596 HydrophobicContact CB-CB 3.74Å; I577-L596 HydrophobicContact CB-CD2 4.2Å; I577-L596 HydrophobicContact CD1-CD2 3.47Å; I577-L596 VanDerWaalsContact CD1-CD2 3.47Å; I577-L596 HydrophobicContact CG1-CD2 4.25Å; I577-L596 HydrophobicContact CG2-CB 4.46Å; I577-L596 PolarHBondContact N-O 3.2Å; I577-L596 WeakPolarHBondContact O-CA 1.88Å; I577-L596 PolarHBondContact O-N 3.18Å; I577-I598 HydrophobicContact CD1-CG2 3.5Å; I577-I598 VanDerWaalsContact CD1-CG2 3.5Å; I577-I598 HydrophobicContact CG1-CG2 4.09Å | |
| 578 | M | 76.7 | Confident | 62 | Low | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -167.8 | 174.5 | 177.5 | 0 | 0 | 109.4 | N581 I593 E594 I647 C649 K657 V659 | M578-N581 PolarHBondContact O-OD1 3.43Å; M578-I593 HydrophobicContact CE-CD1 4.4Å; M578-I593 HydrophobicContact CE-CG2 3.31Å; M578-I593 HydrophobicContact CG-CG2 3.89Å; M578-I593 HydrophobicContact SD-CG2 4.49Å; M578-E594 CarbonylContact C-O 3.57Å; M578-E594 VanDerWaalsContact CA-O 3.26Å; M578-E594 WeakPolarHBondContact CA-O 3.32Å; M578-I647 HydrophobicContact CE-CB 4.44Å; M578-I647 HydrophobicContact CE-CG2 4.26Å; M578-I647 WeakPolarHBondContact CE-O 3.05Å; M578-C649 HydrophobicContact CG-CB 4.41Å; M578-C649 HydrophobicContact SD-CB 4.2Å; M578-K657 HydrophobicContact CB-CB 3.93Å; M578-K657 HydrophobicContact CB-CD 4.15Å; M578-K657 HydrophobicContact SD-CB 4.27Å; M578-V659 HydrophobicContact CE-CB 3.25Å; M578-V659 HydrophobicContact CE-CG1 2.68Å; M578-V659 HydrophobicContact CE-CG2 4.47Å; M578-V659 HydrophobicContact SD-CB 3.89Å; M578-V659 HydrophobicContact SD-CG1 3.98Å | |
| 579 | R | 71.5 | Confident | 63.4 | Low | 162 Ų | 162 | 59.3 Ų | 59.3 | 61% | 0.611 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | 0 | 127.1 | 0 | -70.7 | -178.2 | 176.9 | 176.3 | 0 | 109.8 | I577 E594 | I577-R579 HydrophobicContact CG2-CG 4.1Å; R579-E594 HydrophobicContact CB-CB 4.45Å; R579-E594 PolarHBondContact N-O 1.78Å; R579-E594 PolarHBondContact O-N 2.72Å | |
| 580 | P | 68.1 | Low | 65.4 | Low | 63 Ų | 63 | 58.3 Ų | 58.3 | 41% | 0.409 | 32% | 0.322 | S | S | . | . | S | Bend | cis | -80.1 | 0 | -8.1 | 24.6 | -24.4 | 0 | 0 | 0 | 111.6 | I583 | P580-I583 HydrophobicContact CG-CD1 4.45Å; P580-I583 HydrophobicContact CG-CG1 3.85Å |
| 581 | N | 57.6 | Low | 67.9 | Low | 100 Ų | 100 | 54.6 Ų | 54.6 | 54% | 0.535 | 30% | 0.301 | S | S | . | . | S | Bend | 0 | 0 | 0 | -56.8 | -19.2 | 0 | 0 | 0 | 111 | M578 V659 | M578-N581 PolarHBondContact O-OD1 3.43Å; N581-V659 WeakPolarHBondContact O-CG2 3.39Å | |
| 582 | I | 62.3 | Low | 70.6 | Confident | 104 Ų | 104 | 56.6 Ų | 56.6 | 53% | 0.533 | 30% | 0.295 | S | S | . | . | S | Bend | 0 | 0 | 0 | -69.7 | 168.7 | 0 | 0 | 0 | 108 | Y584 Y662 | I582-Y584 HydrophobicContact CB-CE2 4.45Å; I582-Y584 HydrophobicContact CG2-CD2 3.6Å; I582-Y584 HydrophobicContact CG2-CE2 3.04Å; I582-Y662 HydrophobicContact CG2-CD2 4.43Å; I582-Y662 HydrophobicContact CG2-CE2 4.46Å | |
| 583 | I | 76.8 | Confident | 73 | Confident | 8 Ų | 8 | 52.7 Ų | 52.7 | 4% | 0.041 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -66.1 | 177.6 | 0 | 0 | 0 | 108.6 | P580 I585 F591 I593 V659 L661 Y662 | P580-I583 HydrophobicContact CG-CD1 4.45Å; P580-I583 HydrophobicContact CG-CG1 3.85Å; I583-I585 HydrophobicContact CG2-CB 4.33Å; I583-I585 HydrophobicContact CG2-CD1 3.91Å; I583-I585 HydrophobicContact CG2-CG1 3.69Å; I583-I585 HydrophobicContact CG2-CG2 3.73Å; I583-F591 HydrophobicContact CD1-CD2 3.73Å; I583-F591 HydrophobicContact CD1-CE2 3.98Å; I583-I593 HydrophobicContact CD1-CD1 3.58Å; I583-I593 HydrophobicContact CD1-CG1 3.37Å; I583-V659 HydrophobicContact CG1-CG2 4.29Å; I583-L661 HydrophobicContact CB-CD2 3.71Å; I583-L661 HydrophobicContact CD1-CD2 3.39Å; I583-L661 HydrophobicContact CG1-CD2 4.07Å; I583-L661 HydrophobicContact CG2-CD2 4.02Å; I583-Y662 PolarHBondContact O-N 2.91Å | |
| 584 | Y | 78.2 | Confident | 75.3 | Confident | 135 Ų | 135 | 52.8 Ų | 52.8 | 53% | 0.529 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 105.1 | 0 | -71.4 | -89.8 | 0 | 0 | 0 | 109.6 | I582 Y662 | I582-Y584 HydrophobicContact CB-CE2 4.45Å; I582-Y584 HydrophobicContact CG2-CD2 3.6Å; I582-Y584 HydrophobicContact CG2-CE2 3.04Å; Y584-Y662 WeakPolarHBondContact CA-O 2.72Å; Y584-Y662 HydrophobicContact CD1-CD2 4.11Å; Y584-Y662 HydrophobicContact CD1-CG 4.01Å; Y584-Y662 HydrophobicContact CE1-CD1 4.39Å; Y584-Y662 AromaticContact CE1-CD2 3.61Å; Y584-Y662 HydrophobicContact CE1-CD2 3.61Å; Y584-Y662 HydrophobicContact CE1-CE2 4.31Å; Y584-Y662 AromaticContact CE1-CG 3.66Å; Y584-Y662 HydrophobicContact CE1-CG 3.66Å; Y584-Y662 HydrophobicContact CE2-CD2 4.24Å; Y584-Y662 AromaticContact CZ-CD2 3.67Å | |
| 585 | I | 80.6 | Confident | 77.1 | Confident | 23 Ų | 23 | 51 Ų | 51 | 12% | 0.118 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 0 | -173 | 44.9 | 164.7 | 0 | 0 | 0 | 108.4 | I583 H589 F591 Y662 I663 M664 | I583-I585 HydrophobicContact CG2-CB 4.33Å; I583-I585 HydrophobicContact CG2-CD1 3.91Å; I583-I585 HydrophobicContact CG2-CG1 3.69Å; I583-I585 HydrophobicContact CG2-CG2 3.73Å; I585-H589 HydrophobicContact CB-CB 4.5Å; I585-F591 HydrophobicContact CD1-CB 4.13Å; I585-F591 HydrophobicContact CD1-CD1 2.96Å; I585-F591 HydrophobicContact CD1-CE1 3.4Å; I585-F591 HydrophobicContact CD1-CG 3.69Å; I585-F591 HydrophobicContact CD1-CZ 4.4Å; I585-F591 HydrophobicContact CG1-CD1 4.46Å; I585-Y662 PolarHBondContact N-O 3.4Å; I585-I663 HydrophobicContact CG1-CG1 4.4Å; I585-I663 CarbonylContact O-C 3.47Å; I585-I663 WeakPolarHBondContact O-CA 3.2Å; I585-M664 PolarHBondContact O-N 3.06Å |
| 586 | P | 81 | Confident | 78.1 | Confident | 62 Ų | 62 | 53 Ų | 53 | 40% | 0.403 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | 9.9 | -9.3 | 0 | 0 | 0 | 111.6 | F588 H589 M664 | P586-F588 PolarHBondContact O-N 2.31Å; P586-H589 HydrophobicContact CB-CB 4.45Å; P586-H589 HydrophobicContact CG-CB 3.86Å; P586-H589 WeakPolarHBondContact O-CB 3.23Å; P586-H589 PolarHBondContact O-N 3.18Å; P586-M664 CarbonylContact C-O 3.53Å; P586-M664 VanDerWaalsContact CA-O 3.28Å; P586-M664 WeakPolarHBondContact CA-O 2.8Å | |
| 587 | A | 82.8 | Confident | 78.4 | Confident | 5 Ų | 5 | 53 Ų | 53 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.5 | H589 L638 I663 M664 Q673 | A587-H589 VanDerWaalsContact C-N 3.34Å; A587-H589 PolarHBondContact O-N 3.37Å; A587-L638 WeakPolarHBondContact CA-O 3.14Å; A587-I663 VanDerWaalsContact CA-CG2 3.49Å; A587-I663 HydrophobicContact CB-CG2 4.04Å; A587-M664 PolarHBondContact N-O 2.31Å; A587-Q673 HydrophobicContact CB-CB 4.27Å | |
| 588 | F | 85.9 | Confident | 77.9 | Confident | 25 Ų | 25 | 55.2 Ų | 55.2 | 11% | 0.11 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -68.8 | -71.4 | 0 | 0 | 0 | 109.8 | P586 D636 L638 Q673 C674 R675 F702 | P586-F588 PolarHBondContact O-N 2.31Å; F588-D636 CarbonylContact C-O 3.29Å; F588-L638 PolarHBondContact N-O 3.37Å; F588-Q673 WeakPolarHBondContact CE2-O 3.01Å; F588-C674 WeakPolarHBondContact CD2-O 3.25Å; F588-C674 VanDerWaalsContact CE2-C 3.43Å; F588-C674 WeakPolarHBondContact CE2-O 3.18Å; F588-R675 HydrophobicContact CD1-CB 4.19Å; F588-R675 HydrophobicContact CD1-CG 4.27Å; F588-R675 HydrophobicContact CE1-CB 4.19Å; F588-R675 HydrophobicContact CG-CB 4.43Å; F588-R675 HydrophobicContact CZ-CB 4.43Å; F588-F702 HydrophobicContact CE1-CE2 4.04Å; F588-F702 HydrophobicContact CE1-CZ 4.29Å; F588-F702 HydrophobicContact CE2-CE2 4.09Å; F588-F702 AromaticContact CE2-CZ 3.65Å; F588-F702 HydrophobicContact CE2-CZ 3.65Å; F588-F702 HydrophobicContact CZ-CD2 4.29Å; F588-F702 HydrophobicContact CZ-CE1 4.22Å; F588-F702 AromaticContact CZ-CE2 3.18Å; F588-F702 HydrophobicContact CZ-CE2 3.18Å; F588-F702 AromaticContact CZ-CZ 3.12Å; F588-F702 HydrophobicContact CZ-CZ 3.12Å | |
| 589 | H | 82.2 | Confident | 76.7 | Confident | 95 Ų | 95 | 60.2 Ų | 60.2 | 44% | 0.44 | 29% | 0.292 | S | S | . | . | 0 | 126.5 | 0 | -163 | 82.4 | 0 | 0 | 0 | 110 | I585 P586 A587 G637 | I585-H589 HydrophobicContact CB-CB 4.5Å; P586-H589 HydrophobicContact CB-CB 4.45Å; P586-H589 HydrophobicContact CG-CB 3.86Å; P586-H589 WeakPolarHBondContact O-CB 3.23Å; P586-H589 PolarHBondContact O-N 3.18Å; A587-H589 VanDerWaalsContact C-N 3.34Å; A587-H589 PolarHBondContact O-N 3.37Å; H589-G637 WeakPolarHBondContact O-CA 3.34Å | |||
| 590 | P | 84.8 | Confident | 75.7 | Confident | 71 Ų | 71 | 58.1 Ų | 58.1 | 46% | 0.461 | 30% | 0.297 | S | S | . | . | trans | -65.9 | 142.8 | -177.5 | -18.5 | 24.7 | 0 | 0 | 0 | 111.8 | A634 T635 | P590-A634 WeakPolarHBondContact CA-O 2.43Å; P590-T635 VanDerWaalsContact CB-O 3.23Å; P590-T635 WeakPolarHBondContact CB-O 3.29Å; P590-T635 WeakPolarHBondContact CG-O 1.66Å | ||
| 591 | F | 88 | Confident | 75.2 | Confident | 23 Ų | 23 | 57.4 Ų | 57.4 | 10% | 0.101 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 0 | 177 | 64.4 | -88.8 | 0 | 0 | 0 | 109 | I583 I585 I593 F620 A634 L638 L661 | I583-F591 HydrophobicContact CD1-CD2 3.73Å; I583-F591 HydrophobicContact CD1-CE2 3.98Å; I585-F591 HydrophobicContact CD1-CB 4.13Å; I585-F591 HydrophobicContact CD1-CD1 2.96Å; I585-F591 HydrophobicContact CD1-CE1 3.4Å; I585-F591 HydrophobicContact CD1-CG 3.69Å; I585-F591 HydrophobicContact CD1-CZ 4.4Å; I585-F591 HydrophobicContact CG1-CD1 4.46Å; F591-I593 HydrophobicContact CD2-CG1 4.3Å; F591-I593 HydrophobicContact CE2-CD1 4.05Å; F591-I593 HydrophobicContact CE2-CG1 4.28Å; F591-F620 HydrophobicContact CZ-CE1 4.25Å; F591-A634 HydrophobicContact CD1-CB 3.97Å; F591-A634 HydrophobicContact CE1-CB 3.55Å; F591-A634 HydrophobicContact CE2-CB 4.3Å; F591-A634 HydrophobicContact CZ-CB 3.74Å; F591-A634 PolarHBondContact N-O 2.65Å; F591-A634 PolarHBondContact O-N 2.5Å; F591-L638 HydrophobicContact CE1-CD1 3.95Å; F591-L638 HydrophobicContact CE1-CG 4.18Å; F591-L638 HydrophobicContact CZ-CD1 3.79Å; F591-L638 HydrophobicContact CZ-CG 4.46Å; F591-L661 HydrophobicContact CE2-CD1 4.39Å; F591-L661 HydrophobicContact CE2-CD2 3.94Å; F591-L661 HydrophobicContact CZ-CD1 3.86Å; F591-L661 HydrophobicContact CZ-CD2 4.1Å |
| 592 | E | 87.4 | Confident | 74.9 | Confident | 100 Ų | 100 | 55.2 Ų | 55.2 | 47% | 0.467 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 144.2 | 0 | 64.9 | -178.2 | -164.3 | 0 | 0 | 110 | I631 I632 K633 | E592-I631 HydrophobicContact CB-CG2 4.22Å; E592-I632 CarbonylContact C-O 3.46Å; E592-I632 WeakPolarHBondContact CA-O 3.42Å; E592-K633 HydrophobicContact CB-CG 3.75Å; E592-K633 VanDerWaalsContact OE2-CE 3.26Å; E592-K633 WeakPolarHBondContact OE2-CE 3.47Å | |
| 593 | I | 87.7 | Confident | 75.1 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 126.7 | 177.1 | -61.1 | 168.1 | 0 | 0 | 0 | 108 | M578 I583 F591 I631 I632 I647 V659 L661 | M578-I593 HydrophobicContact CE-CD1 4.4Å; M578-I593 HydrophobicContact CE-CG2 3.31Å; M578-I593 HydrophobicContact CG-CG2 3.89Å; M578-I593 HydrophobicContact SD-CG2 4.49Å; I583-I593 HydrophobicContact CD1-CD1 3.58Å; I583-I593 HydrophobicContact CD1-CG1 3.37Å; F591-I593 HydrophobicContact CD2-CG1 4.3Å; F591-I593 HydrophobicContact CE2-CD1 4.05Å; F591-I593 HydrophobicContact CE2-CG1 4.28Å; I593-I631 CarbonylContact O-C 3.44Å; I593-I631 WeakPolarHBondContact O-CA 3.49Å; I593-I632 HydrophobicContact CB-CB 4.28Å; I593-I632 PolarHBondContact N-O 2.74Å; I593-I632 PolarHBondContact O-N 1.05Å; I593-I647 HydrophobicContact CD1-CB 4.47Å; I593-I647 HydrophobicContact CD1-CD1 3.71Å; I593-V659 HydrophobicContact CD1-CG1 3.83Å; I593-L661 HydrophobicContact CD1-CD2 4.32Å |
| 594 | E | 83.9 | Confident | 75.3 | Confident | 36 Ų | 36 | 52.3 Ų | 52.3 | 17% | 0.168 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 127.5 | 179.4 | -173.7 | 179.4 | -159.9 | 0 | 0 | 110.7 | M578 R579 R629 L630 I631 | M578-E594 CarbonylContact C-O 3.57Å; M578-E594 VanDerWaalsContact CA-O 3.26Å; M578-E594 WeakPolarHBondContact CA-O 3.32Å; R579-E594 HydrophobicContact CB-CB 4.45Å; R579-E594 PolarHBondContact N-O 1.78Å; R579-E594 PolarHBondContact O-N 2.72Å; E594-R629 HydrophobicContact CG-CG 4.07Å; E594-R629 WeakPolarHBondContact OE1-CD 3.43Å; E594-R629 WeakPolarHBondContact OE1-CG 3.46Å; E594-R629 IonicContact OE1-CZ 3.3Å; E594-R629 IonicContact OE1-NE 3.54Å; E594-R629 PolarHBondContact OE1-NE 3.33Å; E594-R629 IonicContact OE1-NH2 3.33Å; E594-R629 PolarHBondContact OE1-NH2 1.5Å; E594-L630 CarbonylContact C-O 3.55Å; E594-I631 HydrophobicContact CG-CG1 4.3Å |
| 595 | C | 87.1 | Confident | 75.5 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 118.5 | 175.5 | -62 | 0 | 0 | 0 | 0 | 109 | I577 P604 R629 L630 C649 | I577-C595 CarbonylContact O-C 3.17Å; I577-C595 WeakPolarHBondContact O-CA 3.09Å; C595-P604 HydrophobicContact CB-CB 3.94Å; C595-P604 HydrophobicContact CB-CG 4.17Å; C595-P604 WeakPolarHBondContact O-CG 3.45Å; C595-R629 CarbonylContact O-C 3.45Å; C595-R629 WeakPolarHBondContact O-CA 3.06Å; C595-L630 HydrophobicContact CB-CB 3.95Å; C595-L630 HydrophobicContact CB-CD2 4.28Å; C595-L630 PolarHBondContact N-O 3.32Å; C595-L630 PolarHBondContact O-N 2.27Å; C595-C649 HydrophobicContact CB-CB 3.72Å; C595-C649 WeakPolarHBondContact CB-SG 2.9Å; C595-C649 WeakPolarHBondContact SG-CB 3.46Å; C595-C649 CovalentContact SG-SG 1.63Å; C595-C649 PolarHBondContact SG-SG 3.02Å |
| 596 | L | 75.6 | Confident | 75.7 | Confident | 55 Ų | 55 | 48 Ų | 48 | 29% | 0.288 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 131.4 | -175 | -165.8 | 117.9 | 0 | 0 | 0 | 109.8 | L576 I577 I598 Q628 R629 | L576-L596 CarbonylContact C-O 3.41Å; L576-L596 VanDerWaalsContact C-O 3.27Å; L576-L596 VanDerWaalsContact CA-O 3.27Å; L576-L596 WeakPolarHBondContact CA-O 3.43Å; I577-L596 WeakPolarHBondContact CA-O 2.47Å; I577-L596 HydrophobicContact CB-CB 3.74Å; I577-L596 HydrophobicContact CB-CD2 4.2Å; I577-L596 HydrophobicContact CD1-CD2 3.47Å; I577-L596 VanDerWaalsContact CD1-CD2 3.47Å; I577-L596 HydrophobicContact CG1-CD2 4.25Å; I577-L596 HydrophobicContact CG2-CB 4.46Å; I577-L596 PolarHBondContact N-O 3.2Å; I577-L596 WeakPolarHBondContact O-CA 1.88Å; I577-L596 PolarHBondContact O-N 3.18Å; L596-I598 HydrophobicContact CD2-CG2 4.38Å; L596-Q628 CarbonylContact C-O 3.51Å; L596-Q628 VanDerWaalsContact CA-O 3.26Å; L596-Q628 WeakPolarHBondContact CA-O 3.35Å; L596-R629 HydrophobicContact CD1-CG 4.17Å |
| 597 | S | 73.2 | Confident | 75.8 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 123.3 | 177.6 | 169 | 0 | 0 | 0 | 0 | 109.2 | D575 R599 L602 Q628 L651 | D575-S597 CarbonylContact O-C 3.41Å; D575-S597 VanDerWaalsContact O-C 3.29Å; D575-S597 WeakPolarHBondContact O-CA 3.46Å; D575-S597 PolarHBondContact O-OG 3.42Å; S597-R599 PolarHBondContact OG-N 2.8Å; S597-R599 PolarHBondContact OG-O 3.48Å; S597-L602 WeakPolarHBondContact CB-O 3.2Å; S597-L602 PolarHBondContact OG-O 3.37Å; S597-Q628 PolarHBondContact N-O 3.34Å; S597-Q628 VanDerWaalsContact O-CB 3.29Å; S597-Q628 WeakPolarHBondContact O-CB 3.36Å; S597-L651 WeakPolarHBondContact OG-CD2 2.84Å |
| 598 | I | 64.9 | Low | 75.7 | Confident | 91 Ų | 91 | 47 Ų | 47 | 47% | 0.467 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -82 | 0 | -177.3 | 40.4 | 165.3 | 0 | 0 | 0 | 110 | V574 D575 I577 L596 | V574-I598 WeakPolarHBondContact O-CD1 1.62Å; V574-I598 WeakPolarHBondContact O-CG1 3.38Å; D575-I598 HydrophobicContact CB-CG1 4.12Å; D575-I598 VanDerWaalsContact N-CD1 3.3Å; D575-I598 WeakPolarHBondContact O-CG1 2.8Å; D575-I598 PolarHBondContact O-N 3.06Å; I577-I598 HydrophobicContact CD1-CG2 3.5Å; I577-I598 VanDerWaalsContact CD1-CG2 3.5Å; I577-I598 HydrophobicContact CG1-CG2 4.09Å; L596-I598 HydrophobicContact CD2-CG2 4.38Å |
| 599 | R | 51.1 | Low | 74.8 | Confident | 106 Ų | 106 | 46.2 Ų | 46.2 | 40% | 0.4 | 25% | 0.254 | S | S | . | . | S | Bend | 0 | 107.2 | 0 | -74.4 | -156.2 | -149.4 | 173.3 | 3.6 | 109.9 | D575 S597 G601 L602 Q628 | D575-R599 HydrophobicContact CB-CB 4.18Å; D575-R599 HydrophobicContact CB-CG 3.5Å; D575-R599 VanDerWaalsContact CB-CG 3.5Å; D575-R599 VanDerWaalsContact CB-NE 3.32Å; D575-R599 WeakPolarHBondContact OD1-CD 3.34Å; D575-R599 WeakPolarHBondContact OD1-CG 3.34Å; D575-R599 IonicContact OD1-CZ 2.68Å; D575-R599 IonicContact OD1-NE 3.47Å; D575-R599 PolarHBondContact OD1-NE 3.03Å; D575-R599 IonicContact OD1-NH2 3.95Å; D575-R599 PolarHBondContact OD1-NH2 3.19Å; D575-R599 WeakPolarHBondContact OD2-CD 3.3Å; D575-R599 IonicContact OD2-CZ 3.31Å; D575-R599 CovalentContact OD2-NE 1.68Å; D575-R599 IonicContact OD2-NE 3.16Å; D575-R599 PolarHBondContact OD2-NE 2.7Å; D575-R599 IonicContact OD2-NH1 2.46Å; D575-R599 PolarHBondContact OD2-NH1 3.1Å; D575-R599 IonicContact OD2-NH2 3.34Å; D575-R599 PolarHBondContact OD2-NH2 2.71Å; S597-R599 PolarHBondContact OG-N 2.8Å; S597-R599 PolarHBondContact OG-O 3.48Å; R599-G601 PolarHBondContact O-N 0.55Å; R599-L602 HydrophobicContact CB-CD1 3.98Å; R599-L602 PolarHBondContact O-N 3.11Å; R599-Q628 VanDerWaalsContact C-NE2 3.26Å; R599-Q628 PolarHBondContact O-NE2 2.8Å | |
| 600 | T | 50.8 | Low | 74 | Confident | 119 Ų | 119 | 44.7 Ų | 44.7 | 73% | 0.73 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 0 | -176.5 | 47.2 | 0 | 0 | 0 | 0 | 110.1 | Q628 | T600-Q628 VanDerWaalsContact CG2-CD 3.41Š|
| 601 | G | 56.5 | Low | 73 | Confident | 48 Ų | 48 | 43.2 Ų | 43.2 | 50% | 0.495 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | 0 | -9.2 | 0 | 0 | 0 | 0 | 0 | 0 | 110.9 | R599 | R599-G601 PolarHBondContact O-N 0.55Š| |
| 602 | L | 51.5 | Low | 72.3 | Confident | 53 Ų | 53 | 44 Ų | 44 | 28% | 0.277 | 26% | 0.257 | S | S | . | . | trans | -105.4 | 118.9 | 171 | -70 | 168.6 | 0 | 0 | 0 | 109.8 | S597 R599 L651 L654 | S597-L602 WeakPolarHBondContact CB-O 3.2Å; S597-L602 PolarHBondContact OG-O 3.37Å; R599-L602 HydrophobicContact CB-CD1 3.98Å; R599-L602 PolarHBondContact O-N 3.11Å; L602-L651 HydrophobicContact CB-CD2 3.42Å; L602-L651 VanDerWaalsContact CB-CD2 3.42Å; L602-L654 HydrophobicContact CB-CD1 4.32Å; L602-L654 HydrophobicContact CD1-CD1 2.29Å; L602-L654 HydrophobicContact CD1-CD2 4.35Å; L602-L654 HydrophobicContact CD1-CG 3.76Å; L602-L654 HydrophobicContact CD2-CD1 3.92Å; L602-L654 HydrophobicContact CG-CD1 3.61Å | ||
| 603 | S | 66.6 | Low | 71.5 | Confident | 49 Ų | 49 | 43.4 Ų | 43.4 | 34% | 0.343 | 26% | 0.262 | S | S | . | . | trans | -89.1 | 122.6 | 178 | -66.3 | 0 | 0 | 0 | 0 | 110.6 | I605 E627 | S603-I605 PolarHBondContact O-N 3.24Å; S603-E627 WeakPolarHBondContact CA-O 3.36Å; S603-E627 WeakPolarHBondContact CB-O 3.44Å; S603-E627 PolarHBondContact OG-O 3.17Å | ||
| 604 | P | 80.5 | Confident | 71 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.013 | 27% | 0.265 | C | S | . | . | trans | -64 | 142.7 | 176.8 | 19.9 | -20.7 | 0 | 0 | 0 | 111.8 | L576 C595 Q628 L630 M650 L651 | L576-P604 HydrophobicContact CD1-CB 3.45Å; L576-P604 VanDerWaalsContact CD1-CB 3.45Å; L576-P604 HydrophobicContact CD1-CG 4.39Å; C595-P604 HydrophobicContact CB-CB 3.94Å; C595-P604 HydrophobicContact CB-CG 4.17Å; C595-P604 WeakPolarHBondContact O-CG 3.45Å; P604-Q628 WeakPolarHBondContact CG-O 3.4Å; P604-L630 HydrophobicContact CB-CB 4.47Å; P604-L630 HydrophobicContact CG-CB 3.96Å; P604-L630 WeakPolarHBondContact O-CD1 3.23Å; P604-M650 CarbonylContact C-O 3.54Å; P604-M650 VanDerWaalsContact CA-O 3.27Å; P604-M650 WeakPolarHBondContact CA-O 3.47Å; P604-L651 HydrophobicContact CB-CD2 4.38Å | ||
| 605 | I | 82.7 | Confident | 70.6 | Confident | 57 Ų | 57 | 49 Ų | 49 | 29% | 0.292 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 0 | 173.6 | 51.7 | 167.8 | 0 | 0 | 0 | 109.3 | S603 C649 M650 P652 | S603-I605 PolarHBondContact O-N 3.24Å; I605-C649 CarbonylContact O-C 3.42Å; I605-C649 WeakPolarHBondContact O-CA 3.48Å; I605-M650 HydrophobicContact CB-CG 3.93Å; I605-M650 HydrophobicContact CD1-CB 4.4Å; I605-M650 HydrophobicContact CD1-CE 3.48Å; I605-M650 VanDerWaalsContact CD1-CE 3.48Å; I605-M650 HydrophobicContact CD1-CG 2.96Å; I605-M650 HydrophobicContact CD1-SD 2.88Å; I605-M650 WeakPolarHBondContact CD1-SD 1.55Å; I605-M650 HydrophobicContact CG1-CB 3.95Å; I605-M650 HydrophobicContact CG1-CE 4.26Å; I605-M650 HydrophobicContact CG1-CG 2.58Å; I605-M650 VanDerWaalsContact CG1-O 3.26Å; I605-M650 WeakPolarHBondContact CG1-O 3.27Å; I605-M650 HydrophobicContact CG1-SD 3.41Å; I605-M650 WeakPolarHBondContact CG1-SD 3.09Å; I605-M650 PolarHBondContact N-O 3.47Å; I605-M650 WeakPolarHBondContact O-CG 2.3Å; I605-M650 PolarHBondContact O-N 2.86Å; I605-P652 HydrophobicContact CD1-CG 4.16Å; I605-P652 HydrophobicContact CG1-CG 4.26Å; I605-P652 HydrophobicContact CG2-CG 4.44Å |
| 606 | A | 84.9 | Confident | 69.8 | Low | 10 Ų | 10 | 52.8 Ų | 52.8 | 8% | 0.083 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 125.8 | 0 | 0 | 0 | 0 | 0 | 0 | 109.4 | I614 L630 I632 R648 | A606-I614 HydrophobicContact CB-CD1 4.01Å; A606-I614 PolarHBondContact O-N 3.45Å; A606-L630 HydrophobicContact CB-CD2 3.62Å; A606-I632 HydrophobicContact CB-CD1 3.16Å; A606-I632 HydrophobicContact CB-CG1 3.9Å; A606-R648 CarbonylContact C-O 3.33Å; A606-R648 VanDerWaalsContact CA-O 3.28Å; A606-R648 WeakPolarHBondContact CA-O 1.96Å | |
| 607 | I | 83.5 | Confident | 69.7 | Low | 23 Ų | 23 | 53 Ų | 53 | 12% | 0.118 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 159.8 | 179.2 | 53 | 174.1 | 0 | 0 | 0 | 108 | A612 R648 M650 | I607-A612 CarbonylContact C-O 3.47Å; I607-A612 WeakPolarHBondContact CA-O 3.28Å; I607-A612 WeakPolarHBondContact CB-O 3.21Å; I607-R648 HydrophobicContact CD1-CB 4.41Å; I607-R648 HydrophobicContact CG1-CB 3.78Å; I607-R648 PolarHBondContact N-O 3.47Å; I607-R648 PolarHBondContact O-N 3.24Å; I607-M650 HydrophobicContact CD1-CG 4.45Å; I607-M650 HydrophobicContact CD1-SD 3.27Å; I607-M650 WeakPolarHBondContact CD1-SD 3.13Å; I607-M650 HydrophobicContact CG1-SD 3.84Å; I607-M650 HydrophobicContact CG2-SD 3.9Å |
| 608 | F | 81.4 | Confident | 69.5 | Low | 24 Ų | 24 | 59.2 Ų | 59.2 | 11% | 0.105 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 151 | 173.2 | -73.1 | -66.4 | 0 | 0 | 0 | 110.7 | N610 G611 A612 I614 F620 L645 R646 S787 | F608-N610 WeakPolarHBondContact CB-OD1 3.46Å; F608-N610 PolarHBondContact O-N 3Å; F608-G611 PolarHBondContact O-N 2.92Å; F608-A612 HydrophobicContact CD2-CB 4.38Å; F608-A612 PolarHBondContact N-O 2.75Å; F608-I614 HydrophobicContact CD1-CD1 4.22Å; F608-I614 HydrophobicContact CD1-CG1 4.02Å; F608-I614 HydrophobicContact CD2-CG1 3.76Å; F608-I614 HydrophobicContact CE1-CD1 4.2Å; F608-I614 HydrophobicContact CE1-CG1 3.95Å; F608-I614 HydrophobicContact CE2-CB 4.34Å; F608-I614 HydrophobicContact CE2-CG1 3.69Å; F608-I614 HydrophobicContact CG-CG1 3.92Å; F608-I614 HydrophobicContact CZ-CB 4.48Å; F608-I614 HydrophobicContact CZ-CD1 4.49Å; F608-I614 HydrophobicContact CZ-CG1 3.79Å; F608-I614 HydrophobicContact CZ-CG2 4.35Å; F608-F620 HydrophobicContact CE1-CE2 4.04Å; F608-F620 HydrophobicContact CZ-CD2 4.34Å; F608-F620 HydrophobicContact CZ-CE2 4.01Å; F608-L645 HydrophobicContact CD1-CD1 4.18Å; F608-L645 HydrophobicContact CD1-CG 4.49Å; F608-L645 HydrophobicContact CE1-CD1 4.37Å; F608-L645 HydrophobicContact CE1-CD2 4.07Å; F608-R646 CarbonylContact C-O 3.37Å; F608-S787 WeakPolarHBondContact CB-OG 3.12Å |
| 609 | G | 66.7 | Low | 70.1 | Confident | 8 Ų | 8 | 57 Ų | 57 | 8% | 0.082 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -37.4 | -17 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R646 R648 S787 | G609-R646 PolarHBondContact N-O 2.84Å; G609-R648 PolarHBondContact O-NH1 3.24Å; G609-R648 PolarHBondContact O-NH2 3.06Å; G609-S787 PolarHBondContact N-OG 1.74Å |
| 610 | N | 65.6 | Low | 71.6 | Confident | 64 Ų | 64 | 52 Ų | 52 | 34% | 0.342 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 0 | -176.6 | 59.7 | -8.5 | 0 | 0 | 0 | 110.9 | F608 A612 D785 E786 | F608-N610 WeakPolarHBondContact CB-OD1 3.46Å; F608-N610 PolarHBondContact O-N 3Å; N610-A612 PolarHBondContact OD1-N 1.47Å; N610-D785 WeakPolarHBondContact CB-O 2.92Å; N610-D785 PolarHBondContact ND2-O 2.74Å; N610-E786 WeakPolarHBondContact ND2-CA 3.39Å |
| 611 | G | 64.3 | Low | 73.1 | Confident | 40 Ų | 40 | 48.8 Ų | 48.8 | 41% | 0.412 | 30% | 0.297 | S | S | . | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.3 | F608 | F608-G611 PolarHBondContact O-N 2.92Š| |
| 612 | A | 72.3 | Confident | 74.4 | Confident | 38 Ų | 38 | 48.5 Ų | 48.5 | 31% | 0.314 | 28% | 0.283 | S | S | . | . | 0 | 136.4 | 0 | 0 | 0 | 0 | 0 | 0 | 110.3 | I607 F608 N610 I614 | I607-A612 CarbonylContact C-O 3.47Å; I607-A612 WeakPolarHBondContact CA-O 3.28Å; I607-A612 WeakPolarHBondContact CB-O 3.21Å; F608-A612 HydrophobicContact CD2-CB 4.38Å; F608-A612 PolarHBondContact N-O 2.75Å; N610-A612 PolarHBondContact OD1-N 1.47Å; A612-I614 PolarHBondContact O-N 1.75Å | |||
| 613 | P | 71.3 | Confident | 75.8 | Confident | 88 Ų | 88 | 48.9 Ų | 48.9 | 57% | 0.571 | 29% | 0.288 | S | S | * | . | B | Isolated β-bridge | trans | -66.7 | 131.5 | -177.1 | 17.9 | -18.5 | 0 | 0 | 0 | 111.9 | E615 | P613-E615 PolarHBondContact O-N 3.16Å |
| 614 | I | 77 | Confident | 76.2 | Confident | 11 Ų | 11 | 52.6 Ų | 52.6 | 6% | 0.056 | 30% | 0.298 | C | S | . | . | trans | -77.1 | 0 | 175.2 | -63.6 | 176.9 | 0 | 0 | 0 | 108.3 | A606 F608 A612 F620 I622 I632 I647 | A606-I614 HydrophobicContact CB-CD1 4.01Å; A606-I614 PolarHBondContact O-N 3.45Å; F608-I614 HydrophobicContact CD1-CD1 4.22Å; F608-I614 HydrophobicContact CD1-CG1 4.02Å; F608-I614 HydrophobicContact CD2-CG1 3.76Å; F608-I614 HydrophobicContact CE1-CD1 4.2Å; F608-I614 HydrophobicContact CE1-CG1 3.95Å; F608-I614 HydrophobicContact CE2-CB 4.34Å; F608-I614 HydrophobicContact CE2-CG1 3.69Å; F608-I614 HydrophobicContact CG-CG1 3.92Å; F608-I614 HydrophobicContact CZ-CB 4.48Å; F608-I614 HydrophobicContact CZ-CD1 4.49Å; F608-I614 HydrophobicContact CZ-CG1 3.79Å; F608-I614 HydrophobicContact CZ-CG2 4.35Å; A612-I614 PolarHBondContact O-N 1.75Å; I614-F620 HydrophobicContact CG2-CB 4.15Å; I614-F620 HydrophobicContact CG2-CD2 4.26Å; I614-F620 HydrophobicContact CG2-CG 4.29Å; I614-I622 VanDerWaalsContact C-CD1 3.5Å; I614-I622 HydrophobicContact CB-CD1 4.07Å; I614-I622 HydrophobicContact CG2-CD1 3.68Å; I614-I622 HydrophobicContact CG2-CG1 4.36Å; I614-I622 WeakPolarHBondContact O-CD1 3.34Å; I614-I632 HydrophobicContact CD1-CD1 4.44Å; I614-I647 HydrophobicContact CD1-CB 4.34Å; I614-I647 HydrophobicContact CD1-CD1 4.43Å; I614-I647 HydrophobicContact CD1-CG1 4.13Å; I614-I647 HydrophobicContact CD1-CG2 3.48Å; I614-I647 VanDerWaalsContact CD1-CG2 3.48Å | ||
| 615 | E | 74.7 | Confident | 75.8 | Confident | 142 Ų | 142 | 56 Ų | 56 | 66% | 0.664 | 32% | 0.32 | S | S | * | . | 0 | 150.2 | 0 | -65.4 | -175.9 | 173.7 | 0 | 0 | 110.1 | P613 D617 | P613-E615 PolarHBondContact O-N 3.16Å; E615-D617 PolarHBondContact O-N 2.8Å | |||
| 616 | S | 71.3 | Confident | 75 | Confident | 80 Ų | 80 | 57.1 Ų | 57.1 | 56% | 0.559 | 33% | 0.327 | S | S | * | . | trans | -62.5 | 105.4 | 176.2 | -89.8 | 0 | 0 | 0 | 0 | 110.8 | F620 I622 | S616-F620 CarbonylContact C-O 3.39Å; S616-F620 WeakPolarHBondContact CA-O 3.49Å; S616-I622 PolarHBondContact OG-N 3.41Å; S616-I622 VanDerWaalsContact OG-N 3.09Å | ||
| 617 | D | 73.9 | Confident | 73.8 | Confident | 60 Ų | 60 | 63.1 Ų | 63.1 | 32% | 0.321 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -129.4 | 0 | 175 | 59.6 | 16.1 | 0 | 0 | 0 | 109.7 | E615 R619 F620 | E615-D617 PolarHBondContact O-N 2.8Å; D617-R619 PolarHBondContact O-N 2.51Å; D617-R619 WeakPolarHBondContact OD1-CA 3.28Å; D617-R619 WeakPolarHBondContact OD1-CB 3.48Å; D617-R619 PolarHBondContact OD1-N 2.76Å; D617-R619 IonicContact OD2-CZ 2.33Å; D617-R619 IonicContact OD2-NE 1.72Å; D617-R619 PolarHBondContact OD2-NE 3.41Å; D617-R619 IonicContact OD2-NH2 2.72Å; D617-R619 PolarHBondContact OD2-NH2 2.54Å; D617-F620 PolarHBondContact N-O 2.34Å; D617-F620 VanDerWaalsContact O-O 3.04Å; D617-F620 PolarHBondContact OD1-N 3.25Å |
| 618 | N | 68.9 | Low | 73.4 | Confident | 130 Ų | 130 | 64.5 Ų | 64.5 | 70% | 0.695 | 36% | 0.359 | S | S | * | . | S | Bend | 0 | 0 | 0 | -64.8 | -18.4 | 0 | 0 | 0 | 111.6 | S700 | N618-S700 WeakPolarHBondContact CB-OG 3.08Å; N618-S700 PolarHBondContact ND2-OG 2.28Å | |
| 619 | R | 76.9 | Confident | 73.1 | Confident | 46 Ų | 46 | 66.6 Ų | 66.6 | 17% | 0.174 | 37% | 0.366 | C | S | . | . | S | Bend | 0 | 0 | 0 | -63.7 | 176.6 | -63.4 | 171.2 | 0.3 | 110.2 | D617 L638 Y642 | D617-R619 PolarHBondContact O-N 2.51Å; D617-R619 WeakPolarHBondContact OD1-CA 3.28Å; D617-R619 WeakPolarHBondContact OD1-CB 3.48Å; D617-R619 PolarHBondContact OD1-N 2.76Å; D617-R619 IonicContact OD2-CZ 2.33Å; D617-R619 IonicContact OD2-NE 1.72Å; D617-R619 PolarHBondContact OD2-NE 3.41Å; D617-R619 IonicContact OD2-NH2 2.72Å; D617-R619 PolarHBondContact OD2-NH2 2.54Å; R619-L638 HydrophobicContact CB-CD2 4.21Å; R619-Y642 WeakPolarHBondContact CD-OH 3.31Å | |
| 620 | F | 83.2 | Confident | 74.1 | Confident | 1 Ų | 1 | 66.5 Ų | 66.5 | 0% | 0.004 | 36% | 0.364 | C | S | . | . | 0 | 134.3 | 0 | -64.4 | -76.6 | 0 | 0 | 0 | 109.1 | F591 F608 I614 S616 D617 I632 K633 A634 L638 L645 I647 | F591-F620 HydrophobicContact CZ-CE1 4.25Å; F608-F620 HydrophobicContact CE1-CE2 4.04Å; F608-F620 HydrophobicContact CZ-CD2 4.34Å; F608-F620 HydrophobicContact CZ-CE2 4.01Å; I614-F620 HydrophobicContact CG2-CB 4.15Å; I614-F620 HydrophobicContact CG2-CD2 4.26Å; I614-F620 HydrophobicContact CG2-CG 4.29Å; S616-F620 CarbonylContact C-O 3.39Å; S616-F620 WeakPolarHBondContact CA-O 3.49Å; D617-F620 PolarHBondContact N-O 2.34Å; D617-F620 VanDerWaalsContact O-O 3.04Å; D617-F620 PolarHBondContact OD1-N 3.25Å; F620-I632 HydrophobicContact CB-CG2 4.23Å; F620-I632 HydrophobicContact CD1-CG2 3.68Å; F620-I632 HydrophobicContact CE1-CG2 4.41Å; F620-I632 HydrophobicContact CG-CG2 4.22Å; F620-K633 CarbonylContact C-O 3.53Å; F620-K633 VanDerWaalsContact CA-O 3.23Å; F620-K633 WeakPolarHBondContact CA-O 3.11Å; F620-A634 HydrophobicContact CD1-CB 4.25Å; F620-A634 HydrophobicContact CE1-CB 4.26Å; F620-L638 HydrophobicContact CE1-CD1 4.11Å; F620-L638 HydrophobicContact CZ-CD1 3.75Å; F620-L638 HydrophobicContact CZ-CD2 4.44Å; F620-L645 HydrophobicContact CE2-CD2 4.46Å; F620-L645 HydrophobicContact CZ-CD2 4.06Å; F620-I647 HydrophobicContact CE1-CD1 4.1Å; F620-I647 HydrophobicContact CZ-CD1 4.19Å | |||
| 621 | T | 81.4 | Confident | 75.1 | Confident | 51 Ų | 51 | 64 Ų | 64 | 31% | 0.313 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 132 | 164.4 | 48 | 0 | 0 | 0 | 0 | 110.4 | K633 | T621-K633 PolarHBondContact N-O 3.09Å; T621-K633 PolarHBondContact O-N 2.65Å; T621-K633 WeakPolarHBondContact OG1-CB 2.21Å; T621-K633 PolarHBondContact OG1-O 2.88Å |
| 622 | I | 83.1 | Confident | 76.3 | Confident | 41 Ų | 41 | 62 Ų | 62 | 21% | 0.21 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 120.6 | -175.4 | -60.8 | 172.8 | 0 | 0 | 0 | 107.9 | I614 S616 L630 I631 | I614-I622 VanDerWaalsContact C-CD1 3.5Å; I614-I622 HydrophobicContact CB-CD1 4.07Å; I614-I622 HydrophobicContact CG2-CD1 3.68Å; I614-I622 HydrophobicContact CG2-CG1 4.36Å; I614-I622 WeakPolarHBondContact O-CD1 3.34Å; S616-I622 PolarHBondContact OG-N 3.41Å; S616-I622 VanDerWaalsContact OG-N 3.09Å; I622-L630 HydrophobicContact CG2-CD1 4.27Å; I622-L630 HydrophobicContact CG2-CD2 4.28Å; I622-L630 HydrophobicContact CG2-CG 4.11Å; I622-I631 WeakPolarHBondContact CA-O 3.1Å |
| 623 | T | 81.7 | Confident | 77 | Confident | 62 Ų | 62 | 63.7 Ų | 63.7 | 38% | 0.38 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 144.8 | 178.3 | 41.3 | 0 | 0 | 0 | 0 | 109.7 | P625 I631 | T623-P625 WeakPolarHBondContact O-CD 3.29Å; T623-I631 PolarHBondContact N-O 3.46Å; T623-I631 PolarHBondContact O-N 2.94Å; T623-I631 WeakPolarHBondContact OG1-CB 3.47Å; T623-I631 PolarHBondContact OG1-O 3.38Å |
| 624 | K | 75.6 | Confident | 77.7 | Confident | 127 Ų | 127 | 59.5 Ų | 59.5 | 55% | 0.552 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 88.2 | -179.6 | -74.8 | -176.2 | -174.4 | -179.7 | 0 | 109.2 | N626 L630 | K624-N626 PolarHBondContact O-N 0.91Å; K624-L630 HydrophobicContact CD-CD1 4.34Å; K624-L630 HydrophobicContact CG-CD1 4.16Å; K624-L630 HydrophobicContact CG-CG 4.34Å |
| 625 | P | 72.1 | Confident | 77.8 | Confident | 72 Ų | 72 | 62.6 Ų | 62.6 | 47% | 0.468 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 0 | -174 | -6.4 | 9.4 | 0 | 0 | 0 | 111.7 | T623 R629 I631 | T623-P625 WeakPolarHBondContact O-CD 3.29Å; P625-R629 WeakPolarHBondContact CD-O 3.28Å; P625-R629 HydrophobicContact CG-CB 4.33Å; P625-R629 HydrophobicContact CG-CG 4.31Å; P625-I631 HydrophobicContact CG-CD1 3.67Å; P625-I631 HydrophobicContact CG-CG1 4.13Å |
| 626 | N | 65.9 | Low | 77.8 | Confident | 81 Ų | 81 | 59.9 Ų | 59.9 | 43% | 0.433 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 173.7 | 0 | 57.7 | 44.3 | 0 | 0 | 0 | 110.1 | K624 Q628 R629 | K624-N626 PolarHBondContact O-N 0.91Å; N626-Q628 PolarHBondContact O-N 3.02Å; N626-Q628 PolarHBondContact OD1-N 3.38Å; N626-R629 VanDerWaalsContact CG-CB 3.43Å; N626-R629 PolarHBondContact O-N 3.1Å; N626-R629 VanDerWaalsContact O-N 3.13Å; N626-R629 WeakPolarHBondContact OD1-CA 3.17Å; N626-R629 WeakPolarHBondContact OD1-CB 2.81Å; N626-R629 PolarHBondContact OD1-N 2.97Å | |
| 627 | E | 59.3 | Low | 78.4 | Confident | 137 Ų | 137 | 56.4 Ų | 56.4 | 64% | 0.64 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -8.9 | -170 | -49.7 | -168.6 | 179.4 | 0 | 0 | 110.7 | S603 | S603-E627 WeakPolarHBondContact CA-O 3.36Å; S603-E627 WeakPolarHBondContact CB-O 3.44Å; S603-E627 PolarHBondContact OG-O 3.17Å |
| 628 | Q | 74 | Confident | 79 | Confident | 51 Ų | 51 | 53.8 Ų | 53.8 | 24% | 0.238 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113 | -6.3 | -178.9 | -69.8 | -176.9 | -41.7 | 0 | 0 | 110.5 | L596 S597 R599 T600 P604 N626 | L596-Q628 CarbonylContact C-O 3.51Å; L596-Q628 VanDerWaalsContact CA-O 3.26Å; L596-Q628 WeakPolarHBondContact CA-O 3.35Å; S597-Q628 PolarHBondContact N-O 3.34Å; S597-Q628 VanDerWaalsContact O-CB 3.29Å; S597-Q628 WeakPolarHBondContact O-CB 3.36Å; R599-Q628 VanDerWaalsContact C-NE2 3.26Å; R599-Q628 PolarHBondContact O-NE2 2.8Å; T600-Q628 VanDerWaalsContact CG2-CD 3.41Å; P604-Q628 WeakPolarHBondContact CG-O 3.4Å; N626-Q628 PolarHBondContact O-N 3.02Å; N626-Q628 PolarHBondContact OD1-N 3.38Å |
| 629 | R | 77 | Confident | 79.8 | Confident | 69 Ų | 69 | 47.6 Ų | 47.6 | 26% | 0.26 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 127.7 | -170 | -158.6 | 175.9 | 165.9 | -132.3 | -2.7 | 109 | E594 C595 L596 P625 N626 I631 | E594-R629 HydrophobicContact CG-CG 4.07Å; E594-R629 WeakPolarHBondContact OE1-CD 3.43Å; E594-R629 WeakPolarHBondContact OE1-CG 3.46Å; E594-R629 IonicContact OE1-CZ 3.3Å; E594-R629 IonicContact OE1-NE 3.54Å; E594-R629 PolarHBondContact OE1-NE 3.33Å; E594-R629 IonicContact OE1-NH2 3.33Å; E594-R629 PolarHBondContact OE1-NH2 1.5Å; C595-R629 CarbonylContact O-C 3.45Å; C595-R629 WeakPolarHBondContact O-CA 3.06Å; L596-R629 HydrophobicContact CD1-CG 4.17Å; P625-R629 WeakPolarHBondContact CD-O 3.28Å; P625-R629 HydrophobicContact CG-CB 4.33Å; P625-R629 HydrophobicContact CG-CG 4.31Å; N626-R629 VanDerWaalsContact CG-CB 3.43Å; N626-R629 PolarHBondContact O-N 3.1Å; N626-R629 VanDerWaalsContact O-N 3.13Å; N626-R629 WeakPolarHBondContact OD1-CA 3.17Å; N626-R629 WeakPolarHBondContact OD1-CB 2.81Å; N626-R629 PolarHBondContact OD1-N 2.97Å; R629-I631 VanDerWaalsContact CZ-CD1 3.41Å; R629-I631 VanDerWaalsContact NH2-CD1 3.33Å |
| 630 | L | 86.1 | Confident | 80 | Confident | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 0 | 176.3 | -174.7 | 136.8 | 0 | 0 | 0 | 109 | E594 C595 P604 A606 I622 K624 I632 | E594-L630 CarbonylContact C-O 3.55Å; C595-L630 HydrophobicContact CB-CB 3.95Å; C595-L630 HydrophobicContact CB-CD2 4.28Å; C595-L630 PolarHBondContact N-O 3.32Å; C595-L630 PolarHBondContact O-N 2.27Å; P604-L630 HydrophobicContact CB-CB 4.47Å; P604-L630 HydrophobicContact CG-CB 3.96Å; P604-L630 WeakPolarHBondContact O-CD1 3.23Å; A606-L630 HydrophobicContact CB-CD2 3.62Å; I622-L630 HydrophobicContact CG2-CD1 4.27Å; I622-L630 HydrophobicContact CG2-CD2 4.28Å; I622-L630 HydrophobicContact CG2-CG 4.11Å; K624-L630 HydrophobicContact CD-CD1 4.34Å; K624-L630 HydrophobicContact CG-CD1 4.16Å; K624-L630 HydrophobicContact CG-CG 4.34Å; L630-I632 HydrophobicContact CD2-CD1 3.89Å; L630-I632 HydrophobicContact CD2-CG1 3.56Å |
| 631 | I | 87.8 | Confident | 79.9 | Confident | 11 Ų | 11 | 45.7 Ų | 45.7 | 6% | 0.056 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | 0 | 123.9 | 0 | -61.8 | 176 | 0 | 0 | 0 | 108.5 | E592 I593 E594 I622 T623 P625 R629 K633 | E592-I631 HydrophobicContact CB-CG2 4.22Å; I593-I631 CarbonylContact O-C 3.44Å; I593-I631 WeakPolarHBondContact O-CA 3.49Å; E594-I631 HydrophobicContact CG-CG1 4.3Å; I622-I631 WeakPolarHBondContact CA-O 3.1Å; T623-I631 PolarHBondContact N-O 3.46Å; T623-I631 PolarHBondContact O-N 2.94Å; T623-I631 WeakPolarHBondContact OG1-CB 3.47Å; T623-I631 PolarHBondContact OG1-O 3.38Å; P625-I631 HydrophobicContact CG-CD1 3.67Å; P625-I631 HydrophobicContact CG-CG1 4.13Å; R629-I631 VanDerWaalsContact CZ-CD1 3.41Å; R629-I631 VanDerWaalsContact NH2-CD1 3.33Å; I631-K633 HydrophobicContact CG2-CD 4.37Å; I631-K633 HydrophobicContact CG2-CG 3.77Å | |
| 632 | I | 89.2 | Confident | 80.1 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 0 | 174.7 | -54.6 | 159.5 | 0 | 0 | 0 | 109.2 | E592 I593 A606 I614 F620 L630 I647 | E592-I632 CarbonylContact C-O 3.46Å; E592-I632 WeakPolarHBondContact CA-O 3.42Å; I593-I632 HydrophobicContact CB-CB 4.28Å; I593-I632 PolarHBondContact N-O 2.74Å; I593-I632 PolarHBondContact O-N 1.05Å; A606-I632 HydrophobicContact CB-CD1 3.16Å; A606-I632 HydrophobicContact CB-CG1 3.9Å; I614-I632 HydrophobicContact CD1-CD1 4.44Å; F620-I632 HydrophobicContact CB-CG2 4.23Å; F620-I632 HydrophobicContact CD1-CG2 3.68Å; F620-I632 HydrophobicContact CE1-CG2 4.41Å; F620-I632 HydrophobicContact CG-CG2 4.22Å; L630-I632 HydrophobicContact CD2-CD1 3.89Å; L630-I632 HydrophobicContact CD2-CG1 3.56Å; I632-I647 HydrophobicContact CD1-CG2 3.82Å |
| 633 | K | 86.3 | Confident | 80.1 | Confident | 73 Ų | 73 | 41.6 Ų | 41.6 | 32% | 0.317 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | 0 | 133.4 | 0 | -70.7 | -176.7 | -176.9 | -179 | 0 | 110.7 | E592 F620 T621 I631 T635 | E592-K633 HydrophobicContact CB-CG 3.75Å; E592-K633 VanDerWaalsContact OE2-CE 3.26Å; E592-K633 WeakPolarHBondContact OE2-CE 3.47Å; F620-K633 CarbonylContact C-O 3.53Å; F620-K633 VanDerWaalsContact CA-O 3.23Å; F620-K633 WeakPolarHBondContact CA-O 3.11Å; T621-K633 PolarHBondContact N-O 3.09Å; T621-K633 PolarHBondContact O-N 2.65Å; T621-K633 WeakPolarHBondContact OG1-CB 2.21Å; T621-K633 PolarHBondContact OG1-O 2.88Å; I631-K633 HydrophobicContact CG2-CD 4.37Å; I631-K633 HydrophobicContact CG2-CG 3.77Å; K633-T635 HydrophobicContact CB-CG2 4.38Å | |
| 634 | A | 85.6 | Confident | 80 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 85.3 | 167 | 0 | 0 | 0 | 0 | 0 | 109.2 | P590 F591 F620 D636 G637 L638 | P590-A634 WeakPolarHBondContact CA-O 2.43Å; F591-A634 HydrophobicContact CD1-CB 3.97Å; F591-A634 HydrophobicContact CE1-CB 3.55Å; F591-A634 HydrophobicContact CE2-CB 4.3Å; F591-A634 HydrophobicContact CZ-CB 3.74Å; F591-A634 PolarHBondContact N-O 2.65Å; F591-A634 PolarHBondContact O-N 2.5Å; F620-A634 HydrophobicContact CD1-CB 4.25Å; F620-A634 HydrophobicContact CE1-CB 4.26Å; A634-D636 PolarHBondContact O-N 3.38Å; A634-G637 PolarHBondContact O-N 2.8Å; A634-L638 HydrophobicContact CB-CG 4.49Å |
| 635 | T | 79 | Confident | 80.4 | Confident | 76 Ų | 76 | 32.7 Ų | 32.7 | 47% | 0.466 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 0 | -166.1 | 46.7 | 0 | 0 | 0 | 0 | 110.6 | P590 K633 | P590-T635 VanDerWaalsContact CB-O 3.23Å; P590-T635 WeakPolarHBondContact CB-O 3.29Å; P590-T635 WeakPolarHBondContact CG-O 1.66Å; K633-T635 HydrophobicContact CB-CG2 4.38Å |
| 636 | D | 76.2 | Confident | 81.1 | Confident | 84 Ų | 84 | 31.6 Ų | 31.6 | 45% | 0.449 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -69.4 | -34.7 | 0 | 0 | 0 | 110.3 | F588 A634 | F588-D636 CarbonylContact C-O 3.29Å; A634-D636 PolarHBondContact O-N 3.38Å | |
| 637 | G | 83.9 | Confident | 82.1 | Confident | 8 Ų | 8 | 27.7 Ų | 27.7 | 8% | 0.082 | 14% | 0.135 | C | C | . | . | 0 | 167.3 | 0 | 0 | 0 | 0 | 0 | 0 | 111.9 | H589 A634 | H589-G637 WeakPolarHBondContact O-CA 3.34Å; A634-G637 PolarHBondContact O-N 2.8Å | |||
| 638 | L | 86.2 | Confident | 83.4 | Confident | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | trans | -117.1 | 149.6 | -177.4 | -67.9 | 170.2 | 0 | 0 | 0 | 109.8 | A587 F588 F591 R619 F620 A634 Y642 L661 I663 | A587-L638 WeakPolarHBondContact CA-O 3.14Å; F588-L638 PolarHBondContact N-O 3.37Å; F591-L638 HydrophobicContact CE1-CD1 3.95Å; F591-L638 HydrophobicContact CE1-CG 4.18Å; F591-L638 HydrophobicContact CZ-CD1 3.79Å; F591-L638 HydrophobicContact CZ-CG 4.46Å; R619-L638 HydrophobicContact CB-CD2 4.21Å; F620-L638 HydrophobicContact CE1-CD1 4.11Å; F620-L638 HydrophobicContact CZ-CD1 3.75Å; F620-L638 HydrophobicContact CZ-CD2 4.44Å; A634-L638 HydrophobicContact CB-CG 4.49Å; L638-Y642 HydrophobicContact CB-CD2 4.02Å; L638-Y642 HydrophobicContact CB-CG 4.37Å; L638-Y642 HydrophobicContact CD2-CD2 4.09Å; L638-Y642 HydrophobicContact CD2-CE2 4.19Å; L638-Y642 HydrophobicContact CD2-CG 4.42Å; L638-L661 HydrophobicContact CD1-CD1 3.85Å; L638-I663 HydrophobicContact CB-CD1 3.63Å; L638-I663 HydrophobicContact CD1-CD1 4.33Å | ||
| 639 | S | 85.7 | Confident | 84 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | -70.1 | 162.2 | 175.9 | 169.4 | 0 | 0 | 0 | 0 | 111.2 | V641 Y642 I663 F702 | S639-V641 PolarHBondContact O-N 3.39Å; S639-V641 WeakPolarHBondContact OG-CG2 2.25Å; S639-V641 PolarHBondContact OG-N 3.16Å; S639-Y642 PolarHBondContact O-N 3.37Å; S639-Y642 VanDerWaalsContact O-N 3.08Å; S639-I663 WeakPolarHBondContact O-CD1 1.71Å; S639-F702 WeakPolarHBondContact OG-CD1 3.41Å; S639-F702 WeakPolarHBondContact OG-CE1 2.68Å; S639-F702 VanDerWaalsContact OG-CZ 3.31Å; S639-F702 WeakPolarHBondContact OG-CZ 2.77Å | ||
| 640 | S | 81.2 | Confident | 84 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -65.8 | 0 | -178.2 | 57.7 | 0 | 0 | 0 | 0 | 111.3 | Y642 N643 T712 | S640-Y642 PolarHBondContact O-N 2.71Å; S640-N643 WeakPolarHBondContact O-CB 3.07Å; S640-N643 PolarHBondContact O-N 2.83Å; S640-T712 WeakPolarHBondContact O-CG2 2.8Å |
| 641 | V | 80.5 | Confident | 83.4 | Confident | 7 Ų | 7 | 20.7 Ų | 20.7 | 4% | 0.042 | 10% | 0.102 | C | C | . | . | G | 310 helix | 0 | 0 | 0 | -72.7 | 0 | 0 | 0 | 0 | 109.4 | S639 N643 I685 F702 A705 T708 R789 | S639-V641 PolarHBondContact O-N 3.39Å; S639-V641 WeakPolarHBondContact OG-CG2 2.25Å; S639-V641 PolarHBondContact OG-N 3.16Å; V641-N643 VanDerWaalsContact C-N 3.28Å; V641-I685 HydrophobicContact CG1-CD1 4.17Å; V641-F702 HydrophobicContact CG1-CD1 4.36Å; V641-F702 HydrophobicContact CG2-CD1 4.12Å; V641-A705 HydrophobicContact CG2-CB 4.48Å; V641-T708 HydrophobicContact CB-CG2 4.48Å; V641-R789 WeakPolarHBondContact O-CD 3.12Å | |
| 642 | Y | 85.6 | Confident | 82.3 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | G | 310 helix | 0 | 0 | 0 | -73.2 | -85 | 0 | 0 | 0 | 110.3 | R619 L638 S639 S640 G644 L645 S701 A705 | R619-Y642 WeakPolarHBondContact CD-OH 3.31Å; L638-Y642 HydrophobicContact CB-CD2 4.02Å; L638-Y642 HydrophobicContact CB-CG 4.37Å; L638-Y642 HydrophobicContact CD2-CD2 4.09Å; L638-Y642 HydrophobicContact CD2-CE2 4.19Å; L638-Y642 HydrophobicContact CD2-CG 4.42Å; S639-Y642 PolarHBondContact O-N 3.37Å; S639-Y642 VanDerWaalsContact O-N 3.08Å; S640-Y642 PolarHBondContact O-N 2.71Å; Y642-G644 PolarHBondContact O-N 1.21Å; Y642-G644 VanDerWaalsContact O-N 3.17Å; Y642-L645 HydrophobicContact CD1-CD2 4.23Å; Y642-L645 VanDerWaalsContact O-CB 3.29Å; Y642-L645 WeakPolarHBondContact O-CB 3.26Å; Y642-L645 PolarHBondContact O-N 2.32Å; Y642-L645 VanDerWaalsContact O-N 3.1Å; Y642-S701 WeakPolarHBondContact CE2-O 3.11Å; Y642-S701 PolarHBondContact OH-O 3.04Å; Y642-S701 VanDerWaalsContact OH-O 3.1Å; Y642-A705 HydrophobicContact CE1-CB 4.26Å | |
| 643 | N | 84 | Confident | 80.9 | Confident | 6 Ų | 6 | 27.6 Ų | 27.6 | 3% | 0.032 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -173.8 | 48.8 | 0 | 0 | 0 | 111.3 | S640 V641 Y662 I663 T712 T790 | S640-N643 WeakPolarHBondContact O-CB 3.07Å; S640-N643 PolarHBondContact O-N 2.83Å; V641-N643 VanDerWaalsContact C-N 3.28Å; N643-Y662 VanDerWaalsContact OD1-CA 3.32Å; N643-Y662 WeakPolarHBondContact OD1-CA 3.29Å; N643-I663 PolarHBondContact OD1-N 3.31Å; N643-T712 HydrophobicContact CB-CG2 4.48Å; N643-T790 PolarHBondContact ND2-O 2.59Å; N643-T790 PolarHBondContact O-N 2.74Å | |
| 644 | G | 78.9 | Confident | 79.7 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | 0 | -0.6 | 0 | 0 | 0 | 0 | 0 | 0 | 111 | Y642 L661 T790 | Y642-G644 PolarHBondContact O-N 1.21Å; Y642-G644 VanDerWaalsContact O-N 3.17Å; G644-L661 WeakPolarHBondContact CA-O 1.95Å; G644-L661 PolarHBondContact N-O 3.49Å; G644-T790 WeakPolarHBondContact CA-OG1 2.57Å | |
| 645 | L | 84.9 | Confident | 78.6 | Confident | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | trans | -61.9 | 0 | 178.6 | -177.4 | 69.8 | 0 | 0 | 0 | 110.6 | F608 F620 Y642 L661 | F608-L645 HydrophobicContact CD1-CD1 4.18Å; F608-L645 HydrophobicContact CD1-CG 4.49Å; F608-L645 HydrophobicContact CE1-CD1 4.37Å; F608-L645 HydrophobicContact CE1-CD2 4.07Å; F620-L645 HydrophobicContact CE2-CD2 4.46Å; F620-L645 HydrophobicContact CZ-CD2 4.06Å; Y642-L645 HydrophobicContact CD1-CD2 4.23Å; Y642-L645 VanDerWaalsContact O-CB 3.29Å; Y642-L645 WeakPolarHBondContact O-CB 3.26Å; Y642-L645 PolarHBondContact O-N 2.32Å; Y642-L645 VanDerWaalsContact O-N 3.1Å; L645-L661 HydrophobicContact CB-CD1 4.16Å; L645-L661 HydrophobicContact CD2-CD1 3.99Å; L645-L661 HydrophobicContact CG-CD1 4.46Å; L645-L661 PolarHBondContact O-N 3.17Å | ||
| 646 | R | 86.1 | Confident | 78.7 | Confident | 48 Ų | 48 | 32.5 Ų | 32.5 | 18% | 0.181 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | 0 | 127.8 | 0 | -73 | 179 | -171.3 | -172.9 | -0.2 | 109.5 | F608 G609 E658 V659 T660 E780 | F608-R646 CarbonylContact C-O 3.37Å; G609-R646 PolarHBondContact N-O 2.84Å; R646-E658 HydrophobicContact CB-CG 4.08Å; R646-E658 VanDerWaalsContact CD-OE1 3.23Å; R646-E658 WeakPolarHBondContact CD-OE1 3.1Å; R646-E658 IonicContact NE-OE1 3.67Å; R646-E658 IonicContact NH1-OE1 2.32Å; R646-V659 WeakPolarHBondContact CA-O 3.43Å; R646-T660 HydrophobicContact CG-CG2 4.43Å; R646-E780 IonicContact NH2-OE2 2.09Å; R646-E780 PolarHBondContact NH2-OE2 2.72Å | |
| 647 | I | 87.5 | Confident | 78.7 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 0 | 177.2 | -64.9 | 177.7 | 0 | 0 | 0 | 109 | M578 I593 I614 F620 I632 E658 V659 L661 | M578-I647 HydrophobicContact CE-CB 4.44Å; M578-I647 HydrophobicContact CE-CG2 4.26Å; M578-I647 WeakPolarHBondContact CE-O 3.05Å; I593-I647 HydrophobicContact CD1-CB 4.47Å; I593-I647 HydrophobicContact CD1-CD1 3.71Å; I614-I647 HydrophobicContact CD1-CB 4.34Å; I614-I647 HydrophobicContact CD1-CD1 4.43Å; I614-I647 HydrophobicContact CD1-CG1 4.13Å; I614-I647 HydrophobicContact CD1-CG2 3.48Å; I614-I647 VanDerWaalsContact CD1-CG2 3.48Å; F620-I647 HydrophobicContact CE1-CD1 4.1Å; F620-I647 HydrophobicContact CZ-CD1 4.19Å; I632-I647 HydrophobicContact CD1-CG2 3.82Å; I647-E658 CarbonylContact O-C 3.5Å; I647-E658 WeakPolarHBondContact O-CA 3.5Å; I647-V659 HydrophobicContact CB-CG1 3.91Å; I647-V659 PolarHBondContact N-O 3Å; I647-V659 WeakPolarHBondContact O-CG1 3.24Å; I647-V659 PolarHBondContact O-N 3.11Å; I647-L661 HydrophobicContact CD1-CD1 4.19Å |
| 648 | R | 86.2 | Confident | 78.7 | Confident | 65 Ų | 65 | 34.6 Ų | 34.6 | 25% | 0.245 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | 0 | 132.2 | 0 | -80.6 | 179.9 | -156.7 | 168.3 | -0.9 | 109.5 | A606 I607 G609 Y656 K657 E658 | A606-R648 CarbonylContact C-O 3.33Å; A606-R648 VanDerWaalsContact CA-O 3.28Å; A606-R648 WeakPolarHBondContact CA-O 1.96Å; I607-R648 HydrophobicContact CD1-CB 4.41Å; I607-R648 HydrophobicContact CG1-CB 3.78Å; I607-R648 PolarHBondContact N-O 3.47Å; I607-R648 PolarHBondContact O-N 3.24Å; G609-R648 PolarHBondContact O-NH1 3.24Å; G609-R648 PolarHBondContact O-NH2 3.06Å; R648-Y656 HydrophobicContact CG-CD2 4.18Å; R648-K657 CarbonylContact C-O 3.53Å; R648-K657 WeakPolarHBondContact CA-O 3.32Å; R648-E658 WeakPolarHBondContact CD-OE2 3.48Å; R648-E658 HydrophobicContact CG-CB 3.56Å; R648-E658 HydrophobicContact CG-CG 3.5Å; R648-E658 VanDerWaalsContact CG-OE2 3.31Å; R648-E658 WeakPolarHBondContact CG-OE2 3.29Å; R648-E658 IonicContact CZ-OE2 2.8Å; R648-E658 IonicContact NE-OE2 2.86Å; R648-E658 PolarHBondContact NE-OE2 2.66Å; R648-E658 IonicContact NH2-OE2 3.06Å; R648-E658 PolarHBondContact NH2-OE2 3.38Å; R648-E658 VanDerWaalsContact NH2-OE2 3.13Å | |
| 649 | C | 86.2 | Confident | 78.5 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 126.6 | 166.8 | -69 | 0 | 0 | 0 | 0 | 110.5 | L576 M578 C595 I605 Y656 K657 | L576-C649 HydrophobicContact CD1-CB 4.37Å; L576-C649 HydrophobicContact CD2-CB 3.77Å; L576-C649 WeakPolarHBondContact CD2-O 3.4Å; L576-C649 HydrophobicContact CG-CB 4.26Å; M578-C649 HydrophobicContact CG-CB 4.41Å; M578-C649 HydrophobicContact SD-CB 4.2Å; C595-C649 HydrophobicContact CB-CB 3.72Å; C595-C649 WeakPolarHBondContact CB-SG 2.9Å; C595-C649 WeakPolarHBondContact SG-CB 3.46Å; C595-C649 CovalentContact SG-SG 1.63Å; C595-C649 PolarHBondContact SG-SG 3.02Å; I605-C649 CarbonylContact O-C 3.42Å; I605-C649 WeakPolarHBondContact O-CA 3.48Å; C649-Y656 CarbonylContact O-C 3.48Å; C649-Y656 WeakPolarHBondContact O-CA 3.42Å; C649-Y656 WeakPolarHBondContact O-CB 2.97Å; C649-K657 PolarHBondContact N-O 2.92Å; C649-K657 PolarHBondContact O-N 3.17Å |
| 650 | M | 77.4 | Confident | 78.3 | Confident | 47 Ų | 47 | 35.8 Ų | 35.8 | 23% | 0.232 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 143.8 | -174.1 | 60 | -177.2 | -62 | 0 | 0 | 109 | P604 I605 I607 | P604-M650 CarbonylContact C-O 3.54Å; P604-M650 VanDerWaalsContact CA-O 3.27Å; P604-M650 WeakPolarHBondContact CA-O 3.47Å; I605-M650 HydrophobicContact CB-CG 3.93Å; I605-M650 HydrophobicContact CD1-CB 4.4Å; I605-M650 HydrophobicContact CD1-CE 3.48Å; I605-M650 VanDerWaalsContact CD1-CE 3.48Å; I605-M650 HydrophobicContact CD1-CG 2.96Å; I605-M650 HydrophobicContact CD1-SD 2.88Å; I605-M650 WeakPolarHBondContact CD1-SD 1.55Å; I605-M650 HydrophobicContact CG1-CB 3.95Å; I605-M650 HydrophobicContact CG1-CE 4.26Å; I605-M650 HydrophobicContact CG1-CG 2.58Å; I605-M650 VanDerWaalsContact CG1-O 3.26Å; I605-M650 WeakPolarHBondContact CG1-O 3.27Å; I605-M650 HydrophobicContact CG1-SD 3.41Å; I605-M650 WeakPolarHBondContact CG1-SD 3.09Å; I605-M650 PolarHBondContact N-O 3.47Å; I605-M650 WeakPolarHBondContact O-CG 2.3Å; I605-M650 PolarHBondContact O-N 2.86Å; I607-M650 HydrophobicContact CD1-CG 4.45Å; I607-M650 HydrophobicContact CD1-SD 3.27Å; I607-M650 WeakPolarHBondContact CD1-SD 3.13Å; I607-M650 HydrophobicContact CG1-SD 3.84Å; I607-M650 HydrophobicContact CG2-SD 3.9Å |
| 651 | L | 73.7 | Confident | 78.5 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 102.4 | 164.7 | -76.8 | 167 | 0 | 0 | 0 | 110.3 | D575 L576 S597 L602 P604 G653 L654 N655 | D575-L651 HydrophobicContact CB-CD1 3.17Å; D575-L651 WeakPolarHBondContact O-CD1 3.19Å; L576-L651 HydrophobicContact CB-CD1 3.61Å; L576-L651 HydrophobicContact CB-CG 4Å; L576-L651 HydrophobicContact CD1-CD1 4.06Å; L576-L651 HydrophobicContact CD1-CD2 4.27Å; L576-L651 HydrophobicContact CD1-CG 3.6Å; L576-L651 HydrophobicContact CG-CD1 4.44Å; L576-L651 HydrophobicContact CG-CG 4.3Å; S597-L651 WeakPolarHBondContact OG-CD2 2.84Å; L602-L651 HydrophobicContact CB-CD2 3.42Å; L602-L651 VanDerWaalsContact CB-CD2 3.42Å; P604-L651 HydrophobicContact CB-CD2 4.38Å; L651-G653 PolarHBondContact O-N 3.26Å; L651-L654 HydrophobicContact CB-CB 3.87Å; L651-L654 HydrophobicContact CB-CD1 3.98Å; L651-L654 HydrophobicContact CD1-CD1 4.38Å; L651-L654 PolarHBondContact O-N 3.25Å; L651-N655 WeakPolarHBondContact CD1-OD1 3.31Å; L651-N655 PolarHBondContact N-O 3.44Å |
| 652 | P | 63.6 | Low | 78.5 | Confident | 66 Ų | 66 | 37.2 Ų | 37.2 | 43% | 0.429 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -42.2 | 0 | -175.2 | -11.2 | 18.7 | 0 | 0 | 0 | 111.6 | I605 L654 | I605-P652 HydrophobicContact CD1-CG 4.16Å; I605-P652 HydrophobicContact CG1-CG 4.26Å; I605-P652 HydrophobicContact CG2-CG 4.44Å; P652-L654 VanDerWaalsContact C-N 3.3Å; P652-L654 PolarHBondContact O-N 2.77Å |
| 653 | G | 60.5 | Low | 78.5 | Confident | 90 Ų | 90 | 37.4 Ų | 37.4 | 93% | 0.928 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | 0 | -6.1 | 0 | 0 | 0 | 0 | 0 | 0 | 111 | L651 | L651-G653 PolarHBondContact O-N 3.26Š| |
| 654 | L | 61.8 | Low | 78.1 | Confident | 62 Ų | 62 | 42.1 Ų | 42.1 | 33% | 0.325 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | -71.7 | -175.5 | -82.8 | 145.8 | 0 | 0 | 0 | 110.2 | D575 L602 L651 P652 | D575-L654 WeakPolarHBondContact OD2-CD2 3.09Å; L602-L654 HydrophobicContact CB-CD1 4.32Å; L602-L654 HydrophobicContact CD1-CD1 2.29Å; L602-L654 HydrophobicContact CD1-CD2 4.35Å; L602-L654 HydrophobicContact CD1-CG 3.76Å; L602-L654 HydrophobicContact CD2-CD1 3.92Å; L602-L654 HydrophobicContact CG-CD1 3.61Å; L651-L654 HydrophobicContact CB-CB 3.87Å; L651-L654 HydrophobicContact CB-CD1 3.98Å; L651-L654 HydrophobicContact CD1-CD1 4.38Å; L651-L654 PolarHBondContact O-N 3.25Å; P652-L654 VanDerWaalsContact C-N 3.3Å; P652-L654 PolarHBondContact O-N 2.77Å |
| 655 | N | 62.2 | Low | 77.9 | Confident | 41 Ų | 41 | 43.5 Ų | 43.5 | 22% | 0.219 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 0 | -175.6 | 54.6 | -8.6 | 0 | 0 | 0 | 109.6 | G573 V574 D575 L651 | G573-N655 PolarHBondContact O-ND2 2.96Å; V574-N655 WeakPolarHBondContact CA-ND2 3.03Å; D575-N655 PolarHBondContact N-ND2 1.85Å; L651-N655 WeakPolarHBondContact CD1-OD1 3.31Å; L651-N655 PolarHBondContact N-O 3.44Å |
| 656 | Y | 79.8 | Confident | 77.5 | Confident | 149 Ų | 149 | 49.1 Ų | 49.1 | 58% | 0.584 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | 68.4 | -88.8 | 0 | 0 | 0 | 109.4 | R648 C649 | R648-Y656 HydrophobicContact CG-CD2 4.18Å; C649-Y656 CarbonylContact O-C 3.48Å; C649-Y656 WeakPolarHBondContact O-CA 3.42Å; C649-Y656 WeakPolarHBondContact O-CB 2.97Å | |
| 657 | K | 77.3 | Confident | 76.9 | Confident | 74 Ų | 74 | 47.6 Ų | 47.6 | 32% | 0.322 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 144.1 | 0 | -78.3 | -157.3 | 174.2 | -172.3 | 0 | 109.5 | L576 M578 R648 C649 | L576-K657 HydrophobicContact CD2-CB 4.41Å; L576-K657 WeakPolarHBondContact O-CE 3.49Å; M578-K657 HydrophobicContact CB-CB 3.93Å; M578-K657 HydrophobicContact CB-CD 4.15Å; M578-K657 HydrophobicContact SD-CB 4.27Å; R648-K657 CarbonylContact C-O 3.53Å; R648-K657 WeakPolarHBondContact CA-O 3.32Å; C649-K657 PolarHBondContact N-O 2.92Å; C649-K657 PolarHBondContact O-N 3.17Å | |
| 658 | E | 83.1 | Confident | 76 | Confident | 62 Ų | 62 | 51.6 Ų | 51.6 | 29% | 0.29 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 140.5 | -173.8 | -174.6 | 177.1 | 83.5 | 0 | 0 | 109.9 | R646 I647 R648 | R646-E658 HydrophobicContact CB-CG 4.08Å; R646-E658 VanDerWaalsContact CD-OE1 3.23Å; R646-E658 WeakPolarHBondContact CD-OE1 3.1Å; R646-E658 IonicContact NE-OE1 3.67Å; R646-E658 IonicContact NH1-OE1 2.32Å; I647-E658 CarbonylContact O-C 3.5Å; I647-E658 WeakPolarHBondContact O-CA 3.5Å; R648-E658 WeakPolarHBondContact CD-OE2 3.48Å; R648-E658 HydrophobicContact CG-CB 3.56Å; R648-E658 HydrophobicContact CG-CG 3.5Å; R648-E658 VanDerWaalsContact CG-OE2 3.31Å; R648-E658 WeakPolarHBondContact CG-OE2 3.29Å; R648-E658 IonicContact CZ-OE2 2.8Å; R648-E658 IonicContact NE-OE2 2.86Å; R648-E658 PolarHBondContact NE-OE2 2.66Å; R648-E658 IonicContact NH2-OE2 3.06Å; R648-E658 PolarHBondContact NH2-OE2 3.38Å; R648-E658 VanDerWaalsContact NH2-OE2 3.13Å |
| 659 | V | 82.2 | Confident | 74.8 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 139.4 | 176.2 | 66.6 | 0 | 0 | 0 | 0 | 109.1 | M578 N581 I583 I593 R646 I647 | M578-V659 HydrophobicContact CE-CB 3.25Å; M578-V659 HydrophobicContact CE-CG1 2.68Å; M578-V659 HydrophobicContact CE-CG2 4.47Å; M578-V659 HydrophobicContact SD-CB 3.89Å; M578-V659 HydrophobicContact SD-CG1 3.98Å; N581-V659 WeakPolarHBondContact O-CG2 3.39Å; I583-V659 HydrophobicContact CG1-CG2 4.29Å; I593-V659 HydrophobicContact CD1-CG1 3.83Å; R646-V659 WeakPolarHBondContact CA-O 3.43Å; I647-V659 HydrophobicContact CB-CG1 3.91Å; I647-V659 PolarHBondContact N-O 3Å; I647-V659 WeakPolarHBondContact O-CG1 3.24Å; I647-V659 PolarHBondContact O-N 3.11Å |
| 660 | T | 80.7 | Confident | 73.9 | Confident | 29 Ų | 29 | 54.1 Ų | 54.1 | 18% | 0.178 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 0 | 177.3 | -55.8 | 0 | 0 | 0 | 0 | 109.8 | R646 Y662 | R646-T660 HydrophobicContact CG-CG2 4.43Å; T660-Y662 HydrophobicContact CG2-CE1 4.46Å; T660-Y662 HydrophobicContact CG2-CE2 4.17Å |
| 661 | L | 85.7 | Confident | 74 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 125 | 0 | -56.8 | 176.6 | 0 | 0 | 0 | 110.7 | I583 F591 I593 L638 G644 L645 I647 I663 | I583-L661 HydrophobicContact CB-CD2 3.71Å; I583-L661 HydrophobicContact CD1-CD2 3.39Å; I583-L661 HydrophobicContact CG1-CD2 4.07Å; I583-L661 HydrophobicContact CG2-CD2 4.02Å; F591-L661 HydrophobicContact CE2-CD1 4.39Å; F591-L661 HydrophobicContact CE2-CD2 3.94Å; F591-L661 HydrophobicContact CZ-CD1 3.86Å; F591-L661 HydrophobicContact CZ-CD2 4.1Å; I593-L661 HydrophobicContact CD1-CD2 4.32Å; L638-L661 HydrophobicContact CD1-CD1 3.85Å; G644-L661 WeakPolarHBondContact CA-O 1.95Å; G644-L661 PolarHBondContact N-O 3.49Å; L645-L661 HydrophobicContact CB-CD1 4.16Å; L645-L661 HydrophobicContact CD2-CD1 3.99Å; L645-L661 HydrophobicContact CG-CD1 4.46Å; L645-L661 PolarHBondContact O-N 3.17Å; I647-L661 HydrophobicContact CD1-CD1 4.19Å; L661-I663 HydrophobicContact CB-CG1 4.5Å | |
| 662 | Y | 81.1 | Confident | 74.1 | Confident | 36 Ų | 36 | 54.6 Ų | 54.6 | 14% | 0.141 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 106.3 | 174.5 | -67.2 | -80.6 | 0 | 0 | 0 | 109.1 | I582 I583 Y584 I585 N643 T660 R778 I792 | I582-Y662 HydrophobicContact CG2-CD2 4.43Å; I582-Y662 HydrophobicContact CG2-CE2 4.46Å; I583-Y662 PolarHBondContact O-N 2.91Å; Y584-Y662 WeakPolarHBondContact CA-O 2.72Å; Y584-Y662 HydrophobicContact CD1-CD2 4.11Å; Y584-Y662 HydrophobicContact CD1-CG 4.01Å; Y584-Y662 HydrophobicContact CE1-CD1 4.39Å; Y584-Y662 AromaticContact CE1-CD2 3.61Å; Y584-Y662 HydrophobicContact CE1-CD2 3.61Å; Y584-Y662 HydrophobicContact CE1-CE2 4.31Å; Y584-Y662 AromaticContact CE1-CG 3.66Å; Y584-Y662 HydrophobicContact CE1-CG 3.66Å; Y584-Y662 HydrophobicContact CE2-CD2 4.24Å; Y584-Y662 AromaticContact CZ-CD2 3.67Å; I585-Y662 PolarHBondContact N-O 3.4Å; N643-Y662 VanDerWaalsContact OD1-CA 3.32Å; N643-Y662 WeakPolarHBondContact OD1-CA 3.29Å; T660-Y662 HydrophobicContact CG2-CE1 4.46Å; T660-Y662 HydrophobicContact CG2-CE2 4.17Å; Y662-R778 PolarHBondContact OH-NH1 3.44Å; Y662-I792 HydrophobicContact CD1-CD1 4.47Å |
| 663 | I | 85.3 | Confident | 75 | Confident | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 122.4 | -173.8 | -57.6 | 173.5 | 0 | 0 | 0 | 109.1 | I585 A587 L638 S639 N643 L661 | I585-I663 HydrophobicContact CG1-CG1 4.4Å; I585-I663 CarbonylContact O-C 3.47Å; I585-I663 WeakPolarHBondContact O-CA 3.2Å; A587-I663 VanDerWaalsContact CA-CG2 3.49Å; A587-I663 HydrophobicContact CB-CG2 4.04Å; L638-I663 HydrophobicContact CB-CD1 3.63Å; L638-I663 HydrophobicContact CD1-CD1 4.33Å; S639-I663 WeakPolarHBondContact O-CD1 1.71Å; N643-I663 PolarHBondContact OD1-N 3.31Å; L661-I663 HydrophobicContact CB-CG1 4.5Å |
| 664 | M | 75.6 | Confident | 76 | Confident | 106 Ų | 106 | 47.4 Ų | 47.4 | 52% | 0.522 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 135.8 | -175.7 | -62.2 | -123.6 | -121.5 | 0 | 0 | 109.6 | I585 P586 A587 | I585-M664 PolarHBondContact O-N 3.06Å; P586-M664 CarbonylContact C-O 3.53Å; P586-M664 VanDerWaalsContact CA-O 3.28Å; P586-M664 WeakPolarHBondContact CA-O 2.8Å; A587-M664 PolarHBondContact N-O 2.31Å |
| 665 | D | 74 | Confident | 76.9 | Confident | 28 Ų | 28 | 50 Ų | 50 | 15% | 0.15 | 25% | 0.253 | C | S | . | . | trans | -105.9 | 146.7 | 176.3 | 116.8 | -8.1 | 0 | 0 | 0 | 110 | C667 Q673 | D665-C667 VanDerWaalsContact CG-CB 3.45Å; D665-C667 WeakPolarHBondContact OD1-CA 3.22Å; D665-C667 WeakPolarHBondContact OD1-CB 3.34Å; D665-C667 PolarHBondContact OD1-N 3.12Å; D665-C667 WeakPolarHBondContact OD2-CB 3.27Å; D665-C667 PolarHBondContact OD2-N 3.36Å; D665-Q673 HydrophobicContact CB-CB 4.32Å | ||
| 666 | I | 76.8 | Confident | 77.7 | Confident | 121 Ų | 121 | 51 Ų | 51 | 62% | 0.621 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -84 | 0 | -179.6 | 52.8 | 170 | 0 | 0 | 0 | 109.5 | Q673 | I666-Q673 HydrophobicContact CG1-CG 4.41Š|
| 667 | C | 74.3 | Confident | 77.6 | Confident | 17 Ų | 17 | 52.6 Ų | 52.6 | 12% | 0.115 | 27% | 0.266 | C | S | . | . | S | Bend | 0 | 158.2 | 0 | -59.4 | 0 | 0 | 0 | 0 | 111.2 | D665 Q671 Q673 C679 | D665-C667 VanDerWaalsContact CG-CB 3.45Å; D665-C667 WeakPolarHBondContact OD1-CA 3.22Å; D665-C667 WeakPolarHBondContact OD1-CB 3.34Å; D665-C667 PolarHBondContact OD1-N 3.12Å; D665-C667 WeakPolarHBondContact OD2-CB 3.27Å; D665-C667 PolarHBondContact OD2-N 3.36Å; C667-Q671 HydrophobicContact CB-CB 3.59Å; C667-Q673 VanDerWaalsContact SG-CA 3.56Å; C667-C679 VanDerWaalsContact CA-SG 3.53Å; C667-C679 HydrophobicContact CB-CB 3.69Å; C667-C679 WeakPolarHBondContact CB-SG 3.44Å; C667-C679 WeakPolarHBondContact SG-CA 3.21Å; C667-C679 WeakPolarHBondContact SG-CB 3.08Å; C667-C679 CovalentContact SG-SG 1.97Å; C667-C679 PolarHBondContact SG-SG 2.2Å | |
| 668 | T | 68.5 | Low | 77.6 | Confident | 84 Ų | 84 | 52.6 Ų | 52.6 | 52% | 0.515 | 27% | 0.267 | S | S | . | . | trans | -61 | 0 | 177.4 | 56.9 | 0 | 0 | 0 | 0 | 110.6 | S670 Q671 | T668-S670 PolarHBondContact O-N 2.66Å; T668-Q671 PolarHBondContact O-N 2.5Å; T668-Q671 VanDerWaalsContact OG1-CD 3.24Å; T668-Q671 WeakPolarHBondContact OG1-CG 3.32Å; T668-Q671 PolarHBondContact OG1-OE1 3.29Å | ||
| 669 | A | 62.1 | Low | 77.4 | Confident | 56 Ų | 56 | 51.9 Ų | 51.9 | 46% | 0.463 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.4 | P711 R713 | A669-P711 HydrophobicContact CB-CB 4.24Å; A669-P711 HydrophobicContact CB-CG 4.41Å; A669-P711 WeakPolarHBondContact O-CB 1.64Å; A669-R713 VanDerWaalsContact CB-O 3.27Å; A669-R713 WeakPolarHBondContact CB-O 3.31Å | |
| 670 | S | 65.7 | Low | 77.3 | Confident | 61 Ų | 61 | 52.7 Ų | 52.7 | 43% | 0.427 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 10 | 0 | 56.1 | 0 | 0 | 0 | 0 | 110.3 | T668 Q681 T682 | T668-S670 PolarHBondContact O-N 2.66Å; S670-Q681 PolarHBondContact O-OE1 2.62Å; S670-T682 PolarHBondContact O-N 2.95Å; S670-T682 VanDerWaalsContact O-N 3.1Å; S670-T682 PolarHBondContact O-OG1 2.7Å | |
| 671 | Q | 79 | Confident | 77 | Confident | 56 Ų | 56 | 54.9 Ų | 54.9 | 26% | 0.262 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 147.9 | -178.9 | -67.3 | -176.4 | -33.9 | 0 | 0 | 109.5 | C667 T668 C679 I680 | C667-Q671 HydrophobicContact CB-CB 3.59Å; T668-Q671 PolarHBondContact O-N 2.5Å; T668-Q671 VanDerWaalsContact OG1-CD 3.24Å; T668-Q671 WeakPolarHBondContact OG1-CG 3.32Å; T668-Q671 PolarHBondContact OG1-OE1 3.29Å; Q671-C679 HydrophobicContact CB-CB 4.03Å; Q671-I680 CarbonylContact C-O 3.42Å; Q671-I680 VanDerWaalsContact CA-O 3.26Å; Q671-I680 WeakPolarHBondContact CA-O 2.96Å |
| 672 | S | 77 | Confident | 76.2 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.028 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 144.1 | 176.2 | -63.4 | 0 | 0 | 0 | 0 | 109.7 | C679 I680 T682 I685 | S672-C679 WeakPolarHBondContact O-CA 3.36Å; S672-I680 PolarHBondContact N-O 3.49Å; S672-I680 PolarHBondContact O-N 3.22Å; S672-T682 WeakPolarHBondContact OG-CG2 2.76Å; S672-T682 PolarHBondContact OG-OG1 2.76Å; S672-I685 VanDerWaalsContact CB-CD1 3.49Å; S672-I685 WeakPolarHBondContact OG-CD1 3.44Å |
| 673 | Q | 82.4 | Confident | 75.8 | Confident | 5 Ų | 5 | 58 Ų | 58 | 2% | 0.023 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 124.8 | -172 | -178.5 | 177.7 | -16.3 | 0 | 0 | 109.8 | A587 F588 D665 I666 C667 Q678 F702 | A587-Q673 HydrophobicContact CB-CB 4.27Å; F588-Q673 WeakPolarHBondContact CE2-O 3.01Å; D665-Q673 HydrophobicContact CB-CB 4.32Å; I666-Q673 HydrophobicContact CG1-CG 4.41Å; C667-Q673 VanDerWaalsContact SG-CA 3.56Å; Q673-Q678 CarbonylContact C-O 3.44Å; Q673-F702 WeakPolarHBondContact O-CZ 3.42Å |
| 674 | C | 82 | Confident | 75.5 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | trans | -74.4 | 164.5 | 173.7 | -70.9 | 0 | 0 | 0 | 0 | 109.9 | F588 T676 R677 Q678 C692 | F588-C674 WeakPolarHBondContact CD2-O 3.25Å; F588-C674 VanDerWaalsContact CE2-C 3.43Å; F588-C674 WeakPolarHBondContact CE2-O 3.18Å; C674-T676 PolarHBondContact O-N 2.64Å; C674-R677 WeakPolarHBondContact O-CA 3.11Å; C674-R677 PolarHBondContact O-N 2.65Å; C674-Q678 HydrophobicContact CB-CB 4.07Å; C674-Q678 VanDerWaalsContact CB-O 3.31Å; C674-Q678 WeakPolarHBondContact CB-O 3.21Å; C674-Q678 PolarHBondContact N-O 2.42Å; C674-C692 HydrophobicContact CB-CB 3.81Å; C674-C692 WeakPolarHBondContact CB-SG 3.42Å; C674-C692 WeakPolarHBondContact SG-CB 2.34Å; C674-C692 CovalentContact SG-SG 1.68Å; C674-C692 PolarHBondContact SG-SG 3.28Å | ||
| 675 | R | 80.6 | Confident | 75.6 | Confident | 115 Ų | 115 | 56.9 Ų | 56.9 | 43% | 0.434 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -24.5 | 177.6 | -174 | -179.5 | -60.4 | -178.4 | 1.4 | 111.1 | F588 R677 D694 S696 | F588-R675 HydrophobicContact CD1-CB 4.19Å; F588-R675 HydrophobicContact CD1-CG 4.27Å; F588-R675 HydrophobicContact CE1-CB 4.19Å; F588-R675 HydrophobicContact CG-CB 4.43Å; F588-R675 HydrophobicContact CZ-CB 4.43Å; R675-R677 PolarHBondContact O-N 2.87Å; R675-D694 WeakPolarHBondContact CB-OD2 3.23Å; R675-D694 WeakPolarHBondContact CD-OD2 3.38Å; R675-D694 WeakPolarHBondContact CG-OD2 3.03Å; R675-D694 IonicContact NE-OD2 3.39Å; R675-S696 PolarHBondContact N-OG 2.62Å |
| 676 | T | 79.3 | Confident | 75.5 | Confident | 62 Ų | 62 | 57.8 Ų | 57.8 | 38% | 0.38 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 0 | 178.9 | 53.4 | 0 | 0 | 0 | 0 | 110.6 | C674 Q678 D694 | C674-T676 PolarHBondContact O-N 2.64Å; T676-Q678 VanDerWaalsContact C-N 3.32Å; T676-D694 HydrophobicContact CG2-CB 3.64Å |
| 677 | R | 76.6 | Confident | 75.2 | Confident | 184 Ų | 184 | 55.4 Ų | 55.4 | 69% | 0.694 | 30% | 0.3 | S | S | * | . | S | Bend | 0 | 11.2 | 0 | -76.6 | -156 | 174.3 | 162.9 | -1.9 | 111.2 | C674 R675 | C674-R677 WeakPolarHBondContact O-CA 3.11Å; C674-R677 PolarHBondContact O-N 2.65Å; R675-R677 PolarHBondContact O-N 2.87Å | |
| 678 | Q | 78.2 | Confident | 75.1 | Confident | 74 Ų | 74 | 58 Ų | 58 | 35% | 0.346 | 33% | 0.328 | S | S | . | . | trans | -77 | 141.9 | 169.7 | -70.4 | 177.5 | -16.4 | 0 | 0 | 110.8 | Q673 C674 T676 | Q673-Q678 CarbonylContact C-O 3.44Å; C674-Q678 HydrophobicContact CB-CB 4.07Å; C674-Q678 VanDerWaalsContact CB-O 3.31Å; C674-Q678 WeakPolarHBondContact CB-O 3.21Å; C674-Q678 PolarHBondContact N-O 2.42Å; T676-Q678 VanDerWaalsContact C-N 3.32Å | ||
| 679 | C | 78 | Confident | 75.3 | Confident | 47 Ų | 47 | 61.2 Ų | 61.2 | 32% | 0.318 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 112.6 | -177.9 | -66.4 | 0 | 0 | 0 | 0 | 109.7 | C667 Q671 S672 | C667-C679 VanDerWaalsContact CA-SG 3.53Å; C667-C679 HydrophobicContact CB-CB 3.69Å; C667-C679 WeakPolarHBondContact CB-SG 3.44Å; C667-C679 WeakPolarHBondContact SG-CA 3.21Å; C667-C679 WeakPolarHBondContact SG-CB 3.08Å; C667-C679 CovalentContact SG-SG 1.97Å; C667-C679 PolarHBondContact SG-SG 2.2Å; Q671-C679 HydrophobicContact CB-CB 4.03Å; S672-C679 WeakPolarHBondContact O-CA 3.36Å |
| 680 | I | 79.5 | Confident | 76.1 | Confident | 17 Ų | 17 | 61.1 Ų | 61.1 | 9% | 0.087 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 153.3 | 176.5 | 57.8 | 167.6 | 0 | 0 | 0 | 109.1 | Q671 S672 T682 I685 D691 D697 | Q671-I680 CarbonylContact C-O 3.42Å; Q671-I680 VanDerWaalsContact CA-O 3.26Å; Q671-I680 WeakPolarHBondContact CA-O 2.96Å; S672-I680 PolarHBondContact N-O 3.49Å; S672-I680 PolarHBondContact O-N 3.22Å; I680-T682 PolarHBondContact O-N 3.1Å; I680-T682 VanDerWaalsContact O-N 3.11Å; I680-I685 HydrophobicContact CD1-CG1 4.1Å; I680-D691 HydrophobicContact CD1-CB 4.3Å; I680-D691 HydrophobicContact CG2-CB 4.37Å; I680-D697 HydrophobicContact CD1-CB 3.52Å |
| 681 | Q | 76.3 | Confident | 76.8 | Confident | 75 Ų | 75 | 60.9 Ų | 60.9 | 35% | 0.35 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 0 | 178.8 | -73.3 | -65.7 | -50.9 | 0 | 0 | 110.8 | S670 S683 L684 | S670-Q681 PolarHBondContact O-OE1 2.62Å; Q681-S683 PolarHBondContact O-N 3.41Å; Q681-L684 HydrophobicContact CB-CD1 3.94Å; Q681-L684 HydrophobicContact CB-CG 3.97Å; Q681-L684 VanDerWaalsContact O-CB 3.31Å; Q681-L684 WeakPolarHBondContact O-CB 3.45Å; Q681-L684 PolarHBondContact O-N 3.2Å |
| 682 | T | 68.8 | Low | 76.8 | Confident | 13 Ų | 13 | 58.5 Ų | 58.5 | 8% | 0.08 | 32% | 0.318 | C | S | . | . | G | 310 helix | 0 | 0 | 0 | -53.8 | 0 | 0 | 0 | 0 | 111.2 | S670 S672 I680 L684 I685 I710 | S670-T682 PolarHBondContact O-N 2.95Å; S670-T682 VanDerWaalsContact O-N 3.1Å; S670-T682 PolarHBondContact O-OG1 2.7Å; S672-T682 WeakPolarHBondContact OG-CG2 2.76Å; S672-T682 PolarHBondContact OG-OG1 2.76Å; I680-T682 PolarHBondContact O-N 3.1Å; I680-T682 VanDerWaalsContact O-N 3.11Å; T682-L684 PolarHBondContact O-N 3.3Å; T682-I685 HydrophobicContact CG2-CD1 3.92Å; T682-I685 WeakPolarHBondContact O-CG1 3.45Å; T682-I685 PolarHBondContact O-N 2.83Å; T682-I710 HydrophobicContact CG2-CB 4.36Å; T682-I710 HydrophobicContact CG2-CD1 3.66Å; T682-I710 HydrophobicContact CG2-CG1 3.62Å; T682-I710 HydrophobicContact CG2-CG2 3.81Å | |
| 683 | S | 71.7 | Confident | 76.9 | Confident | 88 Ų | 88 | 64.7 Ų | 64.7 | 62% | 0.615 | 35% | 0.35 | S | S | * | . | G | 310 helix | 0 | -13.5 | 0 | 59.3 | 0 | 0 | 0 | 0 | 111.2 | Q681 | Q681-S683 PolarHBondContact O-N 3.41Š| |
| 684 | L | 79.3 | Confident | 76.6 | Confident | 61 Ų | 61 | 66.9 Ų | 66.9 | 32% | 0.319 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -96.4 | 7 | -174.3 | -64.1 | 175.2 | 0 | 0 | 0 | 109.6 | Q681 T682 D687 D691 | Q681-L684 HydrophobicContact CB-CD1 3.94Å; Q681-L684 HydrophobicContact CB-CG 3.97Å; Q681-L684 VanDerWaalsContact O-CB 3.31Å; Q681-L684 WeakPolarHBondContact O-CB 3.45Å; Q681-L684 PolarHBondContact O-N 3.2Å; T682-L684 PolarHBondContact O-N 3.3Å; L684-D687 VanDerWaalsContact O-CG 3.26Å; L684-D691 HydrophobicContact CB-CB 4.44Å; L684-D691 VanDerWaalsContact CB-OD2 3.3Å; L684-D691 WeakPolarHBondContact CB-OD2 3.48Å |
| 685 | I | 76.7 | Confident | 76.3 | Confident | 27 Ų | 27 | 73.9 Ų | 73.9 | 14% | 0.138 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 126.8 | 177.8 | -61.1 | 168.8 | 0 | 0 | 0 | 109.1 | V641 S672 I680 T682 D687 F702 | V641-I685 HydrophobicContact CG1-CD1 4.17Å; S672-I685 VanDerWaalsContact CB-CD1 3.49Å; S672-I685 WeakPolarHBondContact OG-CD1 3.44Å; I680-I685 HydrophobicContact CD1-CG1 4.1Å; T682-I685 HydrophobicContact CG2-CD1 3.92Å; T682-I685 WeakPolarHBondContact O-CG1 3.45Å; T682-I685 PolarHBondContact O-N 2.83Å; I685-D687 PolarHBondContact O-N 2.12Å; I685-F702 HydrophobicContact CD1-CD1 3.88Å; I685-F702 HydrophobicContact CD1-CE1 3.99Å; I685-F702 HydrophobicContact CG1-CD1 4.24Å; I685-F702 HydrophobicContact CG2-CB 3.24Å; I685-F702 HydrophobicContact CG2-CD1 3.51Å; I685-F702 HydrophobicContact CG2-CG 3.6Å |
| 686 | C | 72.5 | Confident | 76.2 | Confident | 46 Ų | 46 | 68.6 Ų | 68.6 | 31% | 0.311 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 35.4 | 175.5 | -163.3 | 0 | 0 | 0 | 0 | 110.6 | D697 C703 I729 | C686-D697 PolarHBondContact N-O 3.07Å; C686-C703 WeakPolarHBondContact CA-SG 3.3Å; C686-C703 HydrophobicContact CB-CB 4.12Å; C686-C703 WeakPolarHBondContact CB-SG 3.32Å; C686-C703 WeakPolarHBondContact SG-CB 3.35Å; C686-C703 PolarHBondContact SG-SG 3.39Å; C686-I729 HydrophobicContact CB-CG2 4.37Å |
| 687 | D | 71.6 | Confident | 76.2 | Confident | 72 Ų | 72 | 65.7 Ų | 65.7 | 39% | 0.385 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -97.2 | 0 | -179.5 | 63.3 | -17.1 | 0 | 0 | 0 | 109.9 | L684 I685 K689 E698 | L684-D687 VanDerWaalsContact O-CG 3.26Å; I685-D687 PolarHBondContact O-N 2.12Å; D687-K689 PolarHBondContact O-N 1.97Å; D687-K689 PolarHBondContact OD1-N 3.08Å; D687-K689 VanDerWaalsContact OD1-N 3.07Å; D687-K689 VanDerWaalsContact OD1-O 3.04Å; D687-E698 PolarHBondContact N-OE1 2.63Å |
| 688 | G | 71.1 | Confident | 76.3 | Confident | 70 Ų | 70 | 59.4 Ų | 59.4 | 72% | 0.722 | 33% | 0.334 | S | S | * | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.8 | E698 | G688-E698 WeakPolarHBondContact CA-OE2 3.02Å; G688-E698 PolarHBondContact N-OE1 2.77Å; G688-E698 PolarHBondContact N-OE2 3.23Å | |
| 689 | K | 73.5 | Confident | 75.9 | Confident | 153 Ų | 153 | 57.1 Ų | 57.1 | 67% | 0.665 | 33% | 0.33 | S | S | * | . | S | Bend | 0 | 129.6 | 0 | -110.9 | -177.1 | -179.3 | 178.9 | 0 | 110 | D687 D691 E698 | D687-K689 PolarHBondContact O-N 1.97Å; D687-K689 PolarHBondContact OD1-N 3.08Å; D687-K689 VanDerWaalsContact OD1-N 3.07Å; D687-K689 VanDerWaalsContact OD1-O 3.04Å; K689-D691 PolarHBondContact O-N 3.38Å; K689-E698 VanDerWaalsContact C-CD 3.47Å; K689-E698 WeakPolarHBondContact CA-OE1 3.26Å; K689-E698 VanDerWaalsContact N-CD 3.32Å; K689-E698 PolarHBondContact N-OE1 3.12Å; K689-E698 WeakPolarHBondContact O-CG 3.39Å | |
| 690 | A | 77.2 | Confident | 75.4 | Confident | 53 Ų | 53 | 56.6 Ų | 56.6 | 44% | 0.438 | 33% | 0.327 | S | S | . | . | trans | -71.3 | 98.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | K695 E698 | A690-K695 HydrophobicContact CB-CB 4.14Å; A690-K695 HydrophobicContact CB-CD 4.18Å; A690-K695 HydrophobicContact CB-CG 3.5Å; A690-E698 HydrophobicContact CB-CG 4.33Å | ||
| 691 | D | 81.7 | Confident | 74.7 | Confident | 56 Ų | 56 | 56.4 Ų | 56.4 | 30% | 0.299 | 33% | 0.327 | S | S | . | . | trans | -92.9 | 0 | -178.1 | -62.9 | -62.7 | 0 | 0 | 0 | 110.3 | I680 L684 K689 D697 | I680-D691 HydrophobicContact CD1-CB 4.3Å; I680-D691 HydrophobicContact CG2-CB 4.37Å; L684-D691 HydrophobicContact CB-CB 4.44Å; L684-D691 VanDerWaalsContact CB-OD2 3.3Å; L684-D691 WeakPolarHBondContact CB-OD2 3.48Å; K689-D691 PolarHBondContact O-N 3.38Å; D691-D697 VanDerWaalsContact CB-OD2 3.27Å; D691-D697 WeakPolarHBondContact CB-OD2 3Å; D691-D697 VanDerWaalsContact N-CG 3.33Å; D691-D697 PolarHBondContact N-OD1 3.11Å; D691-D697 PolarHBondContact N-OD2 2.86Å | ||
| 692 | C | 79.6 | Confident | 74.6 | Confident | 6 Ų | 6 | 53 Ų | 53 | 4% | 0.041 | 31% | 0.311 | C | S | . | . | S | Bend | 0 | 0 | 0 | -74 | 0 | 0 | 0 | 0 | 109.5 | C674 D694 K695 S696 D697 | C674-C692 HydrophobicContact CB-CB 3.81Å; C674-C692 WeakPolarHBondContact CB-SG 3.42Å; C674-C692 WeakPolarHBondContact SG-CB 2.34Å; C674-C692 CovalentContact SG-SG 1.68Å; C674-C692 PolarHBondContact SG-SG 3.28Å; C692-D694 VanDerWaalsContact CB-OD1 3.29Å; C692-D694 WeakPolarHBondContact CB-OD1 3.49Å; C692-D694 PolarHBondContact O-N 2.32Å; C692-K695 WeakPolarHBondContact O-CA 3.22Å; C692-K695 PolarHBondContact O-N 3.24Å; C692-S696 WeakPolarHBondContact CB-OG 3.19Å; C692-D697 HydrophobicContact CB-CB 4.27Å; C692-D697 PolarHBondContact N-OD1 3.13Å | |
| 693 | L | 78.3 | Confident | 74.7 | Confident | 135 Ų | 135 | 53.9 Ų | 53.9 | 71% | 0.707 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | -30.1 | 0 | -71.3 | 167.2 | 0 | 0 | 0 | 110.8 | K695 | L693-K695 PolarHBondContact O-N 3.34Š| |
| 694 | D | 76 | Confident | 74.6 | Confident | 51 Ų | 51 | 54 Ų | 54 | 27% | 0.273 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 13 | -179.7 | 67.4 | -11.1 | 0 | 0 | 0 | 110.7 | R675 T676 C692 S696 | R675-D694 WeakPolarHBondContact CB-OD2 3.23Å; R675-D694 WeakPolarHBondContact CD-OD2 3.38Å; R675-D694 WeakPolarHBondContact CG-OD2 3.03Å; R675-D694 IonicContact NE-OD2 3.39Å; T676-D694 HydrophobicContact CG2-CB 3.64Å; C692-D694 VanDerWaalsContact CB-OD1 3.29Å; C692-D694 WeakPolarHBondContact CB-OD1 3.49Å; C692-D694 PolarHBondContact O-N 2.32Å; D694-S696 PolarHBondContact O-N 3.38Å; D694-S696 WeakPolarHBondContact OD1-CA 2.56Å; D694-S696 WeakPolarHBondContact OD1-CB 3.18Å; D694-S696 PolarHBondContact OD1-N 3.26Å; D694-S696 PolarHBondContact OD1-OG 2.75Å; D694-S696 WeakPolarHBondContact OD2-CB 2.95Å; D694-S696 PolarHBondContact OD2-OG 1.55Å |
| 695 | K | 76.6 | Confident | 74 | Confident | 147 Ų | 147 | 51.5 Ų | 51.5 | 64% | 0.639 | 30% | 0.299 | S | S | * | . | S | Bend | trans | 55.5 | 0 | -178.6 | -66.9 | -173.9 | -179.2 | 179.6 | 0 | 111.7 | A690 C692 L693 D697 E698 | A690-K695 HydrophobicContact CB-CB 4.14Å; A690-K695 HydrophobicContact CB-CD 4.18Å; A690-K695 HydrophobicContact CB-CG 3.5Å; C692-K695 WeakPolarHBondContact O-CA 3.22Å; C692-K695 PolarHBondContact O-N 3.24Å; L693-K695 PolarHBondContact O-N 3.34Å; K695-D697 VanDerWaalsContact C-N 3.25Å; K695-D697 PolarHBondContact O-N 2.72Å; K695-E698 PolarHBondContact O-N 3.32Å |
| 696 | S | 76.5 | Confident | 73.8 | Confident | 4 Ų | 4 | 50.8 Ų | 50.8 | 3% | 0.028 | 30% | 0.299 | C | S | . | . | G | 310 helix | 0 | 0 | 0 | 47.8 | 0 | 0 | 0 | 0 | 111.6 | R675 C692 D694 E698 G699 S701 F702 | R675-S696 PolarHBondContact N-OG 2.62Å; C692-S696 WeakPolarHBondContact CB-OG 3.19Å; D694-S696 PolarHBondContact O-N 3.38Å; D694-S696 WeakPolarHBondContact OD1-CA 2.56Å; D694-S696 WeakPolarHBondContact OD1-CB 3.18Å; D694-S696 PolarHBondContact OD1-N 3.26Å; D694-S696 PolarHBondContact OD1-OG 2.75Å; D694-S696 WeakPolarHBondContact OD2-CB 2.95Å; D694-S696 PolarHBondContact OD2-OG 1.55Å; S696-E698 PolarHBondContact O-N 3.36Å; S696-G699 PolarHBondContact O-N 3.49Å; S696-S701 PolarHBondContact O-OG 3.23Å; S696-F702 WeakPolarHBondContact O-CD2 2.91Å | |
| 697 | D | 81.2 | Confident | 74 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | G | 310 helix | 0 | 0 | 0 | 64.3 | -46.1 | 0 | 0 | 0 | 110.7 | I680 C686 D691 C692 K695 | I680-D697 HydrophobicContact CD1-CB 3.52Å; C686-D697 PolarHBondContact N-O 3.07Å; D691-D697 VanDerWaalsContact CB-OD2 3.27Å; D691-D697 WeakPolarHBondContact CB-OD2 3Å; D691-D697 VanDerWaalsContact N-CG 3.33Å; D691-D697 PolarHBondContact N-OD1 3.11Å; D691-D697 PolarHBondContact N-OD2 2.86Å; C692-D697 HydrophobicContact CB-CB 4.27Å; C692-D697 PolarHBondContact N-OD1 3.13Å; K695-D697 VanDerWaalsContact C-N 3.25Å; K695-D697 PolarHBondContact O-N 2.72Å | |
| 698 | E | 77.6 | Confident | 74.3 | Confident | 52 Ų | 52 | 46 Ų | 46 | 24% | 0.243 | 27% | 0.271 | C | S | . | . | G | 310 helix | 0 | 3.6 | 0 | -59.8 | -65.9 | 160.7 | 0 | 0 | 110.3 | D687 G688 K689 A690 K695 S696 | D687-E698 PolarHBondContact N-OE1 2.63Å; G688-E698 WeakPolarHBondContact CA-OE2 3.02Å; G688-E698 PolarHBondContact N-OE1 2.77Å; G688-E698 PolarHBondContact N-OE2 3.23Å; K689-E698 VanDerWaalsContact C-CD 3.47Å; K689-E698 WeakPolarHBondContact CA-OE1 3.26Å; K689-E698 VanDerWaalsContact N-CD 3.32Å; K689-E698 PolarHBondContact N-OE1 3.12Å; K689-E698 WeakPolarHBondContact O-CG 3.39Å; A690-E698 HydrophobicContact CB-CG 4.33Å; K695-E698 PolarHBondContact O-N 3.32Å; S696-E698 PolarHBondContact O-N 3.36Å | |
| 699 | G | 70.5 | Confident | 74.8 | Confident | 26 Ų | 26 | 42.9 Ų | 42.9 | 27% | 0.268 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -88.4 | 165.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | S696 S701 F702 C703 | S696-G699 PolarHBondContact O-N 3.49Å; G699-S701 PolarHBondContact O-N 3.17Å; G699-F702 PolarHBondContact O-N 3.1Å; G699-C703 PolarHBondContact O-N 3.29Å |
| 700 | S | 66.5 | Low | 75 | Confident | 36 Ų | 36 | 37.1 Ų | 37.1 | 25% | 0.252 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -57.4 | 0 | -174.2 | 57.5 | 0 | 0 | 0 | 0 | 111.1 | N618 F702 N704 | N618-S700 WeakPolarHBondContact CB-OG 3.08Å; N618-S700 PolarHBondContact ND2-OG 2.28Å; S700-F702 PolarHBondContact O-N 2.31Å; S700-N704 VanDerWaalsContact CB-ND2 3.35Å; S700-N704 WeakPolarHBondContact CB-ND2 3.15Å; S700-N704 WeakPolarHBondContact O-CB 3.19Å; S700-N704 PolarHBondContact O-N 2.29Å |
| 701 | S | 66.4 | Low | 75 | Confident | 14 Ų | 14 | 35.8 Ų | 35.8 | 10% | 0.098 | 20% | 0.2 | C | C | . | . | H | α-helix | 0 | 0 | 0 | 50.6 | 0 | 0 | 0 | 0 | 111.4 | Y642 S696 G699 | Y642-S701 WeakPolarHBondContact CE2-O 3.11Å; Y642-S701 PolarHBondContact OH-O 3.04Å; Y642-S701 VanDerWaalsContact OH-O 3.1Å; S696-S701 PolarHBondContact O-OG 3.23Å; G699-S701 PolarHBondContact O-N 3.17Å | |
| 702 | F | 74.2 | Confident | 74.7 | Confident | 3 Ų | 3 | 34.3 Ų | 34.3 | 1% | 0.013 | 19% | 0.194 | C | C | . | . | H | α-helix | 0 | 0 | 0 | -81.2 | -80.9 | 0 | 0 | 0 | 110.1 | F588 S639 V641 Q673 I685 S696 G699 S700 N704 | F588-F702 HydrophobicContact CE1-CE2 4.04Å; F588-F702 HydrophobicContact CE1-CZ 4.29Å; F588-F702 HydrophobicContact CE2-CE2 4.09Å; F588-F702 AromaticContact CE2-CZ 3.65Å; F588-F702 HydrophobicContact CE2-CZ 3.65Å; F588-F702 HydrophobicContact CZ-CD2 4.29Å; F588-F702 HydrophobicContact CZ-CE1 4.22Å; F588-F702 AromaticContact CZ-CE2 3.18Å; F588-F702 HydrophobicContact CZ-CE2 3.18Å; F588-F702 AromaticContact CZ-CZ 3.12Å; F588-F702 HydrophobicContact CZ-CZ 3.12Å; S639-F702 WeakPolarHBondContact OG-CD1 3.41Å; S639-F702 WeakPolarHBondContact OG-CE1 2.68Å; S639-F702 VanDerWaalsContact OG-CZ 3.31Å; S639-F702 WeakPolarHBondContact OG-CZ 2.77Å; V641-F702 HydrophobicContact CG1-CD1 4.36Å; V641-F702 HydrophobicContact CG2-CD1 4.12Å; Q673-F702 WeakPolarHBondContact O-CZ 3.42Å; I685-F702 HydrophobicContact CD1-CD1 3.88Å; I685-F702 HydrophobicContact CD1-CE1 3.99Å; I685-F702 HydrophobicContact CG1-CD1 4.24Å; I685-F702 HydrophobicContact CG2-CB 3.24Å; I685-F702 HydrophobicContact CG2-CD1 3.51Å; I685-F702 HydrophobicContact CG2-CG 3.6Å; S696-F702 WeakPolarHBondContact O-CD2 2.91Å; G699-F702 PolarHBondContact O-N 3.1Å; S700-F702 PolarHBondContact O-N 2.31Å; F702-N704 PolarHBondContact O-N 2.92Å | |
| 703 | C | 70.7 | Confident | 74.6 | Confident | 31 Ų | 31 | 39.7 Ų | 39.7 | 21% | 0.209 | 21% | 0.213 | C | C | . | . | H | α-helix | 0 | 0 | 0 | -72.4 | 0 | 0 | 0 | 0 | 110.1 | C686 G699 | C686-C703 WeakPolarHBondContact CA-SG 3.3Å; C686-C703 HydrophobicContact CB-CB 4.12Å; C686-C703 WeakPolarHBondContact CB-SG 3.32Å; C686-C703 WeakPolarHBondContact SG-CB 3.35Å; C686-C703 PolarHBondContact SG-SG 3.39Å; G699-C703 PolarHBondContact O-N 3.29Å | |
| 704 | N | 69.7 | Low | 74.8 | Confident | 92 Ų | 92 | 33.7 Ų | 33.7 | 49% | 0.492 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -75 | -14.7 | 0 | 0 | 0 | 110.8 | S700 F702 G706 | S700-N704 VanDerWaalsContact CB-ND2 3.35Å; S700-N704 WeakPolarHBondContact CB-ND2 3.15Å; S700-N704 WeakPolarHBondContact O-CB 3.19Å; S700-N704 PolarHBondContact O-N 2.29Å; F702-N704 PolarHBondContact O-N 2.92Å; N704-G706 PolarHBondContact O-N 2.04Å; N704-G706 VanDerWaalsContact O-N 3.13Å | |
| 705 | A | 64.9 | Low | 74.8 | Confident | 7 Ų | 7 | 35.2 Ų | 35.2 | 6% | 0.058 | 19% | 0.193 | C | C | . | . | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111 | V641 Y642 L707 T708 I729 | V641-A705 HydrophobicContact CG2-CB 4.48Å; Y642-A705 HydrophobicContact CE1-CB 4.26Å; A705-L707 PolarHBondContact O-N 3.11Å; A705-T708 HydrophobicContact CB-CG2 3.96Å; A705-I729 HydrophobicContact CB-CD1 3.93Å | |||
| 706 | G | 73 | Confident | 74.8 | Confident | 13 Ų | 13 | 28.9 Ų | 28.9 | 13% | 0.134 | 17% | 0.166 | C | C | . | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 112.1 | N704 T728 I729 | N704-G706 PolarHBondContact O-N 2.04Å; N704-G706 VanDerWaalsContact O-N 3.13Å; G706-T728 WeakPolarHBondContact O-CA 3.49Å; G706-I729 WeakPolarHBondContact O-CG1 3.44Å; G706-I729 PolarHBondContact O-N 2.58Å; G706-I729 VanDerWaalsContact O-N 3.1Å | |
| 707 | L | 78.2 | Confident | 74.5 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | 0 | 130.3 | 0 | -179.8 | 67.2 | 0 | 0 | 0 | 110.1 | A705 P736 C781 F783 R789 | A705-L707 PolarHBondContact O-N 3.11Å; L707-P736 HydrophobicContact CD1-CB 3.79Å; L707-P736 HydrophobicContact CD1-CG 4.38Å; L707-C781 VanDerWaalsContact CD2-C 3.43Å; L707-C781 HydrophobicContact CD2-CB 4.09Å; L707-C781 WeakPolarHBondContact CD2-O 3.45Å; L707-C781 HydrophobicContact CG-CB 4.48Å; L707-F783 HydrophobicContact CB-CD2 4.48Å; L707-F783 HydrophobicContact CB-CE2 4.01Å; L707-F783 HydrophobicContact CD1-CE2 3.8Å; L707-F783 HydrophobicContact CD1-CZ 3.89Å; L707-F783 HydrophobicContact CD2-CD2 4.45Å; L707-F783 HydrophobicContact CD2-CE2 4.47Å; L707-F783 HydrophobicContact CG-CE2 4.32Å; L707-R789 HydrophobicContact CB-CG 4.42Å; L707-R789 HydrophobicContact CD2-CG 4.4Å; L707-R789 HydrophobicContact CG-CG 4.32Å; L707-R789 VanDerWaalsContact O-CG 3.27Å; L707-R789 WeakPolarHBondContact O-CG 2.11Å | |
| 708 | T | 76.6 | Confident | 74.1 | Confident | 16 Ų | 16 | 36.3 Ų | 36.3 | 10% | 0.098 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 0 | 179.8 | 52 | 0 | 0 | 0 | 0 | 110.1 | V641 A705 Q727 I729 | V641-T708 HydrophobicContact CB-CG2 4.48Å; A705-T708 HydrophobicContact CB-CG2 3.96Å; T708-Q727 PolarHBondContact N-O 3.27Å; T708-Q727 PolarHBondContact O-N 2.14Å; T708-Q727 PolarHBondContact OG1-O 2.04Å; T708-Q727 VanDerWaalsContact OG1-O 3.06Å; T708-I729 HydrophobicContact CG2-CD1 3.84Å; T708-I729 HydrophobicContact CG2-CG1 4.12Å |
| 709 | V | 82.6 | Confident | 74.1 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.024 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | 0 | 125.2 | 0 | 175 | 0 | 0 | 0 | 0 | 108.4 | T712 L724 K725 C781 R789 A791 | V709-T712 VanDerWaalsContact O-CG2 3.23Å; V709-T712 WeakPolarHBondContact O-CG2 2.58Å; V709-L724 HydrophobicContact CG1-CD1 3.47Å; V709-L724 VanDerWaalsContact CG1-CD1 3.47Å; V709-K725 CarbonylContact C-O 3.15Å; V709-K725 WeakPolarHBondContact CA-O 3.14Å; V709-C781 HydrophobicContact CG2-CB 3.42Å; V709-C781 VanDerWaalsContact CG2-CB 3.42Å; V709-C781 WeakPolarHBondContact CG2-SG 2.98Å; V709-R789 HydrophobicContact CB-CB 4.41Å; V709-R789 HydrophobicContact CG2-CB 3.51Å; V709-A791 HydrophobicContact CG1-CB 3.39Å | |
| 710 | I | 76.8 | Confident | 74.4 | Confident | 32 Ų | 32 | 40.6 Ų | 40.6 | 16% | 0.164 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 0 | -175.9 | -57.4 | 168 | 0 | 0 | 0 | 108.2 | T682 K725 | T682-I710 HydrophobicContact CG2-CB 4.36Å; T682-I710 HydrophobicContact CG2-CD1 3.66Å; T682-I710 HydrophobicContact CG2-CG1 3.62Å; T682-I710 HydrophobicContact CG2-CG2 3.81Å; I710-K725 PolarHBondContact N-O 1.08Å; I710-K725 PolarHBondContact O-N 3.2Å |
| 711 | P | 77.1 | Confident | 75.2 | Confident | 24 Ų | 24 | 42.7 Ų | 42.7 | 16% | 0.156 | 24% | 0.237 | C | C | . | . | S | Bend | 0 | 0 | 0 | 26 | -27.1 | 0 | 0 | 0 | 111.6 | A669 R713 I714 | A669-P711 HydrophobicContact CB-CB 4.24Å; A669-P711 HydrophobicContact CB-CG 4.41Å; A669-P711 WeakPolarHBondContact O-CB 1.64Å; P711-R713 PolarHBondContact O-N 0.1Å; P711-I714 HydrophobicContact CG-CD1 4.04Å; P711-I714 HydrophobicContact CG-CG1 3.52Å | |
| 712 | T | 75.5 | Confident | 76.2 | Confident | 26 Ų | 26 | 43 Ų | 43 | 16% | 0.16 | 24% | 0.237 | C | C | . | . | S | Bend | 0 | 0 | 0 | 51.1 | 0 | 0 | 0 | 0 | 110.3 | S640 N643 V709 A791 I792 | S640-T712 WeakPolarHBondContact O-CG2 2.8Å; N643-T712 HydrophobicContact CB-CG2 4.48Å; V709-T712 VanDerWaalsContact O-CG2 3.23Å; V709-T712 WeakPolarHBondContact O-CG2 2.58Å; T712-A791 CarbonylContact O-C 3.43Å; T712-A791 VanDerWaalsContact O-CA 3.22Å; T712-A791 WeakPolarHBondContact O-CA 3.26Å; T712-I792 PolarHBondContact O-N 1.99Å | |
| 713 | R | 78.7 | Confident | 76.8 | Confident | 119 Ų | 119 | 45.8 Ų | 45.8 | 45% | 0.449 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 128 | 0 | -175 | -178.3 | -172.4 | -154.8 | -0.8 | 109.6 | A669 P711 V715 I792 | A669-R713 VanDerWaalsContact CB-O 3.27Å; A669-R713 WeakPolarHBondContact CB-O 3.31Å; P711-R713 PolarHBondContact O-N 0.1Å; R713-V715 HydrophobicContact CG-CG2 4.31Å; R713-I792 WeakPolarHBondContact CA-O 2.38Å | |
| 714 | I | 81.2 | Confident | 77.6 | Confident | 9 Ų | 9 | 44.3 Ų | 44.3 | 5% | 0.046 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 115.8 | -179.7 | -64 | 171.4 | 0 | 0 | 0 | 108.2 | P711 V716 F722 L724 I792 I793 N794 | P711-I714 HydrophobicContact CG-CD1 4.04Å; P711-I714 HydrophobicContact CG-CG1 3.52Å; I714-V716 HydrophobicContact CG2-CG1 3.48Å; I714-V716 VanDerWaalsContact CG2-CG1 3.48Å; I714-V716 HydrophobicContact CG2-CG2 4.35Å; I714-F722 HydrophobicContact CD1-CD2 3.59Å; I714-F722 HydrophobicContact CD1-CE2 4.07Å; I714-F722 HydrophobicContact CD1-CG 4.48Å; I714-F722 HydrophobicContact CG2-CB 3.83Å; I714-F722 HydrophobicContact CG2-CD2 3.99Å; I714-F722 HydrophobicContact CG2-CG 3.89Å; I714-L724 HydrophobicContact CD1-CB 3.99Å; I714-I792 PolarHBondContact N-O 3.43Å; I714-I793 HydrophobicContact CB-CG1 4.39Å; I714-I793 HydrophobicContact CD1-CG1 4.49Å; I714-I793 CarbonylContact O-C 3.4Å; I714-I793 WeakPolarHBondContact O-CA 2.6Å; I714-N794 PolarHBondContact O-N 2.64Å |
| 715 | V | 76.8 | Confident | 78.3 | Confident | 83 Ų | 83 | 42.9 Ų | 42.9 | 50% | 0.503 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 112.6 | 175.8 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | R713 N794 | R713-V715 HydrophobicContact CG-CG2 4.31Å; V715-N794 WeakPolarHBondContact CA-O 2.85Å; V715-N794 HydrophobicContact CG2-CB 4.35Å |
| 716 | V | 76.7 | Confident | 79.4 | Confident | 14 Ų | 14 | 42.6 Ų | 42.6 | 9% | 0.085 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 148.6 | -174.7 | -71.2 | 0 | 0 | 0 | 0 | 108.2 | I714 E720 F722 I793 N794 V795 V796 | I714-V716 HydrophobicContact CG2-CG1 3.48Å; I714-V716 VanDerWaalsContact CG2-CG1 3.48Å; I714-V716 HydrophobicContact CG2-CG2 4.35Å; V716-E720 HydrophobicContact CB-CB 3.98Å; V716-E720 HydrophobicContact CB-CG 4.46Å; V716-F722 HydrophobicContact CG1-CB 3.83Å; V716-F722 HydrophobicContact CG1-CD1 4.27Å; V716-F722 HydrophobicContact CG1-CG 4.34Å; V716-F722 HydrophobicContact CG2-CD1 3.86Å; V716-F722 HydrophobicContact CG2-CE1 4.24Å; V716-I793 HydrophobicContact CG2-CG2 4.35Å; V716-N794 PolarHBondContact N-O 2.65Å; V716-V795 HydrophobicContact CG2-CG2 4.48Å; V716-V795 WeakPolarHBondContact O-CA 3.46Å; V716-V796 PolarHBondContact O-N 2.87Å |
| 717 | K | 69.2 | Low | 79.8 | Confident | 114 Ų | 114 | 44.7 Ų | 44.7 | 50% | 0.496 | 24% | 0.24 | S | C | . | . | trans | -68.7 | 0 | 171.4 | -63.9 | 179.5 | -175.2 | 177.5 | 0 | 111.3 | S719 E720 | K717-S719 PolarHBondContact O-N 2.87Å; K717-E720 HydrophobicContact CB-CB 4.29Å; K717-E720 PolarHBondContact N-OE2 2.98Å; K717-E720 VanDerWaalsContact O-CB 3.26Å; K717-E720 WeakPolarHBondContact O-CB 3.46Å; K717-E720 PolarHBondContact O-N 3.17Å | ||
| 718 | P | 73.9 | Confident | 79.7 | Confident | 45 Ų | 45 | 45.4 Ų | 45.4 | 29% | 0.292 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | 0 | 119.1 | 0 | -21.1 | 28.6 | 0 | 0 | 0 | 112 | E720 L770 A772 V795 V796 P797 | P718-E720 PolarHBondContact O-N 2.78Å; P718-L770 CarbonylContact C-O 3.37Å; P718-L770 WeakPolarHBondContact CA-O 3.4Å; P718-A772 HydrophobicContact CB-CB 4.25Å; P718-A772 HydrophobicContact CG-CB 3.8Å; P718-V795 HydrophobicContact CB-CG1 4.2Å; P718-V795 HydrophobicContact CG-CG1 4.18Å; P718-V796 WeakPolarHBondContact CD-O 3.4Å; P718-P797 HydrophobicContact CG-CB 4.16Å | |
| 719 | S | 76.9 | Confident | 79.2 | Confident | 80 Ų | 80 | 47.3 Ų | 47.3 | 56% | 0.559 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92 | 4.4 | 171 | -60.3 | 0 | 0 | 0 | 0 | 110.1 | K717 N768 L770 | K717-S719 PolarHBondContact O-N 2.87Å; S719-N768 CarbonylContact C-O 3.48Å; S719-N768 WeakPolarHBondContact CA-O 3.46Å; S719-L770 PolarHBondContact N-O 2.67Å |
| 720 | E | 77.2 | Confident | 78.3 | Confident | 88 Ų | 88 | 52 Ų | 52 | 41% | 0.411 | 28% | 0.277 | S | S | . | . | trans | -78.3 | 121.5 | 173.7 | -168.8 | 177.6 | 176 | 0 | 0 | 110.2 | V716 K717 P718 G769 | V716-E720 HydrophobicContact CB-CB 3.98Å; V716-E720 HydrophobicContact CB-CG 4.46Å; K717-E720 HydrophobicContact CB-CB 4.29Å; K717-E720 PolarHBondContact N-OE2 2.98Å; K717-E720 VanDerWaalsContact O-CB 3.26Å; K717-E720 WeakPolarHBondContact O-CB 3.46Å; K717-E720 PolarHBondContact O-N 3.17Å; P718-E720 PolarHBondContact O-N 2.78Å; E720-G769 WeakPolarHBondContact O-CA 3.22Å | ||
| 721 | P | 84 | Confident | 77.2 | Confident | 80 Ų | 80 | 56.3 Ų | 56.3 | 52% | 0.519 | 31% | 0.308 | S | S | . | . | trans | -62.8 | 146.8 | -177.4 | 15.1 | -18.7 | 0 | 0 | 0 | 112.2 | A766 P767 | P721-A766 WeakPolarHBondContact CA-O 3.49Å; P721-P767 WeakPolarHBondContact CB-O 3.28Å; P721-P767 WeakPolarHBondContact CG-O 3.34Å | ||
| 722 | F | 87.4 | Confident | 76 | Confident | 20 Ų | 20 | 58.7 Ų | 58.7 | 9% | 0.088 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 163.5 | 175.6 | 65.2 | -91 | 0 | 0 | 0 | 109.2 | I714 V716 F753 A766 L770 I793 | I714-F722 HydrophobicContact CD1-CD2 3.59Å; I714-F722 HydrophobicContact CD1-CE2 4.07Å; I714-F722 HydrophobicContact CD1-CG 4.48Å; I714-F722 HydrophobicContact CG2-CB 3.83Å; I714-F722 HydrophobicContact CG2-CD2 3.99Å; I714-F722 HydrophobicContact CG2-CG 3.89Å; V716-F722 HydrophobicContact CG1-CB 3.83Å; V716-F722 HydrophobicContact CG1-CD1 4.27Å; V716-F722 HydrophobicContact CG1-CG 4.34Å; V716-F722 HydrophobicContact CG2-CD1 3.86Å; V716-F722 HydrophobicContact CG2-CE1 4.24Å; F722-F753 HydrophobicContact CE2-CE1 4.04Å; F722-F753 AromaticContact CZ-CE1 3.58Å; F722-F753 HydrophobicContact CZ-CE1 3.58Å; F722-F753 HydrophobicContact CZ-CZ 4.23Å; F722-A766 HydrophobicContact CD1-CB 3.9Å; F722-A766 HydrophobicContact CD2-CB 4.45Å; F722-A766 HydrophobicContact CE1-CB 3.48Å; F722-A766 VanDerWaalsContact CE1-CB 3.48Å; F722-A766 HydrophobicContact CE2-CB 4.09Å; F722-A766 HydrophobicContact CG-CB 4.37Å; F722-A766 HydrophobicContact CZ-CB 3.59Å; F722-A766 PolarHBondContact N-O 2.81Å; F722-A766 PolarHBondContact O-N 3.33Å; F722-L770 HydrophobicContact CE1-CD1 3.81Å; F722-L770 HydrophobicContact CE1-CG 3.81Å; F722-L770 HydrophobicContact CZ-CD1 3.71Å; F722-L770 HydrophobicContact CZ-CG 4.12Å; F722-I793 HydrophobicContact CE1-CG2 4.17Å; F722-I793 HydrophobicContact CE2-CG1 4.18Å; F722-I793 HydrophobicContact CE2-CG2 4.43Å; F722-I793 HydrophobicContact CZ-CG1 4.32Å; F722-I793 HydrophobicContact CZ-CG2 3.93Å |
| 723 | S | 86 | Confident | 75.1 | Confident | 62 Ų | 62 | 61.8 Ų | 61.8 | 43% | 0.434 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 147 | 176.9 | 60.4 | 0 | 0 | 0 | 0 | 109.9 | I764 | S723-I764 CarbonylContact C-O 3.28Å; S723-I764 WeakPolarHBondContact CA-O 3.27Å |
| 724 | L | 87.3 | Confident | 74.5 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 0 | 177.3 | 101.9 | 103.5 | 0 | 0 | 0 | 110 | V709 I714 L763 I764 I779 A791 | V709-L724 HydrophobicContact CG1-CD1 3.47Å; V709-L724 VanDerWaalsContact CG1-CD1 3.47Å; I714-L724 HydrophobicContact CD1-CB 3.99Å; L724-L763 CarbonylContact O-C 3.53Å; L724-I764 HydrophobicContact CB-CB 4.49Å; L724-I764 HydrophobicContact CD1-CD1 3.97Å; L724-I764 HydrophobicContact CD2-CB 3.2Å; L724-I764 HydrophobicContact CD2-CD1 3.22Å; L724-I764 HydrophobicContact CD2-CG1 3.76Å; L724-I764 HydrophobicContact CD2-CG2 3.49Å; L724-I764 VanDerWaalsContact CD2-CG2 3.49Å; L724-I764 HydrophobicContact CG-CB 3.53Å; L724-I764 HydrophobicContact CG-CD1 3.64Å; L724-I764 HydrophobicContact CG-CG1 3.96Å; L724-I764 HydrophobicContact CG-CG2 4.37Å; L724-I764 PolarHBondContact N-O 3.06Å; L724-I764 WeakPolarHBondContact O-CA 2.98Å; L724-I764 PolarHBondContact O-N 2.64Å; L724-I779 HydrophobicContact CD2-CB 4.3Å; L724-I779 HydrophobicContact CD2-CD1 3.59Å; L724-I779 HydrophobicContact CD2-CG2 3.99Å; L724-A791 HydrophobicContact CD1-CB 4.35Å |
| 725 | K | 84.2 | Confident | 74.3 | Confident | 63 Ų | 63 | 64.5 Ų | 64.5 | 27% | 0.274 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -176.6 | 172.3 | 70.8 | 178.3 | 0 | 109.4 | V709 I710 Q727 I761 L763 | V709-K725 CarbonylContact C-O 3.15Å; V709-K725 WeakPolarHBondContact CA-O 3.14Å; I710-K725 PolarHBondContact N-O 1.08Å; I710-K725 PolarHBondContact O-N 3.2Å; K725-Q727 VanDerWaalsContact CE-OE1 3.31Å; K725-Q727 HydrophobicContact CG-CB 4.38Å; K725-I761 HydrophobicContact CD-CG2 3.7Å; K725-I761 HydrophobicContact CG-CG2 3.46Å; K725-I761 VanDerWaalsContact CG-CG2 3.46Å; K725-L763 HydrophobicContact CB-CD1 4.06Å; K725-L763 HydrophobicContact CG-CD1 4.49Å | |
| 726 | C | 88 | Confident | 74.4 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 111.8 | 0 | -61.5 | 0 | 0 | 0 | 0 | 110.4 | P736 I761 L762 C781 | C726-P736 HydrophobicContact CB-CB 4.12Å; C726-P736 HydrophobicContact CB-CG 4.07Å; C726-I761 CarbonylContact O-C 3.57Å; C726-I761 WeakPolarHBondContact O-CA 3.29Å; C726-L762 HydrophobicContact CB-CB 3.74Å; C726-L762 HydrophobicContact CB-CD2 4.22Å; C726-L762 PolarHBondContact N-O 3.27Å; C726-L762 PolarHBondContact O-N 2.66Å; C726-C781 HydrophobicContact CB-CB 3.79Å; C726-C781 WeakPolarHBondContact CB-SG 3.29Å; C726-C781 WeakPolarHBondContact SG-CB 3.24Å; C726-C781 CovalentContact SG-SG 1.74Å; C726-C781 PolarHBondContact SG-SG 2.86Å | |
| 727 | Q | 81.4 | Confident | 74.9 | Confident | 58 Ų | 58 | 63.1 Ų | 63.1 | 27% | 0.271 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 0 | -171.9 | 179.4 | 177.5 | 8.9 | 0 | 0 | 109.7 | T708 K725 G760 I761 | T708-Q727 PolarHBondContact N-O 3.27Å; T708-Q727 PolarHBondContact O-N 2.14Å; T708-Q727 PolarHBondContact OG1-O 2.04Å; T708-Q727 VanDerWaalsContact OG1-O 3.06Å; K725-Q727 VanDerWaalsContact CE-OE1 3.31Å; K725-Q727 HydrophobicContact CG-CB 4.38Å; Q727-G760 CarbonylContact C-O 3.59Å; Q727-G760 WeakPolarHBondContact CA-O 3.47Å; Q727-I761 HydrophobicContact CB-CG1 4.25Å; Q727-I761 HydrophobicContact CG-CD1 4.42Å; Q727-I761 HydrophobicContact CG-CG1 3.79Å |
| 728 | T | 76.2 | Confident | 75.9 | Confident | 17 Ų | 17 | 58 Ų | 58 | 10% | 0.104 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 137.2 | 0 | 170.1 | 0 | 0 | 0 | 0 | 109.5 | G706 L730 G760 | G706-T728 WeakPolarHBondContact O-CA 3.49Å; T728-L730 PolarHBondContact OG1-N 3.42Å; T728-G760 WeakPolarHBondContact CG2-O 3.03Å; T728-G760 PolarHBondContact N-O 3.04Å | |
| 729 | I | 66.9 | Low | 76.6 | Confident | 56 Ų | 56 | 59.3 Ų | 59.3 | 29% | 0.287 | 33% | 0.333 | S | S | . | . | trans | -92.9 | 0 | -176.9 | -18.6 | 160.8 | 0 | 0 | 0 | 108.6 | C686 A705 G706 T708 | C686-I729 HydrophobicContact CB-CG2 4.37Å; A705-I729 HydrophobicContact CB-CD1 3.93Å; G706-I729 WeakPolarHBondContact O-CG1 3.44Å; G706-I729 PolarHBondContact O-N 2.58Å; G706-I729 VanDerWaalsContact O-N 3.1Å; T708-I729 HydrophobicContact CG2-CD1 3.84Å; T708-I729 HydrophobicContact CG2-CG1 4.12Å | ||
| 730 | L | 64 | Low | 77 | Confident | 101 Ų | 101 | 56.3 Ų | 56.3 | 53% | 0.529 | 31% | 0.31 | S | S | . | . | S | Bend | 0 | 122.9 | 0 | -68.7 | 156.8 | 0 | 0 | 0 | 110.5 | T728 | T728-L730 PolarHBondContact OG1-N 3.42Š| |
| 731 | P | 53.2 | Low | 77.2 | Confident | 123 Ų | 123 | 54 Ų | 54 | 80% | 0.799 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 0 | -178.8 | 1.8 | 1 | 0 | 0 | 0 | 111.8 | ||
| 732 | G | 51.9 | Low | 76.9 | Confident | 74 Ų | 74 | 57.7 Ų | 57.7 | 76% | 0.763 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 46.1 | 0 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||
| 733 | T | 56.9 | Low | 76.2 | Confident | 91 Ų | 91 | 59.4 Ų | 59.4 | 56% | 0.558 | 32% | 0.321 | S | S | * | . | trans | 172.9 | 122.3 | -179.1 | 48.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 734 | R | 64.9 | Low | 75.6 | Confident | 132 Ų | 132 | 58.5 Ų | 58.5 | 50% | 0.498 | 32% | 0.322 | S | S | . | . | trans | 92.2 | 122.6 | 131.6 | -75.5 | -164.2 | -70.2 | -171.4 | 1 | 110 | F783 D785 E786 | R734-F783 HydrophobicContact CB-CD1 4.2Å; R734-F783 HydrophobicContact CB-CE1 4.05Å; R734-F783 VanDerWaalsContact O-CE1 3.28Å; R734-F783 WeakPolarHBondContact O-CE1 2.4Å; R734-D785 IonicContact NH1-OD2 3.1Å; R734-E786 IonicContact NH2-OE1 3.42Å; R734-E786 PolarHBondContact NH2-OE1 2.68Å | ||
| 735 | M | 77.4 | Confident | 75.4 | Confident | 54 Ų | 54 | 66.8 Ų | 66.8 | 27% | 0.266 | 35% | 0.353 | S | S | . | . | trans | -73.3 | 0 | -179.4 | -143.9 | -62.2 | -171 | 0 | 0 | 110.3 | R757 L762 | M735-R757 HydrophobicContact CE-CB 2.98Å; M735-R757 VanDerWaalsContact CE-CD 3.49Å; M735-R757 HydrophobicContact CE-CG 2.77Å; M735-R757 HydrophobicContact SD-CG 4.32Å; M735-L762 HydrophobicContact CE-CB 3.66Å; M735-L762 HydrophobicContact CE-CD1 3.04Å; M735-L762 HydrophobicContact CE-CG 3.82Å; M735-L762 HydrophobicContact SD-CB 3.99Å; M735-L762 HydrophobicContact SD-CD1 3.34Å; M735-L762 WeakPolarHBondContact SD-CD1 3.36Å; M735-L762 HydrophobicContact SD-CG 4.32Å | ||
| 736 | P | 79.1 | Confident | 75.3 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | 0 | 148.3 | 0 | 18.6 | -19.5 | 0 | 0 | 0 | 112 | L707 C726 L762 F783 | L707-P736 HydrophobicContact CD1-CB 3.79Å; L707-P736 HydrophobicContact CD1-CG 4.38Å; C726-P736 HydrophobicContact CB-CB 4.12Å; C726-P736 HydrophobicContact CB-CG 4.07Å; P736-L762 HydrophobicContact CG-CB 3.91Å; P736-L762 WeakPolarHBondContact O-CD1 3.25Å; P736-F783 VanDerWaalsContact CA-CE1 3.41Å; P736-F783 HydrophobicContact CB-CE1 3.83Å; P736-F783 HydrophobicContact CB-CZ 4.15Å; P736-F783 HydrophobicContact CG-CE1 4.35Å; P736-F783 VanDerWaalsContact N-CE1 3.31Å | |||
| 737 | H | 87.8 | Confident | 75.2 | Confident | 68 Ų | 68 | 67.6 Ų | 67.6 | 32% | 0.315 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 0 | 174.2 | -66.7 | -94.4 | 0 | 0 | 0 | 109.9 | C781 Y782 | H737-C781 CarbonylContact O-C 3.42Å; H737-C781 VanDerWaalsContact O-CA 3.29Å; H737-C781 WeakPolarHBondContact O-CA 2.71Å; H737-Y782 HydrophobicContact CB-CD1 4.28Å; H737-Y782 HydrophobicContact CB-CE1 3.76Å; H737-Y782 HydrophobicContact CB-CE2 4.18Å; H737-Y782 PolarHBondContact N-O 2.88Å; H737-Y782 PolarHBondContact O-N 3.14Å |
| 738 | A | 88.8 | Confident | 75.1 | Confident | 6 Ų | 6 | 69.3 Ų | 69.3 | 5% | 0.05 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 136.2 | 0 | 0 | 0 | 0 | 0 | 0 | 109.8 | V747 L762 I764 I779 E780 | A738-V747 HydrophobicContact CB-CB 4.2Å; A738-V747 HydrophobicContact CB-CG2 3.83Å; A738-V747 PolarHBondContact O-N 3.38Å; A738-V747 VanDerWaalsContact O-N 3.17Å; A738-L762 HydrophobicContact CB-CD2 3.68Å; A738-I764 HydrophobicContact CB-CD1 3.33Å; A738-I764 HydrophobicContact CB-CG1 4.43Å; A738-I779 HydrophobicContact CB-CG2 4.14Å; A738-E780 VanDerWaalsContact CA-O 3.26Å; A738-E780 WeakPolarHBondContact CA-O 3.33Å | |
| 739 | R | 89.2 | Confident | 75.4 | Confident | 73 Ų | 73 | 72 Ų | 72 | 28% | 0.275 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 0 | 176.8 | 67.2 | 179.9 | 173.9 | -177.6 | 3.8 | 109.5 | R745 E780 Y782 | R739-R745 CarbonylContact C-O 3.54Å; R739-R745 VanDerWaalsContact CA-O 3.27Å; R739-R745 WeakPolarHBondContact CA-O 3.42Å; R739-R745 WeakPolarHBondContact CB-O 2.48Å; R739-E780 HydrophobicContact CB-CG 4.39Å; R739-E780 VanDerWaalsContact CD-CD 3.49Å; R739-E780 WeakPolarHBondContact CD-OE1 2.5Å; R739-E780 HydrophobicContact CG-CG 3.1Å; R739-E780 WeakPolarHBondContact CG-OE1 2.52Å; R739-E780 VanDerWaalsContact CZ-CD 3.43Å; R739-E780 IonicContact CZ-OE1 3.68Å; R739-E780 IonicContact CZ-OE2 3.38Å; R739-E780 PolarHBondContact N-O 2.63Å; R739-E780 VanDerWaalsContact N-O 3.08Å; R739-E780 CovalentContact NE-OE1 1.36Å; R739-E780 IonicContact NE-OE1 3.7Å; R739-E780 PolarHBondContact NE-OE1 3.37Å; R739-E780 IonicContact NE-OE2 3.29Å; R739-E780 PolarHBondContact NE-OE2 3.31Å; R739-E780 IonicContact NH1-OE1 3.28Å; R739-E780 IonicContact NH2-OE1 3.57Å; R739-E780 PolarHBondContact NH2-OE1 3.34Å; R739-E780 IonicContact NH2-OE2 3.7Å; R739-E780 WeakPolarHBondContact O-CG 1.5Å; R739-E780 PolarHBondContact O-N 2.37Å; R739-Y782 HydrophobicContact CB-CE1 4.1Å; R739-Y782 HydrophobicContact CG-CD1 4.24Å; R739-Y782 HydrophobicContact CG-CE1 3.8Å |
| 740 | F | 86.2 | Confident | 76 | Confident | 16 Ų | 16 | 70.6 Ų | 70.6 | 7% | 0.07 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 127.6 | 0 | -68.3 | -72.7 | 0 | 0 | 0 | 109.6 | Y742 S743 G744 R745 V747 D750 F753 T777 I779 | F740-Y742 VanDerWaalsContact C-N 3.34Å; F740-Y742 PolarHBondContact O-N 3.33Å; F740-S743 WeakPolarHBondContact CB-OG 3.34Å; F740-G744 VanDerWaalsContact O-CA 3.24Å; F740-G744 WeakPolarHBondContact O-CA 2.45Å; F740-G744 PolarHBondContact O-N 2.47Å; F740-R745 PolarHBondContact N-O 3.36Å; F740-V747 HydrophobicContact CD2-CG2 4.42Å; F740-V747 HydrophobicContact CE1-CG2 4.42Å; F740-V747 HydrophobicContact CE2-CB 4.36Å; F740-V747 HydrophobicContact CE2-CG1 4.49Å; F740-V747 HydrophobicContact CE2-CG2 4.3Å; F740-V747 HydrophobicContact CZ-CB 4.42Å; F740-V747 HydrophobicContact CZ-CG1 4.12Å; F740-V747 HydrophobicContact CZ-CG2 4.3Å; F740-D750 HydrophobicContact CE2-CB 3.49Å; F740-D750 VanDerWaalsContact CE2-CB 3.49Å; F740-D750 HydrophobicContact CZ-CB 3.77Å; F740-F753 HydrophobicContact CE1-CD2 4.31Å; F740-F753 AromaticContact CE1-CE2 3.67Å; F740-F753 HydrophobicContact CE1-CE2 3.67Å; F740-F753 HydrophobicContact CE1-CZ 4.09Å; F740-F753 AromaticContact CZ-CD2 3.63Å; F740-F753 HydrophobicContact CZ-CD2 3.63Å; F740-F753 AromaticContact CZ-CE2 3.38Å; F740-F753 HydrophobicContact CZ-CE2 3.38Å; F740-F753 HydrophobicContact CZ-CZ 4.23Å; F740-T777 HydrophobicContact CD1-CG2 3.9Å; F740-T777 HydrophobicContact CE1-CG2 3.84Å; F740-I779 HydrophobicContact CD1-CG1 4.05Å; F740-I779 HydrophobicContact CE1-CD1 4.25Å; F740-I779 HydrophobicContact CE1-CG1 3.96Å | |
| 741 | V | 79.8 | Confident | 76.8 | Confident | 39 Ų | 39 | 71.6 Ų | 71.6 | 24% | 0.236 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -40.7 | -173.8 | 174.3 | 0 | 0 | 0 | 0 | 109.8 | R778 E780 T790 | V741-R778 HydrophobicContact CB-CB 3.85Å; V741-R778 HydrophobicContact CG2-CB 3.59Å; V741-R778 PolarHBondContact N-O 3.22Å; V741-E780 HydrophobicContact CG2-CB 4.06Å; V741-E780 HydrophobicContact CG2-CG 4.43Å; V741-T790 HydrophobicContact CG2-CG2 4.01Å |
| 742 | Y | 77.5 | Confident | 78.2 | Confident | 158 Ų | 158 | 70.7 Ų | 70.7 | 62% | 0.62 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -31.3 | -171.4 | -69.6 | -64.7 | 0 | 0 | 0 | 110.7 | F740 R778 | F740-Y742 VanDerWaalsContact C-N 3.34Å; F740-Y742 PolarHBondContact O-N 3.33Å; Y742-R778 HydrophobicContact CE2-CG 4.14Å; Y742-R778 PolarHBondContact OH-NE 1.75Å |
| 743 | S | 73.1 | Confident | 79.9 | Confident | 57 Ų | 57 | 67.7 Ų | 67.7 | 40% | 0.399 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 0 | -175.3 | 64.9 | 0 | 0 | 0 | 0 | 110.4 | F740 R745 | F740-S743 WeakPolarHBondContact CB-OG 3.34Å; S743-R745 PolarHBondContact O-N 3.21Å; S743-R745 WeakPolarHBondContact OG-CB 2.74Å; S743-R745 PolarHBondContact OG-N 2.57Å |
| 744 | G | 74 | Confident | 81.3 | Confident | 43 Ų | 43 | 67.5 Ų | 67.5 | 44% | 0.443 | 33% | 0.334 | S | S | . | . | 0 | -0.6 | 0 | 0 | 0 | 0 | 0 | 0 | 112.4 | F740 | F740-G744 VanDerWaalsContact O-CA 3.24Å; F740-G744 WeakPolarHBondContact O-CA 2.45Å; F740-G744 PolarHBondContact O-N 2.47Å | |||
| 745 | R | 82.7 | Confident | 82.4 | Confident | 174 Ų | 174 | 62.9 Ų | 62.9 | 66% | 0.657 | 32% | 0.319 | S | S | * | . | trans | -77.3 | 144.1 | -179 | -74.4 | -165.2 | -100.2 | -135.1 | 0.6 | 110.4 | R739 F740 S743 V747 | R739-R745 CarbonylContact C-O 3.54Å; R739-R745 VanDerWaalsContact CA-O 3.27Å; R739-R745 WeakPolarHBondContact CA-O 3.42Å; R739-R745 WeakPolarHBondContact CB-O 2.48Å; F740-R745 PolarHBondContact N-O 3.36Å; S743-R745 PolarHBondContact O-N 3.21Å; S743-R745 WeakPolarHBondContact OG-CB 2.74Å; S743-R745 PolarHBondContact OG-N 2.57Å; R745-V747 PolarHBondContact O-N 3.07Å | ||
| 746 | D | 82.2 | Confident | 82.7 | Confident | 79 Ų | 79 | 64.8 Ų | 64.8 | 42% | 0.422 | 33% | 0.327 | S | S | . | . | B | Isolated β-bridge | trans | -63.7 | 0 | 177.1 | -74.2 | -19.6 | 0 | 0 | 0 | 111.2 | E748 S749 | D746-E748 PolarHBondContact O-N 2.98Å; D746-S749 WeakPolarHBondContact O-CB 3.33Å; D746-S749 PolarHBondContact O-N 2.86Å; D746-S749 PolarHBondContact O-OG 3.42Å |
| 747 | V | 85.4 | Confident | 83 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | G | 310 helix | 0 | -22.6 | 0 | 174.7 | 0 | 0 | 0 | 0 | 109.3 | A738 F740 R745 S749 D750 F753 I755 I764 I779 | A738-V747 HydrophobicContact CB-CB 4.2Å; A738-V747 HydrophobicContact CB-CG2 3.83Å; A738-V747 PolarHBondContact O-N 3.38Å; A738-V747 VanDerWaalsContact O-N 3.17Å; F740-V747 HydrophobicContact CD2-CG2 4.42Å; F740-V747 HydrophobicContact CE1-CG2 4.42Å; F740-V747 HydrophobicContact CE2-CB 4.36Å; F740-V747 HydrophobicContact CE2-CG1 4.49Å; F740-V747 HydrophobicContact CE2-CG2 4.3Å; F740-V747 HydrophobicContact CZ-CB 4.42Å; F740-V747 HydrophobicContact CZ-CG1 4.12Å; F740-V747 HydrophobicContact CZ-CG2 4.3Å; R745-V747 PolarHBondContact O-N 3.07Å; V747-S749 PolarHBondContact O-N 3.31Å; V747-D750 PolarHBondContact O-N 3.06Å; V747-F753 HydrophobicContact CG1-CB 3.68Å; V747-F753 HydrophobicContact CG1-CD1 4.33Å; V747-F753 HydrophobicContact CG1-CD2 4.13Å; V747-F753 HydrophobicContact CG1-CG 3.81Å; V747-I755 HydrophobicContact CB-CD1 4.46Å; V747-I764 HydrophobicContact CG1-CG2 3.86Å; V747-I779 HydrophobicContact CG1-CD1 4.49Å; V747-I779 HydrophobicContact CG2-CD1 4.43Å; V747-I779 HydrophobicContact CG2-CG1 4.27Å; V747-I779 HydrophobicContact CG2-CG2 3.69Å | |
| 748 | E | 80.5 | Confident | 82.5 | Confident | 94 Ų | 94 | 69.5 Ų | 69.5 | 44% | 0.439 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -71.1 | -24.2 | -179.1 | -76.1 | 168.4 | -174.6 | 0 | 0 | 111.3 | D746 D750 I755 R757 | D746-E748 PolarHBondContact O-N 2.98Å; E748-D750 PolarHBondContact O-N 2.95Å; E748-I755 HydrophobicContact CB-CD1 3.66Å; E748-I755 VanDerWaalsContact CD-CD1 3.45Å; E748-I755 HydrophobicContact CG-CB 4.26Å; E748-I755 HydrophobicContact CG-CD1 2.48Å; E748-I755 HydrophobicContact CG-CG1 3.75Å; E748-I755 WeakPolarHBondContact OE1-CD1 3.42Å; E748-R757 IonicContact OE1-CZ 3.82Å; E748-R757 IonicContact OE1-NE 3.99Å; E748-R757 PolarHBondContact OE1-NE 2.88Å; E748-R757 IonicContact OE1-NH1 3.81Å; E748-R757 CovalentContact OE1-NH2 1.75Å; E748-R757 IonicContact OE1-NH2 3.38Å; E748-R757 PolarHBondContact OE1-NH2 2.94Å; E748-R757 IonicContact OE2-NH2 3.22Å; E748-R757 PolarHBondContact OE2-NH2 3.47Å |
| 749 | S | 81.2 | Confident | 81.7 | Confident | 73 Ų | 73 | 75.7 Ų | 75.7 | 51% | 0.51 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -76.2 | 0 | -178.1 | 63.4 | 0 | 0 | 0 | 0 | 111.4 | D746 V747 | D746-S749 WeakPolarHBondContact O-CB 3.33Å; D746-S749 PolarHBondContact O-N 2.86Å; D746-S749 PolarHBondContact O-OG 3.42Å; V747-S749 PolarHBondContact O-N 3.31Å |
| 750 | D | 80.3 | Confident | 80.8 | Confident | 28 Ų | 28 | 73 Ų | 73 | 15% | 0.15 | 38% | 0.384 | C | S | . | . | S | Bend | 0 | 113.2 | 0 | -167.4 | -40.8 | 0 | 0 | 0 | 110.3 | F740 V747 E748 R752 F753 | F740-D750 HydrophobicContact CE2-CB 3.49Å; F740-D750 VanDerWaalsContact CE2-CB 3.49Å; F740-D750 HydrophobicContact CZ-CB 3.77Å; V747-D750 PolarHBondContact O-N 3.06Å; E748-D750 PolarHBondContact O-N 2.95Å; D750-R752 PolarHBondContact O-N 2.85Å; D750-R752 WeakPolarHBondContact OD1-CB 2.99Å; D750-R752 WeakPolarHBondContact OD1-CG 3.38Å; D750-R752 IonicContact OD1-CZ 3.22Å; D750-R752 PolarHBondContact OD1-N 3.18Å; D750-R752 VanDerWaalsContact OD1-N 3.09Å; D750-R752 IonicContact OD1-NE 3.14Å; D750-R752 PolarHBondContact OD1-NE 3.03Å; D750-R752 IonicContact OD1-NH2 3.2Å; D750-R752 IonicContact OD2-CZ 3.6Å; D750-R752 IonicContact OD2-NE 3.86Å; D750-R752 PolarHBondContact OD2-NE 2.93Å; D750-R752 IonicContact OD2-NH2 3.42Å; D750-R752 PolarHBondContact OD2-NH2 3.48Å; D750-F753 HydrophobicContact CB-CD2 4.09Å; D750-F753 PolarHBondContact O-N 3.29Å | |
| 751 | P | 80.9 | Confident | 80.6 | Confident | 121 Ų | 121 | 74.2 Ų | 74.2 | 79% | 0.786 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -15.7 | -172.7 | 17.2 | -22.7 | 0 | 0 | 0 | 111.8 | F753 | P751-F753 PolarHBondContact O-N 3.22Š|
| 752 | R | 81.5 | Confident | 81 | Confident | 105 Ų | 105 | 72.4 Ų | 72.4 | 40% | 0.396 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -14 | -178.9 | -67.3 | 175.2 | -64.2 | 177.3 | -0.2 | 110.5 | D750 L770 | D750-R752 PolarHBondContact O-N 2.85Å; D750-R752 WeakPolarHBondContact OD1-CB 2.99Å; D750-R752 WeakPolarHBondContact OD1-CG 3.38Å; D750-R752 IonicContact OD1-CZ 3.22Å; D750-R752 PolarHBondContact OD1-N 3.18Å; D750-R752 VanDerWaalsContact OD1-N 3.09Å; D750-R752 IonicContact OD1-NE 3.14Å; D750-R752 PolarHBondContact OD1-NE 3.03Å; D750-R752 IonicContact OD1-NH2 3.2Å; D750-R752 IonicContact OD2-CZ 3.6Å; D750-R752 IonicContact OD2-NE 3.86Å; D750-R752 PolarHBondContact OD2-NE 2.93Å; D750-R752 IonicContact OD2-NH2 3.42Å; D750-R752 PolarHBondContact OD2-NH2 3.48Å; R752-L770 HydrophobicContact CB-CD2 4.02Å |
| 753 | F | 89.6 | Confident | 81.5 | Confident | 11 Ų | 11 | 66.5 Ų | 66.5 | 5% | 0.048 | 36% | 0.359 | C | S | . | . | trans | -118.6 | 0 | -175.7 | -66.3 | -85.7 | 0 | 0 | 0 | 109.8 | F722 F740 V747 D750 P751 I764 K765 A766 L770 I779 | F722-F753 HydrophobicContact CE2-CE1 4.04Å; F722-F753 AromaticContact CZ-CE1 3.58Å; F722-F753 HydrophobicContact CZ-CE1 3.58Å; F722-F753 HydrophobicContact CZ-CZ 4.23Å; F740-F753 HydrophobicContact CE1-CD2 4.31Å; F740-F753 AromaticContact CE1-CE2 3.67Å; F740-F753 HydrophobicContact CE1-CE2 3.67Å; F740-F753 HydrophobicContact CE1-CZ 4.09Å; F740-F753 AromaticContact CZ-CD2 3.63Å; F740-F753 HydrophobicContact CZ-CD2 3.63Å; F740-F753 AromaticContact CZ-CE2 3.38Å; F740-F753 HydrophobicContact CZ-CE2 3.38Å; F740-F753 HydrophobicContact CZ-CZ 4.23Å; V747-F753 HydrophobicContact CG1-CB 3.68Å; V747-F753 HydrophobicContact CG1-CD1 4.33Å; V747-F753 HydrophobicContact CG1-CD2 4.13Å; V747-F753 HydrophobicContact CG1-CG 3.81Å; D750-F753 HydrophobicContact CB-CD2 4.09Å; D750-F753 PolarHBondContact O-N 3.29Å; P751-F753 PolarHBondContact O-N 3.22Å; F753-I764 HydrophobicContact CB-CG2 4.16Å; F753-I764 HydrophobicContact CD1-CG2 3.76Å; F753-I764 HydrophobicContact CG-CG2 4.32Å; F753-K765 CarbonylContact C-O 3.41Å; F753-K765 WeakPolarHBondContact CA-O 3.15Å; F753-A766 HydrophobicContact CD1-CB 3.87Å; F753-A766 HydrophobicContact CE1-CB 3.9Å; F753-L770 HydrophobicContact CE1-CD1 4.36Å; F753-L770 HydrophobicContact CE1-CD2 4.36Å; F753-L770 HydrophobicContact CE2-CD2 3.77Å; F753-L770 HydrophobicContact CZ-CD1 3.7Å; F753-L770 HydrophobicContact CZ-CD2 3.54Å; F753-L770 HydrophobicContact CZ-CG 4.08Å; F753-I779 HydrophobicContact CD1-CD1 4.37Å; F753-I779 HydrophobicContact CE1-CD1 3.85Å; F753-I779 HydrophobicContact CZ-CD1 4.13Å | ||
| 754 | I | 85.8 | Confident | 82.4 | Confident | 86 Ų | 86 | 63.8 Ų | 63.8 | 44% | 0.441 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 129.1 | 0 | -59.9 | 171.4 | 0 | 0 | 0 | 107.8 | I764 K765 P767 | I754-I764 CarbonylContact O-C 3.52Å; I754-I764 WeakPolarHBondContact O-CA 3.49Å; I754-K765 HydrophobicContact CB-CB 4.29Å; I754-K765 PolarHBondContact N-O 2.99Å; I754-K765 WeakPolarHBondContact O-CA 3.26Å; I754-K765 PolarHBondContact O-N 3.32Å; I754-P767 HydrophobicContact CD1-CB 4.36Å; I754-P767 HydrophobicContact CD1-CG 3.24Å; I754-P767 HydrophobicContact CG1-CG 3.95Å | |
| 755 | I | 86.6 | Confident | 83.1 | Confident | 35 Ų | 35 | 65.1 Ų | 65.1 | 18% | 0.179 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 129.5 | -176.9 | -63.6 | 179.8 | 0 | 0 | 0 | 108.7 | V747 E748 R757 L762 L763 I764 | V747-I755 HydrophobicContact CB-CD1 4.46Å; E748-I755 HydrophobicContact CB-CD1 3.66Å; E748-I755 VanDerWaalsContact CD-CD1 3.45Å; E748-I755 HydrophobicContact CG-CB 4.26Å; E748-I755 HydrophobicContact CG-CD1 2.48Å; E748-I755 HydrophobicContact CG-CG1 3.75Å; E748-I755 WeakPolarHBondContact OE1-CD1 3.42Å; I755-R757 HydrophobicContact CG2-CG 4.17Å; I755-L762 HydrophobicContact CG2-CD1 3.83Å; I755-L762 HydrophobicContact CG2-CD2 4.25Å; I755-L762 HydrophobicContact CG2-CG 3.76Å; I755-L763 CarbonylContact C-O 3.45Å; I755-L763 WeakPolarHBondContact CA-O 3.46Å; I755-I764 HydrophobicContact CG1-CG1 4.43Å |
| 756 | E | 85.2 | Confident | 83.4 | Confident | 94 Ų | 94 | 56.9 Ų | 56.9 | 44% | 0.439 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 125.8 | 173 | -71.7 | -177 | 179.8 | 0 | 0 | 109.4 | L762 L763 K765 | E756-L762 CarbonylContact O-C 3.2Å; E756-L763 HydrophobicContact CB-CB 3.95Å; E756-L763 HydrophobicContact CB-CD2 4.33Å; E756-L763 PolarHBondContact N-O 2.65Å; E756-L763 PolarHBondContact O-N 2.93Å; E756-L763 WeakPolarHBondContact OE2-CD2 3.44Å; E756-K765 IonicContact OE1-NZ 3.39Å; E756-K765 PolarHBondContact OE1-NZ 3.23Å; E756-K765 IonicContact OE2-NZ 3.23Å; E756-K765 PolarHBondContact OE2-NZ 3.06Å |
| 757 | R | 84.9 | Confident | 83.3 | Confident | 120 Ų | 120 | 55.7 Ų | 55.7 | 45% | 0.453 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 122.9 | -175.1 | -65.7 | 175.7 | -171.4 | -94.3 | -0.1 | 110.1 | M735 E748 I755 L762 | M735-R757 HydrophobicContact CE-CB 2.98Å; M735-R757 VanDerWaalsContact CE-CD 3.49Å; M735-R757 HydrophobicContact CE-CG 2.77Å; M735-R757 HydrophobicContact SD-CG 4.32Å; E748-R757 IonicContact OE1-CZ 3.82Å; E748-R757 IonicContact OE1-NE 3.99Å; E748-R757 PolarHBondContact OE1-NE 2.88Å; E748-R757 IonicContact OE1-NH1 3.81Å; E748-R757 CovalentContact OE1-NH2 1.75Å; E748-R757 IonicContact OE1-NH2 3.38Å; E748-R757 PolarHBondContact OE1-NH2 2.94Å; E748-R757 IonicContact OE2-NH2 3.22Å; E748-R757 PolarHBondContact OE2-NH2 3.47Å; I755-R757 HydrophobicContact CG2-CG 4.17Å; R757-L762 HydrophobicContact CG-CD1 3.94Å; R757-L762 VanDerWaalsContact NH1-CD1 3.33Å |
| 758 | S | 77 | Confident | 83.2 | Confident | 48 Ų | 48 | 62.1 Ų | 62.1 | 34% | 0.336 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 0 | 169 | 48.4 | 0 | 0 | 0 | 0 | 110.1 | G760 I761 | S758-G760 PolarHBondContact O-N 2.9Å; S758-I761 CarbonylContact C-O 3.25Å; S758-I761 PolarHBondContact N-O 2.75Å; S758-I761 CarbonylContact O-C 3.52Å; S758-I761 PolarHBondContact O-N 3.17Å; S758-I761 WeakPolarHBondContact OG-CB 3.48Å; S758-I761 WeakPolarHBondContact OG-CG2 3.5Å; S758-I761 PolarHBondContact OG-O 2.67Å |
| 759 | P | 72.1 | Confident | 83.3 | Confident | 136 Ų | 136 | 58 Ų | 58 | 88% | 0.883 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 108.1 | 0 | -17.6 | 25.6 | 0 | 0 | 0 | 111.7 | I761 | P759-I761 VanDerWaalsContact C-N 3.3Å; P759-I761 PolarHBondContact O-N 3.49Å | |
| 760 | G | 71.2 | Confident | 83.5 | Confident | 15 Ų | 15 | 54.5 Ų | 54.5 | 16% | 0.155 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | -5.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q727 T728 S758 | Q727-G760 CarbonylContact C-O 3.59Å; Q727-G760 WeakPolarHBondContact CA-O 3.47Å; T728-G760 WeakPolarHBondContact CG2-O 3.03Å; T728-G760 PolarHBondContact N-O 3.04Å; S758-G760 PolarHBondContact O-N 2.9Å |
| 761 | I | 82 | Confident | 83.5 | Confident | 43 Ų | 43 | 56.2 Ų | 56.2 | 22% | 0.221 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 128.3 | -174.3 | -63.8 | 174.4 | 0 | 0 | 0 | 107.9 | K725 C726 Q727 S758 P759 | K725-I761 HydrophobicContact CD-CG2 3.7Å; K725-I761 HydrophobicContact CG-CG2 3.46Å; K725-I761 VanDerWaalsContact CG-CG2 3.46Å; C726-I761 CarbonylContact O-C 3.57Å; C726-I761 WeakPolarHBondContact O-CA 3.29Å; Q727-I761 HydrophobicContact CB-CG1 4.25Å; Q727-I761 HydrophobicContact CG-CD1 4.42Å; Q727-I761 HydrophobicContact CG-CG1 3.79Å; S758-I761 CarbonylContact C-O 3.25Å; S758-I761 PolarHBondContact N-O 2.75Å; S758-I761 CarbonylContact O-C 3.52Å; S758-I761 PolarHBondContact O-N 3.17Å; S758-I761 WeakPolarHBondContact OG-CB 3.48Å; S758-I761 WeakPolarHBondContact OG-CG2 3.5Å; S758-I761 PolarHBondContact OG-O 2.67Å; P759-I761 VanDerWaalsContact C-N 3.3Å; P759-I761 PolarHBondContact O-N 3.49Å |
| 762 | L | 87.4 | Confident | 82.9 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 107 | 170.4 | -170.4 | 112.7 | 0 | 0 | 0 | 110.2 | C726 M735 P736 A738 I755 E756 R757 I764 | C726-L762 HydrophobicContact CB-CB 3.74Å; C726-L762 HydrophobicContact CB-CD2 4.22Å; C726-L762 PolarHBondContact N-O 3.27Å; C726-L762 PolarHBondContact O-N 2.66Å; M735-L762 HydrophobicContact CE-CB 3.66Å; M735-L762 HydrophobicContact CE-CD1 3.04Å; M735-L762 HydrophobicContact CE-CG 3.82Å; M735-L762 HydrophobicContact SD-CB 3.99Å; M735-L762 HydrophobicContact SD-CD1 3.34Å; M735-L762 WeakPolarHBondContact SD-CD1 3.36Å; M735-L762 HydrophobicContact SD-CG 4.32Å; P736-L762 HydrophobicContact CG-CB 3.91Å; P736-L762 WeakPolarHBondContact O-CD1 3.25Å; A738-L762 HydrophobicContact CB-CD2 3.68Å; I755-L762 HydrophobicContact CG2-CD1 3.83Å; I755-L762 HydrophobicContact CG2-CD2 4.25Å; I755-L762 HydrophobicContact CG2-CG 3.76Å; E756-L762 CarbonylContact O-C 3.2Å; R757-L762 HydrophobicContact CG-CD1 3.94Å; R757-L762 VanDerWaalsContact NH1-CD1 3.33Å; L762-I764 HydrophobicContact CD2-CD1 3.8Å; L762-I764 HydrophobicContact CD2-CG1 3.73Å |
| 763 | L | 88.7 | Confident | 82.4 | Confident | 35 Ų | 35 | 55.6 Ų | 55.6 | 18% | 0.183 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 121 | 179.6 | -175.3 | 69.3 | 0 | 0 | 0 | 110.9 | L724 K725 I755 E756 K765 | L724-L763 CarbonylContact O-C 3.53Å; K725-L763 HydrophobicContact CB-CD1 4.06Å; K725-L763 HydrophobicContact CG-CD1 4.49Å; I755-L763 CarbonylContact C-O 3.45Å; I755-L763 WeakPolarHBondContact CA-O 3.46Å; E756-L763 HydrophobicContact CB-CB 3.95Å; E756-L763 HydrophobicContact CB-CD2 4.33Å; E756-L763 PolarHBondContact N-O 2.65Å; E756-L763 PolarHBondContact O-N 2.93Å; E756-L763 WeakPolarHBondContact OE2-CD2 3.44Å; L763-K765 HydrophobicContact CD2-CD 4Å; L763-K765 HydrophobicContact CD2-CG 4.11Å; L763-K765 HydrophobicContact CG-CD 4.46Å; L763-K765 HydrophobicContact CG-CG 4Å |
| 764 | I | 91.8 | Very high | 81.8 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 118.9 | 179.2 | -56.9 | 170.3 | 0 | 0 | 0 | 109.2 | S723 L724 A738 V747 F753 I754 I755 L762 I779 | S723-I764 CarbonylContact C-O 3.28Å; S723-I764 WeakPolarHBondContact CA-O 3.27Å; L724-I764 HydrophobicContact CB-CB 4.49Å; L724-I764 HydrophobicContact CD1-CD1 3.97Å; L724-I764 HydrophobicContact CD2-CB 3.2Å; L724-I764 HydrophobicContact CD2-CD1 3.22Å; L724-I764 HydrophobicContact CD2-CG1 3.76Å; L724-I764 HydrophobicContact CD2-CG2 3.49Å; L724-I764 VanDerWaalsContact CD2-CG2 3.49Å; L724-I764 HydrophobicContact CG-CB 3.53Å; L724-I764 HydrophobicContact CG-CD1 3.64Å; L724-I764 HydrophobicContact CG-CG1 3.96Å; L724-I764 HydrophobicContact CG-CG2 4.37Å; L724-I764 PolarHBondContact N-O 3.06Å; L724-I764 WeakPolarHBondContact O-CA 2.98Å; L724-I764 PolarHBondContact O-N 2.64Å; A738-I764 HydrophobicContact CB-CD1 3.33Å; A738-I764 HydrophobicContact CB-CG1 4.43Å; V747-I764 HydrophobicContact CG1-CG2 3.86Å; F753-I764 HydrophobicContact CB-CG2 4.16Å; F753-I764 HydrophobicContact CD1-CG2 3.76Å; F753-I764 HydrophobicContact CG-CG2 4.32Å; I754-I764 CarbonylContact O-C 3.52Å; I754-I764 WeakPolarHBondContact O-CA 3.49Å; I755-I764 HydrophobicContact CG1-CG1 4.43Å; L762-I764 HydrophobicContact CD2-CD1 3.8Å; L762-I764 HydrophobicContact CD2-CG1 3.73Å; I764-I779 HydrophobicContact CD1-CG2 3.92Å |
| 765 | K | 87.8 | Confident | 81.4 | Confident | 71 Ų | 71 | 55.3 Ų | 55.3 | 31% | 0.309 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 133.7 | -175.8 | -64.9 | -177.7 | 177.2 | -179.3 | 0 | 109.3 | F753 I754 E756 L763 P767 | F753-K765 CarbonylContact C-O 3.41Å; F753-K765 WeakPolarHBondContact CA-O 3.15Å; I754-K765 HydrophobicContact CB-CB 4.29Å; I754-K765 PolarHBondContact N-O 2.99Å; I754-K765 WeakPolarHBondContact O-CA 3.26Å; I754-K765 PolarHBondContact O-N 3.32Å; E756-K765 IonicContact OE1-NZ 3.39Å; E756-K765 PolarHBondContact OE1-NZ 3.23Å; E756-K765 IonicContact OE2-NZ 3.23Å; E756-K765 PolarHBondContact OE2-NZ 3.06Å; L763-K765 HydrophobicContact CD2-CD 4Å; L763-K765 HydrophobicContact CD2-CG 4.11Å; L763-K765 HydrophobicContact CG-CD 4.46Å; L763-K765 HydrophobicContact CG-CG 4Å; K765-P767 VanDerWaalsContact O-CD 3.26Å; K765-P767 WeakPolarHBondContact O-CD 3.4Å |
| 766 | A | 88.5 | Confident | 81 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 80.4 | 169 | 0 | 0 | 0 | 0 | 0 | 110.3 | P721 F722 F753 N768 G769 | P721-A766 WeakPolarHBondContact CA-O 3.49Å; F722-A766 HydrophobicContact CD1-CB 3.9Å; F722-A766 HydrophobicContact CD2-CB 4.45Å; F722-A766 HydrophobicContact CE1-CB 3.48Å; F722-A766 VanDerWaalsContact CE1-CB 3.48Å; F722-A766 HydrophobicContact CE2-CB 4.09Å; F722-A766 HydrophobicContact CG-CB 4.37Å; F722-A766 HydrophobicContact CZ-CB 3.59Å; F722-A766 PolarHBondContact N-O 2.81Å; F722-A766 PolarHBondContact O-N 3.33Å; F753-A766 HydrophobicContact CD1-CB 3.87Å; F753-A766 HydrophobicContact CE1-CB 3.9Å; A766-N768 PolarHBondContact O-N 2.95Å; A766-N768 VanDerWaalsContact O-N 3.11Å; A766-G769 PolarHBondContact O-N 2.63Å |
| 767 | P | 81.7 | Confident | 80.9 | Confident | 55 Ų | 55 | 53 Ų | 53 | 36% | 0.357 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 0 | -169.5 | 11 | -13.9 | 0 | 0 | 0 | 111.7 | P721 I754 K765 G769 | P721-P767 WeakPolarHBondContact CB-O 3.28Å; P721-P767 WeakPolarHBondContact CG-O 3.34Å; I754-P767 HydrophobicContact CD1-CB 4.36Å; I754-P767 HydrophobicContact CD1-CG 3.24Å; I754-P767 HydrophobicContact CG1-CG 3.95Å; K765-P767 VanDerWaalsContact O-CD 3.26Å; K765-P767 WeakPolarHBondContact O-CD 3.4Å; P767-G769 VanDerWaalsContact C-N 3.3Å |
| 768 | N | 81.8 | Confident | 81 | Confident | 134 Ų | 134 | 48.4 Ų | 48.4 | 72% | 0.717 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 12.1 | 0 | -64.8 | -33 | 0 | 0 | 0 | 110.4 | S719 A766 | S719-N768 CarbonylContact C-O 3.48Å; S719-N768 WeakPolarHBondContact CA-O 3.46Å; A766-N768 PolarHBondContact O-N 2.95Å; A766-N768 VanDerWaalsContact O-N 3.11Å | |
| 769 | G | 84.5 | Confident | 81.5 | Confident | 7 Ų | 7 | 46.1 Ų | 46.1 | 7% | 0.072 | 26% | 0.261 | C | S | . | . | trans | 64 | 171.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E720 A766 P767 | E720-G769 WeakPolarHBondContact O-CA 3.22Å; A766-G769 PolarHBondContact O-N 2.63Å; P767-G769 VanDerWaalsContact C-N 3.3Å | ||
| 770 | L | 85.3 | Confident | 82.3 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | trans | -112.7 | 148.7 | -174.6 | -63.3 | 173.6 | 0 | 0 | 0 | 109.9 | P718 S719 F722 R752 F753 A774 I793 V795 | P718-L770 CarbonylContact C-O 3.37Å; P718-L770 WeakPolarHBondContact CA-O 3.4Å; S719-L770 PolarHBondContact N-O 2.67Å; F722-L770 HydrophobicContact CE1-CD1 3.81Å; F722-L770 HydrophobicContact CE1-CG 3.81Å; F722-L770 HydrophobicContact CZ-CD1 3.71Å; F722-L770 HydrophobicContact CZ-CG 4.12Å; R752-L770 HydrophobicContact CB-CD2 4.02Å; F753-L770 HydrophobicContact CE1-CD1 4.36Å; F753-L770 HydrophobicContact CE1-CD2 4.36Å; F753-L770 HydrophobicContact CE2-CD2 3.77Å; F753-L770 HydrophobicContact CZ-CD1 3.7Å; F753-L770 HydrophobicContact CZ-CD2 3.54Å; F753-L770 HydrophobicContact CZ-CG 4.08Å; L770-A774 HydrophobicContact CB-CB 3.93Å; L770-A774 HydrophobicContact CD1-CB 4.42Å; L770-I793 HydrophobicContact CD1-CG2 3.93Å; L770-V795 HydrophobicContact CB-CG2 3.74Å; L770-V795 HydrophobicContact CD1-CG2 4.09Å | ||
| 771 | S | 79.3 | Confident | 83.1 | Confident | 63 Ų | 63 | 39 Ų | 39 | 44% | 0.441 | 21% | 0.212 | S | C | . | . | trans | -69.3 | 154.3 | 177.1 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | E773 A774 V795 | S771-E773 PolarHBondContact O-N 2.69Å; S771-E773 VanDerWaalsContact O-N 3.11Å; S771-A774 WeakPolarHBondContact O-CB 3.28Å; S771-A774 PolarHBondContact O-N 2.63Å; S771-V795 WeakPolarHBondContact O-CG1 2.91Å | ||
| 772 | A | 68.2 | Low | 83.3 | Confident | 26 Ų | 26 | 38.9 Ų | 38.9 | 22% | 0.215 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -54.9 | -25.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111 | P718 A774 N775 P797 | P718-A772 HydrophobicContact CB-CB 4.25Å; P718-A772 HydrophobicContact CG-CB 3.8Å; A772-A774 PolarHBondContact O-N 2.5Å; A772-N775 WeakPolarHBondContact O-CB 3.26Å; A772-N775 PolarHBondContact O-N 3.15Å; A772-P797 HydrophobicContact CB-CB 3.02Å; A772-P797 HydrophobicContact CB-CG 3.09Å |
| 773 | E | 72 | Confident | 82.9 | Confident | 187 Ų | 187 | 39.2 Ų | 39.2 | 87% | 0.874 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -72.6 | -14 | -179.8 | -68.8 | 174.7 | 178.4 | 0 | 0 | 110.9 | S771 N775 | S771-E773 PolarHBondContact O-N 2.69Å; S771-E773 VanDerWaalsContact O-N 3.11Å; E773-N775 PolarHBondContact O-N 2.86Å |
| 774 | A | 76.5 | Confident | 81.8 | Confident | 12 Ų | 12 | 42.1 Ų | 42.1 | 10% | 0.099 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -93.7 | 0 | -176.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | L770 S771 A772 T777 | L770-A774 HydrophobicContact CB-CB 3.93Å; L770-A774 HydrophobicContact CD1-CB 4.42Å; S771-A774 WeakPolarHBondContact O-CB 3.28Å; S771-A774 PolarHBondContact O-N 2.63Å; A772-A774 PolarHBondContact O-N 2.5Å; A774-T777 VanDerWaalsContact C-OG1 3.24Å; A774-T777 WeakPolarHBondContact O-CB 3.48Å; A774-T777 PolarHBondContact O-N 3.34Å; A774-T777 PolarHBondContact O-OG1 0.77Å |
| 775 | N | 77 | Confident | 80.5 | Confident | 80 Ų | 80 | 47.4 Ų | 47.4 | 43% | 0.428 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 136.7 | 0 | -176.3 | 37.2 | 0 | 0 | 0 | 111.1 | A772 E773 T777 N794 V795 | A772-N775 WeakPolarHBondContact O-CB 3.26Å; A772-N775 PolarHBondContact O-N 3.15Å; E773-N775 PolarHBondContact O-N 2.86Å; N775-T777 VanDerWaalsContact C-N 3.3Å; N775-N794 WeakPolarHBondContact OD1-CA 3.25Å; N775-V795 HydrophobicContact CB-CB 4.46Å; N775-V795 VanDerWaalsContact CB-O 3.24Å; N775-V795 WeakPolarHBondContact CB-O 3.15Å; N775-V795 PolarHBondContact OD1-N 2.86Å; N775-V795 PolarHBondContact OD1-O 3.01Å | |
| 776 | D | 78.1 | Confident | 79.5 | Confident | 61 Ų | 61 | 46.8 Ų | 46.8 | 33% | 0.326 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 0 | -179.9 | -158.7 | 23.2 | 0 | 0 | 0 | 111 | R778 I793 | D776-R778 IonicContact OD1-NE 3.82Å; D776-R778 IonicContact OD1-NH2 3.44Å; D776-I793 WeakPolarHBondContact CA-O 3.24Å; D776-I793 PolarHBondContact N-O 3.13Å; D776-I793 VanDerWaalsContact N-O 3.07Å |
| 777 | T | 82.6 | Confident | 78.7 | Confident | 19 Ų | 19 | 47.3 Ų | 47.3 | 12% | 0.117 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -56.7 | 0 | 0 | 0 | 0 | 110.2 | F740 A774 N775 I793 | F740-T777 HydrophobicContact CD1-CG2 3.9Å; F740-T777 HydrophobicContact CE1-CG2 3.84Å; A774-T777 VanDerWaalsContact C-OG1 3.24Å; A774-T777 WeakPolarHBondContact O-CB 3.48Å; A774-T777 PolarHBondContact O-N 3.34Å; A774-T777 PolarHBondContact O-OG1 0.77Å; N775-T777 VanDerWaalsContact C-N 3.3Å; T777-I793 HydrophobicContact CG2-CD1 4.4Å; T777-I793 PolarHBondContact N-O 3.44Å; T777-I793 WeakPolarHBondContact O-CA 3.47Å; T777-I793 WeakPolarHBondContact O-CB 3.23Å; T777-I793 WeakPolarHBondContact O-CD1 3.28Å; T777-I793 PolarHBondContact O-N 3.48Å | |
| 778 | R | 86.9 | Confident | 78.8 | Confident | 23 Ų | 23 | 45.2 Ų | 45.2 | 9% | 0.087 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | 0 | 121.5 | 0 | -60.1 | -179.5 | 179.8 | -142.6 | 0.2 | 109.7 | Y662 V741 Y742 D776 T790 A791 | Y662-R778 PolarHBondContact OH-NH1 3.44Å; V741-R778 HydrophobicContact CB-CB 3.85Å; V741-R778 HydrophobicContact CG2-CB 3.59Å; V741-R778 PolarHBondContact N-O 3.22Å; Y742-R778 HydrophobicContact CE2-CG 4.14Å; Y742-R778 PolarHBondContact OH-NE 1.75Å; D776-R778 IonicContact OD1-NE 3.82Å; D776-R778 IonicContact OD1-NH2 3.44Å; R778-T790 HydrophobicContact CB-CG2 4.06Å; R778-A791 WeakPolarHBondContact CA-O 3.28Å | |
| 779 | I | 89.2 | Confident | 79 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 0 | 179.4 | -67.2 | 177 | 0 | 0 | 0 | 108.3 | L724 A738 F740 V747 F753 I764 T790 A791 I793 | L724-I779 HydrophobicContact CD2-CB 4.3Å; L724-I779 HydrophobicContact CD2-CD1 3.59Å; L724-I779 HydrophobicContact CD2-CG2 3.99Å; A738-I779 HydrophobicContact CB-CG2 4.14Å; F740-I779 HydrophobicContact CD1-CG1 4.05Å; F740-I779 HydrophobicContact CE1-CD1 4.25Å; F740-I779 HydrophobicContact CE1-CG1 3.96Å; V747-I779 HydrophobicContact CG1-CD1 4.49Å; V747-I779 HydrophobicContact CG2-CD1 4.43Å; V747-I779 HydrophobicContact CG2-CG1 4.27Å; V747-I779 HydrophobicContact CG2-CG2 3.69Å; F753-I779 HydrophobicContact CD1-CD1 4.37Å; F753-I779 HydrophobicContact CE1-CD1 3.85Å; F753-I779 HydrophobicContact CZ-CD1 4.13Å; I764-I779 HydrophobicContact CD1-CG2 3.92Å; I779-T790 CarbonylContact O-C 3.49Å; I779-T790 WeakPolarHBondContact O-CA 3.24Å; I779-A791 PolarHBondContact N-O 1.36Å; I779-A791 PolarHBondContact O-N 3.08Å; I779-I793 HydrophobicContact CB-CD1 4.26Å; I779-I793 HydrophobicContact CD1-CD1 3.81Å; I779-I793 HydrophobicContact CG1-CD1 3.75Å |
| 780 | E | 87.3 | Confident | 78.9 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.009 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | 65.3 | -179.2 | -178.3 | 0 | 0 | 111.3 | R646 A738 R739 V741 Y782 P788 R789 | R646-E780 IonicContact NH2-OE2 2.09Å; R646-E780 PolarHBondContact NH2-OE2 2.72Å; A738-E780 VanDerWaalsContact CA-O 3.26Å; A738-E780 WeakPolarHBondContact CA-O 3.33Å; R739-E780 HydrophobicContact CB-CG 4.39Å; R739-E780 VanDerWaalsContact CD-CD 3.49Å; R739-E780 WeakPolarHBondContact CD-OE1 2.5Å; R739-E780 HydrophobicContact CG-CG 3.1Å; R739-E780 WeakPolarHBondContact CG-OE1 2.52Å; R739-E780 VanDerWaalsContact CZ-CD 3.43Å; R739-E780 IonicContact CZ-OE1 3.68Å; R739-E780 IonicContact CZ-OE2 3.38Å; R739-E780 PolarHBondContact N-O 2.63Å; R739-E780 VanDerWaalsContact N-O 3.08Å; R739-E780 CovalentContact NE-OE1 1.36Å; R739-E780 IonicContact NE-OE1 3.7Å; R739-E780 PolarHBondContact NE-OE1 3.37Å; R739-E780 IonicContact NE-OE2 3.29Å; R739-E780 PolarHBondContact NE-OE2 3.31Å; R739-E780 IonicContact NH1-OE1 3.28Å; R739-E780 IonicContact NH2-OE1 3.57Å; R739-E780 PolarHBondContact NH2-OE1 3.34Å; R739-E780 IonicContact NH2-OE2 3.7Å; R739-E780 WeakPolarHBondContact O-CG 1.5Å; R739-E780 PolarHBondContact O-N 2.37Å; V741-E780 HydrophobicContact CG2-CB 4.06Å; V741-E780 HydrophobicContact CG2-CG 4.43Å; E780-Y782 HydrophobicContact CG-CD1 4.38Å; E780-P788 HydrophobicContact CB-CB 4.12Å; E780-R789 CarbonylContact C-O 3.46Å; E780-R789 WeakPolarHBondContact CA-O 3.5Å | |
| 781 | C | 88.7 | Confident | 78.9 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | 0 | 128.2 | 0 | -64.4 | 0 | 0 | 0 | 0 | 110 | L707 V709 C726 H737 P788 R789 | L707-C781 VanDerWaalsContact CD2-C 3.43Å; L707-C781 HydrophobicContact CD2-CB 4.09Å; L707-C781 WeakPolarHBondContact CD2-O 3.45Å; L707-C781 HydrophobicContact CG-CB 4.48Å; V709-C781 HydrophobicContact CG2-CB 3.42Å; V709-C781 VanDerWaalsContact CG2-CB 3.42Å; V709-C781 WeakPolarHBondContact CG2-SG 2.98Å; C726-C781 HydrophobicContact CB-CB 3.79Å; C726-C781 WeakPolarHBondContact CB-SG 3.29Å; C726-C781 WeakPolarHBondContact SG-CB 3.24Å; C726-C781 CovalentContact SG-SG 1.74Å; C726-C781 PolarHBondContact SG-SG 2.86Å; H737-C781 CarbonylContact O-C 3.42Å; H737-C781 VanDerWaalsContact O-CA 3.29Å; H737-C781 WeakPolarHBondContact O-CA 2.71Å; C781-P788 CarbonylContact O-C 3.52Å; C781-P788 VanDerWaalsContact O-CA 3.25Å; C781-P788 WeakPolarHBondContact O-CA 3.46Å; C781-R789 PolarHBondContact N-O 2.63Å; C781-R789 PolarHBondContact O-N 2.83Å | |
| 782 | Y | 86.1 | Confident | 79.1 | Confident | 41 Ų | 41 | 37.6 Ų | 37.6 | 16% | 0.161 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 0 | -176.2 | 67.2 | -81 | 0 | 0 | 0 | 109.2 | H737 R739 E780 | H737-Y782 HydrophobicContact CB-CD1 4.28Å; H737-Y782 HydrophobicContact CB-CE1 3.76Å; H737-Y782 HydrophobicContact CB-CE2 4.18Å; H737-Y782 PolarHBondContact N-O 2.88Å; H737-Y782 PolarHBondContact O-N 3.14Å; R739-Y782 HydrophobicContact CB-CE1 4.1Å; R739-Y782 HydrophobicContact CG-CD1 4.24Å; R739-Y782 HydrophobicContact CG-CE1 3.8Å; E780-Y782 HydrophobicContact CG-CD1 4.38Å |
| 783 | F | 79.5 | Confident | 80 | Confident | 7 Ų | 7 | 36.3 Ų | 36.3 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | 0 | 0 | 0 | -66.2 | -59.3 | 0 | 0 | 0 | 109.7 | L707 R734 P736 D785 E786 | L707-F783 HydrophobicContact CB-CD2 4.48Å; L707-F783 HydrophobicContact CB-CE2 4.01Å; L707-F783 HydrophobicContact CD1-CE2 3.8Å; L707-F783 HydrophobicContact CD1-CZ 3.89Å; L707-F783 HydrophobicContact CD2-CD2 4.45Å; L707-F783 HydrophobicContact CD2-CE2 4.47Å; L707-F783 HydrophobicContact CG-CE2 4.32Å; R734-F783 HydrophobicContact CB-CD1 4.2Å; R734-F783 HydrophobicContact CB-CE1 4.05Å; R734-F783 VanDerWaalsContact O-CE1 3.28Å; R734-F783 WeakPolarHBondContact O-CE1 2.4Å; P736-F783 VanDerWaalsContact CA-CE1 3.41Å; P736-F783 HydrophobicContact CB-CE1 3.83Å; P736-F783 HydrophobicContact CB-CZ 4.15Å; P736-F783 HydrophobicContact CG-CE1 4.35Å; P736-F783 VanDerWaalsContact N-CE1 3.31Å; F783-D785 PolarHBondContact O-N 3Å; F783-E786 HydrophobicContact CB-CB 3.98Å; F783-E786 HydrophobicContact CB-CG 4.24Å; F783-E786 HydrophobicContact CD2-CB 4.28Å; F783-E786 HydrophobicContact CD2-CG 4.39Å; F783-E786 WeakPolarHBondContact CD2-OE2 2.45Å; F783-E786 PolarHBondContact O-N 3.24Å | |||
| 784 | P | 65.2 | Low | 80.1 | Confident | 96 Ų | 96 | 29 Ų | 29 | 62% | 0.623 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -18.2 | 22.3 | 0 | 0 | 0 | 111.8 | |||
| 785 | D | 63.3 | Low | 80.1 | Confident | 110 Ų | 110 | 28.5 Ų | 28.5 | 59% | 0.588 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -66.8 | -29.4 | 0 | 0 | 0 | 109.9 | N610 R734 F783 | N610-D785 WeakPolarHBondContact CB-O 2.92Å; N610-D785 PolarHBondContact ND2-O 2.74Å; R734-D785 IonicContact NH1-OD2 3.1Å; F783-D785 PolarHBondContact O-N 3Å | |
| 786 | E | 66.8 | Low | 79.2 | Confident | 59 Ų | 59 | 28.5 Ų | 28.5 | 28% | 0.276 | 15% | 0.154 | S | C | . | . | S | Bend | 0 | 0 | 0 | -71.4 | -174.9 | -176.7 | 0 | 0 | 109.6 | N610 R734 F783 | N610-E786 WeakPolarHBondContact ND2-CA 3.39Å; R734-E786 IonicContact NH2-OE1 3.42Å; R734-E786 PolarHBondContact NH2-OE1 2.68Å; F783-E786 HydrophobicContact CB-CB 3.98Å; F783-E786 HydrophobicContact CB-CG 4.24Å; F783-E786 HydrophobicContact CD2-CB 4.28Å; F783-E786 HydrophobicContact CD2-CG 4.39Å; F783-E786 WeakPolarHBondContact CD2-OE2 2.45Å; F783-E786 PolarHBondContact O-N 3.24Å | |
| 787 | S | 72.7 | Confident | 78 | Confident | 11 Ų | 11 | 27 Ų | 27 | 8% | 0.077 | 15% | 0.148 | C | C | . | . | 0 | 136.2 | 0 | -71.4 | 0 | 0 | 0 | 0 | 110.8 | F608 G609 | F608-S787 WeakPolarHBondContact CB-OG 3.12Å; G609-S787 PolarHBondContact N-OG 1.74Å | |||
| 788 | P | 83.8 | Confident | 76.1 | Confident | 10 Ų | 10 | 30.2 Ų | 30.2 | 7% | 0.065 | 16% | 0.164 | C | C | . | . | trans | -76.9 | 0 | -172 | 27 | -30 | 0 | 0 | 0 | 112.2 | E780 C781 | E780-P788 HydrophobicContact CB-CB 4.12Å; C781-P788 CarbonylContact O-C 3.52Å; C781-P788 VanDerWaalsContact O-CA 3.25Å; C781-P788 WeakPolarHBondContact O-CA 3.46Å | ||
| 789 | R | 85.7 | Confident | 74.5 | Confident | 13 Ų | 13 | 38.5 Ų | 38.5 | 5% | 0.049 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -61.4 | -68.8 | -175.2 | -104.1 | 1.5 | 110.6 | V641 L707 V709 E780 C781 | V641-R789 WeakPolarHBondContact O-CD 3.12Å; L707-R789 HydrophobicContact CB-CG 4.42Å; L707-R789 HydrophobicContact CD2-CG 4.4Å; L707-R789 HydrophobicContact CG-CG 4.32Å; L707-R789 VanDerWaalsContact O-CG 3.27Å; L707-R789 WeakPolarHBondContact O-CG 2.11Å; V709-R789 HydrophobicContact CB-CB 4.41Å; V709-R789 HydrophobicContact CG2-CB 3.51Å; E780-R789 CarbonylContact C-O 3.46Å; E780-R789 WeakPolarHBondContact CA-O 3.5Å; C781-R789 PolarHBondContact N-O 2.63Å; C781-R789 PolarHBondContact O-N 2.83Å | |
| 790 | T | 83.2 | Confident | 72.7 | Confident | 4 Ų | 4 | 39 Ų | 39 | 3% | 0.025 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | 0 | 136.6 | 0 | -56.1 | 0 | 0 | 0 | 0 | 109.3 | N643 G644 V741 R778 I779 | N643-T790 PolarHBondContact ND2-O 2.59Å; N643-T790 PolarHBondContact O-N 2.74Å; G644-T790 WeakPolarHBondContact CA-OG1 2.57Å; V741-T790 HydrophobicContact CG2-CG2 4.01Å; R778-T790 HydrophobicContact CB-CG2 4.06Å; I779-T790 CarbonylContact O-C 3.49Å; I779-T790 WeakPolarHBondContact O-CA 3.24Å | |
| 791 | A | 85.3 | Confident | 70.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 135.4 | 169 | 0 | 0 | 0 | 0 | 0 | 110.4 | V709 T712 L724 R778 I779 | V709-A791 HydrophobicContact CG1-CB 3.39Å; T712-A791 CarbonylContact O-C 3.43Å; T712-A791 VanDerWaalsContact O-CA 3.22Å; T712-A791 WeakPolarHBondContact O-CA 3.26Å; L724-A791 HydrophobicContact CD1-CB 4.35Å; R778-A791 WeakPolarHBondContact CA-O 3.28Å; I779-A791 PolarHBondContact N-O 1.36Å; I779-A791 PolarHBondContact O-N 3.08Å |
| 792 | I | 83.5 | Confident | 68.2 | Low | 28 Ų | 28 | 47.6 Ų | 47.6 | 14% | 0.144 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 0 | -179.3 | -59.6 | 171.6 | 0 | 0 | 0 | 108.9 | Y662 T712 R713 I714 N794 | Y662-I792 HydrophobicContact CD1-CD1 4.47Å; T712-I792 PolarHBondContact O-N 1.99Å; R713-I792 WeakPolarHBondContact CA-O 2.38Å; I714-I792 PolarHBondContact N-O 3.43Å; I792-N794 VanDerWaalsContact CG2-OD1 3.23Å; I792-N794 WeakPolarHBondContact CG2-OD1 3.09Å |
| 793 | I | 85.7 | Confident | 66.6 | Low | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 111 | 0 | -60.4 | 101.8 | 0 | 0 | 0 | 108 | I714 V716 F722 L770 D776 T777 I779 V795 | I714-I793 HydrophobicContact CB-CG1 4.39Å; I714-I793 HydrophobicContact CD1-CG1 4.49Å; I714-I793 CarbonylContact O-C 3.4Å; I714-I793 WeakPolarHBondContact O-CA 2.6Å; V716-I793 HydrophobicContact CG2-CG2 4.35Å; F722-I793 HydrophobicContact CE1-CG2 4.17Å; F722-I793 HydrophobicContact CE2-CG1 4.18Å; F722-I793 HydrophobicContact CE2-CG2 4.43Å; F722-I793 HydrophobicContact CZ-CG1 4.32Å; F722-I793 HydrophobicContact CZ-CG2 3.93Å; L770-I793 HydrophobicContact CD1-CG2 3.93Å; D776-I793 WeakPolarHBondContact CA-O 3.24Å; D776-I793 PolarHBondContact N-O 3.13Å; D776-I793 VanDerWaalsContact N-O 3.07Å; T777-I793 HydrophobicContact CG2-CD1 4.4Å; T777-I793 PolarHBondContact N-O 3.44Å; T777-I793 WeakPolarHBondContact O-CA 3.47Å; T777-I793 WeakPolarHBondContact O-CB 3.23Å; T777-I793 WeakPolarHBondContact O-CD1 3.28Å; T777-I793 PolarHBondContact O-N 3.48Å; I779-I793 HydrophobicContact CB-CD1 4.26Å; I779-I793 HydrophobicContact CD1-CD1 3.81Å; I779-I793 HydrophobicContact CG1-CD1 3.75Å; I793-V795 HydrophobicContact CG2-CG2 4.08Å | |
| 794 | N | 75.4 | Confident | 66.1 | Low | 34 Ų | 34 | 51.9 Ų | 51.9 | 18% | 0.182 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 0 | 176 | -67.6 | 7.6 | 0 | 0 | 0 | 111 | I714 V715 V716 N775 I792 V796 | I714-N794 PolarHBondContact O-N 2.64Å; V715-N794 WeakPolarHBondContact CA-O 2.85Å; V715-N794 HydrophobicContact CG2-CB 4.35Å; V716-N794 PolarHBondContact N-O 2.65Å; N775-N794 WeakPolarHBondContact OD1-CA 3.25Å; I792-N794 VanDerWaalsContact CG2-OD1 3.23Å; I792-N794 WeakPolarHBondContact CG2-OD1 3.09Å; N794-V796 HydrophobicContact CB-CG2 4.23Å |
| 795 | V | 76.5 | Confident | 65.9 | Low | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 82.8 | 0 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | V716 P718 L770 S771 N775 I793 P797 | V716-V795 HydrophobicContact CG2-CG2 4.48Å; V716-V795 WeakPolarHBondContact O-CA 3.46Å; P718-V795 HydrophobicContact CB-CG1 4.2Å; P718-V795 HydrophobicContact CG-CG1 4.18Å; L770-V795 HydrophobicContact CB-CG2 3.74Å; L770-V795 HydrophobicContact CD1-CG2 4.09Å; S771-V795 WeakPolarHBondContact O-CG1 2.91Å; N775-V795 HydrophobicContact CB-CB 4.46Å; N775-V795 VanDerWaalsContact CB-O 3.24Å; N775-V795 WeakPolarHBondContact CB-O 3.15Å; N775-V795 PolarHBondContact OD1-N 2.86Å; N775-V795 PolarHBondContact OD1-O 3.01Å; I793-V795 HydrophobicContact CG2-CG2 4.08Å; V795-P797 VanDerWaalsContact C-CD 3.5Å; V795-P797 WeakPolarHBondContact O-CD 3.34Å | |
| 796 | V | 57.1 | Low | 66.1 | Low | 80 Ų | 80 | 48.2 Ų | 48.2 | 49% | 0.485 | 25% | 0.253 | S | S | . | . | trans | -82.1 | 0 | -174.7 | -172.3 | 0 | 0 | 0 | 0 | 108.9 | V716 P718 N794 | V716-V796 PolarHBondContact O-N 2.87Å; P718-V796 WeakPolarHBondContact CD-O 3.4Å; N794-V796 HydrophobicContact CB-CG2 4.23Å | ||
| 797 | P | 53.7 | Low | 66.3 | Low | 29 Ų | 29 | 45.4 Ų | 45.4 | 19% | 0.188 | 24% | 0.241 | C | C | . | . | 0 | 0 | 0 | 6.7 | -4.1 | 0 | 0 | 0 | 112.1 | P718 A772 V795 R799 | P718-P797 HydrophobicContact CG-CB 4.16Å; A772-P797 HydrophobicContact CB-CB 3.02Å; A772-P797 HydrophobicContact CB-CG 3.09Å; V795-P797 VanDerWaalsContact C-CD 3.5Å; V795-P797 WeakPolarHBondContact O-CD 3.34Å; P797-R799 PolarHBondContact O-N 3.17Å | |||
| 798 | D | 42.4 | Very low | 66 | Low | 87 Ų | 87 | 51.6 Ų | 51.6 | 47% | 0.465 | 26% | 0.263 | S | S | . | . | 0 | 77.3 | 0 | -154.2 | 7.2 | 0 | 0 | 0 | 111.2 | G801 L802 | D798-G801 WeakPolarHBondContact OD2-CA 3.29Å; D798-L802 VanDerWaalsContact OD2-CA 3.27Å; D798-L802 WeakPolarHBondContact OD2-CA 3.14Å; D798-L802 PolarHBondContact OD2-N 2.84Å | |||
| 799 | R | 54 | Low | 64.5 | Low | 198 Ų | 198 | 54.7 Ų | 54.7 | 75% | 0.747 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -66 | 0 | 172.6 | -98 | -161.5 | -91.4 | -106.9 | -0 | 110.3 | P797 C812 | P797-R799 PolarHBondContact O-N 3.17Å; R799-C812 PolarHBondContact O-SG 2.71Å |
| 800 | C | 51.1 | Low | 63.2 | Low | 10 Ų | 10 | 56.7 Ų | 56.7 | 7% | 0.068 | 30% | 0.304 | C | S | . | . | S | Bend | 0 | 0 | 0 | -79.6 | 0 | 0 | 0 | 0 | 109.5 | L802 Y804 C812 | C800-L802 PolarHBondContact O-N 2.91Å; C800-Y804 HydrophobicContact CB-CG 4.35Å; C800-Y804 WeakPolarHBondContact CB-O 3.25Å; C800-C812 HydrophobicContact CB-CB 3.38Å; C800-C812 WeakPolarHBondContact CB-SG 3.39Å; C800-C812 WeakPolarHBondContact SG-CA 3.09Å; C800-C812 CovalentContact SG-CB 1.96Å; C800-C812 WeakPolarHBondContact SG-CB 3.43Å; C800-C812 CovalentContact SG-SG 1.61Å; C800-C812 PolarHBondContact SG-SG 3.11Å | |
| 801 | G | 42 | Very low | 62.3 | Low | 43 Ų | 43 | 58.5 Ų | 58.5 | 44% | 0.443 | 32% | 0.317 | S | S | . | . | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 112.3 | D798 G803 Y804 | D798-G801 WeakPolarHBondContact OD2-CA 3.29Å; G801-G803 VanDerWaalsContact C-N 3.33Å; G801-G803 PolarHBondContact O-N 2.96Å; G801-Y804 WeakPolarHBondContact O-CB 3.21Å; G801-Y804 VanDerWaalsContact O-CD2 3.26Å; G801-Y804 WeakPolarHBondContact O-CD2 3.47Å; G801-Y804 PolarHBondContact O-N 2.95Å | |||
| 802 | L | 39.8 | Very low | 61.7 | Low | 140 Ų | 140 | 61.4 Ų | 61.4 | 73% | 0.733 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 95.4 | 0 | -74.7 | 174.9 | 0 | 0 | 0 | 111.3 | D798 C800 | D798-L802 VanDerWaalsContact OD2-CA 3.27Å; D798-L802 WeakPolarHBondContact OD2-CA 3.14Å; D798-L802 PolarHBondContact OD2-N 2.84Å; C800-L802 PolarHBondContact O-N 2.91Å | |
| 803 | G | 51.4 | Low | 60.9 | Low | 34 Ų | 34 | 60.8 Ų | 60.8 | 35% | 0.351 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 129.4 | 0 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | G801 Q814 Q815 | G801-G803 VanDerWaalsContact C-N 3.33Å; G801-G803 PolarHBondContact O-N 2.96Å; G803-Q814 CarbonylContact O-C 3.58Å; G803-Q814 WeakPolarHBondContact O-CA 3.4Å; G803-Q814 WeakPolarHBondContact O-CB 3.32Å; G803-Q814 VanDerWaalsContact O-CG 3.3Å; G803-Q814 WeakPolarHBondContact O-CG 3.45Å; G803-Q815 PolarHBondContact O-N 3.17Å |
| 804 | Y | 69.2 | Low | 59.9 | Low | 104 Ų | 104 | 64.7 Ų | 64.7 | 41% | 0.408 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 126.3 | 0 | -71.3 | -94.4 | 0 | 0 | 0 | 109.4 | C800 G801 I813 Q814 | C800-Y804 HydrophobicContact CB-CG 4.35Å; C800-Y804 WeakPolarHBondContact CB-O 3.25Å; G801-Y804 WeakPolarHBondContact O-CB 3.21Å; G801-Y804 VanDerWaalsContact O-CD2 3.26Å; G801-Y804 WeakPolarHBondContact O-CD2 3.47Å; G801-Y804 PolarHBondContact O-N 2.95Å; Y804-I813 CarbonylContact C-O 3.6Å; Y804-I813 WeakPolarHBondContact CA-O 3.23Å; Y804-I813 VanDerWaalsContact CB-O 3.22Å; Y804-I813 WeakPolarHBondContact CB-O 3.48Å; Y804-Q814 HydrophobicContact CD1-CB 4.07Å; Y804-Q814 HydrophobicContact CD1-CG 3.57Å; Y804-Q814 HydrophobicContact CD2-CG 4.3Å; Y804-Q814 HydrophobicContact CE1-CB 4.08Å; Y804-Q814 HydrophobicContact CE1-CG 3.19Å; Y804-Q814 HydrophobicContact CE2-CG 4Å; Y804-Q814 HydrophobicContact CG-CG 4.11Å; Y804-Q814 VanDerWaalsContact CZ-CG 3.42Å; Y804-Q814 PolarHBondContact OH-NE2 2.92Å | |
| 805 | F | 61.8 | Low | 59.2 | Low | 23 Ų | 23 | 68 Ų | 68 | 10% | 0.101 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 121.9 | 176.5 | 170.8 | -102.8 | 0 | 0 | 0 | 110.6 | C812 I813 R818 D830 | F805-C812 CarbonylContact O-C 2.94Å; F805-C812 WeakPolarHBondContact O-CA 3.14Å; F805-I813 CarbonylContact C-O 3.53Å; F805-I813 WeakPolarHBondContact CA-O 3.32Å; F805-I813 HydrophobicContact CB-CD1 4.16Å; F805-I813 HydrophobicContact CB-CG1 3.62Å; F805-I813 HydrophobicContact CD1-CD1 3.23Å; F805-I813 HydrophobicContact CD1-CG1 3.38Å; F805-I813 HydrophobicContact CE1-CD1 4.03Å; F805-I813 HydrophobicContact CE1-CG1 4.49Å; F805-I813 HydrophobicContact CG-CD1 4.12Å; F805-I813 HydrophobicContact CG-CG1 3.98Å; F805-I813 PolarHBondContact N-O 2.74Å; F805-I813 WeakPolarHBondContact O-CG1 3.18Å; F805-I813 PolarHBondContact O-N 2.73Å; F805-I813 VanDerWaalsContact O-O 3.07Å; F805-R818 HydrophobicContact CB-CB 4.23Å; F805-R818 HydrophobicContact CB-CG 4.32Å; F805-R818 HydrophobicContact CD1-CB 4.36Å; F805-R818 HydrophobicContact CD1-CG 3.76Å; F805-R818 HydrophobicContact CD2-CB 4.24Å; F805-R818 VanDerWaalsContact CD2-CD 3.41Å; F805-R818 HydrophobicContact CD2-CG 3.47Å; F805-R818 VanDerWaalsContact CD2-CG 3.47Å; F805-R818 HydrophobicContact CE1-CG 3.82Å; F805-R818 HydrophobicContact CE2-CG 3.55Å; F805-R818 HydrophobicContact CG-CB 4.04Å; F805-R818 HydrophobicContact CG-CG 3.58Å; F805-R818 HydrophobicContact CZ-CG 3.72Å; F805-D830 HydrophobicContact CD1-CB 4.25Å; F805-D830 HydrophobicContact CE1-CB 3.96Å |
| 806 | M | 68.1 | Low | 58.8 | Low | 105 Ų | 105 | 72.1 Ų | 72.1 | 52% | 0.517 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 115.1 | 177.5 | -175 | 170.1 | 67.3 | 0 | 0 | 110 | S811 | M806-S811 CarbonylContact C-O 3.33Å; M806-S811 WeakPolarHBondContact CA-O 2.89Å |
| 807 | C | 69.2 | Low | 59.4 | Low | 1 Ų | 1 | 71.3 Ų | 71.3 | 1% | 0.007 | 39% | 0.385 | C | S | . | . | trans | -67.5 | 136.2 | 171.9 | -67.7 | 0 | 0 | 0 | 0 | 111.1 | D809 G810 S811 C825 | C807-D809 PolarHBondContact O-N 2.95Å; C807-G810 PolarHBondContact O-N 2.91Å; C807-S811 VanDerWaalsContact CB-O 3.31Å; C807-S811 WeakPolarHBondContact CB-O 2.86Å; C807-S811 WeakPolarHBondContact CB-OG 3.42Å; C807-S811 PolarHBondContact N-O 3.41Å; C807-C825 WeakPolarHBondContact CA-SG 3.47Å; C807-C825 HydrophobicContact CB-CB 3.54Å; C807-C825 WeakPolarHBondContact CB-SG 2.88Å; C807-C825 WeakPolarHBondContact SG-CA 3.11Å; C807-C825 WeakPolarHBondContact SG-CB 3.39Å; C807-C825 CovalentContact SG-SG 1.41Å; C807-C825 PolarHBondContact SG-SG 3.33Å | ||
| 808 | Y | 68.2 | Low | 59.7 | Low | 141 Ų | 141 | 72.6 Ų | 72.6 | 55% | 0.553 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -14.9 | -175.8 | -73.6 | -42 | 0 | 0 | 0 | 111.2 | G810 D827 S829 I832 | Y808-G810 PolarHBondContact O-N 2.73Å; Y808-D827 VanDerWaalsContact CB-OD2 3.26Å; Y808-D827 WeakPolarHBondContact CB-OD2 3.5Å; Y808-S829 WeakPolarHBondContact CB-OG 3.37Å; Y808-S829 WeakPolarHBondContact CD2-OG 3.47Å; Y808-S829 PolarHBondContact N-OG 3.21Å; Y808-I832 HydrophobicContact CD2-CD1 4.45Å; Y808-I832 HydrophobicContact CE2-CD1 4.35Å; Y808-I832 HydrophobicContact CE2-CG1 4.47Å |
| 809 | D | 51.2 | Low | 61 | Low | 74 Ų | 74 | 70.7 Ų | 70.7 | 40% | 0.396 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 21.7 | 172.8 | 95.5 | 2.2 | 0 | 0 | 0 | 110.7 | C807 S811 D827 | C807-D809 PolarHBondContact O-N 2.95Å; D809-S811 PolarHBondContact OD1-N 2.98Å; D809-S811 PolarHBondContact OD1-OG 3.2Å; D809-S811 VanDerWaalsContact OD1-OG 3.08Å; D809-D827 HydrophobicContact CB-CB 4.21Å |
| 810 | G | 58.1 | Low | 61.5 | Low | 55 Ų | 55 | 64.3 Ų | 64.3 | 57% | 0.567 | 36% | 0.36 | S | S | * | . | S | Bend | trans | 84.3 | 0 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | C807 Y808 | C807-G810 PolarHBondContact O-N 2.91Å; Y808-G810 PolarHBondContact O-N 2.73Å |
| 811 | S | 65.4 | Low | 62.1 | Low | 43 Ų | 43 | 66.8 Ų | 66.8 | 30% | 0.301 | 39% | 0.388 | S | S | . | . | 0 | 148.6 | 0 | 52.8 | 0 | 0 | 0 | 0 | 110.2 | M806 C807 D809 | M806-S811 CarbonylContact C-O 3.33Å; M806-S811 WeakPolarHBondContact CA-O 2.89Å; C807-S811 VanDerWaalsContact CB-O 3.31Å; C807-S811 WeakPolarHBondContact CB-O 2.86Å; C807-S811 WeakPolarHBondContact CB-OG 3.42Å; C807-S811 PolarHBondContact N-O 3.41Å; D809-S811 PolarHBondContact OD1-N 2.98Å; D809-S811 PolarHBondContact OD1-OG 3.2Å; D809-S811 VanDerWaalsContact OD1-OG 3.08Å | |||
| 812 | C | 70.9 | Confident | 62.8 | Low | 61 Ų | 61 | 71 Ų | 71 | 41% | 0.412 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 0 | -170.9 | -65.9 | 0 | 0 | 0 | 0 | 109.7 | R799 C800 F805 | R799-C812 PolarHBondContact O-SG 2.71Å; C800-C812 HydrophobicContact CB-CB 3.38Å; C800-C812 WeakPolarHBondContact CB-SG 3.39Å; C800-C812 WeakPolarHBondContact SG-CA 3.09Å; C800-C812 CovalentContact SG-CB 1.96Å; C800-C812 WeakPolarHBondContact SG-CB 3.43Å; C800-C812 CovalentContact SG-SG 1.61Å; C800-C812 PolarHBondContact SG-SG 3.11Å; F805-C812 CarbonylContact O-C 2.94Å; F805-C812 WeakPolarHBondContact O-CA 3.14Å |
| 813 | I | 67.7 | Low | 64 | Low | 14 Ų | 14 | 69.1 Ų | 69.1 | 7% | 0.072 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 148.8 | 0 | 57 | 169.3 | 0 | 0 | 0 | 109.3 | Y804 F805 Q817 Q824 C825 D830 | Y804-I813 CarbonylContact C-O 3.6Å; Y804-I813 WeakPolarHBondContact CA-O 3.23Å; Y804-I813 VanDerWaalsContact CB-O 3.22Å; Y804-I813 WeakPolarHBondContact CB-O 3.48Å; F805-I813 CarbonylContact C-O 3.53Å; F805-I813 WeakPolarHBondContact CA-O 3.32Å; F805-I813 HydrophobicContact CB-CD1 4.16Å; F805-I813 HydrophobicContact CB-CG1 3.62Å; F805-I813 HydrophobicContact CD1-CD1 3.23Å; F805-I813 HydrophobicContact CD1-CG1 3.38Å; F805-I813 HydrophobicContact CE1-CD1 4.03Å; F805-I813 HydrophobicContact CE1-CG1 4.49Å; F805-I813 HydrophobicContact CG-CD1 4.12Å; F805-I813 HydrophobicContact CG-CG1 3.98Å; F805-I813 PolarHBondContact N-O 2.74Å; F805-I813 WeakPolarHBondContact O-CG1 3.18Å; F805-I813 PolarHBondContact O-N 2.73Å; F805-I813 VanDerWaalsContact O-O 3.07Å; I813-Q817 HydrophobicContact CB-CB 4Å; I813-Q817 HydrophobicContact CD1-CB 3.96Å; I813-Q817 HydrophobicContact CG1-CB 4.33Å; I813-Q824 HydrophobicContact CG2-CB 4.15Å; I813-C825 WeakPolarHBondContact CD1-SG 3.17Å; I813-D830 HydrophobicContact CD1-CB 3.26Å | |
| 814 | Q | 64.2 | Low | 64.5 | Low | 82 Ų | 82 | 69.9 Ų | 69.9 | 38% | 0.383 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 0 | -180 | -106 | -168.6 | -3.5 | 0 | 0 | 111 | G803 Y804 S816 Q817 | G803-Q814 CarbonylContact O-C 3.58Å; G803-Q814 WeakPolarHBondContact O-CA 3.4Å; G803-Q814 WeakPolarHBondContact O-CB 3.32Å; G803-Q814 VanDerWaalsContact O-CG 3.3Å; G803-Q814 WeakPolarHBondContact O-CG 3.45Å; Y804-Q814 HydrophobicContact CD1-CB 4.07Å; Y804-Q814 HydrophobicContact CD1-CG 3.57Å; Y804-Q814 HydrophobicContact CD2-CG 4.3Å; Y804-Q814 HydrophobicContact CE1-CB 4.08Å; Y804-Q814 HydrophobicContact CE1-CG 3.19Å; Y804-Q814 HydrophobicContact CE2-CG 4Å; Y804-Q814 HydrophobicContact CG-CG 4.11Å; Y804-Q814 VanDerWaalsContact CZ-CG 3.42Å; Y804-Q814 PolarHBondContact OH-NE2 2.92Å; Q814-S816 CarbonylContact O-C 2.87Å; Q814-S816 PolarHBondContact O-N 2.73Å; Q814-Q817 HydrophobicContact CB-CG 4.14Å; Q814-Q817 WeakPolarHBondContact O-CA 3.44Å; Q814-Q817 WeakPolarHBondContact O-CB 3.28Å; Q814-Q817 PolarHBondContact O-N 2.74Å |
| 815 | Q | 62.1 | Low | 64.6 | Low | 105 Ų | 105 | 65 Ų | 65 | 49% | 0.491 | 37% | 0.365 | S | S | . | . | G | 310 helix | 0 | 0 | 0 | -165.3 | 80.9 | 17.3 | 0 | 0 | 111.6 | G803 Q817 R818 | G803-Q815 PolarHBondContact O-N 3.17Å; Q815-Q817 PolarHBondContact O-N 3.37Å; Q815-R818 PolarHBondContact O-N 2.62Å | |
| 816 | S | 66.5 | Low | 64.9 | Low | 85 Ų | 85 | 69 Ų | 69 | 59% | 0.594 | 39% | 0.394 | S | S | * | . | G | 310 helix | 0 | -5.9 | 0 | 57.4 | 0 | 0 | 0 | 0 | 111.3 | Q814 | Q814-S816 CarbonylContact O-C 2.87Å; Q814-S816 PolarHBondContact O-N 2.73Å | |
| 817 | Q | 69.7 | Low | 64.4 | Low | 63 Ų | 63 | 66.1 Ų | 66.1 | 29% | 0.294 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -105.5 | 7.7 | -174.5 | -69.3 | 179.6 | -17.2 | 0 | 0 | 109.5 | I813 Q814 Q815 Q824 | I813-Q817 HydrophobicContact CB-CB 4Å; I813-Q817 HydrophobicContact CD1-CB 3.96Å; I813-Q817 HydrophobicContact CG1-CB 4.33Å; Q814-Q817 HydrophobicContact CB-CG 4.14Å; Q814-Q817 WeakPolarHBondContact O-CA 3.44Å; Q814-Q817 WeakPolarHBondContact O-CB 3.28Å; Q814-Q817 PolarHBondContact O-N 2.74Å; Q815-Q817 PolarHBondContact O-N 3.37Å; Q817-Q824 HydrophobicContact CB-CB 4.47Å; Q817-Q824 HydrophobicContact CB-CG 4.37Å; Q817-Q824 PolarHBondContact O-OE1 2.93Å |
| 818 | R | 61.1 | Low | 64.2 | Low | 56 Ų | 56 | 66.8 Ų | 66.8 | 21% | 0.211 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 118.4 | 169.5 | -146.7 | -150.6 | -169.2 | -105.7 | 1.3 | 109.8 | F805 Q815 D820 | F805-R818 HydrophobicContact CB-CB 4.23Å; F805-R818 HydrophobicContact CB-CG 4.32Å; F805-R818 HydrophobicContact CD1-CB 4.36Å; F805-R818 HydrophobicContact CD1-CG 3.76Å; F805-R818 HydrophobicContact CD2-CB 4.24Å; F805-R818 VanDerWaalsContact CD2-CD 3.41Å; F805-R818 HydrophobicContact CD2-CG 3.47Å; F805-R818 VanDerWaalsContact CD2-CG 3.47Å; F805-R818 HydrophobicContact CE1-CG 3.82Å; F805-R818 HydrophobicContact CE2-CG 3.55Å; F805-R818 HydrophobicContact CG-CB 4.04Å; F805-R818 HydrophobicContact CG-CG 3.58Å; F805-R818 HydrophobicContact CZ-CG 3.72Å; Q815-R818 PolarHBondContact O-N 2.62Å; R818-D820 PolarHBondContact O-N 3.08Å |
| 819 | C | 68.8 | Low | 64.3 | Low | 47 Ų | 47 | 60 Ų | 60 | 32% | 0.318 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 34.3 | 176.1 | -68.8 | 0 | 0 | 0 | 0 | 110.5 | D830 C834 | C819-D830 PolarHBondContact N-O 3.02Å; C819-C834 WeakPolarHBondContact SG-CB 3.48Å; C819-C834 CovalentContact SG-SG 2.45Å; C819-C834 PolarHBondContact SG-SG 2.79Å |
| 820 | D | 65 | Low | 65.4 | Low | 65 Ų | 65 | 56.5 Ų | 56.5 | 35% | 0.348 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -103.1 | 20.9 | -179 | 63.6 | -10.9 | 0 | 0 | 0 | 109.9 | R818 Q822 Q824 | R818-D820 PolarHBondContact O-N 3.08Å; D820-Q822 PolarHBondContact O-N 2.32Å; D820-Q822 PolarHBondContact OD1-N 2.56Å; D820-Q822 VanDerWaalsContact OD1-N 3.1Å; D820-Q822 VanDerWaalsContact OD1-O 3.12Å; D820-Q824 PolarHBondContact OD1-NE2 3.36Å; D820-Q824 PolarHBondContact OD1-OE1 3.42Å; D820-Q824 VanDerWaalsContact OD2-CD 3.31Å; D820-Q824 PolarHBondContact OD2-NE2 3.26Å; D820-Q824 PolarHBondContact OD2-OE1 3Å |
| 821 | G | 64.3 | Low | 66.2 | Low | 62 Ų | 62 | 56.9 Ų | 56.9 | 64% | 0.639 | 33% | 0.329 | S | S | * | . | S | Bend | trans | 77.3 | 0 | 170 | 0 | 0 | 0 | 0 | 0 | 112 | E831 | G821-E831 WeakPolarHBondContact CA-OE1 3.2Å; G821-E831 PolarHBondContact N-OE1 1.72Å |
| 822 | Q | 55.8 | Low | 66 | Low | 130 Ų | 130 | 58.7 Ų | 58.7 | 61% | 0.607 | 34% | 0.335 | S | S | * | . | S | Bend | 0 | 121.9 | 0 | -67.2 | -173.2 | 20.5 | 0 | 0 | 109.6 | D820 Q824 E831 | D820-Q822 PolarHBondContact O-N 2.32Å; D820-Q822 PolarHBondContact OD1-N 2.56Å; D820-Q822 VanDerWaalsContact OD1-N 3.1Å; D820-Q822 VanDerWaalsContact OD1-O 3.12Å; Q822-Q824 VanDerWaalsContact C-N 3.35Å; Q822-Q824 HydrophobicContact CB-CG 4.47Å; Q822-Q824 VanDerWaalsContact O-CD 3.23Å; Q822-Q824 PolarHBondContact O-N 2.89Å; Q822-Q824 PolarHBondContact O-NE2 2.98Å; Q822-Q824 VanDerWaalsContact O-NE2 3.14Å; Q822-Q824 PolarHBondContact O-OE1 2.76Å; Q822-E831 VanDerWaalsContact C-OE1 3.24Å; Q822-E831 WeakPolarHBondContact CA-OE1 3.43Å; Q822-E831 PolarHBondContact N-OE1 2.6Å | |
| 823 | T | 64.8 | Low | 65 | Low | 101 Ų | 101 | 64.5 Ų | 64.5 | 62% | 0.62 | 35% | 0.353 | S | S | * | . | trans | -68.3 | 87.5 | 179.4 | -48 | 0 | 0 | 0 | 0 | 110.3 | C825 G828 D830 | T823-C825 VanDerWaalsContact C-N 3.26Å; T823-C825 WeakPolarHBondContact CG2-O 3.43Å; T823-G828 VanDerWaalsContact CG2-CA 3.48Å; T823-D830 WeakPolarHBondContact CA-OD1 3.3Å; T823-D830 WeakPolarHBondContact CA-OD2 3.31Å | ||
| 824 | Q | 62.8 | Low | 64.1 | Low | 50 Ų | 50 | 66.1 Ų | 66.1 | 23% | 0.234 | 37% | 0.365 | C | S | . | . | trans | -91.8 | 0 | -178.7 | -75.3 | 117.3 | 30.3 | 0 | 0 | 110.8 | I813 Q817 D820 Q822 D830 | I813-Q824 HydrophobicContact CG2-CB 4.15Å; Q817-Q824 HydrophobicContact CB-CB 4.47Å; Q817-Q824 HydrophobicContact CB-CG 4.37Å; Q817-Q824 PolarHBondContact O-OE1 2.93Å; D820-Q824 PolarHBondContact OD1-NE2 3.36Å; D820-Q824 PolarHBondContact OD1-OE1 3.42Å; D820-Q824 VanDerWaalsContact OD2-CD 3.31Å; D820-Q824 PolarHBondContact OD2-NE2 3.26Å; D820-Q824 PolarHBondContact OD2-OE1 3Å; Q822-Q824 VanDerWaalsContact C-N 3.35Å; Q822-Q824 HydrophobicContact CB-CG 4.47Å; Q822-Q824 VanDerWaalsContact O-CD 3.23Å; Q822-Q824 PolarHBondContact O-N 2.89Å; Q822-Q824 PolarHBondContact O-NE2 2.98Å; Q822-Q824 VanDerWaalsContact O-NE2 3.14Å; Q822-Q824 PolarHBondContact O-OE1 2.76Å; Q824-D830 VanDerWaalsContact N-CG 3.32Å; Q824-D830 PolarHBondContact N-OD1 2.83Å; Q824-D830 PolarHBondContact N-OD2 2.93Å; Q824-D830 PolarHBondContact OE1-OD2 1.95Å | ||
| 825 | C | 71.1 | Confident | 63.7 | Low | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.007 | 38% | 0.375 | C | S | . | . | S | Bend | 0 | 0 | 0 | -74.5 | 0 | 0 | 0 | 0 | 109.6 | C807 I813 T823 D827 G828 D830 | C807-C825 WeakPolarHBondContact CA-SG 3.47Å; C807-C825 HydrophobicContact CB-CB 3.54Å; C807-C825 WeakPolarHBondContact CB-SG 2.88Å; C807-C825 WeakPolarHBondContact SG-CA 3.11Å; C807-C825 WeakPolarHBondContact SG-CB 3.39Å; C807-C825 CovalentContact SG-SG 1.41Å; C807-C825 PolarHBondContact SG-SG 3.33Å; I813-C825 WeakPolarHBondContact CD1-SG 3.17Å; T823-C825 VanDerWaalsContact C-N 3.26Å; T823-C825 WeakPolarHBondContact CG2-O 3.43Å; C825-D827 PolarHBondContact O-N 2.43Å; C825-G828 VanDerWaalsContact C-N 3.32Å; C825-G828 VanDerWaalsContact O-CA 3.31Å; C825-G828 WeakPolarHBondContact O-CA 3.32Å; C825-G828 PolarHBondContact O-N 2.61Å; C825-D830 HydrophobicContact CB-CB 3.95Å; C825-D830 WeakPolarHBondContact CB-OD1 3.43Å; C825-D830 PolarHBondContact N-OD1 2.68Å; C825-D830 VanDerWaalsContact N-OD1 3.14Å; C825-D830 VanDerWaalsContact SG-CB 3.57Å | |
| 826 | P | 68.2 | Low | 63.1 | Low | 107 Ų | 107 | 63 Ų | 63 | 70% | 0.695 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -7.7 | 10.6 | 0 | 0 | 0 | 111.9 | G828 | P826-G828 VanDerWaalsContact C-N 3.29Š| |
| 827 | D | 57.5 | Low | 62.4 | Low | 45 Ų | 45 | 64.2 Ų | 64.2 | 24% | 0.241 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | 0 | 4.5 | 0 | -173.6 | 39 | 0 | 0 | 0 | 110.3 | Y808 D809 C825 S829 | Y808-D827 VanDerWaalsContact CB-OD2 3.26Å; Y808-D827 WeakPolarHBondContact CB-OD2 3.5Å; D809-D827 HydrophobicContact CB-CB 4.21Å; C825-D827 PolarHBondContact O-N 2.43Å; D827-S829 PolarHBondContact O-N 2.03Å; D827-S829 PolarHBondContact OD2-OG 3.4Å | |
| 828 | G | 64.3 | Low | 61.1 | Low | 15 Ų | 15 | 66.9 Ų | 66.9 | 16% | 0.155 | 38% | 0.378 | C | S | . | . | S | Bend | trans | 65.8 | 11.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T823 C825 P826 D830 E831 I832 | T823-G828 VanDerWaalsContact CG2-CA 3.48Å; C825-G828 VanDerWaalsContact C-N 3.32Å; C825-G828 VanDerWaalsContact O-CA 3.31Å; C825-G828 WeakPolarHBondContact O-CA 3.32Å; C825-G828 PolarHBondContact O-N 2.61Å; P826-G828 VanDerWaalsContact C-N 3.29Å; G828-D830 PolarHBondContact O-N 2.92Å; G828-E831 PolarHBondContact O-N 3.01Å; G828-E831 VanDerWaalsContact O-N 3.09Å; G828-I832 WeakPolarHBondContact O-CG1 3.43Å |
| 829 | S | 70.3 | Confident | 60.3 | Low | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -64.4 | -29.4 | -178.4 | -67.3 | 0 | 0 | 0 | 0 | 111.3 | Y808 D827 E831 | Y808-S829 WeakPolarHBondContact CB-OG 3.37Å; Y808-S829 WeakPolarHBondContact CD2-OG 3.47Å; Y808-S829 PolarHBondContact N-OG 3.21Å; D827-S829 PolarHBondContact O-N 2.03Å; D827-S829 PolarHBondContact OD2-OG 3.4Å; S829-E831 PolarHBondContact O-N 3.19Å; S829-E831 VanDerWaalsContact O-N 3.1Å |
| 830 | D | 75.8 | Confident | 60.1 | Low | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -70 | 0 | 180 | 67.2 | -41.1 | 0 | 0 | 0 | 110.5 | F805 I813 C819 T823 Q824 C825 G828 | F805-D830 HydrophobicContact CD1-CB 4.25Å; F805-D830 HydrophobicContact CE1-CB 3.96Å; I813-D830 HydrophobicContact CD1-CB 3.26Å; C819-D830 PolarHBondContact N-O 3.02Å; T823-D830 WeakPolarHBondContact CA-OD1 3.3Å; T823-D830 WeakPolarHBondContact CA-OD2 3.31Å; Q824-D830 VanDerWaalsContact N-CG 3.32Å; Q824-D830 PolarHBondContact N-OD1 2.83Å; Q824-D830 PolarHBondContact N-OD2 2.93Å; Q824-D830 PolarHBondContact OE1-OD2 1.95Å; C825-D830 HydrophobicContact CB-CB 3.95Å; C825-D830 WeakPolarHBondContact CB-OD1 3.43Å; C825-D830 PolarHBondContact N-OD1 2.68Å; C825-D830 VanDerWaalsContact N-OD1 3.14Å; C825-D830 VanDerWaalsContact SG-CB 3.57Å; G828-D830 PolarHBondContact O-N 2.92Å |
| 831 | E | 73.5 | Confident | 60 | Low | 62 Ų | 62 | 71.3 Ų | 71.3 | 29% | 0.29 | 40% | 0.397 | S | S | . | . | G | 310 helix | 0 | 0 | 0 | -64.7 | -109 | 170.5 | 0 | 0 | 109.4 | G821 Q822 G828 S829 | G821-E831 WeakPolarHBondContact CA-OE1 3.2Å; G821-E831 PolarHBondContact N-OE1 1.72Å; Q822-E831 VanDerWaalsContact C-OE1 3.24Å; Q822-E831 WeakPolarHBondContact CA-OE1 3.43Å; Q822-E831 PolarHBondContact N-OE1 2.6Å; G828-E831 PolarHBondContact O-N 3.01Å; G828-E831 VanDerWaalsContact O-N 3.09Å; S829-E831 PolarHBondContact O-N 3.19Å; S829-E831 VanDerWaalsContact O-N 3.1Å | |
| 832 | I | 62.4 | Low | 60.5 | Low | 82 Ų | 82 | 72.9 Ų | 72.9 | 42% | 0.421 | 39% | 0.39 | S | S | . | . | S | Bend | 0 | 0 | 0 | 52.6 | 166.7 | 0 | 0 | 0 | 107.7 | Y808 G828 | Y808-I832 HydrophobicContact CD2-CD1 4.45Å; Y808-I832 HydrophobicContact CE2-CD1 4.35Å; Y808-I832 HydrophobicContact CE2-CG1 4.47Å; G828-I832 WeakPolarHBondContact O-CG1 3.43Å | |
| 833 | K | 49.5 | Very low | 61.1 | Low | 182 Ų | 182 | 67.1 Ų | 67.1 | 79% | 0.791 | 36% | 0.364 | S | S | * | . | S | Bend | 0 | 52.2 | 0 | -150 | 177.9 | -178.3 | 176.2 | 0 | 111.2 | V835 | K833-V835 HydrophobicContact CG-CG2 4.43Å; K833-V835 PolarHBondContact O-N 3.02Å | |
| 834 | C | 49.1 | Very low | 61.1 | Low | 49 Ų | 49 | 66.9 Ų | 66.9 | 33% | 0.331 | 37% | 0.367 | S | S | . | . | trans | -73.9 | 73.5 | 167.2 | -76.4 | 0 | 0 | 0 | 0 | 109.9 | C819 | C819-C834 WeakPolarHBondContact SG-CB 3.48Å; C819-C834 CovalentContact SG-SG 2.45Å; C819-C834 PolarHBondContact SG-SG 2.79Å | ||
| 835 | V | 55.9 | Low | 60.8 | Low | 98 Ų | 98 | 66.8 Ų | 66.8 | 59% | 0.594 | 37% | 0.371 | S | S | * | . | trans | -67.1 | 113.6 | 168.1 | -131.4 | 0 | 0 | 0 | 0 | 109.3 | K833 Q837 | K833-V835 HydrophobicContact CG-CG2 4.43Å; K833-V835 PolarHBondContact O-N 3.02Å; V835-Q837 PolarHBondContact O-N 3.09Å | ||
| 836 | C | 49 | Very low | 60.5 | Low | 23 Ų | 23 | 69.1 Ų | 69.1 | 16% | 0.155 | 40% | 0.396 | C | S | . | . | trans | -25.8 | 95 | -177.3 | -74.6 | 0 | 0 | 0 | 0 | 111.2 | P838 R840 L842 C848 | C836-P838 WeakPolarHBondContact O-CD 3.41Å; C836-R840 CarbonylContact C-O 3.56Å; C836-R840 VanDerWaalsContact C-O 3.25Å; C836-R840 HydrophobicContact CB-CB 4.13Å; C836-R840 WeakPolarHBondContact CB-O 3.31Å; C836-L842 HydrophobicContact CB-CB 4.26Å; C836-L842 WeakPolarHBondContact SG-CA 3.43Å; C836-L842 PolarHBondContact SG-N 3.31Å; C836-C848 HydrophobicContact CB-CB 3.89Å; C836-C848 WeakPolarHBondContact CB-SG 3.39Å; C836-C848 WeakPolarHBondContact SG-CA 3.45Å; C836-C848 WeakPolarHBondContact SG-CB 3.31Å; C836-C848 CovalentContact SG-SG 1.9Å; C836-C848 PolarHBondContact SG-SG 2.76Å | ||
| 837 | Q | 51.6 | Low | 60.3 | Low | 111 Ų | 111 | 68.7 Ų | 68.7 | 52% | 0.519 | 39% | 0.385 | S | S | . | . | trans | -60.5 | 115.4 | 175.5 | -71.9 | -160.7 | 1 | 0 | 0 | 110.7 | V835 R840 | V835-Q837 PolarHBondContact O-N 3.09Å; Q837-R840 WeakPolarHBondContact O-CA 3.18Å; Q837-R840 WeakPolarHBondContact O-CB 2.86Å; Q837-R840 PolarHBondContact O-N 2.24Å | ||
| 838 | P | 42 | Very low | 61 | Low | 119 Ų | 119 | 68.8 Ų | 68.8 | 77% | 0.773 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.1 | 128.8 | 170.4 | -7.6 | 12.9 | 0 | 0 | 0 | 111.6 | C836 | C836-P838 WeakPolarHBondContact O-CD 3.41Š|
| 839 | P | 43.8 | Very low | 61.1 | Low | 78 Ų | 78 | 68.5 Ų | 68.5 | 51% | 0.506 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -110.8 | 28.1 | 32.1 | 25.9 | -20.6 | 0 | 0 | 0 | 111.6 | P851 | P839-P851 HydrophobicContact CB-CB 4.46Å; P839-P851 HydrophobicContact CB-CG 3.13Å; P839-P851 HydrophobicContact CG-CG 4.3Å; P839-P851 WeakPolarHBondContact O-CD 3.33Å; P839-P851 WeakPolarHBondContact O-CG 3Å |
| 840 | R | 65.1 | Low | 60.9 | Low | 129 Ų | 129 | 69.4 Ų | 69.4 | 49% | 0.487 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -95.9 | 0 | -177.7 | -66 | -163.5 | 98.3 | 173.1 | 2 | 109.4 | C836 Q837 I849 T850 | C836-R840 CarbonylContact C-O 3.56Å; C836-R840 VanDerWaalsContact C-O 3.25Å; C836-R840 HydrophobicContact CB-CB 4.13Å; C836-R840 WeakPolarHBondContact CB-O 3.31Å; Q837-R840 WeakPolarHBondContact O-CA 3.18Å; Q837-R840 WeakPolarHBondContact O-CB 2.86Å; Q837-R840 PolarHBondContact O-N 2.24Å; R840-I849 CarbonylContact C-O 3.33Å; R840-I849 VanDerWaalsContact CA-O 3.25Å; R840-I849 WeakPolarHBondContact CA-O 3.17Å; R840-T850 HydrophobicContact CG-CG2 3.73Å |
| 841 | I | 63.5 | Low | 60.2 | Low | 53 Ų | 53 | 71.9 Ų | 71.9 | 27% | 0.272 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 122.4 | 0 | -60.6 | 169.2 | 0 | 0 | 0 | 109.2 | C848 I849 P851 R854 | I841-C848 CarbonylContact O-C 3.55Å; I841-C848 WeakPolarHBondContact O-CA 3.32Å; I841-I849 WeakPolarHBondContact CA-O 3.32Å; I841-I849 HydrophobicContact CB-CG1 4.43Å; I841-I849 PolarHBondContact N-O 3.34Å; I841-I849 VanDerWaalsContact O-CG1 3.31Å; I841-I849 WeakPolarHBondContact O-CG1 3.39Å; I841-I849 PolarHBondContact O-N 3.07Å; I841-I849 VanDerWaalsContact O-O 3.04Å; I841-P851 HydrophobicContact CD1-CB 3.87Å; I841-P851 HydrophobicContact CD1-CG 4.15Å; I841-P851 HydrophobicContact CG1-CG 4.31Å; I841-R854 HydrophobicContact CD1-CB 4.29Å | |
| 842 | L | 73.9 | Confident | 60 | Low | 96 Ų | 96 | 75.1 Ų | 75.1 | 50% | 0.503 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 118.1 | -178.4 | -177.3 | 70.2 | 0 | 0 | 0 | 109.9 | C836 E847 | C836-L842 HydrophobicContact CB-CB 4.26Å; C836-L842 WeakPolarHBondContact SG-CA 3.43Å; C836-L842 PolarHBondContact SG-N 3.31Å; L842-E847 CarbonylContact C-O 3.57Å |
| 843 | C | 68.2 | Low | 60.3 | Low | 8 Ų | 8 | 73.9 Ų | 73.9 | 5% | 0.054 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 0 | 171.1 | -108.7 | 0 | 0 | 0 | 0 | 111.4 | S845 G846 E847 C861 | C843-S845 PolarHBondContact O-N 3.07Å; C843-G846 WeakPolarHBondContact O-CA 3.42Å; C843-G846 PolarHBondContact O-N 3.11Å; C843-E847 VanDerWaalsContact CA-O 3.29Å; C843-E847 WeakPolarHBondContact CA-O 3.41Å; C843-E847 HydrophobicContact CB-CB 4Å; C843-E847 WeakPolarHBondContact CB-O 2.55Å; C843-E847 PolarHBondContact N-O 2.79Å; C843-C861 HydrophobicContact CB-CB 3.76Å; C843-C861 WeakPolarHBondContact CB-SG 3.14Å; C843-C861 WeakPolarHBondContact SG-CA 3.21Å; C843-C861 WeakPolarHBondContact SG-CB 3.33Å; C843-C861 CovalentContact SG-SG 0.99Å; C843-C861 PolarHBondContact SG-SG 2.79Å |
| 844 | S | 65.4 | Low | 60.8 | Low | 96 Ų | 96 | 72 Ų | 72 | 67% | 0.671 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | -19.2 | 0 | -36.5 | 0 | 0 | 0 | 0 | 110.9 | S865 | S844-S865 WeakPolarHBondContact CB-OG 3.17Å; S844-S865 PolarHBondContact N-OG 2.82Å; S844-S865 WeakPolarHBondContact OG-CB 2.79Å; S844-S865 PolarHBondContact OG-OG 3.34Å; S844-S865 VanDerWaalsContact OG-OG 3.14Å | |
| 845 | S | 57.5 | Low | 61.9 | Low | 48 Ų | 48 | 70.9 Ų | 70.9 | 34% | 0.336 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 0 | 174.8 | 60 | 0 | 0 | 0 | 0 | 111.1 | C843 | C843-S845 PolarHBondContact O-N 3.07Š|
| 846 | G | 64.8 | Low | 62.4 | Low | 50 Ų | 50 | 68.4 Ų | 68.4 | 52% | 0.515 | 38% | 0.377 | S | S | . | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.4 | C843 | C843-G846 WeakPolarHBondContact O-CA 3.42Å; C843-G846 PolarHBondContact O-N 3.11Å | |
| 847 | E | 64.1 | Low | 63.2 | Low | 99 Ų | 99 | 69.9 Ų | 69.9 | 46% | 0.463 | 40% | 0.396 | S | S | . | . | 0 | 144.5 | 0 | -52 | -72.5 | 163.7 | 0 | 0 | 110.7 | L842 C843 | L842-E847 CarbonylContact C-O 3.57Å; C843-E847 VanDerWaalsContact CA-O 3.29Å; C843-E847 WeakPolarHBondContact CA-O 3.41Å; C843-E847 HydrophobicContact CB-CB 4Å; C843-E847 WeakPolarHBondContact CB-O 2.55Å; C843-E847 PolarHBondContact N-O 2.79Å | |||
| 848 | C | 71.7 | Confident | 63.7 | Low | 47 Ų | 47 | 69.5 Ų | 69.5 | 32% | 0.318 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 0 | -176.3 | -65.1 | 0 | 0 | 0 | 0 | 109.9 | C836 I841 | C836-C848 HydrophobicContact CB-CB 3.89Å; C836-C848 WeakPolarHBondContact CB-SG 3.39Å; C836-C848 WeakPolarHBondContact SG-CA 3.45Å; C836-C848 WeakPolarHBondContact SG-CB 3.31Å; C836-C848 CovalentContact SG-SG 1.9Å; C836-C848 PolarHBondContact SG-SG 2.76Å; I841-C848 CarbonylContact O-C 3.55Å; I841-C848 WeakPolarHBondContact O-CA 3.32Å |
| 849 | I | 66 | Low | 65.1 | Low | 9 Ų | 9 | 70 Ų | 70 | 5% | 0.046 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 140.6 | 0 | 54.9 | 171 | 0 | 0 | 0 | 109.3 | R840 I841 M853 R854 H860 D866 | R840-I849 CarbonylContact C-O 3.33Å; R840-I849 VanDerWaalsContact CA-O 3.25Å; R840-I849 WeakPolarHBondContact CA-O 3.17Å; I841-I849 WeakPolarHBondContact CA-O 3.32Å; I841-I849 HydrophobicContact CB-CG1 4.43Å; I841-I849 PolarHBondContact N-O 3.34Å; I841-I849 VanDerWaalsContact O-CG1 3.31Å; I841-I849 WeakPolarHBondContact O-CG1 3.39Å; I841-I849 PolarHBondContact O-N 3.07Å; I841-I849 VanDerWaalsContact O-O 3.04Å; I849-M853 HydrophobicContact CB-CB 3.5Å; I849-M853 HydrophobicContact CB-CG 4.34Å; I849-M853 HydrophobicContact CB-SD 3.91Å; I849-M853 HydrophobicContact CD1-CB 4.17Å; I849-M853 HydrophobicContact CG1-CB 4.29Å; I849-M853 HydrophobicContact CG2-CB 4.18Å; I849-M853 HydrophobicContact CG2-SD 4.12Å; I849-R854 HydrophobicContact CD1-CB 4.42Å; I849-H860 HydrophobicContact CG2-CB 3.73Å; I849-D866 HydrophobicContact CD1-CB 3.41Å; I849-D866 VanDerWaalsContact CD1-CB 3.41Å | |
| 850 | T | 66.2 | Low | 66.3 | Low | 19 Ų | 19 | 69.8 Ų | 69.8 | 12% | 0.117 | 38% | 0.38 | C | S | . | . | trans | -65.5 | 0 | 176.2 | 58.7 | 0 | 0 | 0 | 0 | 110.3 | R840 E852 M853 | R840-T850 HydrophobicContact CG-CG2 3.73Å; T850-E852 WeakPolarHBondContact CB-OE2 3.38Å; T850-E852 CarbonylContact O-C 3.46Å; T850-E852 PolarHBondContact O-N 2.39Å; T850-E852 PolarHBondContact OG1-OE2 3.32Å; T850-M853 HydrophobicContact CG2-CE 4.12Å; T850-M853 VanDerWaalsContact O-CA 3.3Å; T850-M853 WeakPolarHBondContact O-CA 2.84Å; T850-M853 WeakPolarHBondContact O-CB 3.33Å; T850-M853 PolarHBondContact O-N 2.71Å; T850-M853 WeakPolarHBondContact OG1-CE 3.36Å; T850-M853 WeakPolarHBondContact OG1-CG 2.56Å; T850-M853 PolarHBondContact OG1-SD 3.4Å; T850-M853 VanDerWaalsContact OG1-SD 3.42Å | ||
| 851 | P | 62.1 | Low | 66.6 | Low | 52 Ų | 52 | 63.7 Ų | 63.7 | 34% | 0.338 | 36% | 0.357 | S | S | . | . | G | 310 helix | 0 | 0 | 0 | -22 | 28.5 | 0 | 0 | 0 | 112.3 | P839 I841 M853 R854 | P839-P851 HydrophobicContact CB-CB 4.46Å; P839-P851 HydrophobicContact CB-CG 3.13Å; P839-P851 HydrophobicContact CG-CG 4.3Å; P839-P851 WeakPolarHBondContact O-CD 3.33Å; P839-P851 WeakPolarHBondContact O-CG 3Å; I841-P851 HydrophobicContact CD1-CB 3.87Å; I841-P851 HydrophobicContact CD1-CG 4.15Å; I841-P851 HydrophobicContact CG1-CG 4.31Å; P851-M853 PolarHBondContact O-N 3.32Å; P851-R854 PolarHBondContact O-N 1.77Å | |
| 852 | E | 67.4 | Low | 67.3 | Low | 129 Ų | 129 | 71.8 Ų | 71.8 | 60% | 0.603 | 39% | 0.385 | S | S | * | . | G | 310 helix | 0 | -13.3 | 0 | -43.7 | 101.7 | -155.7 | 0 | 0 | 110.8 | T850 R854 D856 | T850-E852 WeakPolarHBondContact CB-OE2 3.38Å; T850-E852 CarbonylContact O-C 3.46Å; T850-E852 PolarHBondContact O-N 2.39Å; T850-E852 PolarHBondContact OG1-OE2 3.32Å; E852-R854 VanDerWaalsContact C-N 3.35Å; E852-D856 WeakPolarHBondContact O-CB 3.41Å | |
| 853 | M | 69.3 | Low | 66.8 | Low | 57 Ų | 57 | 72.5 Ų | 72.5 | 28% | 0.281 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -98.2 | 0 | -172.6 | -72.3 | 179.8 | -163.8 | 0 | 0 | 109.3 | I849 T850 P851 D856 | I849-M853 HydrophobicContact CB-CB 3.5Å; I849-M853 HydrophobicContact CB-CG 4.34Å; I849-M853 HydrophobicContact CB-SD 3.91Å; I849-M853 HydrophobicContact CD1-CB 4.17Å; I849-M853 HydrophobicContact CG1-CB 4.29Å; I849-M853 HydrophobicContact CG2-CB 4.18Å; I849-M853 HydrophobicContact CG2-SD 4.12Å; T850-M853 HydrophobicContact CG2-CE 4.12Å; T850-M853 VanDerWaalsContact O-CA 3.3Å; T850-M853 WeakPolarHBondContact O-CA 2.84Å; T850-M853 WeakPolarHBondContact O-CB 3.33Å; T850-M853 PolarHBondContact O-N 2.71Å; T850-M853 WeakPolarHBondContact OG1-CE 3.36Å; T850-M853 WeakPolarHBondContact OG1-CG 2.56Å; T850-M853 PolarHBondContact OG1-SD 3.4Å; T850-M853 VanDerWaalsContact OG1-SD 3.42Å; P851-M853 PolarHBondContact O-N 3.32Å; M853-D856 WeakPolarHBondContact CA-OD2 2.87Å |
| 854 | R | 60.1 | Low | 66.6 | Low | 141 Ų | 141 | 72.7 Ų | 72.7 | 53% | 0.532 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 111.2 | 0 | -155.9 | 177.7 | 170.3 | 163.8 | 0.3 | 109.8 | I841 I849 P851 E852 | I841-R854 HydrophobicContact CD1-CB 4.29Å; I849-R854 HydrophobicContact CD1-CB 4.42Å; P851-R854 PolarHBondContact O-N 1.77Å; E852-R854 VanDerWaalsContact C-N 3.35Å | |
| 855 | C | 71.3 | Confident | 67.1 | Low | 26 Ų | 26 | 69 Ų | 69 | 18% | 0.176 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 0 | 174.7 | -66.8 | 0 | 0 | 0 | 0 | 110.4 | D866 C870 R873 | C855-D866 PolarHBondContact N-O 2.56Å; C855-C870 HydrophobicContact CB-CB 3.91Å; C855-C870 WeakPolarHBondContact CB-SG 3.14Å; C855-C870 WeakPolarHBondContact SG-CA 3.12Å; C855-C870 WeakPolarHBondContact SG-CB 3.09Å; C855-C870 CovalentContact SG-SG 2.2Å; C855-C870 PolarHBondContact SG-SG 2.83Å; C855-R873 PolarHBondContact O-NE 1.81Å; C855-R873 VanDerWaalsContact O-NE 3.08Å; C855-R873 PolarHBondContact O-NH2 3.18Å |
| 856 | D | 66.9 | Low | 67.9 | Low | 47 Ų | 47 | 66.9 Ų | 66.9 | 25% | 0.251 | 35% | 0.352 | S | S | . | . | S | Bend | 0 | 22.9 | 0 | 65 | -12 | 0 | 0 | 0 | 109.5 | E852 M853 I858 H860 | E852-D856 WeakPolarHBondContact O-CB 3.41Å; M853-D856 WeakPolarHBondContact CA-OD2 2.87Å; D856-I858 PolarHBondContact O-N 2.48Å; D856-I858 PolarHBondContact OD1-N 1.87Å; D856-I858 VanDerWaalsContact OD1-O 3.07Å; D856-H860 VanDerWaalsContact CG-CD2 3.48Å; D856-H860 IonicContact OD1-CD2 3.92Å; D856-H860 PolarHBondContact OD1-CD2 3.24Å; D856-H860 IonicContact OD1-NE2 3.68Å; D856-H860 PolarHBondContact OD1-NE2 3.34Å; D856-H860 IonicContact OD2-CD2 3.45Å; D856-H860 PolarHBondContact OD2-CD2 2.4Å; D856-H860 IonicContact OD2-CE1 2.68Å; D856-H860 IonicContact OD2-NE2 3.34Å; D856-H860 PolarHBondContact OD2-NE2 3.3Å | |
| 857 | G | 65.6 | Low | 68.4 | Low | 54 Ų | 54 | 67.9 Ų | 67.9 | 56% | 0.557 | 34% | 0.343 | S | S | * | . | S | Bend | trans | 75.3 | 6.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E867 | G857-E867 VanDerWaalsContact CA-OE1 3.23Å; G857-E867 WeakPolarHBondContact CA-OE1 3.24Å; G857-E867 PolarHBondContact N-OE1 2.64Å |
| 858 | I | 63.9 | Low | 68.6 | Low | 103 Ų | 103 | 68.9 Ų | 68.9 | 53% | 0.528 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -134.1 | 114.1 | 179.7 | -61.9 | 171.6 | 0 | 0 | 0 | 107.8 | D856 H860 E867 | D856-I858 PolarHBondContact O-N 2.48Å; D856-I858 PolarHBondContact OD1-N 1.87Å; D856-I858 VanDerWaalsContact OD1-O 3.07Å; I858-H860 VanDerWaalsContact C-N 3.28Å; I858-H860 WeakPolarHBondContact CB-NE2 3.14Å; I858-H860 PolarHBondContact O-CD2 2.53Å; I858-H860 PolarHBondContact O-N 2.68Å; I858-E867 PolarHBondContact N-OE1 2.06Å |
| 859 | Q | 70.9 | Confident | 67.7 | Low | 129 Ų | 129 | 71.4 Ų | 71.4 | 60% | 0.603 | 38% | 0.375 | S | S | * | . | trans | -56.8 | 92.7 | 176.3 | -151.6 | -174.2 | 0.9 | 0 | 0 | 111 | C861 G864 D866 | Q859-C861 WeakPolarHBondContact CG-O 3.46Å; Q859-C861 PolarHBondContact NE2-O 3.27Å; Q859-G864 VanDerWaalsContact NE2-N 3.11Å; Q859-D866 WeakPolarHBondContact CA-OD2 3.22Å | ||
| 860 | H | 67.5 | Low | 67 | Low | 73 Ų | 73 | 73 Ų | 73 | 34% | 0.338 | 39% | 0.386 | S | S | . | . | trans | -91.2 | 0 | 179.5 | -71.9 | -69.9 | 0 | 0 | 0 | 110.4 | I849 D856 I858 D866 | I849-H860 HydrophobicContact CG2-CB 3.73Å; D856-H860 VanDerWaalsContact CG-CD2 3.48Å; D856-H860 IonicContact OD1-CD2 3.92Å; D856-H860 PolarHBondContact OD1-CD2 3.24Å; D856-H860 IonicContact OD1-NE2 3.68Å; D856-H860 PolarHBondContact OD1-NE2 3.34Å; D856-H860 IonicContact OD2-CD2 3.45Å; D856-H860 PolarHBondContact OD2-CD2 2.4Å; D856-H860 IonicContact OD2-CE1 2.68Å; D856-H860 IonicContact OD2-NE2 3.34Å; D856-H860 PolarHBondContact OD2-NE2 3.3Å; I858-H860 VanDerWaalsContact C-N 3.28Å; I858-H860 WeakPolarHBondContact CB-NE2 3.14Å; I858-H860 PolarHBondContact O-CD2 2.53Å; I858-H860 PolarHBondContact O-N 2.68Å; H860-D866 VanDerWaalsContact N-CG 3.32Å; H860-D866 PolarHBondContact N-OD2 3.26Å | ||
| 861 | C | 72.8 | Confident | 66.1 | Low | 1 Ų | 1 | 77.2 Ų | 77.2 | 1% | 0.007 | 41% | 0.413 | C | S | . | . | S | Bend | 0 | 0 | 0 | -69.4 | 0 | 0 | 0 | 0 | 109.6 | C843 Q859 D863 G864 D866 | C843-C861 HydrophobicContact CB-CB 3.76Å; C843-C861 WeakPolarHBondContact CB-SG 3.14Å; C843-C861 WeakPolarHBondContact SG-CA 3.21Å; C843-C861 WeakPolarHBondContact SG-CB 3.33Å; C843-C861 CovalentContact SG-SG 0.99Å; C843-C861 PolarHBondContact SG-SG 2.79Å; Q859-C861 WeakPolarHBondContact CG-O 3.46Å; Q859-C861 PolarHBondContact NE2-O 3.27Å; C861-D863 PolarHBondContact O-N 2.46Å; C861-G864 WeakPolarHBondContact O-CA 1.95Å; C861-G864 PolarHBondContact O-N 3.1Å; C861-D866 HydrophobicContact CB-CB 3.89Å; C861-D866 PolarHBondContact N-OD1 3.2Å; C861-D866 WeakPolarHBondContact SG-CB 2.52Å | |
| 862 | R | 77.3 | Confident | 65.2 | Low | 224 Ų | 224 | 78.4 Ų | 78.4 | 85% | 0.845 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | -19.5 | 0 | -99.4 | -176.5 | -170 | 170.2 | 1.1 | 111.1 | G864 | R862-G864 VanDerWaalsContact C-N 3.33Š| |
| 863 | D | 63.1 | Low | 64.4 | Low | 110 Ų | 110 | 80.4 Ų | 80.4 | 59% | 0.588 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | 6.7 | -179.4 | -154 | 17.1 | 0 | 0 | 0 | 110.1 | C861 S865 | C861-D863 PolarHBondContact O-N 2.46Å; D863-S865 PolarHBondContact O-N 2.78Å |
| 864 | G | 65.3 | Low | 63.5 | Low | 13 Ų | 13 | 79.1 Ų | 79.1 | 13% | 0.134 | 42% | 0.42 | C | S | . | . | S | Bend | trans | 66 | 16.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q859 C861 R862 D866 E867 I868 | Q859-G864 VanDerWaalsContact NE2-N 3.11Å; C861-G864 WeakPolarHBondContact O-CA 1.95Å; C861-G864 PolarHBondContact O-N 3.1Å; R862-G864 VanDerWaalsContact C-N 3.33Å; G864-D866 PolarHBondContact O-N 3.24Å; G864-E867 PolarHBondContact O-N 2.49Å; G864-I868 WeakPolarHBondContact O-CG1 3.08Å |
| 865 | S | 74.5 | Confident | 63.1 | Low | 17 Ų | 17 | 81.7 Ų | 81.7 | 12% | 0.119 | 43% | 0.429 | C | S | . | . | G | 310 helix | trans | -72.8 | -25.1 | -176.9 | 1.3 | 0 | 0 | 0 | 0 | 111 | S844 D863 E867 I868 | S844-S865 WeakPolarHBondContact CB-OG 3.17Å; S844-S865 PolarHBondContact N-OG 2.82Å; S844-S865 WeakPolarHBondContact OG-CB 2.79Å; S844-S865 PolarHBondContact OG-OG 3.34Å; S844-S865 VanDerWaalsContact OG-OG 3.14Å; D863-S865 PolarHBondContact O-N 2.78Å; S865-E867 PolarHBondContact O-N 2.96Å; S865-E867 VanDerWaalsContact O-N 3.15Å; S865-I868 VanDerWaalsContact CA-CD1 3.47Å; S865-I868 WeakPolarHBondContact O-CG1 3.3Å |
| 866 | D | 75.3 | Confident | 62.1 | Low | 5 Ų | 5 | 87.2 Ų | 87.2 | 3% | 0.027 | 47% | 0.465 | C | S | . | . | G | 310 helix | trans | -70.2 | 0 | 179.6 | 70 | -42 | 0 | 0 | 0 | 110.3 | I849 C855 Q859 H860 C861 G864 | I849-D866 HydrophobicContact CD1-CB 3.41Å; I849-D866 VanDerWaalsContact CD1-CB 3.41Å; C855-D866 PolarHBondContact N-O 2.56Å; Q859-D866 WeakPolarHBondContact CA-OD2 3.22Å; H860-D866 VanDerWaalsContact N-CG 3.32Å; H860-D866 PolarHBondContact N-OD2 3.26Å; C861-D866 HydrophobicContact CB-CB 3.89Å; C861-D866 PolarHBondContact N-OD1 3.2Å; C861-D866 WeakPolarHBondContact SG-CB 2.52Å; G864-D866 PolarHBondContact O-N 3.24Å |
| 867 | E | 75.4 | Confident | 61.5 | Low | 71 Ų | 71 | 86.7 Ų | 86.7 | 33% | 0.332 | 47% | 0.47 | S | S | . | . | G | 310 helix | 0 | 0 | 0 | -62.8 | -103 | 170.6 | 0 | 0 | 110 | G857 I858 G864 S865 C870 | G857-E867 VanDerWaalsContact CA-OE1 3.23Å; G857-E867 WeakPolarHBondContact CA-OE1 3.24Å; G857-E867 PolarHBondContact N-OE1 2.64Å; I858-E867 PolarHBondContact N-OE1 2.06Å; G864-E867 PolarHBondContact O-N 2.49Å; S865-E867 PolarHBondContact O-N 2.96Å; S865-E867 VanDerWaalsContact O-N 3.15Å; E867-C870 VanDerWaalsContact C-SG 3.56Å; E867-C870 VanDerWaalsContact CA-SG 3.59Å | |
| 868 | I | 67.6 | Low | 61.6 | Low | 119 Ų | 119 | 87.1 Ų | 87.1 | 61% | 0.61 | 46% | 0.458 | S | S | * | . | S | Bend | 0 | 124.4 | 0 | 27.1 | 165.5 | 0 | 0 | 0 | 107.9 | G864 S865 | G864-I868 WeakPolarHBondContact O-CG1 3.08Å; S865-I868 VanDerWaalsContact CA-CD1 3.47Å; S865-I868 WeakPolarHBondContact O-CG1 3.3Å | |
| 869 | A | 53.4 | Low | 61.6 | Low | 101 Ų | 101 | 84.7 Ų | 84.7 | 84% | 0.835 | 44% | 0.443 | S | S | * | . | S | Bend | trans | 72.7 | 47 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 870 | C | 52.2 | Low | 61.8 | Low | 43 Ų | 43 | 81.9 Ų | 81.9 | 29% | 0.291 | 43% | 0.429 | S | S | . | . | trans | -81.2 | 99.7 | 175.2 | -71.1 | 0 | 0 | 0 | 0 | 109.9 | C855 E867 | C855-C870 HydrophobicContact CB-CB 3.91Å; C855-C870 WeakPolarHBondContact CB-SG 3.14Å; C855-C870 WeakPolarHBondContact SG-CA 3.12Å; C855-C870 WeakPolarHBondContact SG-CB 3.09Å; C855-C870 CovalentContact SG-SG 2.2Å; C855-C870 PolarHBondContact SG-SG 2.83Å; E867-C870 VanDerWaalsContact C-SG 3.56Å; E867-C870 VanDerWaalsContact CA-SG 3.59Å | ||
| 871 | P | 46.6 | Very low | 61.8 | Low | 106 Ų | 106 | 78.5 Ų | 78.5 | 69% | 0.688 | 41% | 0.414 | S | S | * | . | trans | -60.8 | 0 | -178 | 2.7 | 3.1 | 0 | 0 | 0 | 111.7 | R873 | P871-R873 PolarHBondContact O-N 2.9Š| ||
| 872 | P | 43.7 | Very low | 61.5 | Low | 78 Ų | 78 | 82.6 Ų | 82.6 | 51% | 0.506 | 44% | 0.442 | S | S | . | . | 0 | 106.3 | 0 | 9 | 3.1 | 0 | 0 | 0 | 111.8 | C874 Q880 | P872-C874 PolarHBondContact O-N 3.34Å; P872-Q880 PolarHBondContact O-NE2 3.03Å; P872-Q880 PolarHBondContact O-OE1 3.05Å | |||
| 873 | R | 49.3 | Very low | 60.7 | Low | 170 Ų | 170 | 74.4 Ų | 74.4 | 64% | 0.642 | 42% | 0.419 | S | S | * | . | trans | -26.5 | 0 | 169.4 | -73.2 | -164 | 161.6 | 157.6 | -1.3 | 111.4 | C855 P871 C886 | C855-R873 PolarHBondContact O-NE 1.81Å; C855-R873 VanDerWaalsContact O-NE 3.08Å; C855-R873 PolarHBondContact O-NH2 3.18Å; P871-R873 PolarHBondContact O-N 2.9Å; R873-C886 PolarHBondContact O-SG 2.76Å | ||
| 874 | C | 50 | Low | 60.7 | Low | 30 Ų | 30 | 71.4 Ų | 71.4 | 20% | 0.203 | 42% | 0.415 | C | S | . | . | 0 | 119.1 | 0 | -62.8 | 0 | 0 | 0 | 0 | 109.7 | P872 Q878 C886 | P872-C874 PolarHBondContact O-N 3.34Å; C874-Q878 HydrophobicContact CB-CB 3.89Å; C874-C886 WeakPolarHBondContact CA-SG 3.48Å; C874-C886 HydrophobicContact CB-CB 2.99Å; C874-C886 WeakPolarHBondContact CB-SG 3.45Å; C874-C886 PolarHBondContact N-SG 3.31Å; C874-C886 VanDerWaalsContact N-SG 3.42Å; C874-C886 WeakPolarHBondContact SG-CA 3.5Å; C874-C886 WeakPolarHBondContact SG-CB 3.02Å; C874-C886 CovalentContact SG-SG 1.05Å; C874-C886 PolarHBondContact SG-SG 3.01Å | |||
| 875 | R | 53.4 | Low | 60.8 | Low | 195 Ų | 195 | 75.6 Ų | 75.6 | 74% | 0.736 | 43% | 0.431 | S | S | * | . | trans | -44.9 | 127.3 | -178.5 | -69.7 | -171.6 | 173.7 | 110 | -1.8 | 111.3 | G877 Q878 | R875-G877 PolarHBondContact O-N 3.21Å; R875-Q878 HydrophobicContact CB-CG 4.47Å; R875-Q878 WeakPolarHBondContact O-CB 3.26Å; R875-Q878 PolarHBondContact O-N 2.97Å | ||
| 876 | P | 48.5 | Very low | 60.6 | Low | 143 Ų | 143 | 76.9 Ų | 76.9 | 93% | 0.929 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -38.4 | 104 | 175 | -5.5 | 13.6 | 0 | 0 | 0 | 111.6 | ||
| 877 | G | 54.9 | Low | 60.3 | Low | 35 Ų | 35 | 77.7 Ų | 77.7 | 36% | 0.361 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 122.6 | -0.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | R875 E888 Q889 | R875-G877 PolarHBondContact O-N 3.21Å; G877-E888 CarbonylContact O-C 3.36Å; G877-Q889 VanDerWaalsContact O-CA 3.25Å; G877-Q889 WeakPolarHBondContact O-CA 3.33Å; G877-Q889 WeakPolarHBondContact O-CB 3.43Å; G877-Q889 PolarHBondContact O-N 3.02Å |
| 878 | Q | 68.2 | Low | 60.2 | Low | 63 Ų | 63 | 78.9 Ų | 78.9 | 29% | 0.294 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 125.2 | 179.5 | -69.1 | -175.1 | -11 | 0 | 0 | 109.2 | C874 R875 I887 E888 | C874-Q878 HydrophobicContact CB-CB 3.89Å; R875-Q878 HydrophobicContact CB-CG 4.47Å; R875-Q878 WeakPolarHBondContact O-CB 3.26Å; R875-Q878 PolarHBondContact O-N 2.97Å; Q878-I887 CarbonylContact C-O 3.42Å; Q878-I887 WeakPolarHBondContact CA-O 2.9Å; Q878-I887 VanDerWaalsContact CB-O 3.3Å; Q878-I887 WeakPolarHBondContact CB-O 3.22Å; Q878-E888 HydrophobicContact CG-CG 4.14Å |
| 879 | Y | 64.8 | Low | 60.1 | Low | 53 Ų | 53 | 79.2 Ų | 79.2 | 21% | 0.208 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 123.8 | 178.1 | 172.9 | -102.4 | 0 | 0 | 0 | 110 | C886 I887 R892 S903 D904 | Y879-C886 CarbonylContact O-C 3.48Å; Y879-I887 CarbonylContact C-O 3.6Å; Y879-I887 VanDerWaalsContact CA-O 3.28Å; Y879-I887 WeakPolarHBondContact CA-O 3.1Å; Y879-I887 HydrophobicContact CD1-CD1 3.91Å; Y879-I887 HydrophobicContact CD1-CG1 3.92Å; Y879-I887 PolarHBondContact N-O 3.04Å; Y879-I887 WeakPolarHBondContact O-CG1 2.84Å; Y879-I887 PolarHBondContact O-N 2.95Å; Y879-R892 HydrophobicContact CD1-CB 4.32Å; Y879-R892 HydrophobicContact CD1-CG 4.35Å; Y879-R892 VanDerWaalsContact CD2-CD 3.48Å; Y879-R892 HydrophobicContact CD2-CG 4.22Å; Y879-R892 HydrophobicContact CE1-CG 4.45Å; Y879-R892 HydrophobicContact CE2-CG 4.32Å; Y879-R892 HydrophobicContact CG-CB 4.14Å; Y879-R892 HydrophobicContact CG-CG 4.23Å; Y879-S903 PolarHBondContact OH-O 3.2Å; Y879-D904 HydrophobicContact CD1-CB 4.42Å; Y879-D904 HydrophobicContact CE1-CB 4.16Å |
| 880 | Q | 73.4 | Confident | 60.9 | Low | 69 Ų | 69 | 81 Ų | 81 | 32% | 0.322 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 118.9 | 179.9 | -168.3 | 174 | 4.4 | 0 | 0 | 110.1 | P872 E885 | P872-Q880 PolarHBondContact O-NE2 3.03Å; P872-Q880 PolarHBondContact O-OE1 3.05Å; Q880-E885 CarbonylContact C-O 3.56Å |
| 881 | C | 68.2 | Low | 61.8 | Low | 3 Ų | 3 | 81.7 Ų | 81.7 | 2% | 0.02 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 0 | 176.9 | -81.9 | 0 | 0 | 0 | 0 | 109.9 | S883 G884 E885 C899 | C881-S883 PolarHBondContact O-N 2.84Å; C881-G884 WeakPolarHBondContact O-CA 3.06Å; C881-G884 PolarHBondContact O-N 3.47Å; C881-E885 HydrophobicContact CB-CB 4.27Å; C881-E885 VanDerWaalsContact CB-O 3.28Å; C881-E885 WeakPolarHBondContact CB-O 3.34Å; C881-E885 PolarHBondContact N-O 1.66Å; C881-C899 WeakPolarHBondContact CA-SG 3.49Å; C881-C899 HydrophobicContact CB-CB 3.44Å; C881-C899 VanDerWaalsContact CB-CB 3.44Å; C881-C899 CovalentContact CB-SG 1.64Å; C881-C899 WeakPolarHBondContact CB-SG 3.38Å; C881-C899 WeakPolarHBondContact SG-CA 3.15Å; C881-C899 WeakPolarHBondContact SG-CB 3.45Å; C881-C899 CovalentContact SG-SG 1.55Å; C881-C899 PolarHBondContact SG-SG 1.66Å |
| 882 | S | 66.5 | Low | 62.4 | Low | 86 Ų | 86 | 82 Ų | 82 | 60% | 0.601 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | -21.5 | 0 | -29.2 | 0 | 0 | 0 | 0 | 111.2 | S903 | S882-S903 WeakPolarHBondContact CB-OG 3.48Å; S882-S903 WeakPolarHBondContact OG-CB 2.89Å; S882-S903 PolarHBondContact OG-OG 2.83Å | |
| 883 | S | 61.1 | Low | 63.8 | Low | 52 Ų | 52 | 80.6 Ų | 80.6 | 36% | 0.364 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -0.3 | 176.8 | 62.9 | 0 | 0 | 0 | 0 | 111.1 | C881 | C881-S883 PolarHBondContact O-N 2.84Š|
| 884 | G | 62.4 | Low | 64.5 | Low | 47 Ų | 47 | 74.7 Ų | 74.7 | 49% | 0.485 | 40% | 0.399 | S | S | . | . | S | Bend | trans | 101.8 | 0 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | C881 | C881-G884 WeakPolarHBondContact O-CA 3.06Å; C881-G884 PolarHBondContact O-N 3.47Å |
| 885 | E | 67.7 | Low | 65.1 | Low | 101 Ų | 101 | 75.4 Ų | 75.4 | 47% | 0.472 | 41% | 0.412 | S | S | . | . | 0 | 141.9 | 0 | -51.8 | -119.2 | 170 | 0 | 0 | 110.5 | Q880 C881 | Q880-E885 CarbonylContact C-O 3.56Å; C881-E885 HydrophobicContact CB-CB 4.27Å; C881-E885 VanDerWaalsContact CB-O 3.28Å; C881-E885 WeakPolarHBondContact CB-O 3.34Å; C881-E885 PolarHBondContact N-O 1.66Å | |||
| 886 | C | 70.4 | Confident | 65.7 | Low | 45 Ų | 45 | 74.3 Ų | 74.3 | 30% | 0.304 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 0 | -175 | -67 | 0 | 0 | 0 | 0 | 109.7 | R873 C874 Y879 | R873-C886 PolarHBondContact O-SG 2.76Å; C874-C886 WeakPolarHBondContact CA-SG 3.48Å; C874-C886 HydrophobicContact CB-CB 2.99Å; C874-C886 WeakPolarHBondContact CB-SG 3.45Å; C874-C886 PolarHBondContact N-SG 3.31Å; C874-C886 VanDerWaalsContact N-SG 3.42Å; C874-C886 WeakPolarHBondContact SG-CA 3.5Å; C874-C886 WeakPolarHBondContact SG-CB 3.02Å; C874-C886 CovalentContact SG-SG 1.05Å; C874-C886 PolarHBondContact SG-SG 3.01Å; Y879-C886 CarbonylContact O-C 3.48Å |
| 887 | I | 69.7 | Low | 66.7 | Low | 22 Ų | 22 | 74.3 Ų | 74.3 | 11% | 0.113 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 151 | 0 | 57.4 | 169.3 | 0 | 0 | 0 | 109.4 | Q878 Y879 Q889 M891 D898 D904 | Q878-I887 CarbonylContact C-O 3.42Å; Q878-I887 WeakPolarHBondContact CA-O 2.9Å; Q878-I887 VanDerWaalsContact CB-O 3.3Å; Q878-I887 WeakPolarHBondContact CB-O 3.22Å; Y879-I887 CarbonylContact C-O 3.6Å; Y879-I887 VanDerWaalsContact CA-O 3.28Å; Y879-I887 WeakPolarHBondContact CA-O 3.1Å; Y879-I887 HydrophobicContact CD1-CD1 3.91Å; Y879-I887 HydrophobicContact CD1-CG1 3.92Å; Y879-I887 PolarHBondContact N-O 3.04Å; Y879-I887 WeakPolarHBondContact O-CG1 2.84Å; Y879-I887 PolarHBondContact O-N 2.95Å; I887-Q889 PolarHBondContact O-N 3.07Å; I887-M891 HydrophobicContact CB-CB 3.97Å; I887-M891 HydrophobicContact CD1-CB 3.69Å; I887-M891 HydrophobicContact CG1-CB 4.17Å; I887-D898 HydrophobicContact CD1-CB 4.06Å; I887-D898 HydrophobicContact CG2-CB 4.2Å; I887-D904 HydrophobicContact CD1-CB 3.39Å | |
| 888 | E | 71.5 | Confident | 67.3 | Low | 95 Ų | 95 | 75 Ų | 75 | 44% | 0.444 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 0 | -179.5 | -82.2 | -154 | -174.9 | 0 | 0 | 110.8 | G877 Q878 Q890 M891 | G877-E888 CarbonylContact O-C 3.36Å; Q878-E888 HydrophobicContact CG-CG 4.14Å; E888-Q890 HydrophobicContact CB-CG 3.7Å; E888-Q890 CarbonylContact O-C 3.5Å; E888-Q890 PolarHBondContact O-N 3.11Å; E888-Q890 PolarHBondContact OE2-NE2 3.44Å; E888-M891 HydrophobicContact CB-CG 4.11Å; E888-M891 VanDerWaalsContact O-CA 3.29Å; E888-M891 WeakPolarHBondContact O-CA 3.36Å; E888-M891 WeakPolarHBondContact O-CB 3.41Å; E888-M891 WeakPolarHBondContact O-CG 2.84Å; E888-M891 PolarHBondContact O-N 3.18Å |
| 889 | Q | 66.7 | Low | 67.6 | Low | 127 Ų | 127 | 72.1 Ų | 72.1 | 59% | 0.593 | 38% | 0.377 | S | S | * | . | G | 310 helix | 0 | -25.4 | 0 | -154.6 | 149.1 | 31.7 | 0 | 0 | 111.6 | G877 I887 M891 R892 | G877-Q889 VanDerWaalsContact O-CA 3.25Å; G877-Q889 WeakPolarHBondContact O-CA 3.33Å; G877-Q889 WeakPolarHBondContact O-CB 3.43Å; G877-Q889 PolarHBondContact O-N 3.02Å; I887-Q889 PolarHBondContact O-N 3.07Å; Q889-M891 PolarHBondContact O-N 3.11Å; Q889-R892 WeakPolarHBondContact O-CB 3.07Å; Q889-R892 PolarHBondContact O-N 2.98Å | |
| 890 | Q | 70.7 | Confident | 68 | Low | 138 Ų | 138 | 80 Ų | 80 | 65% | 0.645 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -76.6 | -13 | -179.4 | 47.3 | -169.2 | -11.6 | 0 | 0 | 111.2 | E888 | E888-Q890 HydrophobicContact CB-CG 3.7Å; E888-Q890 CarbonylContact O-C 3.5Å; E888-Q890 PolarHBondContact O-N 3.11Å; E888-Q890 PolarHBondContact OE2-NE2 3.44Å |
| 891 | M | 70.6 | Confident | 67.7 | Low | 57 Ų | 57 | 81.7 Ų | 81.7 | 28% | 0.281 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -96.5 | -0.8 | -174.9 | -63.5 | -88.2 | -88.4 | 0 | 0 | 109.6 | I887 E888 Q889 D894 D898 | I887-M891 HydrophobicContact CB-CB 3.97Å; I887-M891 HydrophobicContact CD1-CB 3.69Å; I887-M891 HydrophobicContact CG1-CB 4.17Å; E888-M891 HydrophobicContact CB-CG 4.11Å; E888-M891 VanDerWaalsContact O-CA 3.29Å; E888-M891 WeakPolarHBondContact O-CA 3.36Å; E888-M891 WeakPolarHBondContact O-CB 3.41Å; E888-M891 WeakPolarHBondContact O-CG 2.84Å; E888-M891 PolarHBondContact O-N 3.18Å; Q889-M891 PolarHBondContact O-N 3.11Å; M891-D894 WeakPolarHBondContact CA-OD2 3.44Å; M891-D898 WeakPolarHBondContact CB-OD2 3.3Å; M891-D898 HydrophobicContact CE-CB 4.11Å; M891-D898 WeakPolarHBondContact CE-OD1 3.44Å; M891-D898 WeakPolarHBondContact CE-OD2 3.19Å |
| 892 | R | 59.8 | Low | 67.5 | Low | 112 Ų | 112 | 82.4 Ų | 82.4 | 42% | 0.423 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 113.1 | 165.4 | -172 | 179.2 | -175.5 | -129.8 | 1.1 | 111 | Y879 Q889 | Y879-R892 HydrophobicContact CD1-CB 4.32Å; Y879-R892 HydrophobicContact CD1-CG 4.35Å; Y879-R892 VanDerWaalsContact CD2-CD 3.48Å; Y879-R892 HydrophobicContact CD2-CG 4.22Å; Y879-R892 HydrophobicContact CE1-CG 4.45Å; Y879-R892 HydrophobicContact CE2-CG 4.32Å; Y879-R892 HydrophobicContact CG-CB 4.14Å; Y879-R892 HydrophobicContact CG-CG 4.23Å; Q889-R892 WeakPolarHBondContact O-CB 3.07Å; Q889-R892 PolarHBondContact O-N 2.98Å |
| 893 | C | 71.8 | Confident | 67.6 | Low | 49 Ų | 49 | 78.6 Ų | 78.6 | 33% | 0.331 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 0 | 175.7 | -65.5 | 0 | 0 | 0 | 0 | 110.3 | D904 C908 | C893-D904 PolarHBondContact N-O 3.32Å; C893-C908 HydrophobicContact CB-CB 3.72Å; C893-C908 WeakPolarHBondContact CB-SG 3.41Å; C893-C908 WeakPolarHBondContact SG-CA 3.33Å; C893-C908 WeakPolarHBondContact SG-CB 3.48Å; C893-C908 CovalentContact SG-SG 2.03Å; C893-C908 PolarHBondContact SG-SG 2.34Å |
| 894 | D | 63.9 | Low | 68.1 | Low | 46 Ų | 46 | 76.1 Ų | 76.1 | 25% | 0.246 | 38% | 0.38 | C | S | . | . | S | Bend | 0 | 0 | 0 | 63.1 | -13.1 | 0 | 0 | 0 | 110 | M891 R896 D898 E905 | M891-D894 WeakPolarHBondContact CA-OD2 3.44Å; D894-R896 PolarHBondContact O-N 3.15Å; D894-R896 PolarHBondContact OD1-N 3.34Å; D894-R896 IonicContact OD2-NE 3.72Å; D894-D898 VanDerWaalsContact OD1-OD2 3.13Å; D894-D898 VanDerWaalsContact OD2-OD2 3.11Å; D894-E905 PolarHBondContact N-OE1 2.58Å | |
| 895 | G | 63.8 | Low | 68.6 | Low | 46 Ų | 46 | 76 Ų | 76 | 47% | 0.474 | 37% | 0.367 | S | S | . | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.8 | E905 R911 | G895-E905 PolarHBondContact N-OE1 3.25Å; G895-R911 VanDerWaalsContact CA-NH2 3.29Å | |
| 896 | R | 65.4 | Low | 68.5 | Low | 171 Ų | 171 | 75.2 Ų | 75.2 | 65% | 0.645 | 37% | 0.369 | S | S | * | . | S | Bend | 0 | 124.6 | 0 | -48.8 | -169.7 | -104.2 | -153.8 | 0.3 | 109.2 | D894 D898 E905 | D894-R896 PolarHBondContact O-N 3.15Å; D894-R896 PolarHBondContact OD1-N 3.34Å; D894-R896 IonicContact OD2-NE 3.72Å; R896-D898 PolarHBondContact O-N 3.08Å; R896-E905 PolarHBondContact N-OE1 3.45Å | |
| 897 | Q | 69.7 | Low | 67.9 | Low | 144 Ų | 144 | 76.8 Ų | 76.8 | 67% | 0.673 | 39% | 0.393 | S | S | * | . | trans | -63 | 87.4 | 176 | -136.4 | 179.9 | 20.9 | 0 | 0 | 110.8 | A902 | Q897-A902 HydrophobicContact CG-CB 3.37Š| ||
| 898 | D | 68 | Low | 67.4 | Low | 48 Ų | 48 | 77.4 Ų | 77.4 | 26% | 0.257 | 40% | 0.399 | S | S | . | . | trans | -90.5 | 0 | -177.5 | -64.1 | -48.3 | 0 | 0 | 0 | 110.4 | I887 M891 D894 R896 D904 | I887-D898 HydrophobicContact CD1-CB 4.06Å; I887-D898 HydrophobicContact CG2-CB 4.2Å; M891-D898 WeakPolarHBondContact CB-OD2 3.3Å; M891-D898 HydrophobicContact CE-CB 4.11Å; M891-D898 WeakPolarHBondContact CE-OD1 3.44Å; M891-D898 WeakPolarHBondContact CE-OD2 3.19Å; D894-D898 VanDerWaalsContact OD1-OD2 3.13Å; D894-D898 VanDerWaalsContact OD2-OD2 3.11Å; R896-D898 PolarHBondContact O-N 3.08Å; D898-D904 WeakPolarHBondContact CA-OD2 3.44Å; D898-D904 WeakPolarHBondContact CB-OD2 3.3Å; D898-D904 VanDerWaalsContact N-CG 3.34Å; D898-D904 PolarHBondContact N-OD1 3.27Å; D898-D904 PolarHBondContact N-OD2 2.87Å | ||
| 899 | C | 73.5 | Confident | 66.4 | Low | 3 Ų | 3 | 77.7 Ų | 77.7 | 2% | 0.02 | 41% | 0.409 | C | S | . | . | S | Bend | 0 | 0 | 0 | -132.2 | 0 | 0 | 0 | 0 | 109.2 | C881 D901 A902 D904 | C881-C899 WeakPolarHBondContact CA-SG 3.49Å; C881-C899 HydrophobicContact CB-CB 3.44Å; C881-C899 VanDerWaalsContact CB-CB 3.44Å; C881-C899 CovalentContact CB-SG 1.64Å; C881-C899 WeakPolarHBondContact CB-SG 3.38Å; C881-C899 WeakPolarHBondContact SG-CA 3.15Å; C881-C899 WeakPolarHBondContact SG-CB 3.45Å; C881-C899 CovalentContact SG-SG 1.55Å; C881-C899 PolarHBondContact SG-SG 1.66Å; C899-D901 PolarHBondContact O-N 2.85Å; C899-D901 VanDerWaalsContact O-N 3.11Å; C899-A902 VanDerWaalsContact C-N 3.35Å; C899-A902 WeakPolarHBondContact O-CA 2.93Å; C899-A902 PolarHBondContact O-N 3.49Å; C899-D904 HydrophobicContact CB-CB 3.91Å; C899-D904 PolarHBondContact N-OD1 3.01Å | |
| 900 | R | 72.3 | Confident | 65.4 | Low | 218 Ų | 218 | 74.9 Ų | 74.9 | 82% | 0.823 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -96.6 | -178.6 | 174.7 | 169 | 1.4 | 111.4 | |||
| 901 | D | 67.8 | Low | 64.4 | Low | 105 Ų | 105 | 77 Ų | 77 | 56% | 0.561 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 16.9 | 0 | -147.5 | 3.7 | 0 | 0 | 0 | 110.2 | C899 S903 | C899-D901 PolarHBondContact O-N 2.85Å; C899-D901 VanDerWaalsContact O-N 3.11Å; D901-S903 PolarHBondContact O-N 3.05Å; D901-S903 VanDerWaalsContact O-N 3.07Å | |
| 902 | A | 64.1 | Low | 63.4 | Low | 18 Ų | 18 | 75.2 Ų | 75.2 | 15% | 0.149 | 40% | 0.397 | C | S | . | . | S | Bend | trans | 50.9 | 26.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q897 C899 D904 E905 T906 | Q897-A902 HydrophobicContact CG-CB 3.37Å; C899-A902 VanDerWaalsContact C-N 3.35Å; C899-A902 WeakPolarHBondContact O-CA 2.93Å; C899-A902 PolarHBondContact O-N 3.49Å; A902-D904 PolarHBondContact O-N 3.13Å; A902-E905 PolarHBondContact O-N 2.81Å; A902-E905 VanDerWaalsContact O-N 3.09Å; A902-T906 WeakPolarHBondContact O-CG2 2.96Å |
| 903 | S | 68.6 | Low | 63 | Low | 6 Ų | 6 | 78.8 Ų | 78.8 | 4% | 0.042 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -72.7 | -23.7 | -179.2 | -62 | 0 | 0 | 0 | 0 | 111 | Y879 S882 D901 E905 T906 | Y879-S903 PolarHBondContact OH-O 3.2Å; S882-S903 WeakPolarHBondContact CB-OG 3.48Å; S882-S903 WeakPolarHBondContact OG-CB 2.89Å; S882-S903 PolarHBondContact OG-OG 2.83Å; D901-S903 PolarHBondContact O-N 3.05Å; D901-S903 VanDerWaalsContact O-N 3.07Å; S903-E905 PolarHBondContact O-N 2.7Å; S903-T906 WeakPolarHBondContact CA-OG1 3.21Å; S903-T906 PolarHBondContact O-N 1.57Å; S903-T906 PolarHBondContact O-OG1 3.06Å |
| 904 | D | 72.4 | Confident | 61.9 | Low | 0 Ų | 0 | 83.3 Ų | 83.3 | 0% | 0 | 44% | 0.439 | C | S | . | . | G | 310 helix | trans | -69.4 | 0 | 179.7 | 71.7 | -37.4 | 0 | 0 | 0 | 110.7 | Y879 I887 C893 D898 C899 A902 | Y879-D904 HydrophobicContact CD1-CB 4.42Å; Y879-D904 HydrophobicContact CE1-CB 4.16Å; I887-D904 HydrophobicContact CD1-CB 3.39Å; C893-D904 PolarHBondContact N-O 3.32Å; D898-D904 WeakPolarHBondContact CA-OD2 3.44Å; D898-D904 WeakPolarHBondContact CB-OD2 3.3Å; D898-D904 VanDerWaalsContact N-CG 3.34Å; D898-D904 PolarHBondContact N-OD1 3.27Å; D898-D904 PolarHBondContact N-OD2 2.87Å; C899-D904 HydrophobicContact CB-CB 3.91Å; C899-D904 PolarHBondContact N-OD1 3.01Å; A902-D904 PolarHBondContact O-N 3.13Å |
| 905 | E | 72.4 | Confident | 61.4 | Low | 44 Ų | 44 | 82.7 Ų | 82.7 | 21% | 0.206 | 44% | 0.443 | C | S | . | . | G | 310 helix | 0 | 0 | 0 | -61.7 | -82.2 | 166.4 | 0 | 0 | 110.1 | D894 G895 R896 A902 S903 R911 | D894-E905 PolarHBondContact N-OE1 2.58Å; G895-E905 PolarHBondContact N-OE1 3.25Å; R896-E905 PolarHBondContact N-OE1 3.45Å; A902-E905 PolarHBondContact O-N 2.81Å; A902-E905 VanDerWaalsContact O-N 3.09Å; S903-E905 PolarHBondContact O-N 2.7Å; E905-R911 IonicContact OE2-NH2 3.11Å; E905-R911 PolarHBondContact OE2-NH2 3.2Å | |
| 906 | T | 66.2 | Low | 61.6 | Low | 86 Ų | 86 | 82.7 Ų | 82.7 | 53% | 0.528 | 43% | 0.431 | S | S | . | . | S | Bend | 0 | 0 | 0 | 54.4 | 0 | 0 | 0 | 0 | 109.8 | A902 S903 | A902-T906 WeakPolarHBondContact O-CG2 2.96Å; S903-T906 WeakPolarHBondContact CA-OG1 3.21Å; S903-T906 PolarHBondContact O-N 1.57Å; S903-T906 PolarHBondContact O-OG1 3.06Å | |
| 907 | G | 57.2 | Low | 61.6 | Low | 77 Ų | 77 | 77 Ų | 77 | 79% | 0.794 | 41% | 0.41 | S | S | * | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||
| 908 | C | 58.1 | Low | 61.8 | Low | 35 Ų | 35 | 74 Ų | 74 | 24% | 0.236 | 40% | 0.396 | C | S | . | . | 0 | 115.1 | 0 | -64.4 | 0 | 0 | 0 | 0 | 109.7 | C893 | C893-C908 HydrophobicContact CB-CB 3.72Å; C893-C908 WeakPolarHBondContact CB-SG 3.41Å; C893-C908 WeakPolarHBondContact SG-CA 3.33Å; C893-C908 WeakPolarHBondContact SG-CB 3.48Å; C893-C908 CovalentContact SG-SG 2.03Å; C893-C908 PolarHBondContact SG-SG 2.34Å | |||
| 909 | P | 50.4 | Low | 61.8 | Low | 101 Ų | 101 | 71.8 Ų | 71.8 | 66% | 0.656 | 38% | 0.384 | S | S | * | . | trans | -53.3 | 0 | 178.9 | 1.8 | 0.9 | 0 | 0 | 0 | 111.8 | ||||
| 910 | P | 47.4 | Very low | 61.5 | Low | 69 Ų | 69 | 75.9 Ų | 75.9 | 45% | 0.448 | 41% | 0.413 | S | S | . | . | 0 | 116 | 0 | 4.8 | 5 | 0 | 0 | 0 | 111.9 | C912 Q918 | P910-C912 VanDerWaalsContact C-N 3.28Å; P910-C912 PolarHBondContact O-N 1.57Å; P910-C912 VanDerWaalsContact O-N 3.11Å; P910-Q918 HydrophobicContact CB-CB 4.47Å; P910-Q918 HydrophobicContact CB-CG 3.9Å | |||
| 911 | R | 49 | Very low | 61 | Low | 181 Ų | 181 | 67.9 Ų | 67.9 | 68% | 0.683 | 39% | 0.39 | S | S | * | . | trans | -41.5 | 0 | 171.7 | -80.2 | -167.4 | 172.7 | 156.3 | -0.9 | 111.3 | G895 E905 C924 | G895-R911 VanDerWaalsContact CA-NH2 3.29Å; E905-R911 IonicContact OE2-NH2 3.11Å; E905-R911 PolarHBondContact OE2-NH2 3.2Å; R911-C924 WeakPolarHBondContact O-CB 3.25Å; R911-C924 PolarHBondContact O-SG 2.89Å | ||
| 912 | C | 48.9 | Very low | 60.7 | Low | 21 Ų | 21 | 65.2 Ų | 65.2 | 14% | 0.142 | 39% | 0.388 | C | S | . | . | 0 | 118.8 | 0 | -65.5 | 0 | 0 | 0 | 0 | 109.4 | P910 Q916 C924 | P910-C912 VanDerWaalsContact C-N 3.28Å; P910-C912 PolarHBondContact O-N 1.57Å; P910-C912 VanDerWaalsContact O-N 3.11Å; C912-Q916 HydrophobicContact CB-CB 3.29Å; C912-Q916 WeakPolarHBondContact CB-O 2.89Å; C912-C924 HydrophobicContact CB-CB 3.39Å; C912-C924 WeakPolarHBondContact CB-SG 3.23Å; C912-C924 WeakPolarHBondContact SG-CA 3.49Å; C912-C924 CovalentContact SG-CB 2.05Å; C912-C924 WeakPolarHBondContact SG-CB 3.19Å; C912-C924 CovalentContact SG-SG 1.72Å; C912-C924 PolarHBondContact SG-SG 2.83Å | |||
| 913 | R | 51.4 | Low | 60.9 | Low | 187 Ų | 187 | 69.7 Ų | 69.7 | 71% | 0.706 | 41% | 0.406 | S | S | * | . | trans | -33.6 | 123 | 178.1 | -67.5 | -172.2 | 170 | 101.4 | -2.3 | 111.4 | G915 Q916 | R913-G915 CarbonylContact O-C 3.48Å; R913-G915 PolarHBondContact O-N 2.72Å; R913-Q916 HydrophobicContact CB-CG 4Å; R913-Q916 WeakPolarHBondContact O-CB 3.04Å; R913-Q916 PolarHBondContact O-N 3.49Å | ||
| 914 | P | 48.8 | Very low | 60.9 | Low | 144 Ų | 144 | 71.8 Ų | 71.8 | 94% | 0.935 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -32.5 | 93.8 | 171.7 | -6.3 | 14.1 | 0 | 0 | 0 | 111.7 | ||
| 915 | G | 54.5 | Low | 60.7 | Low | 32 Ų | 32 | 72.4 Ų | 72.4 | 33% | 0.33 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 129.6 | 1.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | R913 E926 Q927 | R913-G915 CarbonylContact O-C 3.48Å; R913-G915 PolarHBondContact O-N 2.72Å; G915-E926 CarbonylContact O-C 2.94Å; G915-Q927 VanDerWaalsContact C-CB 3.43Å; G915-Q927 WeakPolarHBondContact O-CA 3.13Å; G915-Q927 WeakPolarHBondContact O-CB 3.38Å; G915-Q927 PolarHBondContact O-N 2.72Å |
| 916 | Q | 68.4 | Low | 60.6 | Low | 47 Ų | 47 | 74.6 Ų | 74.6 | 22% | 0.22 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 129.9 | 177.3 | -68.1 | -174.3 | -12.4 | 0 | 0 | 109.2 | C912 R913 I925 E926 | C912-Q916 HydrophobicContact CB-CB 3.29Å; C912-Q916 WeakPolarHBondContact CB-O 2.89Å; R913-Q916 HydrophobicContact CB-CG 4Å; R913-Q916 WeakPolarHBondContact O-CB 3.04Å; R913-Q916 PolarHBondContact O-N 3.49Å; Q916-I925 CarbonylContact C-O 3.15Å; Q916-I925 WeakPolarHBondContact CA-O 3.46Å; Q916-I925 WeakPolarHBondContact CB-O 3.32Å; Q916-E926 HydrophobicContact CG-CG 4.03Å |
| 917 | Y | 64.6 | Low | 60.5 | Low | 52 Ų | 52 | 75.9 Ų | 75.9 | 20% | 0.204 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 125.2 | -179.2 | 173.3 | -102.2 | 0 | 0 | 0 | 109.3 | I925 R930 S941 D942 | Y917-I925 WeakPolarHBondContact CA-O 3.17Å; Y917-I925 HydrophobicContact CD1-CD1 3.86Å; Y917-I925 HydrophobicContact CD1-CG1 3.95Å; Y917-I925 PolarHBondContact N-O 3.14Å; Y917-I925 WeakPolarHBondContact O-CG1 3.02Å; Y917-I925 PolarHBondContact O-N 2.83Å; Y917-I925 VanDerWaalsContact O-O 3.05Å; Y917-R930 HydrophobicContact CD1-CB 4.15Å; Y917-R930 HydrophobicContact CD1-CG 4.16Å; Y917-R930 HydrophobicContact CD2-CB 4.45Å; Y917-R930 HydrophobicContact CD2-CG 4.07Å; Y917-R930 HydrophobicContact CE1-CG 4.34Å; Y917-R930 HydrophobicContact CE2-CG 4.25Å; Y917-R930 HydrophobicContact CG-CB 3.97Å; Y917-R930 HydrophobicContact CG-CG 4.01Å; Y917-S941 PolarHBondContact OH-O 3.21Å; Y917-D942 HydrophobicContact CD1-CB 4.47Å; Y917-D942 HydrophobicContact CE1-CB 4.23Å |
| 918 | Q | 73.2 | Confident | 61.1 | Low | 79 Ų | 79 | 78.7 Ų | 78.7 | 37% | 0.369 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 116 | -178.5 | -168.4 | 172.9 | 3.8 | 0 | 0 | 110.1 | P910 | P910-Q918 HydrophobicContact CB-CB 4.47Å; P910-Q918 HydrophobicContact CB-CG 3.9Å |
| 919 | C | 68.7 | Low | 61.6 | Low | 3 Ų | 3 | 80 Ų | 80 | 2% | 0.02 | 43% | 0.429 | C | S | . | . | trans | -68.6 | 0 | 176.8 | -80.7 | 0 | 0 | 0 | 0 | 110.5 | S921 G922 E923 C937 | C919-S921 PolarHBondContact O-N 2.64Å; C919-G922 PolarHBondContact O-N 2.8Å; C919-E923 HydrophobicContact CB-CB 4.34Å; C919-E923 WeakPolarHBondContact CB-O 3.29Å; C919-E923 PolarHBondContact N-O 3.05Å; C919-C937 VanDerWaalsContact C-SG 3.55Å; C919-C937 WeakPolarHBondContact CA-SG 3.5Å; C919-C937 HydrophobicContact CB-CB 3.52Å; C919-C937 CovalentContact CB-SG 1.75Å; C919-C937 WeakPolarHBondContact CB-SG 3.39Å; C919-C937 WeakPolarHBondContact SG-CA 3.45Å; C919-C937 WeakPolarHBondContact SG-CB 3.43Å; C919-C937 CovalentContact SG-SG 1.76Å; C919-C937 PolarHBondContact SG-SG 2.81Å | ||
| 920 | S | 66.8 | Low | 62.1 | Low | 88 Ų | 88 | 80 Ų | 80 | 62% | 0.615 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | -19.1 | 0 | -38.4 | 0 | 0 | 0 | 0 | 110.6 | S941 | S920-S941 WeakPolarHBondContact CB-OG 2.25Å; S920-S941 WeakPolarHBondContact OG-CB 2.94Å; S920-S941 PolarHBondContact OG-OG 2.98Å | |
| 921 | S | 61 | Low | 63.2 | Low | 51 Ų | 51 | 77.9 Ų | 77.9 | 36% | 0.357 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 3.8 | 178 | 62.3 | 0 | 0 | 0 | 0 | 111 | C919 | C919-S921 PolarHBondContact O-N 2.64Š|
| 922 | G | 62.6 | Low | 63.9 | Low | 49 Ų | 49 | 71.3 Ų | 71.3 | 51% | 0.505 | 38% | 0.381 | S | S | . | . | S | Bend | trans | 97.9 | 1.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | C919 | C919-G922 PolarHBondContact O-N 2.8Š|
| 923 | E | 67.6 | Low | 64.6 | Low | 112 Ų | 112 | 72.6 Ų | 72.6 | 52% | 0.523 | 40% | 0.398 | S | S | . | . | trans | -95.6 | 139.6 | 177 | -49.6 | -97.9 | 168.3 | 0 | 0 | 110.5 | C919 | C919-E923 HydrophobicContact CB-CB 4.34Å; C919-E923 WeakPolarHBondContact CB-O 3.29Å; C919-E923 PolarHBondContact N-O 3.05Å | ||
| 924 | C | 68.7 | Low | 65.3 | Low | 50 Ų | 50 | 71.9 Ų | 71.9 | 34% | 0.338 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 0 | -176.8 | -66.8 | 0 | 0 | 0 | 0 | 109.8 | R911 C912 | R911-C924 WeakPolarHBondContact O-CB 3.25Å; R911-C924 PolarHBondContact O-SG 2.89Å; C912-C924 HydrophobicContact CB-CB 3.39Å; C912-C924 WeakPolarHBondContact CB-SG 3.23Å; C912-C924 WeakPolarHBondContact SG-CA 3.49Å; C912-C924 CovalentContact SG-CB 2.05Å; C912-C924 WeakPolarHBondContact SG-CB 3.19Å; C912-C924 CovalentContact SG-SG 1.72Å; C912-C924 PolarHBondContact SG-SG 2.83Å |
| 925 | I | 68.4 | Low | 66.3 | Low | 13 Ų | 13 | 71.3 Ų | 71.3 | 7% | 0.067 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 142.7 | 0 | 55 | 169.6 | 0 | 0 | 0 | 109.2 | Q916 Y917 Q927 M929 D936 D942 | Q916-I925 CarbonylContact C-O 3.15Å; Q916-I925 WeakPolarHBondContact CA-O 3.46Å; Q916-I925 WeakPolarHBondContact CB-O 3.32Å; Y917-I925 WeakPolarHBondContact CA-O 3.17Å; Y917-I925 HydrophobicContact CD1-CD1 3.86Å; Y917-I925 HydrophobicContact CD1-CG1 3.95Å; Y917-I925 PolarHBondContact N-O 3.14Å; Y917-I925 WeakPolarHBondContact O-CG1 3.02Å; Y917-I925 PolarHBondContact O-N 2.83Å; Y917-I925 VanDerWaalsContact O-O 3.05Å; I925-Q927 PolarHBondContact O-N 2.72Å; I925-M929 HydrophobicContact CB-CB 3.74Å; I925-M929 HydrophobicContact CB-CE 3.95Å; I925-M929 HydrophobicContact CB-CG 4.38Å; I925-M929 HydrophobicContact CD1-CB 3.72Å; I925-M929 WeakPolarHBondContact CD1-O 3.35Å; I925-M929 HydrophobicContact CG1-CB 4.09Å; I925-M929 HydrophobicContact CG2-CE 3.85Å; I925-D936 HydrophobicContact CD1-CB 4.2Å; I925-D936 HydrophobicContact CG2-CB 4.21Å; I925-D942 HydrophobicContact CD1-CB 3.41Å; I925-D942 VanDerWaalsContact CD1-CB 3.41Å | |
| 926 | E | 70 | Confident | 66.9 | Low | 90 Ų | 90 | 72.2 Ų | 72.2 | 42% | 0.421 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.9 | 0 | 178.4 | -83.2 | -149.9 | -175.8 | 0 | 0 | 111.1 | G915 Q916 Q928 M929 | G915-E926 CarbonylContact O-C 2.94Å; Q916-E926 HydrophobicContact CG-CG 4.03Å; E926-Q928 HydrophobicContact CB-CG 3.54Å; E926-Q928 CarbonylContact O-C 3.59Å; E926-Q928 PolarHBondContact O-N 3.46Å; E926-Q928 PolarHBondContact OE2-NE2 2.84Å; E926-M929 HydrophobicContact CB-CG 4.16Å; E926-M929 VanDerWaalsContact O-CA 3.24Å; E926-M929 WeakPolarHBondContact O-CA 2.74Å; E926-M929 WeakPolarHBondContact O-CB 3.08Å; E926-M929 PolarHBondContact O-N 2.96Å |
| 927 | Q | 65.5 | Low | 67.2 | Low | 112 Ų | 112 | 70 Ų | 70 | 52% | 0.523 | 37% | 0.367 | S | S | . | . | G | 310 helix | 0 | 0 | 0 | -152.9 | 137.4 | 28.3 | 0 | 0 | 111.5 | G915 I925 M929 R930 | G915-Q927 VanDerWaalsContact C-CB 3.43Å; G915-Q927 WeakPolarHBondContact O-CA 3.13Å; G915-Q927 WeakPolarHBondContact O-CB 3.38Å; G915-Q927 PolarHBondContact O-N 2.72Å; I925-Q927 PolarHBondContact O-N 2.72Å; Q927-M929 PolarHBondContact O-N 3.18Å; Q927-R930 VanDerWaalsContact O-CB 3.26Å; Q927-R930 WeakPolarHBondContact O-CB 2.52Å; Q927-R930 PolarHBondContact O-N 1.7Å | |
| 928 | Q | 68.5 | Low | 67.7 | Low | 137 Ų | 137 | 78.1 Ų | 78.1 | 64% | 0.64 | 40% | 0.397 | S | S | * | . | G | 310 helix | 0 | -15.6 | 0 | 43 | -176.1 | -15.6 | 0 | 0 | 111.3 | E926 R930 D932 | E926-Q928 HydrophobicContact CB-CG 3.54Å; E926-Q928 CarbonylContact O-C 3.59Å; E926-Q928 PolarHBondContact O-N 3.46Å; E926-Q928 PolarHBondContact OE2-NE2 2.84Å; Q928-R930 VanDerWaalsContact C-N 3.27Å; Q928-D932 WeakPolarHBondContact O-CB 3.28Å | |
| 929 | M | 69.4 | Low | 67.4 | Low | 61 Ų | 61 | 79.3 Ų | 79.3 | 30% | 0.3 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -93.4 | -4.8 | -175.3 | -65.9 | -118 | -81.8 | 0 | 0 | 109.2 | I925 E926 Q927 D932 D936 | I925-M929 HydrophobicContact CB-CB 3.74Å; I925-M929 HydrophobicContact CB-CE 3.95Å; I925-M929 HydrophobicContact CB-CG 4.38Å; I925-M929 HydrophobicContact CD1-CB 3.72Å; I925-M929 WeakPolarHBondContact CD1-O 3.35Å; I925-M929 HydrophobicContact CG1-CB 4.09Å; I925-M929 HydrophobicContact CG2-CE 3.85Å; E926-M929 HydrophobicContact CB-CG 4.16Å; E926-M929 VanDerWaalsContact O-CA 3.24Å; E926-M929 WeakPolarHBondContact O-CA 2.74Å; E926-M929 WeakPolarHBondContact O-CB 3.08Å; E926-M929 PolarHBondContact O-N 2.96Å; Q927-M929 PolarHBondContact O-N 3.18Å; M929-D932 WeakPolarHBondContact CA-OD2 3.23Å; M929-D932 VanDerWaalsContact O-OD1 3.08Å; M929-D936 HydrophobicContact CE-CB 4.17Å |
| 930 | R | 60.7 | Low | 67.1 | Low | 101 Ų | 101 | 80.4 Ų | 80.4 | 38% | 0.381 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 111.3 | 165 | -172.7 | 179.7 | -177.8 | -136.5 | 0.9 | 111.2 | Y917 Q927 Q928 | Y917-R930 HydrophobicContact CD1-CB 4.15Å; Y917-R930 HydrophobicContact CD1-CG 4.16Å; Y917-R930 HydrophobicContact CD2-CB 4.45Å; Y917-R930 HydrophobicContact CD2-CG 4.07Å; Y917-R930 HydrophobicContact CE1-CG 4.34Å; Y917-R930 HydrophobicContact CE2-CG 4.25Å; Y917-R930 HydrophobicContact CG-CB 3.97Å; Y917-R930 HydrophobicContact CG-CG 4.01Å; Q927-R930 VanDerWaalsContact O-CB 3.26Å; Q927-R930 WeakPolarHBondContact O-CB 2.52Å; Q927-R930 PolarHBondContact O-N 1.7Å; Q928-R930 VanDerWaalsContact C-N 3.27Å |
| 931 | C | 70.8 | Confident | 67.3 | Low | 25 Ų | 25 | 76.5 Ų | 76.5 | 17% | 0.169 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 32.4 | 178.5 | -65.6 | 0 | 0 | 0 | 0 | 110.3 | D942 C946 R949 | C931-D942 PolarHBondContact N-O 2.75Å; C931-D942 VanDerWaalsContact N-O 3.17Å; C931-C946 WeakPolarHBondContact CA-SG 3.07Å; C931-C946 HydrophobicContact CB-CB 3.43Å; C931-C946 VanDerWaalsContact CB-CB 3.43Å; C931-C946 WeakPolarHBondContact CB-SG 3.36Å; C931-C946 WeakPolarHBondContact SG-CA 3.42Å; C931-C946 CovalentContact SG-CB 2.18Å; C931-C946 WeakPolarHBondContact SG-CB 3.35Å; C931-C946 CovalentContact SG-SG 1.83Å; C931-C946 PolarHBondContact SG-SG 3.49Å; C931-R949 VanDerWaalsContact O-CZ 3.25Å; C931-R949 PolarHBondContact O-NE 3.46Å; C931-R949 PolarHBondContact O-NH2 2.76Å; C931-R949 VanDerWaalsContact O-NH2 3.16Å |
| 932 | D | 63.4 | Low | 67.9 | Low | 44 Ų | 44 | 74.1 Ų | 74.1 | 24% | 0.235 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -98.8 | 0 | -179.8 | 63 | -12.8 | 0 | 0 | 0 | 110.2 | Q928 M929 R934 D936 E943 | Q928-D932 WeakPolarHBondContact O-CB 3.28Å; M929-D932 WeakPolarHBondContact CA-OD2 3.23Å; M929-D932 VanDerWaalsContact O-OD1 3.08Å; D932-R934 VanDerWaalsContact C-N 3.26Å; D932-R934 PolarHBondContact O-N 2.77Å; D932-R934 PolarHBondContact OD1-N 2.67Å; D932-R934 IonicContact OD2-NE 3.53Å; D932-D936 VanDerWaalsContact CG-OD2 3.25Å; D932-E943 PolarHBondContact N-OE1 3.05Å; D932-E943 VanDerWaalsContact OD1-OE1 3.12Å |
| 933 | G | 63.7 | Low | 68.5 | Low | 48 Ų | 48 | 74.4 Ų | 74.4 | 50% | 0.495 | 36% | 0.36 | S | S | . | . | S | Bend | 0 | 2.9 | 0 | 0 | 0 | 0 | 0 | 0 | 110.4 | E943 | G933-E943 PolarHBondContact N-OE1 2.8Å; G933-E943 PolarHBondContact N-OE2 2.92Å | |
| 934 | R | 65.5 | Low | 68.4 | Low | 171 Ų | 171 | 73.5 Ų | 73.5 | 65% | 0.645 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -127.1 | 123.5 | 176.6 | -49.9 | -171.1 | -103.4 | -158.9 | -0.5 | 109.3 | D932 D936 E943 | D932-R934 VanDerWaalsContact C-N 3.26Å; D932-R934 PolarHBondContact O-N 2.77Å; D932-R934 PolarHBondContact OD1-N 2.67Å; D932-R934 IonicContact OD2-NE 3.53Å; R934-D936 PolarHBondContact O-N 2.15Å; R934-E943 PolarHBondContact N-OE1 2.76Å; R934-E943 VanDerWaalsContact N-OE1 3.1Å |
| 935 | Q | 69.5 | Low | 67.8 | Low | 132 Ų | 132 | 74.7 Ų | 74.7 | 62% | 0.617 | 38% | 0.382 | S | S | * | . | trans | -59 | 86.4 | 174.4 | -165.7 | 178.7 | 18 | 0 | 0 | 111 | C937 A940 | Q935-C937 WeakPolarHBondContact CG-O 2.97Å; Q935-A940 HydrophobicContact CG-CB 3.62Å | ||
| 936 | D | 68 | Low | 67.3 | Low | 52 Ų | 52 | 75.9 Ų | 75.9 | 28% | 0.278 | 39% | 0.391 | S | S | . | . | trans | -89.6 | 0 | -177.8 | -64.8 | -47 | 0 | 0 | 0 | 110 | I925 M929 D932 R934 D942 | I925-D936 HydrophobicContact CD1-CB 4.2Å; I925-D936 HydrophobicContact CG2-CB 4.21Å; M929-D936 HydrophobicContact CE-CB 4.17Å; D932-D936 VanDerWaalsContact CG-OD2 3.25Å; R934-D936 PolarHBondContact O-N 2.15Å; D936-D942 WeakPolarHBondContact CA-OD2 3.33Å; D936-D942 WeakPolarHBondContact CB-OD2 3.46Å; D936-D942 VanDerWaalsContact N-CG 3.32Å; D936-D942 PolarHBondContact N-OD1 3.23Å; D936-D942 PolarHBondContact N-OD2 3.3Å | ||
| 937 | C | 74.8 | Confident | 66.4 | Low | 1 Ų | 1 | 75.8 Ų | 75.8 | 1% | 0.007 | 40% | 0.398 | C | S | . | . | S | Bend | 0 | 0 | 0 | -133.3 | 0 | 0 | 0 | 0 | 109.2 | C919 Q935 D939 A940 D942 | C919-C937 VanDerWaalsContact C-SG 3.55Å; C919-C937 WeakPolarHBondContact CA-SG 3.5Å; C919-C937 HydrophobicContact CB-CB 3.52Å; C919-C937 CovalentContact CB-SG 1.75Å; C919-C937 WeakPolarHBondContact CB-SG 3.39Å; C919-C937 WeakPolarHBondContact SG-CA 3.45Å; C919-C937 WeakPolarHBondContact SG-CB 3.43Å; C919-C937 CovalentContact SG-SG 1.76Å; C919-C937 PolarHBondContact SG-SG 2.81Å; Q935-C937 WeakPolarHBondContact CG-O 2.97Å; C937-D939 PolarHBondContact O-N 3.38Å; C937-D939 VanDerWaalsContact O-N 3.09Å; C937-A940 WeakPolarHBondContact O-CA 3.38Å; C937-A940 PolarHBondContact O-N 2.87Å; C937-D942 HydrophobicContact CB-CB 3.84Å; C937-D942 PolarHBondContact N-OD1 0.81Å | |
| 938 | R | 73.9 | Confident | 65.6 | Low | 221 Ų | 221 | 74.6 Ų | 74.6 | 83% | 0.834 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | -24.4 | 0 | -104.6 | -179.2 | 176.3 | 173 | 1.1 | 111.3 | |||
| 939 | D | 67.4 | Low | 65 | Low | 104 Ų | 104 | 73.9 Ų | 73.9 | 56% | 0.556 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | 15.9 | 178.8 | -158.4 | 3.8 | 0 | 0 | 0 | 110.4 | C937 S941 | C937-D939 PolarHBondContact O-N 3.38Å; C937-D939 VanDerWaalsContact O-N 3.09Å; D939-S941 WeakPolarHBondContact CB-OG 3.23Å; D939-S941 PolarHBondContact O-N 2.94Å |
| 940 | A | 63.7 | Low | 64.2 | Low | 26 Ų | 26 | 71.8 Ų | 71.8 | 22% | 0.215 | 38% | 0.383 | C | S | . | . | S | Bend | trans | 52.1 | 24.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q935 C937 D942 E943 T944 | Q935-A940 HydrophobicContact CG-CB 3.62Å; C937-A940 WeakPolarHBondContact O-CA 3.38Å; C937-A940 PolarHBondContact O-N 2.87Å; A940-D942 PolarHBondContact O-N 3.06Å; A940-E943 PolarHBondContact O-N 3.08Å; A940-E943 VanDerWaalsContact O-N 3.12Å; A940-T944 WeakPolarHBondContact O-CG2 3.25Å |
| 941 | S | 70.4 | Confident | 63.8 | Low | 7 Ų | 7 | 75.7 Ų | 75.7 | 5% | 0.049 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -72 | -23 | -178.9 | -55 | 0 | 0 | 0 | 0 | 111 | Y917 S920 D939 E943 T944 | Y917-S941 PolarHBondContact OH-O 3.21Å; S920-S941 WeakPolarHBondContact CB-OG 2.25Å; S920-S941 WeakPolarHBondContact OG-CB 2.94Å; S920-S941 PolarHBondContact OG-OG 2.98Å; D939-S941 WeakPolarHBondContact CB-OG 3.23Å; D939-S941 PolarHBondContact O-N 2.94Å; S941-E943 PolarHBondContact O-N 3.44Å; S941-T944 PolarHBondContact O-N 3.04Å; S941-T944 PolarHBondContact O-OG1 3.1Å |
| 942 | D | 74.2 | Confident | 62.9 | Low | 0 Ų | 0 | 81.5 Ų | 81.5 | 0% | 0 | 44% | 0.436 | C | S | . | . | G | 310 helix | trans | -71.1 | 0 | -179.7 | 71 | -37.5 | 0 | 0 | 0 | 110.7 | Y917 I925 C931 D936 C937 A940 | Y917-D942 HydrophobicContact CD1-CB 4.47Å; Y917-D942 HydrophobicContact CE1-CB 4.23Å; I925-D942 HydrophobicContact CD1-CB 3.41Å; I925-D942 VanDerWaalsContact CD1-CB 3.41Å; C931-D942 PolarHBondContact N-O 2.75Å; C931-D942 VanDerWaalsContact N-O 3.17Å; D936-D942 WeakPolarHBondContact CA-OD2 3.33Å; D936-D942 WeakPolarHBondContact CB-OD2 3.46Å; D936-D942 VanDerWaalsContact N-CG 3.32Å; D936-D942 PolarHBondContact N-OD1 3.23Å; D936-D942 PolarHBondContact N-OD2 3.3Å; C937-D942 HydrophobicContact CB-CB 3.84Å; C937-D942 PolarHBondContact N-OD1 0.81Å; A940-D942 PolarHBondContact O-N 3.06Å |
| 943 | E | 74.6 | Confident | 62.5 | Low | 56 Ų | 56 | 80.7 Ų | 80.7 | 26% | 0.262 | 44% | 0.437 | S | S | . | . | G | 310 helix | 0 | 0 | 0 | -61.6 | -72.6 | 161.4 | 0 | 0 | 110.1 | D932 G933 R934 A940 S941 R949 | D932-E943 PolarHBondContact N-OE1 3.05Å; D932-E943 VanDerWaalsContact OD1-OE1 3.12Å; G933-E943 PolarHBondContact N-OE1 2.8Å; G933-E943 PolarHBondContact N-OE2 2.92Å; R934-E943 PolarHBondContact N-OE1 2.76Å; R934-E943 VanDerWaalsContact N-OE1 3.1Å; A940-E943 PolarHBondContact O-N 3.08Å; A940-E943 VanDerWaalsContact O-N 3.12Å; S941-E943 PolarHBondContact O-N 3.44Å; E943-R949 IonicContact OE1-NH2 2.64Å; E943-R949 IonicContact OE2-CZ 3.58Å; E943-R949 IonicContact OE2-NH2 3.99Å; E943-R949 PolarHBondContact OE2-NH2 3.07Å | |
| 944 | T | 65.7 | Low | 62.7 | Low | 93 Ų | 93 | 80.8 Ų | 80.8 | 57% | 0.571 | 43% | 0.425 | S | S | * | . | S | Bend | 0 | 0 | 0 | 54.9 | 0 | 0 | 0 | 0 | 109.6 | A940 S941 | A940-T944 WeakPolarHBondContact O-CG2 3.25Å; S941-T944 PolarHBondContact O-N 3.04Å; S941-T944 PolarHBondContact O-OG1 3.1Å | |
| 945 | G | 56.1 | Low | 62.7 | Low | 74 Ų | 74 | 75.2 Ų | 75.2 | 76% | 0.763 | 40% | 0.404 | S | S | * | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.7 | P947 | G945-P947 WeakPolarHBondContact O-CD 3.4Š| |
| 946 | C | 57.1 | Low | 63 | Low | 38 Ų | 38 | 72.2 Ų | 72.2 | 26% | 0.257 | 39% | 0.39 | S | S | . | . | 0 | 115.1 | 0 | -66.2 | 0 | 0 | 0 | 0 | 109.8 | C931 | C931-C946 WeakPolarHBondContact CA-SG 3.07Å; C931-C946 HydrophobicContact CB-CB 3.43Å; C931-C946 VanDerWaalsContact CB-CB 3.43Å; C931-C946 WeakPolarHBondContact CB-SG 3.36Å; C931-C946 WeakPolarHBondContact SG-CA 3.42Å; C931-C946 CovalentContact SG-CB 2.18Å; C931-C946 WeakPolarHBondContact SG-CB 3.35Å; C931-C946 CovalentContact SG-SG 1.83Å; C931-C946 PolarHBondContact SG-SG 3.49Å | |||
| 947 | P | 51.4 | Low | 63.1 | Low | 88 Ų | 88 | 69.9 Ų | 69.9 | 57% | 0.571 | 38% | 0.378 | S | S | * | . | trans | -62.8 | 0 | 177 | 3 | -0.7 | 0 | 0 | 0 | 111.8 | G945 R949 | G945-P947 WeakPolarHBondContact O-CD 3.4Å; P947-R949 PolarHBondContact O-N 2.89Å | ||
| 948 | P | 48.9 | Very low | 62.7 | Low | 87 Ų | 87 | 74 Ų | 74 | 57% | 0.565 | 41% | 0.407 | S | S | * | . | 0 | 0 | 0 | 1 | 9 | 0 | 0 | 0 | 111.9 | C950 Q956 | P948-C950 PolarHBondContact O-N 1.55Å; P948-Q956 VanDerWaalsContact CA-CD 3.45Å; P948-Q956 HydrophobicContact CB-CB 4.01Å; P948-Q956 HydrophobicContact CB-CG 4.18Å; P948-Q956 VanDerWaalsContact CG-OE1 3.28Å | |||
| 949 | R | 55.2 | Low | 62.1 | Low | 122 Ų | 122 | 66 Ų | 66 | 46% | 0.46 | 39% | 0.385 | S | S | . | . | S | Bend | 0 | 35.1 | 0 | -79.5 | -169 | 173.4 | 166.8 | -2.5 | 111.4 | C931 E943 P947 C962 | C931-R949 VanDerWaalsContact O-CZ 3.25Å; C931-R949 PolarHBondContact O-NE 3.46Å; C931-R949 PolarHBondContact O-NH2 2.76Å; C931-R949 VanDerWaalsContact O-NH2 3.16Å; E943-R949 IonicContact OE1-NH2 2.64Å; E943-R949 IonicContact OE2-CZ 3.58Å; E943-R949 IonicContact OE2-NH2 3.99Å; E943-R949 PolarHBondContact OE2-NH2 3.07Å; P947-R949 PolarHBondContact O-N 2.89Å; R949-C962 PolarHBondContact O-SG 2.61Å | |
| 950 | C | 52.7 | Low | 62 | Low | 18 Ų | 18 | 63.4 Ų | 63.4 | 12% | 0.122 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -118.3 | 115 | 172.1 | -65.4 | 0 | 0 | 0 | 0 | 109.3 | P948 Q954 Q956 C962 | P948-C950 PolarHBondContact O-N 1.55Å; C950-Q954 VanDerWaalsContact CB-C 3.45Å; C950-Q954 HydrophobicContact CB-CB 3.62Å; C950-Q954 WeakPolarHBondContact CB-O 3.29Å; C950-Q956 HydrophobicContact CB-CB 4.23Å; C950-Q956 WeakPolarHBondContact SG-CA 2.24Å; C950-Q956 WeakPolarHBondContact SG-CB 3.2Å; C950-Q956 VanDerWaalsContact SG-CG 3.6Å; C950-Q956 PolarHBondContact SG-N 3.06Å; C950-C962 HydrophobicContact CB-CB 3.89Å; C950-C962 WeakPolarHBondContact SG-CA 3.48Å; C950-C962 WeakPolarHBondContact SG-CB 2.68Å; C950-C962 CovalentContact SG-SG 2.34Å; C950-C962 PolarHBondContact SG-SG 3.17Å |
| 951 | R | 53.2 | Low | 62.3 | Low | 183 Ų | 183 | 67.7 Ų | 67.7 | 69% | 0.691 | 40% | 0.398 | S | S | * | . | trans | -39.1 | 0 | 179.4 | -65.8 | -173.9 | 164.8 | 97.3 | -2.5 | 111.7 | G953 Q954 | R951-G953 CarbonylContact O-C 3.5Å; R951-G953 WeakPolarHBondContact O-CA 3.1Å; R951-G953 PolarHBondContact O-N 3.34Å; R951-Q954 HydrophobicContact CB-CB 4.45Å; R951-Q954 HydrophobicContact CB-CG 4.09Å; R951-Q954 WeakPolarHBondContact O-CA 3.35Å; R951-Q954 VanDerWaalsContact O-CB 3.32Å; R951-Q954 WeakPolarHBondContact O-CB 3.42Å; R951-Q954 PolarHBondContact O-N 3.2Å | ||
| 952 | P | 51 | Low | 62.3 | Low | 147 Ų | 147 | 69.8 Ų | 69.8 | 96% | 0.955 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 89.9 | 0 | -3.8 | 11.9 | 0 | 0 | 0 | 111.8 | |||
| 953 | G | 55 | Low | 62.1 | Low | 26 Ų | 26 | 70.4 Ų | 70.4 | 27% | 0.268 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 137.4 | -5.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | R951 E964 Q965 | R951-G953 CarbonylContact O-C 3.5Å; R951-G953 WeakPolarHBondContact O-CA 3.1Å; R951-G953 PolarHBondContact O-N 3.34Å; G953-E964 CarbonylContact O-C 3.38Å; G953-Q965 VanDerWaalsContact C-N 3.31Å; G953-Q965 WeakPolarHBondContact O-CA 3.16Å; G953-Q965 WeakPolarHBondContact O-CB 2.99Å; G953-Q965 PolarHBondContact O-N 3.42Å |
| 954 | Q | 67.9 | Low | 62 | Low | 50 Ų | 50 | 72.2 Ų | 72.2 | 23% | 0.234 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 127.3 | 177.8 | -68.5 | -175.7 | -11.1 | 0 | 0 | 108.9 | C950 R951 I963 E964 | C950-Q954 VanDerWaalsContact CB-C 3.45Å; C950-Q954 HydrophobicContact CB-CB 3.62Å; C950-Q954 WeakPolarHBondContact CB-O 3.29Å; R951-Q954 HydrophobicContact CB-CB 4.45Å; R951-Q954 HydrophobicContact CB-CG 4.09Å; R951-Q954 WeakPolarHBondContact O-CA 3.35Å; R951-Q954 VanDerWaalsContact O-CB 3.32Å; R951-Q954 WeakPolarHBondContact O-CB 3.42Å; R951-Q954 PolarHBondContact O-N 3.2Å; Q954-I963 CarbonylContact C-O 3.42Å; Q954-I963 WeakPolarHBondContact CA-O 3.09Å; Q954-I963 WeakPolarHBondContact CB-O 3.27Å; Q954-E964 HydrophobicContact CG-CG 4.19Å |
| 955 | Y | 67.2 | Low | 62 | Low | 54 Ų | 54 | 73.3 Ų | 73.3 | 21% | 0.212 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 126.7 | 179.3 | 174.3 | -101.7 | 0 | 0 | 0 | 110.2 | I963 R968 D980 | Y955-I963 WeakPolarHBondContact CA-O 3.42Å; Y955-I963 HydrophobicContact CD1-CD1 3.84Å; Y955-I963 HydrophobicContact CD1-CG1 3.92Å; Y955-I963 PolarHBondContact N-O 2.84Å; Y955-I963 WeakPolarHBondContact O-CG1 3.47Å; Y955-I963 PolarHBondContact O-N 2.59Å; Y955-I963 VanDerWaalsContact O-O 3.08Å; Y955-R968 HydrophobicContact CD1-CB 4.35Å; Y955-R968 HydrophobicContact CD1-CG 4.31Å; Y955-R968 HydrophobicContact CD2-CG 4.24Å; Y955-R968 HydrophobicContact CE2-CG 4.45Å; Y955-R968 HydrophobicContact CG-CB 4.14Å; Y955-R968 HydrophobicContact CG-CG 4.16Å; Y955-D980 HydrophobicContact CE1-CB 4.38Å |
| 956 | Q | 74.3 | Confident | 62.7 | Low | 70 Ų | 70 | 76.5 Ų | 76.5 | 33% | 0.327 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 0 | -180 | -168.9 | 173.1 | 2.1 | 0 | 0 | 110.1 | P948 C950 | P948-Q956 VanDerWaalsContact CA-CD 3.45Å; P948-Q956 HydrophobicContact CB-CB 4.01Å; P948-Q956 HydrophobicContact CB-CG 4.18Å; P948-Q956 VanDerWaalsContact CG-OE1 3.28Å; C950-Q956 HydrophobicContact CB-CB 4.23Å; C950-Q956 WeakPolarHBondContact SG-CA 2.24Å; C950-Q956 WeakPolarHBondContact SG-CB 3.2Å; C950-Q956 VanDerWaalsContact SG-CG 3.6Å; C950-Q956 PolarHBondContact SG-N 3.06Å |
| 957 | C | 69.7 | Low | 63.3 | Low | 3 Ų | 3 | 77.4 Ų | 77.4 | 2% | 0.02 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | 0 | 139.1 | 0 | -79.2 | 0 | 0 | 0 | 0 | 109.7 | S959 G960 E961 C975 | C957-S959 PolarHBondContact O-N 3.43Å; C957-G960 PolarHBondContact O-N 3.2Å; C957-E961 HydrophobicContact CB-CB 4.3Å; C957-E961 VanDerWaalsContact CB-O 3.32Å; C957-E961 WeakPolarHBondContact CB-O 3.47Å; C957-E961 PolarHBondContact N-O 2.38Å; C957-C975 WeakPolarHBondContact CA-SG 2.87Å; C957-C975 HydrophobicContact CB-CB 3.69Å; C957-C975 WeakPolarHBondContact CB-SG 3.08Å; C957-C975 VanDerWaalsContact SG-CA 3.55Å; C957-C975 WeakPolarHBondContact SG-CB 3.26Å; C957-C975 CovalentContact SG-SG 1.06Å; C957-C975 PolarHBondContact SG-SG 3.35Å | |
| 958 | S | 66.6 | Low | 63.9 | Low | 87 Ų | 87 | 77.7 Ų | 77.7 | 61% | 0.608 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -19.8 | 177.3 | -13.1 | 0 | 0 | 0 | 0 | 111 | S979 | S958-S979 VanDerWaalsContact CB-OG 3.32Å; S958-S979 WeakPolarHBondContact CB-OG 3.49Å; S958-S979 WeakPolarHBondContact OG-CB 2.86Å; S958-S979 PolarHBondContact OG-OG 2.64Å |
| 959 | S | 63.1 | Low | 65 | Low | 53 Ų | 53 | 74 Ų | 74 | 37% | 0.371 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 3.8 | 179.2 | 64.5 | 0 | 0 | 0 | 0 | 111 | C957 | C957-S959 PolarHBondContact O-N 3.43Š|
| 960 | G | 65 | Low | 65.5 | Low | 50 Ų | 50 | 70 Ų | 70 | 52% | 0.515 | 37% | 0.372 | S | S | . | . | S | Bend | trans | 98.3 | 0 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | C957 | C957-G960 PolarHBondContact O-N 3.2Š|
| 961 | E | 69.2 | Low | 66.1 | Low | 116 Ų | 116 | 72.1 Ų | 72.1 | 54% | 0.542 | 40% | 0.396 | S | S | . | . | 0 | 138.5 | 0 | -52.9 | -102.5 | 167.8 | 0 | 0 | 110.4 | C957 | C957-E961 HydrophobicContact CB-CB 4.3Å; C957-E961 VanDerWaalsContact CB-O 3.32Å; C957-E961 WeakPolarHBondContact CB-O 3.47Å; C957-E961 PolarHBondContact N-O 2.38Å | |||
| 962 | C | 70.5 | Confident | 66.6 | Low | 51 Ų | 51 | 71.2 Ų | 71.2 | 35% | 0.345 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 107.8 | -176.7 | -66.8 | 0 | 0 | 0 | 0 | 109.7 | R949 C950 | R949-C962 PolarHBondContact O-SG 2.61Å; C950-C962 HydrophobicContact CB-CB 3.89Å; C950-C962 WeakPolarHBondContact SG-CA 3.48Å; C950-C962 WeakPolarHBondContact SG-CB 2.68Å; C950-C962 CovalentContact SG-SG 2.34Å; C950-C962 PolarHBondContact SG-SG 3.17Å |
| 963 | I | 70.9 | Confident | 67.5 | Low | 13 Ų | 13 | 70.5 Ų | 70.5 | 7% | 0.067 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 140 | 178.8 | 55.4 | 168.3 | 0 | 0 | 0 | 109.1 | Q954 Y955 Q965 M967 D974 D980 | Q954-I963 CarbonylContact C-O 3.42Å; Q954-I963 WeakPolarHBondContact CA-O 3.09Å; Q954-I963 WeakPolarHBondContact CB-O 3.27Å; Y955-I963 WeakPolarHBondContact CA-O 3.42Å; Y955-I963 HydrophobicContact CD1-CD1 3.84Å; Y955-I963 HydrophobicContact CD1-CG1 3.92Å; Y955-I963 PolarHBondContact N-O 2.84Å; Y955-I963 WeakPolarHBondContact O-CG1 3.47Å; Y955-I963 PolarHBondContact O-N 2.59Å; Y955-I963 VanDerWaalsContact O-O 3.08Å; I963-Q965 PolarHBondContact O-N 3.07Å; I963-M967 HydrophobicContact CB-CB 3.76Å; I963-M967 HydrophobicContact CB-CE 4.08Å; I963-M967 HydrophobicContact CB-CG 4.44Å; I963-M967 HydrophobicContact CD1-CB 3.86Å; I963-M967 WeakPolarHBondContact CD1-O 3.48Å; I963-M967 HydrophobicContact CG1-CB 4.16Å; I963-M967 HydrophobicContact CG2-CE 4.06Å; I963-D974 HydrophobicContact CD1-CB 4.49Å; I963-D974 HydrophobicContact CG2-CB 4.26Å; I963-D980 HydrophobicContact CD1-CB 3.25Å |
| 964 | E | 70.6 | Confident | 68.1 | Low | 93 Ų | 93 | 72 Ų | 72 | 44% | 0.435 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.5 | 0 | 178.6 | -80.4 | -135.6 | -177 | 0 | 0 | 111.4 | G953 Q954 Q966 M967 | G953-E964 CarbonylContact O-C 3.38Å; Q954-E964 HydrophobicContact CG-CG 4.19Å; E964-Q966 HydrophobicContact CB-CG 3.5Å; E964-Q966 VanDerWaalsContact CB-CG 3.5Å; E964-Q966 CarbonylContact O-C 3.46Å; E964-Q966 PolarHBondContact O-N 2.63Å; E964-Q966 PolarHBondContact OE2-NE2 1.83Å; E964-M967 HydrophobicContact CB-CG 3.99Å; E964-M967 WeakPolarHBondContact O-CA 3.46Å; E964-M967 WeakPolarHBondContact O-CB 3.31Å; E964-M967 PolarHBondContact O-N 3.27Å |
| 965 | Q | 67.2 | Low | 68.5 | Low | 117 Ų | 117 | 69.6 Ų | 69.6 | 55% | 0.547 | 37% | 0.368 | S | S | . | . | G | 310 helix | 0 | 0 | 0 | -142.2 | 148.2 | 28.5 | 0 | 0 | 111.5 | G953 I963 M967 R968 | G953-Q965 VanDerWaalsContact C-N 3.31Å; G953-Q965 WeakPolarHBondContact O-CA 3.16Å; G953-Q965 WeakPolarHBondContact O-CB 2.99Å; G953-Q965 PolarHBondContact O-N 3.42Å; I963-Q965 PolarHBondContact O-N 3.07Å; Q965-M967 PolarHBondContact O-N 2.26Å; Q965-R968 VanDerWaalsContact O-CB 3.26Å; Q965-R968 WeakPolarHBondContact O-CB 2.48Å; Q965-R968 PolarHBondContact O-N 2.87Å | |
| 966 | Q | 69.2 | Low | 68.7 | Low | 141 Ų | 141 | 77.9 Ų | 77.9 | 66% | 0.659 | 40% | 0.399 | S | S | * | . | G | 310 helix | 0 | -16.4 | 0 | 49.1 | -174.2 | -13.6 | 0 | 0 | 111.4 | E964 | E964-Q966 HydrophobicContact CB-CG 3.5Å; E964-Q966 VanDerWaalsContact CB-CG 3.5Å; E964-Q966 CarbonylContact O-C 3.46Å; E964-Q966 PolarHBondContact O-N 2.63Å; E964-Q966 PolarHBondContact OE2-NE2 1.83Å | |
| 967 | M | 70.8 | Confident | 68.4 | Low | 56 Ų | 56 | 79.6 Ų | 79.6 | 28% | 0.276 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -92.6 | -3.4 | -174.2 | -65.9 | -117.9 | -84 | 0 | 0 | 109 | I963 E964 Q965 D974 | I963-M967 HydrophobicContact CB-CB 3.76Å; I963-M967 HydrophobicContact CB-CE 4.08Å; I963-M967 HydrophobicContact CB-CG 4.44Å; I963-M967 HydrophobicContact CD1-CB 3.86Å; I963-M967 WeakPolarHBondContact CD1-O 3.48Å; I963-M967 HydrophobicContact CG1-CB 4.16Å; I963-M967 HydrophobicContact CG2-CE 4.06Å; E964-M967 HydrophobicContact CB-CG 3.99Å; E964-M967 WeakPolarHBondContact O-CA 3.46Å; E964-M967 WeakPolarHBondContact O-CB 3.31Å; E964-M967 PolarHBondContact O-N 3.27Å; Q965-M967 PolarHBondContact O-N 2.26Å; M967-D974 HydrophobicContact CE-CB 4.36Å |
| 968 | R | 63.4 | Low | 68.2 | Low | 95 Ų | 95 | 80.5 Ų | 80.5 | 36% | 0.358 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 112.4 | 163.4 | -170.4 | 177.5 | -175 | -121.4 | 0.1 | 111.3 | Y955 Q965 R987 | Y955-R968 HydrophobicContact CD1-CB 4.35Å; Y955-R968 HydrophobicContact CD1-CG 4.31Å; Y955-R968 HydrophobicContact CD2-CG 4.24Å; Y955-R968 HydrophobicContact CE2-CG 4.45Å; Y955-R968 HydrophobicContact CG-CB 4.14Å; Y955-R968 HydrophobicContact CG-CG 4.16Å; Q965-R968 VanDerWaalsContact O-CB 3.26Å; Q965-R968 WeakPolarHBondContact O-CB 2.48Å; Q965-R968 PolarHBondContact O-N 2.87Å; R968-R987 PolarHBondContact O-NH2 2.52Å |
| 969 | C | 72.5 | Confident | 68.4 | Low | 8 Ų | 8 | 76.7 Ų | 76.7 | 5% | 0.054 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 0 | 177 | -65.5 | 0 | 0 | 0 | 0 | 110.1 | D980 C984 R987 | C969-D980 PolarHBondContact N-O 2.63Å; C969-D980 VanDerWaalsContact N-O 3.15Å; C969-C984 WeakPolarHBondContact CA-SG 3.4Å; C969-C984 HydrophobicContact CB-CB 3.21Å; C969-C984 WeakPolarHBondContact CB-SG 3.4Å; C969-C984 WeakPolarHBondContact SG-CA 3.46Å; C969-C984 CovalentContact SG-CB 1.93Å; C969-C984 WeakPolarHBondContact SG-CB 3.08Å; C969-C984 CovalentContact SG-SG 1.81Å; C969-C984 PolarHBondContact SG-SG 3.08Å; C969-R987 VanDerWaalsContact C-CD 3.45Å; C969-R987 CovalentContact C-NH2 0.63Å; C969-R987 HydrophobicContact CB-CG 4.14Å; C969-R987 WeakPolarHBondContact O-CD 3.48Å; C969-R987 WeakPolarHBondContact O-CG 3.3Å; C969-R987 CovalentContact O-CZ 0.86Å; C969-R987 CovalentContact O-NE 0.81Å; C969-R987 PolarHBondContact O-NE 2.95Å; C969-R987 PolarHBondContact O-NH1 3.04Å; C969-R987 PolarHBondContact O-NH2 2.48Å |
| 970 | D | 65.6 | Low | 69 | Low | 40 Ų | 40 | 74.1 Ų | 74.1 | 21% | 0.214 | 37% | 0.373 | C | S | . | . | S | Bend | 0 | 0 | 0 | 62.8 | -12.9 | 0 | 0 | 0 | 109.9 | R972 D974 E981 R987 | D970-R972 PolarHBondContact O-N 3.03Å; D970-R972 PolarHBondContact OD1-N 3.18Å; D970-R972 VanDerWaalsContact OD1-O 3.13Å; D970-R972 IonicContact OD2-NE 3.5Å; D970-D974 VanDerWaalsContact CG-OD2 3.26Å; D970-E981 PolarHBondContact N-OE1 2.7Å; D970-R987 VanDerWaalsContact CA-NE 3.26Å; D970-R987 CovalentContact N-NH2 0.81Å; D970-R987 PolarHBondContact O-NH1 2.66Å; D970-R987 IonicContact OD1-NH2 3.75Å | |
| 971 | G | 64.6 | Low | 69.4 | Low | 61 Ų | 61 | 74.7 Ų | 74.7 | 63% | 0.629 | 36% | 0.362 | S | S | * | . | S | Bend | 0 | 0.8 | 0 | 0 | 0 | 0 | 0 | 0 | 111 | E981 | G971-E981 PolarHBondContact N-OE1 2.64Å; G971-E981 PolarHBondContact N-OE2 2.82Å | |
| 972 | R | 64.4 | Low | 69.3 | Low | 165 Ų | 165 | 73.4 Ų | 73.4 | 62% | 0.623 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -123.5 | 123.5 | 175.8 | -56.3 | -168.8 | -77.7 | -155.5 | -0.7 | 109.2 | D970 D974 E981 | D970-R972 PolarHBondContact O-N 3.03Å; D970-R972 PolarHBondContact OD1-N 3.18Å; D970-R972 VanDerWaalsContact OD1-O 3.13Å; D970-R972 IonicContact OD2-NE 3.5Å; R972-D974 PolarHBondContact O-N 3.07Å; R972-E981 PolarHBondContact N-OE1 3.45Å; R972-E981 VanDerWaalsContact N-OE1 3.09Å |
| 973 | Q | 69.9 | Low | 68.7 | Low | 132 Ų | 132 | 74.5 Ų | 74.5 | 62% | 0.617 | 38% | 0.382 | S | S | * | . | trans | -60.6 | 85.4 | 174.3 | -157.4 | 179.8 | 13.1 | 0 | 0 | 110.8 | C975 A978 | Q973-C975 WeakPolarHBondContact CG-O 3.34Å; Q973-A978 VanDerWaalsContact CD-CB 3.41Å; Q973-A978 VanDerWaalsContact CG-CA 3.46Å; Q973-A978 HydrophobicContact CG-CB 3.48Å; Q973-A978 VanDerWaalsContact CG-CB 3.48Å; Q973-A978 VanDerWaalsContact NE2-CA 3.33Å | ||
| 974 | D | 67.6 | Low | 68 | Low | 56 Ų | 56 | 75.8 Ų | 75.8 | 30% | 0.299 | 39% | 0.392 | S | S | . | . | trans | -88.4 | 0 | -178.2 | -64.6 | -47.8 | 0 | 0 | 0 | 109.9 | I963 M967 D970 R972 D980 | I963-D974 HydrophobicContact CD1-CB 4.49Å; I963-D974 HydrophobicContact CG2-CB 4.26Å; M967-D974 HydrophobicContact CE-CB 4.36Å; D970-D974 VanDerWaalsContact CG-OD2 3.26Å; R972-D974 PolarHBondContact O-N 3.07Å; D974-D980 WeakPolarHBondContact CA-OD2 3.49Å; D974-D980 WeakPolarHBondContact CB-OD2 3.18Å; D974-D980 PolarHBondContact N-OD1 2.56Å; D974-D980 PolarHBondContact N-OD2 3.04Å | ||
| 975 | C | 75.5 | Confident | 67.1 | Low | 1 Ų | 1 | 75.5 Ų | 75.5 | 1% | 0.007 | 40% | 0.398 | C | S | . | . | S | Bend | 0 | 129.9 | 0 | -100.9 | 0 | 0 | 0 | 0 | 109.7 | C957 Q973 D977 A978 D980 | C957-C975 WeakPolarHBondContact CA-SG 2.87Å; C957-C975 HydrophobicContact CB-CB 3.69Å; C957-C975 WeakPolarHBondContact CB-SG 3.08Å; C957-C975 VanDerWaalsContact SG-CA 3.55Å; C957-C975 WeakPolarHBondContact SG-CB 3.26Å; C957-C975 CovalentContact SG-SG 1.06Å; C957-C975 PolarHBondContact SG-SG 3.35Å; Q973-C975 WeakPolarHBondContact CG-O 3.34Å; C975-D977 PolarHBondContact O-N 1.68Å; C975-D977 VanDerWaalsContact O-N 3.1Å; C975-A978 WeakPolarHBondContact O-CA 3.3Å; C975-A978 PolarHBondContact O-N 2.86Å; C975-D980 HydrophobicContact CB-CB 3.85Å; C975-D980 PolarHBondContact N-OD1 2.78Å | |
| 976 | R | 73.1 | Confident | 66.3 | Low | 227 Ų | 227 | 74.1 Ų | 74.1 | 86% | 0.857 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -25 | -178.3 | -113 | 179.5 | 174 | 166 | 0.7 | 111.3 | ||
| 977 | D | 67.8 | Low | 65.6 | Low | 106 Ų | 106 | 71.8 Ų | 71.8 | 57% | 0.567 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | 14.1 | 179 | -154.4 | -0.3 | 0 | 0 | 0 | 110.5 | C975 S979 | C975-D977 PolarHBondContact O-N 1.68Å; C975-D977 VanDerWaalsContact O-N 3.1Å; D977-S979 VanDerWaalsContact CB-OG 3.28Å; D977-S979 WeakPolarHBondContact CB-OG 2.43Å; D977-S979 PolarHBondContact O-N 3.2Å |
| 978 | A | 65 | Low | 64.7 | Low | 23 Ų | 23 | 70.4 Ų | 70.4 | 19% | 0.19 | 38% | 0.38 | C | S | . | . | S | Bend | trans | 54 | 23.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q973 C975 D980 E981 T982 | Q973-A978 VanDerWaalsContact CD-CB 3.41Å; Q973-A978 VanDerWaalsContact CG-CA 3.46Å; Q973-A978 HydrophobicContact CG-CB 3.48Å; Q973-A978 VanDerWaalsContact CG-CB 3.48Å; Q973-A978 VanDerWaalsContact NE2-CA 3.33Å; C975-A978 WeakPolarHBondContact O-CA 3.3Å; C975-A978 PolarHBondContact O-N 2.86Å; A978-D980 PolarHBondContact O-N 3.25Å; A978-E981 PolarHBondContact O-N 2.87Å; A978-E981 VanDerWaalsContact O-N 3.12Å; A978-T982 WeakPolarHBondContact O-CG2 3.34Å |
| 979 | S | 71.2 | Confident | 64.4 | Low | 6 Ų | 6 | 74.9 Ų | 74.9 | 4% | 0.042 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -72.1 | -23.7 | -178.7 | -33.1 | 0 | 0 | 0 | 0 | 110.9 | S958 D977 E981 T982 | S958-S979 VanDerWaalsContact CB-OG 3.32Å; S958-S979 WeakPolarHBondContact CB-OG 3.49Å; S958-S979 WeakPolarHBondContact OG-CB 2.86Å; S958-S979 PolarHBondContact OG-OG 2.64Å; D977-S979 VanDerWaalsContact CB-OG 3.28Å; D977-S979 WeakPolarHBondContact CB-OG 2.43Å; D977-S979 PolarHBondContact O-N 3.2Å; S979-E981 PolarHBondContact O-N 2.7Å; S979-E981 VanDerWaalsContact O-N 3.08Å; S979-T982 PolarHBondContact O-N 3.03Å; S979-T982 PolarHBondContact O-OG1 2.79Å; S979-T982 VanDerWaalsContact O-OG1 3.14Å |
| 980 | D | 74.5 | Confident | 63.3 | Low | 0 Ų | 0 | 81.5 Ų | 81.5 | 0% | 0 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | -70.5 | 0 | 179.2 | 71.7 | -37.1 | 0 | 0 | 0 | 111.3 | Y955 I963 C969 D974 C975 A978 C984 | Y955-D980 HydrophobicContact CE1-CB 4.38Å; I963-D980 HydrophobicContact CD1-CB 3.25Å; C969-D980 PolarHBondContact N-O 2.63Å; C969-D980 VanDerWaalsContact N-O 3.15Å; D974-D980 WeakPolarHBondContact CA-OD2 3.49Å; D974-D980 WeakPolarHBondContact CB-OD2 3.18Å; D974-D980 PolarHBondContact N-OD1 2.56Å; D974-D980 PolarHBondContact N-OD2 3.04Å; C975-D980 HydrophobicContact CB-CB 3.85Å; C975-D980 PolarHBondContact N-OD1 2.78Å; A978-D980 PolarHBondContact O-N 3.25Å; D980-C984 PolarHBondContact O-SG 3.11Å; D980-C984 VanDerWaalsContact O-SG 3.39Å |
| 981 | E | 74.9 | Confident | 62.8 | Low | 61 Ų | 61 | 80.9 Ų | 80.9 | 29% | 0.285 | 44% | 0.443 | S | S | . | . | G | 310 helix | 0 | 0 | 0 | -61.5 | -71.3 | 162.2 | 0 | 0 | 109.9 | D970 G971 R972 A978 S979 R987 | D970-E981 PolarHBondContact N-OE1 2.7Å; G971-E981 PolarHBondContact N-OE1 2.64Å; G971-E981 PolarHBondContact N-OE2 2.82Å; R972-E981 PolarHBondContact N-OE1 3.45Å; R972-E981 VanDerWaalsContact N-OE1 3.09Å; A978-E981 PolarHBondContact O-N 2.87Å; A978-E981 VanDerWaalsContact O-N 3.12Å; S979-E981 PolarHBondContact O-N 2.7Å; S979-E981 VanDerWaalsContact O-N 3.08Å; E981-R987 IonicContact OE1-NH2 3.61Å | |
| 982 | T | 65.7 | Low | 63 | Low | 90 Ų | 90 | 80.5 Ų | 80.5 | 55% | 0.552 | 42% | 0.424 | S | S | * | . | S | Bend | 0 | 0 | 0 | 54.4 | 0 | 0 | 0 | 0 | 108.9 | A978 S979 | A978-T982 WeakPolarHBondContact O-CG2 3.34Å; S979-T982 PolarHBondContact O-N 3.03Å; S979-T982 PolarHBondContact O-OG1 2.79Å; S979-T982 VanDerWaalsContact O-OG1 3.14Å | |
| 983 | G | 57.7 | Low | 63.2 | Low | 73 Ų | 73 | 74.9 Ų | 74.9 | 75% | 0.753 | 40% | 0.404 | S | S | * | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.7 | P985 | G983-P985 WeakPolarHBondContact O-CD 3.35Š| |
| 984 | C | 58 | Low | 63.3 | Low | 40 Ų | 40 | 71.3 Ų | 71.3 | 27% | 0.27 | 39% | 0.387 | S | S | . | . | 0 | 119.2 | 0 | -66.4 | 0 | 0 | 0 | 0 | 110 | C969 D980 | C969-C984 WeakPolarHBondContact CA-SG 3.4Å; C969-C984 HydrophobicContact CB-CB 3.21Å; C969-C984 WeakPolarHBondContact CB-SG 3.4Å; C969-C984 WeakPolarHBondContact SG-CA 3.46Å; C969-C984 CovalentContact SG-CB 1.93Å; C969-C984 WeakPolarHBondContact SG-CB 3.08Å; C969-C984 CovalentContact SG-SG 1.81Å; C969-C984 PolarHBondContact SG-SG 3.08Å; D980-C984 PolarHBondContact O-SG 3.11Å; D980-C984 VanDerWaalsContact O-SG 3.39Å | |||
| 985 | P | 51.1 | Low | 63.5 | Low | 87 Ų | 87 | 68.8 Ų | 68.8 | 57% | 0.565 | 37% | 0.374 | S | S | * | . | trans | -68.9 | 125.7 | 178.9 | 2.3 | 0.3 | 0 | 0 | 0 | 111.7 | G983 R987 | G983-P985 WeakPolarHBondContact O-CD 3.35Å; P985-R987 PolarHBondContact O-N 2.64Å | ||
| 986 | P | 51.1 | Low | 63.1 | Low | 88 Ų | 88 | 72.7 Ų | 72.7 | 57% | 0.571 | 40% | 0.401 | S | S | * | . | trans | -34.5 | 0 | -171 | 3.4 | 7.2 | 0 | 0 | 0 | 112.2 | C988 Q994 | P986-C988 PolarHBondContact O-N 3.18Å; P986-Q994 HydrophobicContact CB-CB 3.78Å; P986-Q994 HydrophobicContact CB-CG 3.55Å; P986-Q994 CovalentContact CB-OE1 1.22Å; P986-Q994 PolarHBondContact O-OE1 2.44Å | ||
| 987 | R | 53.5 | Low | 62.7 | Low | 93 Ų | 93 | 64.5 Ų | 64.5 | 35% | 0.351 | 38% | 0.379 | S | S | . | . | 0 | 68 | 0 | -79.1 | -170.7 | 169.3 | 156.5 | 1.8 | 111.4 | R968 C969 D970 E981 P985 C1000 | R968-R987 PolarHBondContact O-NH2 2.52Å; C969-R987 VanDerWaalsContact C-CD 3.45Å; C969-R987 CovalentContact C-NH2 0.63Å; C969-R987 HydrophobicContact CB-CG 4.14Å; C969-R987 WeakPolarHBondContact O-CD 3.48Å; C969-R987 WeakPolarHBondContact O-CG 3.3Å; C969-R987 CovalentContact O-CZ 0.86Å; C969-R987 CovalentContact O-NE 0.81Å; C969-R987 PolarHBondContact O-NE 2.95Å; C969-R987 PolarHBondContact O-NH1 3.04Å; C969-R987 PolarHBondContact O-NH2 2.48Å; D970-R987 VanDerWaalsContact CA-NE 3.26Å; D970-R987 CovalentContact N-NH2 0.81Å; D970-R987 PolarHBondContact O-NH1 2.66Å; D970-R987 IonicContact OD1-NH2 3.75Å; E981-R987 IonicContact OE1-NH2 3.61Å; P985-R987 PolarHBondContact O-N 2.64Å; R987-C1000 CovalentContact O-SG 1.99Å; R987-C1000 PolarHBondContact O-SG 3.1Å | |||
| 988 | C | 52.2 | Low | 62.5 | Low | 27 Ų | 27 | 61.8 Ų | 61.8 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | trans | -131.9 | 113.3 | 166 | -62.6 | 0 | 0 | 0 | 0 | 109.3 | P986 Q992 Q994 C1000 | P986-C988 PolarHBondContact O-N 3.18Å; C988-Q992 HydrophobicContact CB-CB 3.74Å; C988-Q992 WeakPolarHBondContact CB-O 3.31Å; C988-Q994 HydrophobicContact CB-CB 4.14Å; C988-Q994 WeakPolarHBondContact SG-CA 3.39Å; C988-Q994 WeakPolarHBondContact SG-CB 3.44Å; C988-Q994 WeakPolarHBondContact SG-CG 3.25Å; C988-Q994 PolarHBondContact SG-N 3.28Å; C988-C1000 HydrophobicContact CB-CB 3.95Å; C988-C1000 WeakPolarHBondContact SG-CA 3.32Å; C988-C1000 WeakPolarHBondContact SG-CB 3.45Å; C988-C1000 PolarHBondContact SG-SG 3.28Å | ||
| 989 | R | 55.9 | Low | 62.8 | Low | 189 Ų | 189 | 66 Ų | 66 | 71% | 0.713 | 39% | 0.391 | S | S | * | . | trans | -40.8 | 0 | 177.1 | -66.7 | -172.8 | 169.2 | 100.1 | -1.8 | 111.8 | G991 Q992 | R989-G991 CarbonylContact O-C 3.39Å; R989-G991 PolarHBondContact O-N 3.22Å; R989-Q992 HydrophobicContact CB-CB 4.48Å; R989-Q992 HydrophobicContact CB-CG 4.19Å; R989-Q992 VanDerWaalsContact O-CA 3.23Å; R989-Q992 WeakPolarHBondContact O-CA 3.1Å; R989-Q992 WeakPolarHBondContact O-CB 3.33Å; R989-Q992 PolarHBondContact O-N 2.46Å | ||
| 990 | P | 51.4 | Low | 62.8 | Low | 147 Ų | 147 | 68.2 Ų | 68.2 | 96% | 0.955 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 88.6 | 0 | -3.2 | 12.1 | 0 | 0 | 0 | 111.7 | |||
| 991 | G | 53.9 | Low | 62.6 | Low | 26 Ų | 26 | 68.9 Ų | 68.9 | 27% | 0.268 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 142 | -5.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | R989 E1002 Q1003 | R989-G991 CarbonylContact O-C 3.39Å; R989-G991 PolarHBondContact O-N 3.22Å; G991-E1002 CarbonylContact O-C 3.59Å; G991-Q1003 VanDerWaalsContact C-N 3.25Å; G991-Q1003 WeakPolarHBondContact O-CA 3.19Å; G991-Q1003 WeakPolarHBondContact O-CB 3.34Å; G991-Q1003 PolarHBondContact O-N 1.93Å |
| 992 | Q | 70.1 | Confident | 62.5 | Low | 53 Ų | 53 | 70.3 Ų | 70.3 | 25% | 0.248 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 131.6 | 179.4 | -67.8 | -174.9 | -10.5 | 0 | 0 | 108.9 | C988 R989 I1001 E1002 | C988-Q992 HydrophobicContact CB-CB 3.74Å; C988-Q992 WeakPolarHBondContact CB-O 3.31Å; R989-Q992 HydrophobicContact CB-CB 4.48Å; R989-Q992 HydrophobicContact CB-CG 4.19Å; R989-Q992 VanDerWaalsContact O-CA 3.23Å; R989-Q992 WeakPolarHBondContact O-CA 3.1Å; R989-Q992 WeakPolarHBondContact O-CB 3.33Å; R989-Q992 PolarHBondContact O-N 2.46Å; Q992-I1001 CarbonylContact C-O 3.56Å; Q992-I1001 WeakPolarHBondContact CA-O 3.34Å; Q992-I1001 WeakPolarHBondContact CB-O 3.07Å; Q992-E1002 HydrophobicContact CG-CG 4.09Å |
| 993 | Y | 67 | Low | 62.5 | Low | 48 Ų | 48 | 71.1 Ų | 71.1 | 19% | 0.188 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 126.6 | -178.5 | 173.5 | -101.3 | 0 | 0 | 0 | 110.7 | I1001 R1006 S1017 D1018 | Y993-I1001 WeakPolarHBondContact CA-O 3.27Å; Y993-I1001 HydrophobicContact CD1-CD1 3.94Å; Y993-I1001 HydrophobicContact CD1-CG1 3.98Å; Y993-I1001 PolarHBondContact N-O 3.38Å; Y993-I1001 VanDerWaalsContact O-CG1 3.25Å; Y993-I1001 WeakPolarHBondContact O-CG1 2.83Å; Y993-I1001 PolarHBondContact O-N 3.31Å; Y993-R1006 HydrophobicContact CD1-CB 4.12Å; Y993-R1006 HydrophobicContact CD1-CG 4.05Å; Y993-R1006 HydrophobicContact CD2-CB 4.28Å; Y993-R1006 HydrophobicContact CD2-CG 3.82Å; Y993-R1006 HydrophobicContact CE1-CG 4.29Å; Y993-R1006 HydrophobicContact CE2-CG 4.07Å; Y993-R1006 HydrophobicContact CG-CB 3.82Å; Y993-R1006 HydrophobicContact CG-CG 3.79Å; Y993-S1017 PolarHBondContact OH-O 3.31Å; Y993-S1017 VanDerWaalsContact OH-O 3.13Å; Y993-D1018 HydrophobicContact CD1-CB 4.15Å; Y993-D1018 VanDerWaalsContact CE1-CA 3.42Å; Y993-D1018 HydrophobicContact CE1-CB 4.01Å |
| 994 | Q | 73.2 | Confident | 63.1 | Low | 57 Ų | 57 | 73.4 Ų | 73.4 | 27% | 0.266 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 0 | -179.9 | -169.4 | 174.1 | 5.5 | 0 | 0 | 110.3 | P986 C988 | P986-Q994 HydrophobicContact CB-CB 3.78Å; P986-Q994 HydrophobicContact CB-CG 3.55Å; P986-Q994 CovalentContact CB-OE1 1.22Å; P986-Q994 PolarHBondContact O-OE1 2.44Å; C988-Q994 HydrophobicContact CB-CB 4.14Å; C988-Q994 WeakPolarHBondContact SG-CA 3.39Å; C988-Q994 WeakPolarHBondContact SG-CB 3.44Å; C988-Q994 WeakPolarHBondContact SG-CG 3.25Å; C988-Q994 PolarHBondContact SG-N 3.28Å |
| 995 | C | 71.8 | Confident | 63.7 | Low | 3 Ų | 3 | 74.2 Ų | 74.2 | 2% | 0.02 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | 0 | 137.4 | 0 | -78.3 | 0 | 0 | 0 | 0 | 109.6 | S997 G998 E999 C1013 | C995-S997 PolarHBondContact O-N 1.72Å; C995-G998 WeakPolarHBondContact O-CA 3.22Å; C995-G998 PolarHBondContact O-N 2.3Å; C995-E999 HydrophobicContact CB-CB 4.3Å; C995-E999 WeakPolarHBondContact CB-O 3.1Å; C995-E999 PolarHBondContact N-O 2.85Å; C995-C1013 WeakPolarHBondContact CA-SG 3.37Å; C995-C1013 HydrophobicContact CB-CB 3.44Å; C995-C1013 VanDerWaalsContact CB-CB 3.44Å; C995-C1013 WeakPolarHBondContact CB-SG 3.35Å; C995-C1013 WeakPolarHBondContact SG-CA 3.15Å; C995-C1013 WeakPolarHBondContact SG-CB 3.21Å; C995-C1013 CovalentContact SG-SG 0.77Å; C995-C1013 PolarHBondContact SG-SG 2.93Å | |
| 996 | S | 66.3 | Low | 64.2 | Low | 83 Ų | 83 | 73.9 Ų | 73.9 | 58% | 0.58 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | -22.1 | 176.4 | 2.7 | 0 | 0 | 0 | 0 | 111.8 | G998 S1017 | S996-G998 PolarHBondContact O-N 3.11Å; S996-S1017 WeakPolarHBondContact CB-OG 3.26Å; S996-S1017 PolarHBondContact N-OG 2.48Å; S996-S1017 WeakPolarHBondContact OG-CB 3.37Å; S996-S1017 CovalentContact OG-OG 1.7Å; S996-S1017 PolarHBondContact OG-OG 2.48Å |
| 997 | S | 65.1 | Low | 65.1 | Low | 55 Ų | 55 | 71.1 Ų | 71.1 | 39% | 0.385 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -0.2 | 178.5 | 61.8 | 0 | 0 | 0 | 0 | 110.9 | C995 | C995-S997 PolarHBondContact O-N 1.72Š|
| 998 | G | 63.7 | Low | 65.8 | Low | 49 Ų | 49 | 68.8 Ų | 68.8 | 51% | 0.505 | 37% | 0.37 | S | S | . | . | S | Bend | trans | 101.2 | 0 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | C995 S996 | C995-G998 WeakPolarHBondContact O-CA 3.22Å; C995-G998 PolarHBondContact O-N 2.3Å; S996-G998 PolarHBondContact O-N 3.11Å |
| 999 | E | 69.7 | Low | 66.4 | Low | 110 Ų | 110 | 70.8 Ų | 70.8 | 51% | 0.514 | 40% | 0.395 | S | S | . | . | 0 | 143.4 | 0 | -50.8 | -111.6 | 168.2 | 0 | 0 | 110.1 | C995 | C995-E999 HydrophobicContact CB-CB 4.3Å; C995-E999 WeakPolarHBondContact CB-O 3.1Å; C995-E999 PolarHBondContact N-O 2.85Å | |||
| 1000 | C | 71.8 | Confident | 66.8 | Low | 54 Ų | 54 | 70 Ų | 70 | 37% | 0.365 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 111.1 | -175.8 | -66.2 | 0 | 0 | 0 | 0 | 110.1 | R987 C988 | R987-C1000 CovalentContact O-SG 1.99Å; R987-C1000 PolarHBondContact O-SG 3.1Å; C988-C1000 HydrophobicContact CB-CB 3.95Å; C988-C1000 WeakPolarHBondContact SG-CA 3.32Å; C988-C1000 WeakPolarHBondContact SG-CB 3.45Å; C988-C1000 PolarHBondContact SG-SG 3.28Å |
| 1001 | I | 71.3 | Confident | 67.6 | Low | 13 Ų | 13 | 69.4 Ų | 69.4 | 7% | 0.067 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 143.6 | -179.4 | 54.9 | 169.5 | 0 | 0 | 0 | 108.4 | Q992 Y993 Q1003 M1005 D1012 D1018 | Q992-I1001 CarbonylContact C-O 3.56Å; Q992-I1001 WeakPolarHBondContact CA-O 3.34Å; Q992-I1001 WeakPolarHBondContact CB-O 3.07Å; Y993-I1001 WeakPolarHBondContact CA-O 3.27Å; Y993-I1001 HydrophobicContact CD1-CD1 3.94Å; Y993-I1001 HydrophobicContact CD1-CG1 3.98Å; Y993-I1001 PolarHBondContact N-O 3.38Å; Y993-I1001 VanDerWaalsContact O-CG1 3.25Å; Y993-I1001 WeakPolarHBondContact O-CG1 2.83Å; Y993-I1001 PolarHBondContact O-N 3.31Å; I1001-Q1003 PolarHBondContact O-N 1.58Å; I1001-M1005 HydrophobicContact CB-CB 3.81Å; I1001-M1005 HydrophobicContact CB-CE 3.47Å; I1001-M1005 VanDerWaalsContact CB-CE 3.47Å; I1001-M1005 HydrophobicContact CD1-CB 3.82Å; I1001-M1005 WeakPolarHBondContact CD1-O 3.43Å; I1001-M1005 HydrophobicContact CG1-CB 4.13Å; I1001-M1005 HydrophobicContact CG2-CE 3.75Å; I1001-D1012 HydrophobicContact CD1-CB 4.23Å; I1001-D1012 HydrophobicContact CG2-CB 4.19Å; I1001-D1018 HydrophobicContact CD1-CB 3.02Å; I1001-D1018 HydrophobicContact CG1-CB 4.39Å |
| 1002 | E | 71.4 | Confident | 68.3 | Low | 91 Ų | 91 | 71 Ų | 71 | 43% | 0.425 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.5 | 0 | -179.8 | -81.8 | -155.3 | -172.5 | 0 | 0 | 111.6 | G991 Q992 Q1004 M1005 | G991-E1002 CarbonylContact O-C 3.59Å; Q992-E1002 HydrophobicContact CG-CG 4.09Å; E1002-Q1004 HydrophobicContact CB-CG 3.68Å; E1002-Q1004 CarbonylContact O-C 3.51Å; E1002-Q1004 PolarHBondContact O-N 3.38Å; E1002-Q1004 VanDerWaalsContact OE2-CD 3.28Å; E1002-Q1004 PolarHBondContact OE2-NE2 3.5Å; E1002-M1005 VanDerWaalsContact C-N 3.31Å; E1002-M1005 HydrophobicContact CB-CE 4.37Å; E1002-M1005 HydrophobicContact CB-CG 4.04Å; E1002-M1005 WeakPolarHBondContact O-CA 3.29Å; E1002-M1005 WeakPolarHBondContact O-CB 3.25Å; E1002-M1005 PolarHBondContact O-N 2.77Å |
| 1003 | Q | 66.8 | Low | 68.6 | Low | 108 Ų | 108 | 68.6 Ų | 68.6 | 51% | 0.505 | 37% | 0.368 | S | S | . | . | G | 310 helix | 0 | 0 | 0 | -146.9 | 141 | 35.8 | 0 | 0 | 111 | G991 I1001 M1005 R1006 | G991-Q1003 VanDerWaalsContact C-N 3.25Å; G991-Q1003 WeakPolarHBondContact O-CA 3.19Å; G991-Q1003 WeakPolarHBondContact O-CB 3.34Å; G991-Q1003 PolarHBondContact O-N 1.93Å; I1001-Q1003 PolarHBondContact O-N 1.58Å; Q1003-M1005 PolarHBondContact O-N 1.27Å; Q1003-M1005 VanDerWaalsContact O-N 3.12Å; Q1003-R1006 WeakPolarHBondContact O-CB 2.82Å; Q1003-R1006 PolarHBondContact O-N 3.14Å | |
| 1004 | Q | 70.4 | Confident | 68.9 | Low | 120 Ų | 120 | 77 Ų | 77 | 56% | 0.561 | 40% | 0.399 | S | S | * | . | G | 310 helix | 0 | -16.8 | 0 | 51.5 | -173.5 | -8 | 0 | 0 | 111.5 | E1002 D1008 | E1002-Q1004 HydrophobicContact CB-CG 3.68Å; E1002-Q1004 CarbonylContact O-C 3.51Å; E1002-Q1004 PolarHBondContact O-N 3.38Å; E1002-Q1004 VanDerWaalsContact OE2-CD 3.28Å; E1002-Q1004 PolarHBondContact OE2-NE2 3.5Å; Q1004-D1008 VanDerWaalsContact O-CB 3.25Å; Q1004-D1008 WeakPolarHBondContact O-CB 2.86Å | |
| 1005 | M | 69.6 | Low | 68.6 | Low | 57 Ų | 57 | 79.2 Ų | 79.2 | 28% | 0.281 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -92.6 | -3.8 | -174.1 | -66.6 | -144.9 | -82.9 | 0 | 0 | 109.2 | I1001 E1002 Q1003 D1008 | I1001-M1005 HydrophobicContact CB-CB 3.81Å; I1001-M1005 HydrophobicContact CB-CE 3.47Å; I1001-M1005 VanDerWaalsContact CB-CE 3.47Å; I1001-M1005 HydrophobicContact CD1-CB 3.82Å; I1001-M1005 WeakPolarHBondContact CD1-O 3.43Å; I1001-M1005 HydrophobicContact CG1-CB 4.13Å; I1001-M1005 HydrophobicContact CG2-CE 3.75Å; E1002-M1005 VanDerWaalsContact C-N 3.31Å; E1002-M1005 HydrophobicContact CB-CE 4.37Å; E1002-M1005 HydrophobicContact CB-CG 4.04Å; E1002-M1005 WeakPolarHBondContact O-CA 3.29Å; E1002-M1005 WeakPolarHBondContact O-CB 3.25Å; E1002-M1005 PolarHBondContact O-N 2.77Å; Q1003-M1005 PolarHBondContact O-N 1.27Å; Q1003-M1005 VanDerWaalsContact O-N 3.12Å; M1005-D1008 WeakPolarHBondContact CA-OD2 3.42Å; M1005-D1008 VanDerWaalsContact O-OD1 3.04Å |
| 1006 | R | 61.8 | Low | 68.3 | Low | 81 Ų | 81 | 80.2 Ų | 80.2 | 31% | 0.306 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 113.4 | 165.9 | -173.7 | 177.3 | -174.7 | -121.3 | 0.7 | 110.9 | Y993 Q1003 G1021 | Y993-R1006 HydrophobicContact CD1-CB 4.12Å; Y993-R1006 HydrophobicContact CD1-CG 4.05Å; Y993-R1006 HydrophobicContact CD2-CB 4.28Å; Y993-R1006 HydrophobicContact CD2-CG 3.82Å; Y993-R1006 HydrophobicContact CE1-CG 4.29Å; Y993-R1006 HydrophobicContact CE2-CG 4.07Å; Y993-R1006 HydrophobicContact CG-CB 3.82Å; Y993-R1006 HydrophobicContact CG-CG 3.79Å; Q1003-R1006 WeakPolarHBondContact O-CB 2.82Å; Q1003-R1006 PolarHBondContact O-N 3.14Å; R1006-G1021 PolarHBondContact NH2-O 3.35Å |
| 1007 | C | 71.1 | Confident | 68.5 | Low | 29 Ų | 29 | 76.5 Ų | 76.5 | 20% | 0.196 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 0 | 178 | -65.5 | 0 | 0 | 0 | 0 | 110.3 | D1018 E1019 C1022 | C1007-D1018 PolarHBondContact N-O 2.98Å; C1007-D1018 VanDerWaalsContact N-O 3.11Å; C1007-E1019 WeakPolarHBondContact CA-OE2 3.09Å; C1007-C1022 WeakPolarHBondContact CA-SG 3.11Å; C1007-C1022 HydrophobicContact CB-CB 3.01Å; C1007-C1022 WeakPolarHBondContact CB-SG 3.24Å; C1007-C1022 PolarHBondContact N-SG 3.19Å; C1007-C1022 WeakPolarHBondContact SG-CA 3.39Å; C1007-C1022 CovalentContact SG-CB 1.71Å; C1007-C1022 WeakPolarHBondContact SG-CB 2.84Å; C1007-C1022 CovalentContact SG-SG 1.21Å; C1007-C1022 PolarHBondContact SG-SG 2.02Å |
| 1008 | D | 66.9 | Low | 69 | Low | 44 Ų | 44 | 73.9 Ų | 73.9 | 24% | 0.235 | 38% | 0.377 | C | S | . | . | S | Bend | 0 | 0 | 0 | 63.1 | -12.9 | 0 | 0 | 0 | 110.3 | Q1004 M1005 R1010 D1012 E1019 | Q1004-D1008 VanDerWaalsContact O-CB 3.25Å; Q1004-D1008 WeakPolarHBondContact O-CB 2.86Å; M1005-D1008 WeakPolarHBondContact CA-OD2 3.42Å; M1005-D1008 VanDerWaalsContact O-OD1 3.04Å; D1008-R1010 PolarHBondContact O-N 3.37Å; D1008-R1010 PolarHBondContact OD1-N 3Å; D1008-D1012 VanDerWaalsContact OD1-OD2 3.12Å; D1008-D1012 VanDerWaalsContact OD2-OD2 3.07Å; D1008-E1019 PolarHBondContact N-OE1 2.79Å | |
| 1009 | G | 65 | Low | 69.5 | Low | 69 Ų | 69 | 74.5 Ų | 74.5 | 71% | 0.711 | 37% | 0.367 | S | S | * | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1019 | G1009-E1019 PolarHBondContact N-OE1 3.26Å; G1009-E1019 PolarHBondContact N-OE2 2.46Å | |
| 1010 | R | 63.8 | Low | 69.1 | Low | 173 Ų | 173 | 73.4 Ų | 73.4 | 65% | 0.653 | 37% | 0.368 | S | S | * | . | S | Bend | 0 | 0 | 0 | -55.4 | -168.2 | -88.6 | -158.8 | 0.2 | 109.3 | D1008 D1012 E1019 | D1008-R1010 PolarHBondContact O-N 3.37Å; D1008-R1010 PolarHBondContact OD1-N 3Å; R1010-D1012 PolarHBondContact O-N 2.38Å; R1010-E1019 PolarHBondContact N-OE1 2.74Å; R1010-E1019 VanDerWaalsContact N-OE1 3.16Å | |
| 1011 | Q | 69.1 | Low | 68.3 | Low | 134 Ų | 134 | 74.1 Ų | 74.1 | 63% | 0.626 | 39% | 0.385 | S | S | * | . | 0 | 84.5 | 0 | -153 | -178.7 | 12.9 | 0 | 0 | 111 | C1013 A1016 | Q1011-C1013 VanDerWaalsContact CG-O 3.28Å; Q1011-C1013 WeakPolarHBondContact CG-O 3.17Å; Q1011-A1016 HydrophobicContact CG-CB 3.35Å; Q1011-A1016 VanDerWaalsContact NE2-CA 3.27Å | |||
| 1012 | D | 69.5 | Low | 67.7 | Low | 60 Ų | 60 | 75.5 Ų | 75.5 | 32% | 0.321 | 40% | 0.395 | S | S | . | . | trans | -86.4 | 0 | -178.3 | -64.2 | -49.1 | 0 | 0 | 0 | 110.2 | I1001 D1008 R1010 D1018 | I1001-D1012 HydrophobicContact CD1-CB 4.23Å; I1001-D1012 HydrophobicContact CG2-CB 4.19Å; D1008-D1012 VanDerWaalsContact OD1-OD2 3.12Å; D1008-D1012 VanDerWaalsContact OD2-OD2 3.07Å; R1010-D1012 PolarHBondContact O-N 2.38Å; D1012-D1018 WeakPolarHBondContact CA-OD2 3.42Å; D1012-D1018 WeakPolarHBondContact CB-OD2 3.21Å; D1012-D1018 PolarHBondContact N-OD1 3.23Å; D1012-D1018 PolarHBondContact N-OD2 3.2Å | ||
| 1013 | C | 75.8 | Confident | 66.7 | Low | 3 Ų | 3 | 75.6 Ų | 75.6 | 2% | 0.02 | 40% | 0.403 | C | S | . | . | S | Bend | 0 | 131.9 | 0 | -93.3 | 0 | 0 | 0 | 0 | 109.7 | C995 Q1011 D1015 A1016 D1018 | C995-C1013 WeakPolarHBondContact CA-SG 3.37Å; C995-C1013 HydrophobicContact CB-CB 3.44Å; C995-C1013 VanDerWaalsContact CB-CB 3.44Å; C995-C1013 WeakPolarHBondContact CB-SG 3.35Å; C995-C1013 WeakPolarHBondContact SG-CA 3.15Å; C995-C1013 WeakPolarHBondContact SG-CB 3.21Å; C995-C1013 CovalentContact SG-SG 0.77Å; C995-C1013 PolarHBondContact SG-SG 2.93Å; Q1011-C1013 VanDerWaalsContact CG-O 3.28Å; Q1011-C1013 WeakPolarHBondContact CG-O 3.17Å; C1013-D1015 PolarHBondContact O-N 3.25Å; C1013-A1016 WeakPolarHBondContact O-CA 2.93Å; C1013-A1016 PolarHBondContact O-N 3.16Å; C1013-D1018 HydrophobicContact CB-CB 3.9Å; C1013-D1018 WeakPolarHBondContact CB-OD1 2.64Å; C1013-D1018 PolarHBondContact N-OD1 3.24Å; C1013-D1018 VanDerWaalsContact N-OD1 3.15Å | |
| 1014 | R | 72 | Confident | 66 | Low | 223 Ų | 223 | 73.9 Ų | 73.9 | 84% | 0.842 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 0 | -176.6 | -102.2 | -177.1 | 170.8 | 165.6 | 0.7 | 111.1 | ||
| 1015 | D | 66.9 | Low | 65.2 | Low | 105 Ų | 105 | 75.1 Ų | 75.1 | 56% | 0.561 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 12.7 | 0 | -161.6 | 3.2 | 0 | 0 | 0 | 110.3 | C1013 S1017 | C1013-D1015 PolarHBondContact O-N 3.25Å; D1015-S1017 PolarHBondContact O-N 3.23Å | |
| 1016 | A | 65.5 | Low | 64.5 | Low | 23 Ų | 23 | 74 Ų | 74 | 19% | 0.19 | 40% | 0.399 | C | S | . | . | S | Bend | trans | 58.5 | 25.5 | 178 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q1011 C1013 D1018 E1019 T1020 | Q1011-A1016 HydrophobicContact CG-CB 3.35Å; Q1011-A1016 VanDerWaalsContact NE2-CA 3.27Å; C1013-A1016 WeakPolarHBondContact O-CA 2.93Å; C1013-A1016 PolarHBondContact O-N 3.16Å; A1016-D1018 VanDerWaalsContact C-N 3.27Å; A1016-D1018 PolarHBondContact O-N 3.36Å; A1016-E1019 PolarHBondContact O-N 3.5Å; A1016-T1020 WeakPolarHBondContact O-CG2 3.48Å |
| 1017 | S | 71.6 | Confident | 64.3 | Low | 5 Ų | 5 | 79.2 Ų | 79.2 | 4% | 0.035 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -75.3 | 0 | -178.2 | -49.2 | 0 | 0 | 0 | 0 | 110.9 | Y993 S996 D1015 E1019 T1020 | Y993-S1017 PolarHBondContact OH-O 3.31Å; Y993-S1017 VanDerWaalsContact OH-O 3.13Å; S996-S1017 WeakPolarHBondContact CB-OG 3.26Å; S996-S1017 PolarHBondContact N-OG 2.48Å; S996-S1017 WeakPolarHBondContact OG-CB 3.37Å; S996-S1017 CovalentContact OG-OG 1.7Å; S996-S1017 PolarHBondContact OG-OG 2.48Å; D1015-S1017 PolarHBondContact O-N 3.23Å; S1017-E1019 PolarHBondContact O-N 2.81Å; S1017-T1020 PolarHBondContact O-N 3.08Å; S1017-T1020 PolarHBondContact O-OG1 3.39Å; S1017-T1020 VanDerWaalsContact O-OG1 3.05Å |
| 1018 | D | 75.4 | Confident | 63.4 | Low | 0 Ų | 0 | 84.7 Ų | 84.7 | 0% | 0 | 45% | 0.454 | C | S | . | . | G | 310 helix | 0 | 0.3 | 0 | 70.2 | -40.2 | 0 | 0 | 0 | 111.4 | Y993 I1001 C1007 D1012 C1013 A1016 | Y993-D1018 HydrophobicContact CD1-CB 4.15Å; Y993-D1018 VanDerWaalsContact CE1-CA 3.42Å; Y993-D1018 HydrophobicContact CE1-CB 4.01Å; I1001-D1018 HydrophobicContact CD1-CB 3.02Å; I1001-D1018 HydrophobicContact CG1-CB 4.39Å; C1007-D1018 PolarHBondContact N-O 2.98Å; C1007-D1018 VanDerWaalsContact N-O 3.11Å; D1012-D1018 WeakPolarHBondContact CA-OD2 3.42Å; D1012-D1018 WeakPolarHBondContact CB-OD2 3.21Å; D1012-D1018 PolarHBondContact N-OD1 3.23Å; D1012-D1018 PolarHBondContact N-OD2 3.2Å; C1013-D1018 HydrophobicContact CB-CB 3.9Å; C1013-D1018 WeakPolarHBondContact CB-OD1 2.64Å; C1013-D1018 PolarHBondContact N-OD1 3.24Å; C1013-D1018 VanDerWaalsContact N-OD1 3.15Å; A1016-D1018 VanDerWaalsContact C-N 3.27Å; A1016-D1018 PolarHBondContact O-N 3.36Å | |
| 1019 | E | 73.5 | Confident | 62.7 | Low | 62 Ų | 62 | 84 Ų | 84 | 29% | 0.29 | 46% | 0.457 | S | S | . | . | G | 310 helix | trans | -128.5 | 0 | -179.7 | -62.2 | -70.3 | 161.5 | 0 | 0 | 109.8 | C1007 D1008 G1009 R1010 A1016 S1017 | C1007-E1019 WeakPolarHBondContact CA-OE2 3.09Å; D1008-E1019 PolarHBondContact N-OE1 2.79Å; G1009-E1019 PolarHBondContact N-OE1 3.26Å; G1009-E1019 PolarHBondContact N-OE2 2.46Å; R1010-E1019 PolarHBondContact N-OE1 2.74Å; R1010-E1019 VanDerWaalsContact N-OE1 3.16Å; A1016-E1019 PolarHBondContact O-N 3.5Å; S1017-E1019 PolarHBondContact O-N 2.81Å |
| 1020 | T | 62.2 | Low | 63 | Low | 87 Ų | 87 | 83.4 Ų | 83.4 | 53% | 0.534 | 44% | 0.435 | S | S | . | . | S | Bend | 0 | 0 | 0 | 55.2 | 0 | 0 | 0 | 0 | 108.7 | A1016 S1017 | A1016-T1020 WeakPolarHBondContact O-CG2 3.48Å; S1017-T1020 PolarHBondContact O-N 3.08Å; S1017-T1020 PolarHBondContact O-OG1 3.39Å; S1017-T1020 VanDerWaalsContact O-OG1 3.05Å | |
| 1021 | G | 55.2 | Low | 63.2 | Low | 70 Ų | 70 | 77.5 Ų | 77.5 | 72% | 0.722 | 41% | 0.413 | S | S | * | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.3 | R1006 | R1006-G1021 PolarHBondContact NH2-O 3.35Š| |
| 1022 | C | 57.9 | Low | 63.3 | Low | 41 Ų | 41 | 73.1 Ų | 73.1 | 28% | 0.277 | 39% | 0.393 | S | S | . | . | 0 | 0 | 0 | -64 | 0 | 0 | 0 | 0 | 110.2 | C1007 | C1007-C1022 WeakPolarHBondContact CA-SG 3.11Å; C1007-C1022 HydrophobicContact CB-CB 3.01Å; C1007-C1022 WeakPolarHBondContact CB-SG 3.24Å; C1007-C1022 PolarHBondContact N-SG 3.19Å; C1007-C1022 WeakPolarHBondContact SG-CA 3.39Å; C1007-C1022 CovalentContact SG-CB 1.71Å; C1007-C1022 WeakPolarHBondContact SG-CB 2.84Å; C1007-C1022 CovalentContact SG-SG 1.21Å; C1007-C1022 PolarHBondContact SG-SG 2.02Å | |||
| 1023 | P | 50.4 | Low | 63.3 | Low | 93 Ų | 93 | 70.4 Ų | 70.4 | 60% | 0.604 | 38% | 0.378 | S | S | * | . | 0 | 126.2 | 0 | 2.2 | 1.4 | 0 | 0 | 0 | 111.7 | R1025 | P1023-R1025 PolarHBondContact O-N 3.4Š| |||
| 1024 | P | 52.5 | Low | 62.8 | Low | 73 Ų | 73 | 74 Ų | 74 | 47% | 0.474 | 40% | 0.404 | S | S | . | . | trans | -54.8 | 0 | -170.8 | 5.7 | 6.1 | 0 | 0 | 0 | 113.1 | Q1032 | P1024-Q1032 CovalentContact CA-NE2 1.13Å; P1024-Q1032 HydrophobicContact CB-CB 3Å; P1024-Q1032 CovalentContact CB-CD 1.14Å; P1024-Q1032 HydrophobicContact CB-CG 2.22Å; P1024-Q1032 CovalentContact CB-OE1 1.33Å; P1024-Q1032 HydrophobicContact CG-CB 4.04Å; P1024-Q1032 HydrophobicContact CG-CG 3.62Å; P1024-Q1032 PolarHBondContact O-NE2 3.33Å; P1024-Q1032 VanDerWaalsContact O-NE2 3.15Å; P1024-Q1032 PolarHBondContact O-OE1 3.06Å | ||
| 1025 | R | 54.3 | Low | 62.5 | Low | 146 Ų | 146 | 65.7 Ų | 65.7 | 55% | 0.551 | 38% | 0.38 | S | S | * | . | 0 | 0 | 0 | -77 | -169.4 | 168 | 153.5 | -0.5 | 111.5 | P1023 C1038 | P1023-R1025 PolarHBondContact O-N 3.4Å; R1025-C1038 WeakPolarHBondContact O-CB 3.23Å; R1025-C1038 CovalentContact O-SG 1.35Å; R1025-C1038 PolarHBondContact O-SG 3.47Å | |||
| 1026 | C | 53.8 | Low | 62.2 | Low | 33 Ų | 33 | 62.9 Ų | 62.9 | 22% | 0.223 | 38% | 0.376 | C | S | . | . | 0 | 123.6 | 0 | -65.6 | 0 | 0 | 0 | 0 | 109.3 | Q1030 Q1032 C1038 | C1026-Q1030 HydrophobicContact CB-CB 3.67Å; C1026-Q1030 WeakPolarHBondContact CB-O 3.32Å; C1026-Q1032 HydrophobicContact CB-CB 4.08Å; C1026-Q1032 WeakPolarHBondContact SG-CA 3.41Å; C1026-Q1032 WeakPolarHBondContact SG-CB 3.35Å; C1026-Q1032 PolarHBondContact SG-N 3.43Å; C1026-Q1032 VanDerWaalsContact SG-N 3.39Å; C1026-C1038 WeakPolarHBondContact CA-SG 3.31Å; C1026-C1038 HydrophobicContact CB-CB 3.26Å; C1026-C1038 WeakPolarHBondContact CB-SG 3.41Å; C1026-C1038 PolarHBondContact N-SG 2.83Å; C1026-C1038 WeakPolarHBondContact SG-CA 3.16Å; C1026-C1038 WeakPolarHBondContact SG-CB 3.4Å; C1026-C1038 CovalentContact SG-SG 2.04Å; C1026-C1038 PolarHBondContact SG-SG 3.23Å | |||
| 1027 | R | 57.5 | Low | 62.4 | Low | 191 Ų | 191 | 66.3 Ų | 66.3 | 72% | 0.721 | 39% | 0.388 | S | S | * | . | trans | -48.3 | 0 | 177.6 | -67.1 | -174.1 | 169.2 | 100.1 | -2.1 | 111.8 | G1029 Q1030 | R1027-G1029 CarbonylContact O-C 3.51Å; R1027-G1029 PolarHBondContact O-N 0.98Å; R1027-Q1030 HydrophobicContact CB-CG 4.3Å; R1027-Q1030 VanDerWaalsContact O-CA 3.3Å; R1027-Q1030 WeakPolarHBondContact O-CA 3.49Å; R1027-Q1030 WeakPolarHBondContact O-CB 2.81Å; R1027-Q1030 PolarHBondContact O-N 3.12Å | ||
| 1028 | P | 51.7 | Low | 62.4 | Low | 144 Ų | 144 | 68.3 Ų | 68.3 | 94% | 0.935 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 93.7 | 0 | -4 | 13.3 | 0 | 0 | 0 | 111.6 | |||
| 1029 | G | 54.1 | Low | 62.3 | Low | 29 Ų | 29 | 68.9 Ų | 68.9 | 30% | 0.299 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 135.3 | -0.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | R1027 E1040 Q1041 | R1027-G1029 CarbonylContact O-C 3.51Å; R1027-G1029 PolarHBondContact O-N 0.98Å; G1029-E1040 CarbonylContact O-C 3.52Å; G1029-Q1041 WeakPolarHBondContact O-CA 3.09Å; G1029-Q1041 WeakPolarHBondContact O-CB 2.98Å; G1029-Q1041 PolarHBondContact O-N 2.92Å |
| 1030 | Q | 70.9 | Confident | 62.3 | Low | 57 Ų | 57 | 70.4 Ų | 70.4 | 27% | 0.266 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 128 | 179.4 | -68.6 | -175.7 | -13 | 0 | 0 | 109.3 | C1026 R1027 I1039 E1040 | C1026-Q1030 HydrophobicContact CB-CB 3.67Å; C1026-Q1030 WeakPolarHBondContact CB-O 3.32Å; R1027-Q1030 HydrophobicContact CB-CG 4.3Å; R1027-Q1030 VanDerWaalsContact O-CA 3.3Å; R1027-Q1030 WeakPolarHBondContact O-CA 3.49Å; R1027-Q1030 WeakPolarHBondContact O-CB 2.81Å; R1027-Q1030 PolarHBondContact O-N 3.12Å; Q1030-I1039 CarbonylContact C-O 3.51Å; Q1030-I1039 WeakPolarHBondContact CA-O 3.11Å; Q1030-I1039 WeakPolarHBondContact CB-O 3.24Å; Q1030-E1040 HydrophobicContact CG-CG 4.28Å |
| 1031 | Y | 67.5 | Low | 62.5 | Low | 48 Ų | 48 | 72.4 Ų | 72.4 | 19% | 0.188 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 125.4 | 178.6 | 174 | -101.3 | 0 | 0 | 0 | 110.9 | I1039 R1044 S1055 D1056 | Y1031-I1039 WeakPolarHBondContact CA-O 3.36Å; Y1031-I1039 HydrophobicContact CD1-CD1 4.02Å; Y1031-I1039 HydrophobicContact CD1-CG1 4.01Å; Y1031-I1039 PolarHBondContact N-O 3.38Å; Y1031-I1039 VanDerWaalsContact O-CG1 3.27Å; Y1031-I1039 WeakPolarHBondContact O-CG1 2.26Å; Y1031-I1039 PolarHBondContact O-N 3Å; Y1031-R1044 HydrophobicContact CD1-CB 4.26Å; Y1031-R1044 HydrophobicContact CD1-CG 4.14Å; Y1031-R1044 HydrophobicContact CD2-CB 4.37Å; Y1031-R1044 HydrophobicContact CD2-CG 3.9Å; Y1031-R1044 HydrophobicContact CE1-CG 4.29Å; Y1031-R1044 VanDerWaalsContact CE2-CD 3.41Å; Y1031-R1044 HydrophobicContact CE2-CG 4.06Å; Y1031-R1044 HydrophobicContact CG-CB 3.98Å; Y1031-R1044 HydrophobicContact CG-CG 3.94Å; Y1031-S1055 PolarHBondContact OH-O 2.85Å; Y1031-D1056 HydrophobicContact CD1-CB 3.92Å; Y1031-D1056 HydrophobicContact CE1-CB 3.79Å |
| 1032 | Q | 71.5 | Confident | 63.4 | Low | 43 Ų | 43 | 75.5 Ų | 75.5 | 20% | 0.201 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 119.6 | -179.7 | -169.2 | 173.6 | 4.8 | 0 | 0 | 110.3 | P1024 C1026 | P1024-Q1032 CovalentContact CA-NE2 1.13Å; P1024-Q1032 HydrophobicContact CB-CB 3Å; P1024-Q1032 CovalentContact CB-CD 1.14Å; P1024-Q1032 HydrophobicContact CB-CG 2.22Å; P1024-Q1032 CovalentContact CB-OE1 1.33Å; P1024-Q1032 HydrophobicContact CG-CB 4.04Å; P1024-Q1032 HydrophobicContact CG-CG 3.62Å; P1024-Q1032 PolarHBondContact O-NE2 3.33Å; P1024-Q1032 VanDerWaalsContact O-NE2 3.15Å; P1024-Q1032 PolarHBondContact O-OE1 3.06Å; C1026-Q1032 HydrophobicContact CB-CB 4.08Å; C1026-Q1032 WeakPolarHBondContact SG-CA 3.41Å; C1026-Q1032 WeakPolarHBondContact SG-CB 3.35Å; C1026-Q1032 PolarHBondContact SG-N 3.43Å; C1026-Q1032 VanDerWaalsContact SG-N 3.39Å |
| 1033 | C | 68.8 | Low | 64 | Low | 2 Ų | 2 | 76 Ų | 76 | 1% | 0.014 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 134.8 | 178 | -75.6 | 0 | 0 | 0 | 0 | 110.4 | S1035 G1036 E1037 C1051 | C1033-S1035 PolarHBondContact O-N 3.46Å; C1033-S1035 VanDerWaalsContact O-N 3.12Å; C1033-G1036 VanDerWaalsContact C-N 3.33Å; C1033-G1036 WeakPolarHBondContact O-CA 3.47Å; C1033-G1036 PolarHBondContact O-N 2.92Å; C1033-E1037 HydrophobicContact CB-CB 4.28Å; C1033-E1037 WeakPolarHBondContact CB-O 2.05Å; C1033-E1037 PolarHBondContact N-O 2.79Å; C1033-C1051 WeakPolarHBondContact CA-SG 3.08Å; C1033-C1051 HydrophobicContact CB-CB 2.98Å; C1033-C1051 CovalentContact CB-SG 1.82Å; C1033-C1051 WeakPolarHBondContact CB-SG 2.58Å; C1033-C1051 WeakPolarHBondContact SG-CA 3.22Å; C1033-C1051 WeakPolarHBondContact SG-CB 3.49Å; C1033-C1051 CovalentContact SG-SG 0.45Å; C1033-C1051 PolarHBondContact SG-SG 3.38Å |
| 1034 | S | 65.9 | Low | 64.6 | Low | 80 Ų | 80 | 76.3 Ų | 76.3 | 56% | 0.559 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.2 | -24.7 | 175.4 | 16.3 | 0 | 0 | 0 | 0 | 111.7 | G1036 S1055 | S1034-G1036 PolarHBondContact O-N 3.19Å; S1034-S1055 WeakPolarHBondContact CA-OG 2.98Å; S1034-S1055 WeakPolarHBondContact CB-OG 3.46Å; S1034-S1055 PolarHBondContact N-OG 2.86Å; S1034-S1055 WeakPolarHBondContact OG-CA 2.77Å; S1034-S1055 WeakPolarHBondContact OG-CB 3.34Å; S1034-S1055 CovalentContact OG-OG 1.23Å; S1034-S1055 PolarHBondContact OG-OG 2.98Å |
| 1035 | S | 64.7 | Low | 65.6 | Low | 48 Ų | 48 | 73.7 Ų | 73.7 | 34% | 0.336 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 0 | 176.3 | 60.4 | 0 | 0 | 0 | 0 | 111.2 | C1033 R1052 D1053 | C1033-S1035 PolarHBondContact O-N 3.46Å; C1033-S1035 VanDerWaalsContact O-N 3.12Å; S1035-R1052 PolarHBondContact OG-N 2.74Å; S1035-D1053 PolarHBondContact OG-N 3.36Å |
| 1036 | G | 61.7 | Low | 66.2 | Low | 46 Ų | 46 | 68.7 Ų | 68.7 | 47% | 0.474 | 37% | 0.366 | S | S | . | . | S | Bend | 0 | 3.4 | 0 | 0 | 0 | 0 | 0 | 0 | 111.9 | C1033 S1034 | C1033-G1036 VanDerWaalsContact C-N 3.33Å; C1033-G1036 WeakPolarHBondContact O-CA 3.47Å; C1033-G1036 PolarHBondContact O-N 2.92Å; S1034-G1036 PolarHBondContact O-N 3.19Å | |
| 1037 | E | 68.3 | Low | 66.8 | Low | 95 Ų | 95 | 70.5 Ų | 70.5 | 44% | 0.444 | 39% | 0.39 | S | S | . | . | trans | -92.7 | 145.7 | 175.7 | -50.2 | -109.4 | 170.9 | 0 | 0 | 110 | C1033 | C1033-E1037 HydrophobicContact CB-CB 4.28Å; C1033-E1037 WeakPolarHBondContact CB-O 2.05Å; C1033-E1037 PolarHBondContact N-O 2.79Å | ||
| 1038 | C | 72.9 | Confident | 67.1 | Low | 46 Ų | 46 | 69.2 Ų | 69.2 | 31% | 0.311 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 0 | -175.8 | -65.7 | 0 | 0 | 0 | 0 | 110.3 | R1025 C1026 | R1025-C1038 WeakPolarHBondContact O-CB 3.23Å; R1025-C1038 CovalentContact O-SG 1.35Å; R1025-C1038 PolarHBondContact O-SG 3.47Å; C1026-C1038 WeakPolarHBondContact CA-SG 3.31Å; C1026-C1038 HydrophobicContact CB-CB 3.26Å; C1026-C1038 WeakPolarHBondContact CB-SG 3.41Å; C1026-C1038 PolarHBondContact N-SG 2.83Å; C1026-C1038 WeakPolarHBondContact SG-CA 3.16Å; C1026-C1038 WeakPolarHBondContact SG-CB 3.4Å; C1026-C1038 CovalentContact SG-SG 2.04Å; C1026-C1038 PolarHBondContact SG-SG 3.23Å |
| 1039 | I | 72.2 | Confident | 67.9 | Low | 12 Ų | 12 | 68.7 Ų | 68.7 | 6% | 0.062 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 147.5 | 0 | 56 | 169.6 | 0 | 0 | 0 | 108.3 | Q1030 Y1031 M1043 D1050 D1056 | Q1030-I1039 CarbonylContact C-O 3.51Å; Q1030-I1039 WeakPolarHBondContact CA-O 3.11Å; Q1030-I1039 WeakPolarHBondContact CB-O 3.24Å; Y1031-I1039 WeakPolarHBondContact CA-O 3.36Å; Y1031-I1039 HydrophobicContact CD1-CD1 4.02Å; Y1031-I1039 HydrophobicContact CD1-CG1 4.01Å; Y1031-I1039 PolarHBondContact N-O 3.38Å; Y1031-I1039 VanDerWaalsContact O-CG1 3.27Å; Y1031-I1039 WeakPolarHBondContact O-CG1 2.26Å; Y1031-I1039 PolarHBondContact O-N 3Å; I1039-M1043 HydrophobicContact CB-CB 3.9Å; I1039-M1043 HydrophobicContact CB-CE 3.41Å; I1039-M1043 VanDerWaalsContact CB-CE 3.41Å; I1039-M1043 HydrophobicContact CB-SD 4.46Å; I1039-M1043 HydrophobicContact CD1-CB 3.72Å; I1039-M1043 WeakPolarHBondContact CD1-O 3.32Å; I1039-M1043 HydrophobicContact CG1-CB 4.12Å; I1039-M1043 HydrophobicContact CG2-CE 3.83Å; I1039-D1050 HydrophobicContact CD1-CB 3.9Å; I1039-D1050 HydrophobicContact CG2-CB 3.87Å; I1039-D1056 HydrophobicContact CD1-CB 2.94Å; I1039-D1056 WeakPolarHBondContact CD1-OD2 3.25Å; I1039-D1056 HydrophobicContact CG1-CB 4.22Å | |
| 1040 | E | 73.5 | Confident | 68.5 | Low | 95 Ų | 95 | 69.9 Ų | 69.9 | 44% | 0.444 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 124.4 | -179.3 | -79.5 | -150.1 | -175.2 | 0 | 0 | 111.1 | G1029 Q1030 Q1042 M1043 | G1029-E1040 CarbonylContact O-C 3.52Å; Q1030-E1040 HydrophobicContact CG-CG 4.28Å; E1040-Q1042 HydrophobicContact CB-CG 3.88Å; E1040-Q1042 CarbonylContact O-C 3.44Å; E1040-Q1042 PolarHBondContact O-N 3.33Å; E1040-Q1042 PolarHBondContact OE2-NE2 3.08Å; E1040-M1043 HydrophobicContact CB-CE 4.13Å; E1040-M1043 HydrophobicContact CB-CG 4.12Å; E1040-M1043 WeakPolarHBondContact O-CA 3.17Å; E1040-M1043 WeakPolarHBondContact O-CB 2.57Å; E1040-M1043 WeakPolarHBondContact O-CG 1.47Å; E1040-M1043 PolarHBondContact O-N 3.24Å |
| 1041 | Q | 67.8 | Low | 68.7 | Low | 128 Ų | 128 | 67.3 Ų | 67.3 | 60% | 0.598 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -36.6 | -27.2 | -171.7 | -126.5 | 157.3 | 36 | 0 | 0 | 111 | G1029 M1043 R1044 | G1029-Q1041 WeakPolarHBondContact O-CA 3.09Å; G1029-Q1041 WeakPolarHBondContact O-CB 2.98Å; G1029-Q1041 PolarHBondContact O-N 2.92Å; Q1041-M1043 PolarHBondContact O-N 3.24Å; Q1041-R1044 VanDerWaalsContact O-CB 3.27Å; Q1041-R1044 WeakPolarHBondContact O-CB 3.34Å; Q1041-R1044 PolarHBondContact O-N 3.04Å |
| 1042 | Q | 72.4 | Confident | 69 | Low | 136 Ų | 136 | 75.3 Ų | 75.3 | 64% | 0.636 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -73.6 | -13.5 | -178.4 | 51.2 | -173.2 | -12.7 | 0 | 0 | 111.3 | E1040 D1046 | E1040-Q1042 HydrophobicContact CB-CG 3.88Å; E1040-Q1042 CarbonylContact O-C 3.44Å; E1040-Q1042 PolarHBondContact O-N 3.33Å; E1040-Q1042 PolarHBondContact OE2-NE2 3.08Å; Q1042-D1046 VanDerWaalsContact O-CB 3.29Å; Q1042-D1046 WeakPolarHBondContact O-CB 2.25Å |
| 1043 | M | 71.7 | Confident | 68.7 | Low | 50 Ų | 50 | 78 Ų | 78 | 25% | 0.246 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -96.3 | 0 | -173.5 | -66.9 | -148.4 | -82.2 | 0 | 0 | 109.2 | I1039 E1040 Q1041 D1046 | I1039-M1043 HydrophobicContact CB-CB 3.9Å; I1039-M1043 HydrophobicContact CB-CE 3.41Å; I1039-M1043 VanDerWaalsContact CB-CE 3.41Å; I1039-M1043 HydrophobicContact CB-SD 4.46Å; I1039-M1043 HydrophobicContact CD1-CB 3.72Å; I1039-M1043 WeakPolarHBondContact CD1-O 3.32Å; I1039-M1043 HydrophobicContact CG1-CB 4.12Å; I1039-M1043 HydrophobicContact CG2-CE 3.83Å; E1040-M1043 HydrophobicContact CB-CE 4.13Å; E1040-M1043 HydrophobicContact CB-CG 4.12Å; E1040-M1043 WeakPolarHBondContact O-CA 3.17Å; E1040-M1043 WeakPolarHBondContact O-CB 2.57Å; E1040-M1043 WeakPolarHBondContact O-CG 1.47Å; E1040-M1043 PolarHBondContact O-N 3.24Å; Q1041-M1043 PolarHBondContact O-N 3.24Å; M1043-D1046 VanDerWaalsContact CA-OD2 3.26Å; M1043-D1046 WeakPolarHBondContact CA-OD2 3.39Å; M1043-D1046 VanDerWaalsContact O-OD1 3.08Å |
| 1044 | R | 63.5 | Low | 68.6 | Low | 100 Ų | 100 | 79 Ų | 79 | 38% | 0.377 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 114.2 | 0 | -172.4 | 178.7 | -175.9 | -121.5 | 0.7 | 110.4 | Y1031 Q1041 | Y1031-R1044 HydrophobicContact CD1-CB 4.26Å; Y1031-R1044 HydrophobicContact CD1-CG 4.14Å; Y1031-R1044 HydrophobicContact CD2-CB 4.37Å; Y1031-R1044 HydrophobicContact CD2-CG 3.9Å; Y1031-R1044 HydrophobicContact CE1-CG 4.29Å; Y1031-R1044 VanDerWaalsContact CE2-CD 3.41Å; Y1031-R1044 HydrophobicContact CE2-CG 4.06Å; Y1031-R1044 HydrophobicContact CG-CB 3.98Å; Y1031-R1044 HydrophobicContact CG-CG 3.94Å; Q1041-R1044 VanDerWaalsContact O-CB 3.27Å; Q1041-R1044 WeakPolarHBondContact O-CB 3.34Å; Q1041-R1044 PolarHBondContact O-N 3.04Å | |
| 1045 | C | 71.8 | Confident | 68.8 | Low | 19 Ų | 19 | 75.3 Ų | 75.3 | 13% | 0.128 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 0 | 178.5 | -65.6 | 0 | 0 | 0 | 0 | 110.7 | D1056 E1057 C1060 R1063 | C1045-D1056 PolarHBondContact N-O 2.62Å; C1045-D1056 VanDerWaalsContact N-O 3.17Å; C1045-E1057 VanDerWaalsContact CA-OE2 3.29Å; C1045-E1057 WeakPolarHBondContact CA-OE2 3.48Å; C1045-C1060 WeakPolarHBondContact CA-SG 2.89Å; C1045-C1060 HydrophobicContact CB-CB 3.48Å; C1045-C1060 VanDerWaalsContact CB-CB 3.48Å; C1045-C1060 WeakPolarHBondContact CB-SG 2.6Å; C1045-C1060 WeakPolarHBondContact SG-CA 2.76Å; C1045-C1060 CovalentContact SG-CB 2.22Å; C1045-C1060 WeakPolarHBondContact SG-CB 2.9Å; C1045-C1060 CovalentContact SG-SG 1.67Å; C1045-C1060 PolarHBondContact SG-SG 3.43Å; C1045-R1063 VanDerWaalsContact O-CZ 3.31Å; C1045-R1063 PolarHBondContact O-NH1 3.05Å |
| 1046 | D | 68.2 | Low | 69.3 | Low | 40 Ų | 40 | 73 Ų | 73 | 21% | 0.214 | 37% | 0.37 | C | S | . | . | S | Bend | 0 | 0 | 0 | 63 | -12.2 | 0 | 0 | 0 | 110.2 | Q1042 M1043 R1048 E1057 | Q1042-D1046 VanDerWaalsContact O-CB 3.29Å; Q1042-D1046 WeakPolarHBondContact O-CB 2.25Å; M1043-D1046 VanDerWaalsContact CA-OD2 3.26Å; M1043-D1046 WeakPolarHBondContact CA-OD2 3.39Å; M1043-D1046 VanDerWaalsContact O-OD1 3.08Å; D1046-R1048 PolarHBondContact O-N 2.76Å; D1046-R1048 PolarHBondContact OD1-N 2.56Å; D1046-R1048 IonicContact OD2-NE 3.03Å; D1046-E1057 PolarHBondContact N-OE1 3.06Å; D1046-E1057 VanDerWaalsContact N-OE1 3.15Å; D1046-E1057 VanDerWaalsContact OD1-OE1 3.09Å | |
| 1047 | G | 65.1 | Low | 69.9 | Low | 71 Ų | 71 | 73.7 Ų | 73.7 | 73% | 0.732 | 36% | 0.361 | S | S | * | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1057 | G1047-E1057 PolarHBondContact N-OE1 3.48Š| |
| 1048 | R | 65.7 | Low | 69.7 | Low | 165 Ų | 165 | 73.1 Ų | 73.1 | 62% | 0.623 | 36% | 0.364 | S | S | * | . | S | Bend | 0 | 120.9 | 0 | -45.7 | -168.3 | -84.6 | -147.1 | 0.9 | 109.2 | D1046 D1050 E1057 | D1046-R1048 PolarHBondContact O-N 2.76Å; D1046-R1048 PolarHBondContact OD1-N 2.56Å; D1046-R1048 IonicContact OD2-NE 3.03Å; R1048-D1050 PolarHBondContact O-N 2.86Å; R1048-E1057 PolarHBondContact N-OE1 2.77Å; R1048-E1057 VanDerWaalsContact O-OE1 3.04Å | |
| 1049 | Q | 66.9 | Low | 68.8 | Low | 132 Ų | 132 | 74.5 Ų | 74.5 | 62% | 0.617 | 39% | 0.385 | S | S | * | . | trans | -60.6 | 79 | 175.4 | -152 | -178.7 | 10.7 | 0 | 0 | 111.3 | C1051 A1054 | Q1049-C1051 VanDerWaalsContact CG-O 3.24Å; Q1049-C1051 WeakPolarHBondContact CG-O 3.1Å; Q1049-A1054 HydrophobicContact CG-CB 3.28Å | ||
| 1050 | D | 68.2 | Low | 68.2 | Low | 55 Ų | 55 | 74.9 Ų | 74.9 | 29% | 0.294 | 39% | 0.389 | S | S | . | . | trans | -79.6 | 0 | -179.7 | -63.5 | -48.6 | 0 | 0 | 0 | 110.4 | I1039 R1048 D1056 | I1039-D1050 HydrophobicContact CD1-CB 3.9Å; I1039-D1050 HydrophobicContact CG2-CB 3.87Å; R1048-D1050 PolarHBondContact O-N 2.86Å; D1050-D1056 WeakPolarHBondContact CB-OD2 3.48Å; D1050-D1056 PolarHBondContact N-OD1 3.21Å; D1050-D1056 PolarHBondContact N-OD2 3.06Å | ||
| 1051 | C | 74.6 | Confident | 67 | Low | 2 Ų | 2 | 75 Ų | 75 | 1% | 0.014 | 40% | 0.398 | C | S | . | . | S | Bend | 0 | 0 | 0 | -92.8 | 0 | 0 | 0 | 0 | 109.8 | C1033 Q1049 D1053 A1054 D1056 | C1033-C1051 WeakPolarHBondContact CA-SG 3.08Å; C1033-C1051 HydrophobicContact CB-CB 2.98Å; C1033-C1051 CovalentContact CB-SG 1.82Å; C1033-C1051 WeakPolarHBondContact CB-SG 2.58Å; C1033-C1051 WeakPolarHBondContact SG-CA 3.22Å; C1033-C1051 WeakPolarHBondContact SG-CB 3.49Å; C1033-C1051 CovalentContact SG-SG 0.45Å; C1033-C1051 PolarHBondContact SG-SG 3.38Å; Q1049-C1051 VanDerWaalsContact CG-O 3.24Å; Q1049-C1051 WeakPolarHBondContact CG-O 3.1Å; C1051-D1053 PolarHBondContact O-N 3.44Å; C1051-D1053 VanDerWaalsContact O-N 3.16Å; C1051-A1054 VanDerWaalsContact C-N 3.33Å; C1051-A1054 VanDerWaalsContact O-CA 3.3Å; C1051-A1054 WeakPolarHBondContact O-CA 3.26Å; C1051-A1054 PolarHBondContact O-N 1.81Å; C1051-D1056 HydrophobicContact CB-CB 3.95Å; C1051-D1056 WeakPolarHBondContact CB-OD1 2.91Å; C1051-D1056 PolarHBondContact N-OD1 3.1Å; C1051-D1056 VanDerWaalsContact N-OD1 3.14Å | |
| 1052 | R | 73.2 | Confident | 66.1 | Low | 217 Ų | 217 | 72.8 Ų | 72.8 | 82% | 0.819 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -108.9 | -178.9 | 173.2 | 166.7 | -0.4 | 111.2 | S1035 | S1035-R1052 PolarHBondContact OG-N 2.74Š| |
| 1053 | D | 65.8 | Low | 65.2 | Low | 100 Ų | 100 | 74.5 Ų | 74.5 | 54% | 0.535 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 14.9 | 0 | -162.2 | 6 | 0 | 0 | 0 | 109.7 | S1035 C1051 S1055 | S1035-D1053 PolarHBondContact OG-N 3.36Å; C1051-D1053 PolarHBondContact O-N 3.44Å; C1051-D1053 VanDerWaalsContact O-N 3.16Å; D1053-S1055 PolarHBondContact O-N 3.42Å | |
| 1054 | A | 65.8 | Low | 64.2 | Low | 23 Ų | 23 | 73.2 Ų | 73.2 | 19% | 0.19 | 39% | 0.391 | C | S | . | . | S | Bend | trans | 58.2 | 24.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q1049 C1051 D1056 E1057 T1058 | Q1049-A1054 HydrophobicContact CG-CB 3.28Å; C1051-A1054 VanDerWaalsContact C-N 3.33Å; C1051-A1054 VanDerWaalsContact O-CA 3.3Å; C1051-A1054 WeakPolarHBondContact O-CA 3.26Å; C1051-A1054 PolarHBondContact O-N 1.81Å; A1054-D1056 PolarHBondContact O-N 3.3Å; A1054-E1057 PolarHBondContact O-N 3.28Å; A1054-T1058 WeakPolarHBondContact O-CG2 3.03Å |
| 1055 | S | 71.6 | Confident | 63.9 | Low | 1 Ų | 1 | 78 Ų | 78 | 1% | 0.007 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -72.3 | 0 | -178.3 | -45 | 0 | 0 | 0 | 0 | 110.9 | Y1031 S1034 D1053 E1057 T1058 | Y1031-S1055 PolarHBondContact OH-O 2.85Å; S1034-S1055 WeakPolarHBondContact CA-OG 2.98Å; S1034-S1055 WeakPolarHBondContact CB-OG 3.46Å; S1034-S1055 PolarHBondContact N-OG 2.86Å; S1034-S1055 WeakPolarHBondContact OG-CA 2.77Å; S1034-S1055 WeakPolarHBondContact OG-CB 3.34Å; S1034-S1055 CovalentContact OG-OG 1.23Å; S1034-S1055 PolarHBondContact OG-OG 2.98Å; D1053-S1055 PolarHBondContact O-N 3.42Å; S1055-E1057 PolarHBondContact O-N 2.65Å; S1055-T1058 WeakPolarHBondContact CA-OG1 3.26Å; S1055-T1058 PolarHBondContact O-N 2.92Å; S1055-T1058 PolarHBondContact O-OG1 2.96Å |
| 1056 | D | 74.7 | Confident | 62.9 | Low | 0 Ų | 0 | 84 Ų | 84 | 0% | 0 | 45% | 0.448 | C | S | . | . | G | 310 helix | 0 | 2.7 | 0 | 69.8 | -42 | 0 | 0 | 0 | 111.7 | Y1031 I1039 C1045 D1050 C1051 A1054 | Y1031-D1056 HydrophobicContact CD1-CB 3.92Å; Y1031-D1056 HydrophobicContact CE1-CB 3.79Å; I1039-D1056 HydrophobicContact CD1-CB 2.94Å; I1039-D1056 WeakPolarHBondContact CD1-OD2 3.25Å; I1039-D1056 HydrophobicContact CG1-CB 4.22Å; C1045-D1056 PolarHBondContact N-O 2.62Å; C1045-D1056 VanDerWaalsContact N-O 3.17Å; D1050-D1056 WeakPolarHBondContact CB-OD2 3.48Å; D1050-D1056 PolarHBondContact N-OD1 3.21Å; D1050-D1056 PolarHBondContact N-OD2 3.06Å; C1051-D1056 HydrophobicContact CB-CB 3.95Å; C1051-D1056 WeakPolarHBondContact CB-OD1 2.91Å; C1051-D1056 PolarHBondContact N-OD1 3.1Å; C1051-D1056 VanDerWaalsContact N-OD1 3.14Å; A1054-D1056 PolarHBondContact O-N 3.3Å | |
| 1057 | E | 74.6 | Confident | 62.2 | Low | 61 Ų | 61 | 83.7 Ų | 83.7 | 29% | 0.285 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -130.4 | 0 | 178.8 | -61.6 | -71.6 | 161.6 | 0 | 0 | 109.7 | C1045 D1046 G1047 R1048 A1054 S1055 | C1045-E1057 VanDerWaalsContact CA-OE2 3.29Å; C1045-E1057 WeakPolarHBondContact CA-OE2 3.48Å; D1046-E1057 PolarHBondContact N-OE1 3.06Å; D1046-E1057 VanDerWaalsContact N-OE1 3.15Å; D1046-E1057 VanDerWaalsContact OD1-OE1 3.09Å; G1047-E1057 PolarHBondContact N-OE1 3.48Å; R1048-E1057 PolarHBondContact N-OE1 2.77Å; R1048-E1057 VanDerWaalsContact O-OE1 3.04Å; A1054-E1057 PolarHBondContact O-N 3.28Å; S1055-E1057 PolarHBondContact O-N 2.65Å |
| 1058 | T | 63 | Low | 62.4 | Low | 83 Ų | 83 | 83.4 Ų | 83.4 | 51% | 0.509 | 43% | 0.434 | S | S | . | . | S | Bend | 0 | 0 | 0 | 55.5 | 0 | 0 | 0 | 0 | 108.9 | A1054 S1055 | A1054-T1058 WeakPolarHBondContact O-CG2 3.03Å; S1055-T1058 WeakPolarHBondContact CA-OG1 3.26Å; S1055-T1058 PolarHBondContact O-N 2.92Å; S1055-T1058 PolarHBondContact O-OG1 2.96Å | |
| 1059 | G | 55.4 | Low | 62.5 | Low | 74 Ų | 74 | 78 Ų | 78 | 76% | 0.763 | 41% | 0.414 | S | S | * | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||
| 1060 | C | 58.8 | Low | 62.6 | Low | 21 Ų | 21 | 74.7 Ų | 74.7 | 14% | 0.142 | 40% | 0.399 | C | S | . | . | 0 | 0 | 0 | -63.6 | 0 | 0 | 0 | 0 | 110.5 | C1045 P1062 | C1045-C1060 WeakPolarHBondContact CA-SG 2.89Å; C1045-C1060 HydrophobicContact CB-CB 3.48Å; C1045-C1060 VanDerWaalsContact CB-CB 3.48Å; C1045-C1060 WeakPolarHBondContact CB-SG 2.6Å; C1045-C1060 WeakPolarHBondContact SG-CA 2.76Å; C1045-C1060 CovalentContact SG-CB 2.22Å; C1045-C1060 WeakPolarHBondContact SG-CB 2.9Å; C1045-C1060 CovalentContact SG-SG 1.67Å; C1045-C1060 PolarHBondContact SG-SG 3.43Å; C1060-P1062 VanDerWaalsContact O-N 3.1Å | |||
| 1061 | P | 48.7 | Very low | 62.6 | Low | 97 Ų | 97 | 72.3 Ų | 72.3 | 63% | 0.63 | 39% | 0.386 | S | S | * | . | 0 | 120.6 | 0 | -0 | 3.6 | 0 | 0 | 0 | 111.8 | R1063 | P1061-R1063 PolarHBondContact O-N 3.48Š| |||
| 1062 | P | 49.5 | Very low | 62.1 | Low | 82 Ų | 82 | 75.7 Ų | 75.7 | 53% | 0.532 | 41% | 0.41 | S | S | . | . | trans | -41.8 | 98.1 | -172.3 | 4 | 6.2 | 0 | 0 | 0 | 112.2 | C1060 C1064 Q1070 | C1060-P1062 VanDerWaalsContact O-N 3.1Å; P1062-C1064 PolarHBondContact O-N 2.45Å; P1062-Q1070 HydrophobicContact CB-CB 3.82Å; P1062-Q1070 HydrophobicContact CB-CG 4.11Å; P1062-Q1070 VanDerWaalsContact N-OE1 3.17Å | ||
| 1063 | R | 51.7 | Low | 61.6 | Low | 172 Ų | 172 | 67.5 Ų | 67.5 | 65% | 0.649 | 39% | 0.385 | S | S | * | . | trans | -62 | 59.6 | 171.7 | -81.3 | -169.2 | 171.5 | 162.4 | -0.2 | 110.7 | C1045 P1061 C1076 | C1045-R1063 VanDerWaalsContact O-CZ 3.31Å; C1045-R1063 PolarHBondContact O-NH1 3.05Å; P1061-R1063 PolarHBondContact O-N 3.48Å; R1063-C1076 VanDerWaalsContact C-SG 3.58Å; R1063-C1076 PolarHBondContact O-SG 2.6Å | ||
| 1064 | C | 52.4 | Low | 61.5 | Low | 23 Ų | 23 | 65 Ų | 65 | 16% | 0.155 | 38% | 0.384 | C | S | . | . | trans | -125.4 | 116.4 | 168.3 | -65.6 | 0 | 0 | 0 | 0 | 109 | P1062 Q1068 C1076 | P1062-C1064 PolarHBondContact O-N 2.45Å; C1064-Q1068 HydrophobicContact CB-CB 3.37Å; C1064-Q1068 VanDerWaalsContact CB-O 3.24Å; C1064-Q1068 WeakPolarHBondContact CB-O 3.38Å; C1064-C1076 HydrophobicContact CB-CB 3.94Å; C1064-C1076 WeakPolarHBondContact SG-CA 3.46Å; C1064-C1076 WeakPolarHBondContact SG-CB 1.7Å; C1064-C1076 CovalentContact SG-SG 2.29Å; C1064-C1076 PolarHBondContact SG-SG 3.15Å | ||
| 1065 | R | 55.3 | Low | 61.5 | Low | 199 Ų | 199 | 69 Ų | 69 | 75% | 0.751 | 40% | 0.398 | S | S | * | . | trans | -45.3 | 138.6 | 177 | -67.2 | -172 | 167.8 | 99.7 | -2.1 | 111.3 | G1067 Q1068 | R1065-G1067 VanDerWaalsContact C-N 3.34Å; R1065-G1067 PolarHBondContact O-N 3.16Å; R1065-Q1068 PolarHBondContact O-N 3.22Å | ||
| 1066 | P | 50.8 | Low | 61.4 | Low | 145 Ų | 145 | 71.5 Ų | 71.5 | 94% | 0.942 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.6 | 95.1 | -176 | -4 | 12.7 | 0 | 0 | 0 | 111.6 | ||
| 1067 | G | 54.6 | Low | 61.2 | Low | 34 Ų | 34 | 72 Ų | 72 | 35% | 0.351 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 136 | 0 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | R1065 Q1079 | R1065-G1067 VanDerWaalsContact C-N 3.34Å; R1065-G1067 PolarHBondContact O-N 3.16Å; G1067-Q1079 WeakPolarHBondContact O-CB 3.21Å; G1067-Q1079 PolarHBondContact O-N 3.43Å |
| 1068 | Q | 70.1 | Confident | 60.9 | Low | 66 Ų | 66 | 73.7 Ų | 73.7 | 31% | 0.308 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -68.1 | -175.8 | -11.9 | 0 | 0 | 109.5 | C1064 R1065 I1077 E1078 | C1064-Q1068 HydrophobicContact CB-CB 3.37Å; C1064-Q1068 VanDerWaalsContact CB-O 3.24Å; C1064-Q1068 WeakPolarHBondContact CB-O 3.38Å; R1065-Q1068 PolarHBondContact O-N 3.22Å; Q1068-I1077 CarbonylContact C-O 3.46Å; Q1068-I1077 WeakPolarHBondContact CA-O 2.83Å; Q1068-E1078 HydrophobicContact CG-CG 4.16Å | |
| 1069 | Y | 66.1 | Low | 61 | Low | 52 Ų | 52 | 76 Ų | 76 | 20% | 0.204 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 132.5 | 0 | 173.5 | -101.4 | 0 | 0 | 0 | 110.8 | I1077 R1082 D1094 | Y1069-I1077 CarbonylContact C-O 3.41Å; Y1069-I1077 WeakPolarHBondContact CA-O 3.45Å; Y1069-I1077 HydrophobicContact CD1-CD1 4.04Å; Y1069-I1077 HydrophobicContact CD1-CG1 4.02Å; Y1069-I1077 PolarHBondContact N-O 3.26Å; Y1069-I1077 WeakPolarHBondContact O-CG1 3.43Å; Y1069-I1077 PolarHBondContact O-N 3.2Å; Y1069-R1082 HydrophobicContact CD1-CB 3.59Å; Y1069-R1082 HydrophobicContact CD1-CG 3.66Å; Y1069-R1082 HydrophobicContact CD2-CB 4.09Å; Y1069-R1082 HydrophobicContact CD2-CG 3.81Å; Y1069-R1082 HydrophobicContact CE1-CB 4.03Å; Y1069-R1082 HydrophobicContact CE1-CG 3.56Å; Y1069-R1082 HydrophobicContact CE2-CB 4.48Å; Y1069-R1082 HydrophobicContact CE2-CG 3.72Å; Y1069-R1082 HydrophobicContact CG-CB 3.62Å; Y1069-R1082 VanDerWaalsContact CG-CD 3.42Å; Y1069-R1082 HydrophobicContact CG-CG 3.78Å; Y1069-R1082 PolarHBondContact OH-NE 3.38Å; Y1069-D1094 HydrophobicContact CE1-CB 4.11Å | |
| 1070 | Q | 70.9 | Confident | 61.7 | Low | 62 Ų | 62 | 79 Ų | 79 | 29% | 0.29 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 119.7 | -177.9 | -168.9 | 172.2 | 0.3 | 0 | 0 | 109.9 | P1062 | P1062-Q1070 HydrophobicContact CB-CB 3.82Å; P1062-Q1070 HydrophobicContact CB-CG 4.11Å; P1062-Q1070 VanDerWaalsContact N-OE1 3.17Å |
| 1071 | C | 67.6 | Low | 62.2 | Low | 4 Ų | 4 | 80.9 Ų | 80.9 | 3% | 0.027 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 0 | 177.5 | -76.8 | 0 | 0 | 0 | 0 | 110.3 | S1073 G1074 E1075 C1089 | C1071-S1073 PolarHBondContact O-N 3.1Å; C1071-G1074 VanDerWaalsContact C-N 3.27Å; C1071-G1074 WeakPolarHBondContact O-CA 3.45Å; C1071-G1074 PolarHBondContact O-N 2.95Å; C1071-E1075 HydrophobicContact CB-CB 4.3Å; C1071-E1075 WeakPolarHBondContact CB-O 3.01Å; C1071-E1075 PolarHBondContact N-O 3.12Å; C1071-C1089 WeakPolarHBondContact CA-SG 3.23Å; C1071-C1089 HydrophobicContact CB-CB 3.25Å; C1071-C1089 CovalentContact CB-SG 1.62Å; C1071-C1089 WeakPolarHBondContact CB-SG 3.49Å; C1071-C1089 VanDerWaalsContact SG-CA 3.55Å; C1071-C1089 WeakPolarHBondContact SG-CB 3.39Å; C1071-C1089 CovalentContact SG-SG 1.17Å; C1071-C1089 PolarHBondContact SG-SG 2.59Å |
| 1072 | S | 64.8 | Low | 62.7 | Low | 74 Ų | 74 | 81.2 Ų | 81.2 | 52% | 0.517 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | -22.6 | 0 | 40.8 | 0 | 0 | 0 | 0 | 111.7 | S1093 | S1072-S1093 WeakPolarHBondContact CA-OG 2.97Å; S1072-S1093 WeakPolarHBondContact CB-OG 3.25Å; S1072-S1093 PolarHBondContact N-OG 2.75Å; S1072-S1093 VanDerWaalsContact N-OG 3.17Å; S1072-S1093 WeakPolarHBondContact OG-CA 3.47Å; S1072-S1093 WeakPolarHBondContact OG-CB 3Å; S1072-S1093 CovalentContact OG-OG 0.91Å; S1072-S1093 PolarHBondContact OG-OG 2.88Å | |
| 1073 | S | 62.3 | Low | 63.7 | Low | 44 Ų | 44 | 77.8 Ų | 77.8 | 31% | 0.308 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 0 | 175.2 | 61.4 | 0 | 0 | 0 | 0 | 111 | C1071 R1090 D1091 S1093 | C1071-S1073 PolarHBondContact O-N 3.1Å; S1073-R1090 PolarHBondContact OG-N 2.28Å; S1073-D1091 PolarHBondContact OG-N 3.37Å; S1073-S1093 PolarHBondContact N-OG 3.43Å |
| 1074 | G | 62 | Low | 64.3 | Low | 48 Ų | 48 | 71.8 Ų | 71.8 | 50% | 0.495 | 38% | 0.38 | S | S | . | . | S | Bend | 0 | 3.2 | 0 | 0 | 0 | 0 | 0 | 0 | 111.5 | C1071 | C1071-G1074 VanDerWaalsContact C-N 3.27Å; C1071-G1074 WeakPolarHBondContact O-CA 3.45Å; C1071-G1074 PolarHBondContact O-N 2.95Å | |
| 1075 | E | 66 | Low | 65 | Low | 106 Ų | 106 | 73.6 Ų | 73.6 | 50% | 0.495 | 40% | 0.402 | S | S | . | . | trans | -89 | 141.7 | 171.7 | -50.6 | -120.5 | 170.4 | 0 | 0 | 110.3 | C1071 | C1071-E1075 HydrophobicContact CB-CB 4.3Å; C1071-E1075 WeakPolarHBondContact CB-O 3.01Å; C1071-E1075 PolarHBondContact N-O 3.12Å | ||
| 1076 | C | 70.3 | Confident | 65.3 | Low | 54 Ų | 54 | 72.3 Ų | 72.3 | 37% | 0.365 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 107.7 | -178.2 | -66.5 | 0 | 0 | 0 | 0 | 110.3 | R1063 C1064 | R1063-C1076 VanDerWaalsContact C-SG 3.58Å; R1063-C1076 PolarHBondContact O-SG 2.6Å; C1064-C1076 HydrophobicContact CB-CB 3.94Å; C1064-C1076 WeakPolarHBondContact SG-CA 3.46Å; C1064-C1076 WeakPolarHBondContact SG-CB 1.7Å; C1064-C1076 CovalentContact SG-SG 2.29Å; C1064-C1076 PolarHBondContact SG-SG 3.15Å |
| 1077 | I | 69.6 | Low | 66 | Low | 12 Ų | 12 | 71.8 Ų | 71.8 | 6% | 0.062 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 145.3 | -179.1 | 54.8 | 169.7 | 0 | 0 | 0 | 108.2 | Q1068 Y1069 Q1079 M1081 D1088 D1094 | Q1068-I1077 CarbonylContact C-O 3.46Å; Q1068-I1077 WeakPolarHBondContact CA-O 2.83Å; Y1069-I1077 CarbonylContact C-O 3.41Å; Y1069-I1077 WeakPolarHBondContact CA-O 3.45Å; Y1069-I1077 HydrophobicContact CD1-CD1 4.04Å; Y1069-I1077 HydrophobicContact CD1-CG1 4.02Å; Y1069-I1077 PolarHBondContact N-O 3.26Å; Y1069-I1077 WeakPolarHBondContact O-CG1 3.43Å; Y1069-I1077 PolarHBondContact O-N 3.2Å; I1077-Q1079 PolarHBondContact O-N 3.16Å; I1077-M1081 HydrophobicContact CB-CB 3.66Å; I1077-M1081 HydrophobicContact CB-CE 3.47Å; I1077-M1081 VanDerWaalsContact CB-CE 3.47Å; I1077-M1081 HydrophobicContact CB-CG 4.34Å; I1077-M1081 HydrophobicContact CD1-CB 3.36Å; I1077-M1081 WeakPolarHBondContact CD1-O 3.23Å; I1077-M1081 HydrophobicContact CG1-CB 3.85Å; I1077-M1081 HydrophobicContact CG2-CE 3.56Å; I1077-D1088 HydrophobicContact CD1-CB 4.26Å; I1077-D1088 HydrophobicContact CG2-CB 4.3Å; I1077-D1094 HydrophobicContact CD1-CB 3.63Å |
| 1078 | E | 68.6 | Low | 66.6 | Low | 95 Ų | 95 | 72.5 Ų | 72.5 | 44% | 0.444 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 124.2 | 178.9 | -81.4 | -158.2 | -172.2 | 0 | 0 | 111.2 | Q1068 Q1080 M1081 | Q1068-E1078 HydrophobicContact CG-CG 4.16Å; E1078-Q1080 HydrophobicContact CB-CG 3.79Å; E1078-Q1080 CarbonylContact O-C 3.48Å; E1078-Q1080 PolarHBondContact O-N 3.49Å; E1078-Q1080 PolarHBondContact OE2-NE2 3.17Å; E1078-M1081 HydrophobicContact CB-CG 4.49Å; E1078-M1081 WeakPolarHBondContact O-CA 3.1Å; E1078-M1081 VanDerWaalsContact O-CB 3.23Å; E1078-M1081 WeakPolarHBondContact O-CB 3.32Å; E1078-M1081 PolarHBondContact O-N 3.49Å |
| 1079 | Q | 65.5 | Low | 66.7 | Low | 133 Ų | 133 | 69.4 Ų | 69.4 | 62% | 0.621 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -34.5 | -19.8 | -172.3 | -113.2 | 167.8 | 39.6 | 0 | 0 | 111.3 | G1067 I1077 M1081 R1082 | G1067-Q1079 WeakPolarHBondContact O-CB 3.21Å; G1067-Q1079 PolarHBondContact O-N 3.43Å; I1077-Q1079 PolarHBondContact O-N 3.16Å; Q1079-M1081 PolarHBondContact O-N 3.47Å; Q1079-M1081 VanDerWaalsContact O-N 3.08Å; Q1079-R1082 PolarHBondContact O-N 3.21Å |
| 1080 | Q | 69.3 | Low | 67 | Low | 137 Ų | 137 | 77.7 Ų | 77.7 | 64% | 0.64 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -79.7 | -4.9 | -179.2 | 48.7 | -176.8 | -18.4 | 0 | 0 | 111.5 | E1078 | E1078-Q1080 HydrophobicContact CB-CG 3.79Å; E1078-Q1080 CarbonylContact O-C 3.48Å; E1078-Q1080 PolarHBondContact O-N 3.49Å; E1078-Q1080 PolarHBondContact OE2-NE2 3.17Å |
| 1081 | M | 69.4 | Low | 66.7 | Low | 60 Ų | 60 | 79.6 Ų | 79.6 | 30% | 0.296 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -108.8 | 0 | -171.5 | -67.2 | -136.9 | -81.9 | 0 | 0 | 109.3 | I1077 E1078 Q1079 D1084 | I1077-M1081 HydrophobicContact CB-CB 3.66Å; I1077-M1081 HydrophobicContact CB-CE 3.47Å; I1077-M1081 VanDerWaalsContact CB-CE 3.47Å; I1077-M1081 HydrophobicContact CB-CG 4.34Å; I1077-M1081 HydrophobicContact CD1-CB 3.36Å; I1077-M1081 WeakPolarHBondContact CD1-O 3.23Å; I1077-M1081 HydrophobicContact CG1-CB 3.85Å; I1077-M1081 HydrophobicContact CG2-CE 3.56Å; E1078-M1081 HydrophobicContact CB-CG 4.49Å; E1078-M1081 WeakPolarHBondContact O-CA 3.1Å; E1078-M1081 VanDerWaalsContact O-CB 3.23Å; E1078-M1081 WeakPolarHBondContact O-CB 3.32Å; E1078-M1081 PolarHBondContact O-N 3.49Å; Q1079-M1081 PolarHBondContact O-N 3.47Å; Q1079-M1081 VanDerWaalsContact O-N 3.08Å; M1081-D1084 WeakPolarHBondContact CA-OD2 3.28Å |
| 1082 | R | 59.9 | Low | 66.6 | Low | 104 Ų | 104 | 80.2 Ų | 80.2 | 39% | 0.392 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 111 | 0 | -172.3 | -179.6 | -177 | -124.4 | 1.3 | 110 | Y1069 Q1079 R1101 | Y1069-R1082 HydrophobicContact CD1-CB 3.59Å; Y1069-R1082 HydrophobicContact CD1-CG 3.66Å; Y1069-R1082 HydrophobicContact CD2-CB 4.09Å; Y1069-R1082 HydrophobicContact CD2-CG 3.81Å; Y1069-R1082 HydrophobicContact CE1-CB 4.03Å; Y1069-R1082 HydrophobicContact CE1-CG 3.56Å; Y1069-R1082 HydrophobicContact CE2-CB 4.48Å; Y1069-R1082 HydrophobicContact CE2-CG 3.72Å; Y1069-R1082 HydrophobicContact CG-CB 3.62Å; Y1069-R1082 VanDerWaalsContact CG-CD 3.42Å; Y1069-R1082 HydrophobicContact CG-CG 3.78Å; Y1069-R1082 PolarHBondContact OH-NE 3.38Å; Q1079-R1082 PolarHBondContact O-N 3.21Å; R1082-R1101 PolarHBondContact O-NH1 3.02Å; R1082-R1101 PolarHBondContact O-NH2 3.21Å | |
| 1083 | C | 70.6 | Confident | 66.9 | Low | 10 Ų | 10 | 76.8 Ų | 76.8 | 7% | 0.068 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 0 | 177.5 | -66 | 0 | 0 | 0 | 0 | 110.5 | D1094 C1098 R1101 | C1083-D1094 PolarHBondContact N-O 2.77Å; C1083-C1098 HydrophobicContact CB-CB 4.22Å; C1083-C1098 WeakPolarHBondContact SG-CB 3.44Å; C1083-C1098 CovalentContact SG-SG 2.54Å; C1083-C1098 PolarHBondContact SG-SG 2.67Å; C1083-R1101 CovalentContact C-NH1 0.86Å; C1083-R1101 CovalentContact CA-NH1 1.39Å; C1083-R1101 VanDerWaalsContact CA-NH2 3.3Å; C1083-R1101 HydrophobicContact CB-CG 3.57Å; C1083-R1101 CovalentContact CB-CZ 1.89Å; C1083-R1101 WeakPolarHBondContact O-CD 3.11Å; C1083-R1101 WeakPolarHBondContact O-CG 3.13Å; C1083-R1101 CovalentContact O-NE 1.75Å; C1083-R1101 PolarHBondContact O-NE 2.7Å; C1083-R1101 PolarHBondContact O-NH1 2.51Å; C1083-R1101 PolarHBondContact O-NH2 2.97Å |
| 1084 | D | 64.7 | Low | 67.3 | Low | 46 Ų | 46 | 74.7 Ų | 74.7 | 25% | 0.246 | 37% | 0.374 | C | S | . | . | S | Bend | 0 | 0 | 0 | 62.8 | -12.1 | 0 | 0 | 0 | 109.6 | M1081 R1086 D1088 E1095 | M1081-D1084 WeakPolarHBondContact CA-OD2 3.28Å; D1084-R1086 PolarHBondContact O-N 3.03Å; D1084-R1086 PolarHBondContact OD1-N 2.79Å; D1084-D1088 VanDerWaalsContact CG-OD2 3.31Å; D1084-E1095 PolarHBondContact N-OE1 2.58Å; D1084-E1095 VanDerWaalsContact N-OE1 3.16Å | |
| 1085 | G | 65.8 | Low | 67.9 | Low | 61 Ų | 61 | 75.1 Ų | 75.1 | 63% | 0.629 | 36% | 0.363 | S | S | * | . | S | Bend | 0 | 5.5 | 0 | 0 | 0 | 0 | 0 | 0 | 112 | E1095 | G1085-E1095 PolarHBondContact N-OE1 3.3Š| |
| 1086 | R | 61.9 | Low | 67.7 | Low | 171 Ų | 171 | 74 Ų | 74 | 65% | 0.645 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -126.1 | 120.5 | 173.7 | -57.2 | -169.5 | -92.5 | -163.1 | 0.1 | 109.3 | D1084 D1088 | D1084-R1086 PolarHBondContact O-N 3.03Å; D1084-R1086 PolarHBondContact OD1-N 2.79Å; R1086-D1088 PolarHBondContact O-N 2.98Å |
| 1087 | Q | 66.3 | Low | 67 | Low | 135 Ų | 135 | 75.3 Ų | 75.3 | 63% | 0.631 | 39% | 0.386 | S | S | * | . | trans | -58.5 | 75.2 | 174 | -139.5 | -177.8 | 13.4 | 0 | 0 | 111.4 | C1089 A1092 | Q1087-C1089 VanDerWaalsContact CG-O 3.23Å; Q1087-C1089 WeakPolarHBondContact CG-O 3.29Å; Q1087-A1092 HydrophobicContact CG-CB 3.22Å | ||
| 1088 | D | 66.1 | Low | 66.4 | Low | 49 Ų | 49 | 75.6 Ų | 75.6 | 26% | 0.262 | 39% | 0.389 | S | S | . | . | trans | -77.6 | 0 | -179.5 | -63.6 | -48.2 | 0 | 0 | 0 | 110.2 | I1077 D1084 R1086 D1094 | I1077-D1088 HydrophobicContact CD1-CB 4.26Å; I1077-D1088 HydrophobicContact CG2-CB 4.3Å; D1084-D1088 VanDerWaalsContact CG-OD2 3.31Å; R1086-D1088 PolarHBondContact O-N 2.98Å; D1088-D1094 VanDerWaalsContact CB-OD2 3.31Å; D1088-D1094 WeakPolarHBondContact CB-OD2 3.44Å; D1088-D1094 PolarHBondContact N-OD2 2.81Å | ||
| 1089 | C | 73 | Confident | 65.4 | Low | 1 Ų | 1 | 75.7 Ų | 75.7 | 1% | 0.007 | 40% | 0.398 | C | S | . | . | S | Bend | 0 | 127.3 | 0 | -100.1 | 0 | 0 | 0 | 0 | 109.6 | C1071 Q1087 D1091 A1092 D1094 | C1071-C1089 WeakPolarHBondContact CA-SG 3.23Å; C1071-C1089 HydrophobicContact CB-CB 3.25Å; C1071-C1089 CovalentContact CB-SG 1.62Å; C1071-C1089 WeakPolarHBondContact CB-SG 3.49Å; C1071-C1089 VanDerWaalsContact SG-CA 3.55Å; C1071-C1089 WeakPolarHBondContact SG-CB 3.39Å; C1071-C1089 CovalentContact SG-SG 1.17Å; C1071-C1089 PolarHBondContact SG-SG 2.59Å; Q1087-C1089 VanDerWaalsContact CG-O 3.23Å; Q1087-C1089 WeakPolarHBondContact CG-O 3.29Å; C1089-D1091 PolarHBondContact O-N 2.54Å; C1089-D1091 VanDerWaalsContact O-N 3.08Å; C1089-A1092 VanDerWaalsContact C-N 3.28Å; C1089-A1092 VanDerWaalsContact O-CA 3.27Å; C1089-A1092 WeakPolarHBondContact O-CA 3.05Å; C1089-A1092 PolarHBondContact O-N 3.31Å; C1089-D1094 HydrophobicContact CB-CB 3.78Å; C1089-D1094 VanDerWaalsContact CB-OD1 3.29Å; C1089-D1094 WeakPolarHBondContact CB-OD1 3.21Å; C1089-D1094 PolarHBondContact N-OD1 2.98Å; C1089-D1094 VanDerWaalsContact N-OD1 3.14Å | |
| 1090 | R | 72.4 | Confident | 64.4 | Low | 226 Ų | 226 | 72.9 Ų | 72.9 | 85% | 0.853 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 0 | -176.1 | -134.3 | 177.7 | 173.6 | 161 | 0.5 | 111.2 | S1073 A1092 | S1073-R1090 PolarHBondContact OG-N 2.28Å; R1090-A1092 VanDerWaalsContact C-N 3.26Å |
| 1091 | D | 64.1 | Low | 63.3 | Low | 101 Ų | 101 | 71.2 Ų | 71.2 | 54% | 0.54 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 15.3 | 0 | -160.8 | 1.8 | 0 | 0 | 0 | 109.8 | S1073 C1089 S1093 | S1073-D1091 PolarHBondContact OG-N 3.37Å; C1089-D1091 PolarHBondContact O-N 2.54Å; C1089-D1091 VanDerWaalsContact O-N 3.08Å; D1091-S1093 WeakPolarHBondContact CB-OG 3.46Å; D1091-S1093 PolarHBondContact O-N 3.01Å | |
| 1092 | A | 64.9 | Low | 62.2 | Low | 18 Ų | 18 | 68.9 Ų | 68.9 | 15% | 0.149 | 37% | 0.368 | C | S | . | . | S | Bend | trans | 54 | 20.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q1087 C1089 R1090 D1094 E1095 T1096 | Q1087-A1092 HydrophobicContact CG-CB 3.22Å; C1089-A1092 VanDerWaalsContact C-N 3.28Å; C1089-A1092 VanDerWaalsContact O-CA 3.27Å; C1089-A1092 WeakPolarHBondContact O-CA 3.05Å; C1089-A1092 PolarHBondContact O-N 3.31Å; R1090-A1092 VanDerWaalsContact C-N 3.26Å; A1092-D1094 PolarHBondContact O-N 3.5Å; A1092-E1095 CarbonylContact O-C 3.54Å; A1092-E1095 WeakPolarHBondContact O-CA 2.62Å; A1092-E1095 WeakPolarHBondContact O-CB 3.49Å; A1092-E1095 PolarHBondContact O-N 2.17Å; A1092-T1096 VanDerWaalsContact O-CG2 3.31Å; A1092-T1096 WeakPolarHBondContact O-CG2 3.04Å; A1092-T1096 PolarHBondContact O-N 3.34Å |
| 1093 | S | 71.1 | Confident | 61.7 | Low | 2 Ų | 2 | 71.8 Ų | 71.8 | 1% | 0.014 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -67.3 | 0 | -179.5 | -50.8 | 0 | 0 | 0 | 0 | 111 | S1072 S1073 D1091 E1095 T1096 | S1072-S1093 WeakPolarHBondContact CA-OG 2.97Å; S1072-S1093 WeakPolarHBondContact CB-OG 3.25Å; S1072-S1093 PolarHBondContact N-OG 2.75Å; S1072-S1093 VanDerWaalsContact N-OG 3.17Å; S1072-S1093 WeakPolarHBondContact OG-CA 3.47Å; S1072-S1093 WeakPolarHBondContact OG-CB 3Å; S1072-S1093 CovalentContact OG-OG 0.91Å; S1072-S1093 PolarHBondContact OG-OG 2.88Å; S1073-S1093 PolarHBondContact N-OG 3.43Å; D1091-S1093 WeakPolarHBondContact CB-OG 3.46Å; D1091-S1093 PolarHBondContact O-N 3.01Å; S1093-E1095 PolarHBondContact O-N 3.09Å; S1093-T1096 WeakPolarHBondContact CA-OG1 2.54Å; S1093-T1096 PolarHBondContact O-N 3.44Å; S1093-T1096 PolarHBondContact O-OG1 3.13Å; S1093-T1096 VanDerWaalsContact O-OG1 3.1Å |
| 1094 | D | 71.6 | Confident | 60.6 | Low | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 42% | 0.419 | C | S | . | . | G | 310 helix | 0 | 0 | 0 | 70.6 | -37.8 | 0 | 0 | 0 | 111.7 | Y1069 I1077 C1083 D1088 C1089 A1092 C1098 | Y1069-D1094 HydrophobicContact CE1-CB 4.11Å; I1077-D1094 HydrophobicContact CD1-CB 3.63Å; C1083-D1094 PolarHBondContact N-O 2.77Å; D1088-D1094 VanDerWaalsContact CB-OD2 3.31Å; D1088-D1094 WeakPolarHBondContact CB-OD2 3.44Å; D1088-D1094 PolarHBondContact N-OD2 2.81Å; C1089-D1094 HydrophobicContact CB-CB 3.78Å; C1089-D1094 VanDerWaalsContact CB-OD1 3.29Å; C1089-D1094 WeakPolarHBondContact CB-OD1 3.21Å; C1089-D1094 PolarHBondContact N-OD1 2.98Å; C1089-D1094 VanDerWaalsContact N-OD1 3.14Å; A1092-D1094 PolarHBondContact O-N 3.5Å; D1094-C1098 PolarHBondContact O-SG 2.66Å; D1094-C1098 VanDerWaalsContact O-SG 3.41Å | |
| 1095 | E | 73.9 | Confident | 60 | Low | 56 Ų | 56 | 77.1 Ų | 77.1 | 26% | 0.262 | 42% | 0.421 | S | S | . | . | G | 310 helix | 0 | 0 | 0 | -61.5 | -75.3 | 162.8 | 0 | 0 | 109.5 | D1084 G1085 A1092 S1093 C1098 | D1084-E1095 PolarHBondContact N-OE1 2.58Å; D1084-E1095 VanDerWaalsContact N-OE1 3.16Å; G1085-E1095 PolarHBondContact N-OE1 3.3Å; A1092-E1095 CarbonylContact O-C 3.54Å; A1092-E1095 WeakPolarHBondContact O-CA 2.62Å; A1092-E1095 WeakPolarHBondContact O-CB 3.49Å; A1092-E1095 PolarHBondContact O-N 2.17Å; S1093-E1095 PolarHBondContact O-N 3.09Å; E1095-C1098 VanDerWaalsContact C-SG 3.56Å; E1095-C1098 VanDerWaalsContact CA-SG 3.55Å | |
| 1096 | T | 62.3 | Low | 60 | Low | 84 Ų | 84 | 75.8 Ų | 75.8 | 52% | 0.515 | 40% | 0.399 | S | S | . | . | S | Bend | 0 | 0 | 0 | 55.6 | 0 | 0 | 0 | 0 | 108.8 | A1092 S1093 C1098 | A1092-T1096 VanDerWaalsContact O-CG2 3.31Å; A1092-T1096 WeakPolarHBondContact O-CG2 3.04Å; A1092-T1096 PolarHBondContact O-N 3.34Å; S1093-T1096 WeakPolarHBondContact CA-OG1 2.54Å; S1093-T1096 PolarHBondContact O-N 3.44Å; S1093-T1096 PolarHBondContact O-OG1 3.13Å; S1093-T1096 VanDerWaalsContact O-OG1 3.1Å; T1096-C1098 VanDerWaalsContact C-N 3.27Å; T1096-C1098 PolarHBondContact O-N 2.95Å | |
| 1097 | G | 56.8 | Low | 60.1 | Low | 80 Ų | 80 | 70.2 Ų | 70.2 | 83% | 0.825 | 38% | 0.378 | S | S | * | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||
| 1098 | C | 56.5 | Low | 60.4 | Low | 19 Ų | 19 | 67.9 Ų | 67.9 | 13% | 0.128 | 37% | 0.367 | C | S | . | . | 0 | 111.7 | 0 | -63.1 | 0 | 0 | 0 | 0 | 109.7 | C1083 D1094 E1095 T1096 | C1083-C1098 HydrophobicContact CB-CB 4.22Å; C1083-C1098 WeakPolarHBondContact SG-CB 3.44Å; C1083-C1098 CovalentContact SG-SG 2.54Å; C1083-C1098 PolarHBondContact SG-SG 2.67Å; D1094-C1098 PolarHBondContact O-SG 2.66Å; D1094-C1098 VanDerWaalsContact O-SG 3.41Å; E1095-C1098 VanDerWaalsContact C-SG 3.56Å; E1095-C1098 VanDerWaalsContact CA-SG 3.55Å; T1096-C1098 VanDerWaalsContact C-N 3.27Å; T1096-C1098 PolarHBondContact O-N 2.95Å | |||
| 1099 | P | 47 | Very low | 60.6 | Low | 97 Ų | 97 | 65.8 Ų | 65.8 | 63% | 0.63 | 36% | 0.356 | S | S | * | . | trans | -39.6 | 115.9 | 176.7 | -1.3 | 4.6 | 0 | 0 | 0 | 111.8 | R1101 | P1099-R1101 VanDerWaalsContact C-N 3.31Å; P1099-R1101 WeakPolarHBondContact O-CA 3.07Å; P1099-R1101 PolarHBondContact O-N 2.81Å | ||
| 1100 | P | 44.9 | Very low | 60.3 | Low | 74 Ų | 74 | 69.5 Ų | 69.5 | 48% | 0.481 | 38% | 0.382 | S | S | . | . | trans | -11.9 | 0 | 179.3 | 3.8 | 4.3 | 0 | 0 | 0 | 111.9 | C1102 Q1108 | P1100-C1102 PolarHBondContact O-N 3.13Å; P1100-Q1108 HydrophobicContact CB-CB 4.18Å; P1100-Q1108 HydrophobicContact CB-CG 4.08Å | ||
| 1101 | R | 45.2 | Very low | 59.8 | Low | 101 Ų | 101 | 61.4 Ų | 61.4 | 38% | 0.381 | 36% | 0.36 | S | S | . | . | 0 | 78.9 | 0 | -97.9 | -169.4 | 170.6 | 154.8 | 2 | 110.4 | R1082 C1083 P1099 | R1082-R1101 PolarHBondContact O-NH1 3.02Å; R1082-R1101 PolarHBondContact O-NH2 3.21Å; C1083-R1101 CovalentContact C-NH1 0.86Å; C1083-R1101 CovalentContact CA-NH1 1.39Å; C1083-R1101 VanDerWaalsContact CA-NH2 3.3Å; C1083-R1101 HydrophobicContact CB-CG 3.57Å; C1083-R1101 CovalentContact CB-CZ 1.89Å; C1083-R1101 WeakPolarHBondContact O-CD 3.11Å; C1083-R1101 WeakPolarHBondContact O-CG 3.13Å; C1083-R1101 CovalentContact O-NE 1.75Å; C1083-R1101 PolarHBondContact O-NE 2.7Å; C1083-R1101 PolarHBondContact O-NH1 2.51Å; C1083-R1101 PolarHBondContact O-NH2 2.97Å; P1099-R1101 VanDerWaalsContact C-N 3.31Å; P1099-R1101 WeakPolarHBondContact O-CA 3.07Å; P1099-R1101 PolarHBondContact O-N 2.81Å | |||
| 1102 | C | 47 | Very low | 59.7 | Low | 12 Ų | 12 | 59 Ų | 59 | 8% | 0.081 | 36% | 0.36 | C | S | . | . | trans | -72.4 | 116.7 | 131.9 | -64.7 | 0 | 0 | 0 | 0 | 110.4 | P1100 P1104 Q1106 Y1107 C1114 | P1100-C1102 PolarHBondContact O-N 3.13Å; C1102-P1104 VanDerWaalsContact O-N 3.15Å; C1102-Q1106 HydrophobicContact CB-CB 2.61Å; C1102-Q1106 HydrophobicContact CB-CG 4.04Å; C1102-Q1106 WeakPolarHBondContact CB-O 3.38Å; C1102-Q1106 VanDerWaalsContact SG-CB 3.53Å; C1102-Y1107 PolarHBondContact SG-O 3.22Å; C1102-Y1107 VanDerWaalsContact SG-O 3.34Å; C1102-C1114 HydrophobicContact CB-CB 4.3Å; C1102-C1114 WeakPolarHBondContact SG-CA 2.92Å; C1102-C1114 WeakPolarHBondContact SG-CB 3.06Å; C1102-C1114 PolarHBondContact SG-SG 2.35Å | ||
| 1103 | R | 48.5 | Very low | 59.7 | Low | 165 Ų | 165 | 63.2 Ų | 63.2 | 62% | 0.623 | 38% | 0.376 | S | S | * | . | trans | -20.2 | 115.7 | 168.5 | -65.8 | -172 | 167.8 | 100.6 | -1.7 | 111.3 | G1105 Q1106 | R1103-G1105 CarbonylContact O-C 3.54Å; R1103-G1105 WeakPolarHBondContact O-CA 3.25Å; R1103-G1105 PolarHBondContact O-N 2.63Å; R1103-Q1106 HydrophobicContact CB-CB 4.29Å; R1103-Q1106 HydrophobicContact CB-CG 3.68Å; R1103-Q1106 HydrophobicContact CG-CG 4.29Å; R1103-Q1106 PolarHBondContact O-N 2.37Å | ||
| 1104 | P | 47.7 | Very low | 59.6 | Low | 139 Ų | 139 | 66.1 Ų | 66.1 | 90% | 0.903 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -31 | 0 | 166.1 | -4.7 | 12.1 | 0 | 0 | 0 | 111.5 | C1102 | C1102-P1104 VanDerWaalsContact O-N 3.15Š|
| 1105 | G | 53 | Low | 59.3 | Low | 28 Ų | 28 | 66.5 Ų | 66.5 | 29% | 0.289 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111 | R1103 E1116 Q1117 | R1103-G1105 CarbonylContact O-C 3.54Å; R1103-G1105 WeakPolarHBondContact O-CA 3.25Å; R1103-G1105 PolarHBondContact O-N 2.63Å; G1105-E1116 CarbonylContact O-C 3.58Å; G1105-Q1117 VanDerWaalsContact CA-CD 3.46Å; G1105-Q1117 VanDerWaalsContact CA-OE1 3.28Å; G1105-Q1117 WeakPolarHBondContact O-CA 3.32Å; G1105-Q1117 WeakPolarHBondContact O-CB 1.8Å; G1105-Q1117 PolarHBondContact O-N 2.75Å | |
| 1106 | Q | 65.4 | Low | 59 | Low | 34 Ų | 34 | 68 Ų | 68 | 16% | 0.159 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -67.5 | -175.2 | -11.9 | 0 | 0 | 109.1 | C1102 R1103 I1115 E1116 | C1102-Q1106 HydrophobicContact CB-CB 2.61Å; C1102-Q1106 HydrophobicContact CB-CG 4.04Å; C1102-Q1106 WeakPolarHBondContact CB-O 3.38Å; C1102-Q1106 VanDerWaalsContact SG-CB 3.53Å; R1103-Q1106 HydrophobicContact CB-CB 4.29Å; R1103-Q1106 HydrophobicContact CB-CG 3.68Å; R1103-Q1106 HydrophobicContact CG-CG 4.29Å; R1103-Q1106 PolarHBondContact O-N 2.37Å; Q1106-I1115 CarbonylContact C-O 3.54Å; Q1106-I1115 WeakPolarHBondContact CA-O 3.32Å; Q1106-I1115 WeakPolarHBondContact CB-O 2.65Å; Q1106-E1116 VanDerWaalsContact CA-CA 3.44Å; Q1106-E1116 VanDerWaalsContact CG-CA 3.43Å; Q1106-E1116 HydrophobicContact CG-CB 4.13Å; Q1106-E1116 HydrophobicContact CG-CG 3.57Å | |
| 1107 | Y | 64.5 | Low | 59.1 | Low | 54 Ų | 54 | 69.9 Ų | 69.9 | 21% | 0.212 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 137.1 | 0 | 172.9 | -101.4 | 0 | 0 | 0 | 110.4 | C1102 I1115 R1120 D1132 | C1102-Y1107 PolarHBondContact SG-O 3.22Å; C1102-Y1107 VanDerWaalsContact SG-O 3.34Å; Y1107-I1115 CarbonylContact C-O 3.42Å; Y1107-I1115 WeakPolarHBondContact CA-O 3.26Å; Y1107-I1115 HydrophobicContact CD1-CD1 3.85Å; Y1107-I1115 HydrophobicContact CD1-CG1 3.95Å; Y1107-I1115 PolarHBondContact N-O 2.73Å; Y1107-I1115 WeakPolarHBondContact O-CG1 3.15Å; Y1107-I1115 PolarHBondContact O-N 3.3Å; Y1107-R1120 HydrophobicContact CD1-CB 3.47Å; Y1107-R1120 VanDerWaalsContact CD1-CB 3.47Å; Y1107-R1120 VanDerWaalsContact CD1-CD 3.42Å; Y1107-R1120 HydrophobicContact CD1-CG 3.24Å; Y1107-R1120 HydrophobicContact CD2-CB 3.99Å; Y1107-R1120 HydrophobicContact CD2-CG 3.51Å; Y1107-R1120 HydrophobicContact CE1-CB 4.13Å; Y1107-R1120 HydrophobicContact CE1-CG 3.37Å; Y1107-R1120 HydrophobicContact CE2-CG 3.63Å; Y1107-R1120 HydrophobicContact CG-CB 3.38Å; Y1107-R1120 HydrophobicContact CG-CG 3.32Å; Y1107-R1120 PolarHBondContact OH-NE 3.1Å; Y1107-R1120 VanDerWaalsContact OH-NE 3.12Å; Y1107-D1132 HydrophobicContact CE1-CB 4.36Å | |
| 1108 | Q | 73.3 | Confident | 59.6 | Low | 86 Ų | 86 | 72.2 Ų | 72.2 | 40% | 0.402 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 0 | -178.3 | -168.4 | 172 | -4 | 0 | 0 | 110 | P1100 | P1100-Q1108 HydrophobicContact CB-CB 4.18Å; P1100-Q1108 HydrophobicContact CB-CG 4.08Å |
| 1109 | C | 69.9 | Low | 60.1 | Low | 4 Ų | 4 | 73.9 Ų | 73.9 | 3% | 0.027 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | 0 | 0 | 0 | -80.8 | 0 | 0 | 0 | 0 | 110.9 | S1111 G1112 E1113 C1127 | C1109-S1111 PolarHBondContact O-N 2.88Å; C1109-G1112 PolarHBondContact O-N 2.69Å; C1109-E1113 HydrophobicContact CB-CB 4.3Å; C1109-E1113 WeakPolarHBondContact CB-O 3.3Å; C1109-E1113 PolarHBondContact N-O 2.4Å; C1109-C1127 WeakPolarHBondContact CA-SG 3.18Å; C1109-C1127 HydrophobicContact CB-CB 3.34Å; C1109-C1127 CovalentContact CB-SG 1.7Å; C1109-C1127 WeakPolarHBondContact CB-SG 3.39Å; C1109-C1127 WeakPolarHBondContact SG-CA 3.37Å; C1109-C1127 WeakPolarHBondContact SG-CB 3.25Å; C1109-C1127 CovalentContact SG-SG 0.98Å; C1109-C1127 PolarHBondContact SG-SG 1.81Å | |
| 1110 | S | 65.6 | Low | 60.4 | Low | 80 Ų | 80 | 74 Ų | 74 | 56% | 0.559 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | -20.2 | 0 | 23.4 | 0 | 0 | 0 | 0 | 111.7 | G1112 S1131 | S1110-G1112 VanDerWaalsContact C-N 3.25Å; S1110-S1131 WeakPolarHBondContact CB-OG 3.31Å; S1110-S1131 WeakPolarHBondContact OG-CA 3.37Å; S1110-S1131 WeakPolarHBondContact OG-CB 3.4Å; S1110-S1131 CovalentContact OG-OG 1.39Å; S1110-S1131 PolarHBondContact OG-OG 3.28Å | |
| 1111 | S | 61.6 | Low | 61.6 | Low | 55 Ų | 55 | 71.6 Ų | 71.6 | 39% | 0.385 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 0 | 175.5 | 63.6 | 0 | 0 | 0 | 0 | 111.1 | C1109 | C1109-S1111 PolarHBondContact O-N 2.88Š|
| 1112 | G | 62.9 | Low | 62.4 | Low | 52 Ų | 52 | 68.9 Ų | 68.9 | 54% | 0.536 | 37% | 0.369 | S | S | . | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.5 | C1109 S1110 | C1109-G1112 PolarHBondContact O-N 2.69Å; S1110-G1112 VanDerWaalsContact C-N 3.25Å | |
| 1113 | E | 65.6 | Low | 63.2 | Low | 105 Ų | 105 | 70.5 Ų | 70.5 | 49% | 0.491 | 39% | 0.388 | S | S | . | . | 0 | 139.7 | 0 | -50.2 | -135.6 | 171 | 0 | 0 | 110.3 | C1109 | C1109-E1113 HydrophobicContact CB-CB 4.3Å; C1109-E1113 WeakPolarHBondContact CB-O 3.3Å; C1109-E1113 PolarHBondContact N-O 2.4Å | |||
| 1114 | C | 67.4 | Low | 63.9 | Low | 64 Ų | 64 | 70.5 Ų | 70.5 | 43% | 0.432 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 0 | -175.6 | -67.3 | 0 | 0 | 0 | 0 | 110.1 | C1102 | C1102-C1114 HydrophobicContact CB-CB 4.3Å; C1102-C1114 WeakPolarHBondContact SG-CA 2.92Å; C1102-C1114 WeakPolarHBondContact SG-CB 3.06Å; C1102-C1114 PolarHBondContact SG-SG 2.35Å |
| 1115 | I | 66.4 | Low | 64.9 | Low | 8 Ų | 8 | 70.2 Ų | 70.2 | 4% | 0.041 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 134.6 | 0 | 55.5 | 169.4 | 0 | 0 | 0 | 109.3 | Q1106 Y1107 Q1117 M1119 R1120 D1126 D1132 | Q1106-I1115 CarbonylContact C-O 3.54Å; Q1106-I1115 WeakPolarHBondContact CA-O 3.32Å; Q1106-I1115 WeakPolarHBondContact CB-O 2.65Å; Y1107-I1115 CarbonylContact C-O 3.42Å; Y1107-I1115 WeakPolarHBondContact CA-O 3.26Å; Y1107-I1115 HydrophobicContact CD1-CD1 3.85Å; Y1107-I1115 HydrophobicContact CD1-CG1 3.95Å; Y1107-I1115 PolarHBondContact N-O 2.73Å; Y1107-I1115 WeakPolarHBondContact O-CG1 3.15Å; Y1107-I1115 PolarHBondContact O-N 3.3Å; I1115-Q1117 PolarHBondContact O-N 3.1Å; I1115-M1119 HydrophobicContact CB-CB 3.45Å; I1115-M1119 VanDerWaalsContact CB-CB 3.45Å; I1115-M1119 HydrophobicContact CB-CE 3.42Å; I1115-M1119 VanDerWaalsContact CB-CE 3.42Å; I1115-M1119 HydrophobicContact CB-CG 4.24Å; I1115-M1119 HydrophobicContact CB-SD 4.37Å; I1115-M1119 HydrophobicContact CD1-CB 3.58Å; I1115-M1119 WeakPolarHBondContact CD1-O 3.21Å; I1115-M1119 HydrophobicContact CG1-CB 3.87Å; I1115-M1119 HydrophobicContact CG2-CB 4.34Å; I1115-M1119 HydrophobicContact CG2-CE 3.59Å; I1115-R1120 HydrophobicContact CD1-CB 4.45Å; I1115-D1126 HydrophobicContact CD1-CB 4.46Å; I1115-D1126 HydrophobicContact CG2-CB 3.98Å; I1115-D1132 HydrophobicContact CD1-CB 3.52Å | |
| 1116 | E | 66.6 | Low | 65.4 | Low | 86 Ų | 86 | 71.1 Ų | 71.1 | 40% | 0.402 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -44.4 | 0 | 175.2 | -89.8 | -163.1 | -169.5 | 0 | 0 | 111.4 | G1105 Q1106 Q1118 M1119 | G1105-E1116 CarbonylContact O-C 3.58Å; Q1106-E1116 VanDerWaalsContact CA-CA 3.44Å; Q1106-E1116 VanDerWaalsContact CG-CA 3.43Å; Q1106-E1116 HydrophobicContact CG-CB 4.13Å; Q1106-E1116 HydrophobicContact CG-CG 3.57Å; E1116-Q1118 HydrophobicContact CB-CG 3.68Å; E1116-Q1118 CarbonylContact O-C 3.36Å; E1116-Q1118 WeakPolarHBondContact O-CA 3.44Å; E1116-Q1118 PolarHBondContact O-N 2.79Å; E1116-Q1118 VanDerWaalsContact OE2-CD 3.24Å; E1116-Q1118 PolarHBondContact OE2-NE2 3.2Å; E1116-M1119 HydrophobicContact CB-CG 4.29Å; E1116-M1119 VanDerWaalsContact O-CA 3.3Å; E1116-M1119 WeakPolarHBondContact O-CA 3.08Å; E1116-M1119 VanDerWaalsContact O-CB 3.24Å; E1116-M1119 WeakPolarHBondContact O-CB 3.46Å; E1116-M1119 PolarHBondContact O-N 2.16Å |
| 1117 | Q | 64.9 | Low | 65.8 | Low | 124 Ų | 124 | 69.5 Ų | 69.5 | 58% | 0.579 | 37% | 0.366 | S | S | * | . | G | 310 helix | 0 | 0 | 0 | -117.7 | 164.7 | 34.9 | 0 | 0 | 111.7 | G1105 I1115 M1119 R1120 | G1105-Q1117 VanDerWaalsContact CA-CD 3.46Å; G1105-Q1117 VanDerWaalsContact CA-OE1 3.28Å; G1105-Q1117 WeakPolarHBondContact O-CA 3.32Å; G1105-Q1117 WeakPolarHBondContact O-CB 1.8Å; G1105-Q1117 PolarHBondContact O-N 2.75Å; I1115-Q1117 PolarHBondContact O-N 3.1Å; Q1117-M1119 PolarHBondContact O-N 3.13Å; Q1117-R1120 PolarHBondContact O-N 2.82Å | |
| 1118 | Q | 67 | Low | 66.2 | Low | 130 Ų | 130 | 77.5 Ų | 77.5 | 61% | 0.607 | 40% | 0.395 | S | S | * | . | G | 310 helix | 0 | -9.4 | 0 | 50.3 | -176.5 | -12.2 | 0 | 0 | 111.4 | E1116 D1122 | E1116-Q1118 HydrophobicContact CB-CG 3.68Å; E1116-Q1118 CarbonylContact O-C 3.36Å; E1116-Q1118 WeakPolarHBondContact O-CA 3.44Å; E1116-Q1118 PolarHBondContact O-N 2.79Å; E1116-Q1118 VanDerWaalsContact OE2-CD 3.24Å; E1116-Q1118 PolarHBondContact OE2-NE2 3.2Å; Q1118-D1122 WeakPolarHBondContact O-CB 2.87Å | |
| 1119 | M | 67.2 | Low | 65.9 | Low | 53 Ų | 53 | 78.1 Ų | 78.1 | 26% | 0.261 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -101 | 0 | -174.3 | -67.4 | -143.8 | -81 | 0 | 0 | 109.4 | I1115 E1116 Q1117 D1122 | I1115-M1119 HydrophobicContact CB-CB 3.45Å; I1115-M1119 VanDerWaalsContact CB-CB 3.45Å; I1115-M1119 HydrophobicContact CB-CE 3.42Å; I1115-M1119 VanDerWaalsContact CB-CE 3.42Å; I1115-M1119 HydrophobicContact CB-CG 4.24Å; I1115-M1119 HydrophobicContact CB-SD 4.37Å; I1115-M1119 HydrophobicContact CD1-CB 3.58Å; I1115-M1119 WeakPolarHBondContact CD1-O 3.21Å; I1115-M1119 HydrophobicContact CG1-CB 3.87Å; I1115-M1119 HydrophobicContact CG2-CB 4.34Å; I1115-M1119 HydrophobicContact CG2-CE 3.59Å; E1116-M1119 HydrophobicContact CB-CG 4.29Å; E1116-M1119 VanDerWaalsContact O-CA 3.3Å; E1116-M1119 WeakPolarHBondContact O-CA 3.08Å; E1116-M1119 VanDerWaalsContact O-CB 3.24Å; E1116-M1119 WeakPolarHBondContact O-CB 3.46Å; E1116-M1119 PolarHBondContact O-N 2.16Å; Q1117-M1119 PolarHBondContact O-N 3.13Å; M1119-D1122 VanDerWaalsContact CA-CG 3.44Å; M1119-D1122 WeakPolarHBondContact CA-OD2 3.21Å; M1119-D1122 VanDerWaalsContact O-OD1 3.05Å |
| 1120 | R | 54.2 | Low | 65.6 | Low | 101 Ų | 101 | 79.1 Ų | 79.1 | 38% | 0.381 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -163.4 | -174.3 | -176.3 | -119.7 | 2.2 | 110.2 | Y1107 I1115 Q1117 | Y1107-R1120 HydrophobicContact CD1-CB 3.47Å; Y1107-R1120 VanDerWaalsContact CD1-CB 3.47Å; Y1107-R1120 VanDerWaalsContact CD1-CD 3.42Å; Y1107-R1120 HydrophobicContact CD1-CG 3.24Å; Y1107-R1120 HydrophobicContact CD2-CB 3.99Å; Y1107-R1120 HydrophobicContact CD2-CG 3.51Å; Y1107-R1120 HydrophobicContact CE1-CB 4.13Å; Y1107-R1120 HydrophobicContact CE1-CG 3.37Å; Y1107-R1120 HydrophobicContact CE2-CG 3.63Å; Y1107-R1120 HydrophobicContact CG-CB 3.38Å; Y1107-R1120 HydrophobicContact CG-CG 3.32Å; Y1107-R1120 PolarHBondContact OH-NE 3.1Å; Y1107-R1120 VanDerWaalsContact OH-NE 3.12Å; I1115-R1120 HydrophobicContact CD1-CB 4.45Å; Q1117-R1120 PolarHBondContact O-N 2.82Å | |
| 1121 | C | 70.4 | Confident | 65.8 | Low | 22 Ų | 22 | 75.7 Ų | 75.7 | 15% | 0.149 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -65.9 | 0 | 0 | 0 | 0 | 110.7 | D1132 C1136 R1139 | C1121-D1132 PolarHBondContact N-O 2.72Å; C1121-C1136 HydrophobicContact CB-CB 3.43Å; C1121-C1136 VanDerWaalsContact CB-CB 3.43Å; C1121-C1136 WeakPolarHBondContact CB-SG 3.32Å; C1121-C1136 WeakPolarHBondContact SG-CA 3.2Å; C1121-C1136 CovalentContact SG-CB 2.03Å; C1121-C1136 WeakPolarHBondContact SG-CB 3.37Å; C1121-C1136 CovalentContact SG-SG 1.86Å; C1121-C1136 PolarHBondContact SG-SG 3.41Å; C1121-R1139 HydrophobicContact CB-CG 4.04Å; C1121-R1139 WeakPolarHBondContact O-CD 3.31Å; C1121-R1139 WeakPolarHBondContact O-CG 3.43Å; C1121-R1139 PolarHBondContact O-NE 3.09Å; C1121-R1139 PolarHBondContact O-NH2 3.02Å | |
| 1122 | D | 60.9 | Low | 66.2 | Low | 44 Ų | 44 | 73 Ų | 73 | 24% | 0.235 | 37% | 0.368 | C | S | . | . | S | Bend | 0 | 0 | 0 | 63.3 | -11.2 | 0 | 0 | 0 | 110.2 | Q1118 M1119 R1124 E1133 R1139 | Q1118-D1122 WeakPolarHBondContact O-CB 2.87Å; M1119-D1122 VanDerWaalsContact CA-CG 3.44Å; M1119-D1122 WeakPolarHBondContact CA-OD2 3.21Å; M1119-D1122 VanDerWaalsContact O-OD1 3.05Å; D1122-R1124 PolarHBondContact O-N 3.42Å; D1122-R1124 PolarHBondContact OD1-N 2.84Å; D1122-R1124 IonicContact OD2-NE 3.13Å; D1122-E1133 PolarHBondContact N-OE1 2.93Å; D1122-R1139 VanDerWaalsContact N-CZ 3.31Å; D1122-R1139 IonicContact OD1-NH2 3.51Å | |
| 1123 | G | 65.1 | Low | 66.7 | Low | 47 Ų | 47 | 73.4 Ų | 73.4 | 49% | 0.485 | 36% | 0.355 | S | S | . | . | S | Bend | 0 | 10.3 | 0 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1133 R1139 | G1123-E1133 PolarHBondContact N-OE1 2.76Å; G1123-E1133 VanDerWaalsContact N-OE1 3.08Å; G1123-R1139 CovalentContact N-NH2 1.48Å | |
| 1124 | R | 62.6 | Low | 66.6 | Low | 164 Ų | 164 | 72.7 Ų | 72.7 | 62% | 0.619 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -129.3 | 124 | 174.3 | -56.6 | -169.6 | -79.5 | -156.7 | 1 | 109.3 | D1122 D1126 E1133 | D1122-R1124 PolarHBondContact O-N 3.42Å; D1122-R1124 PolarHBondContact OD1-N 2.84Å; D1122-R1124 IonicContact OD2-NE 3.13Å; R1124-D1126 WeakPolarHBondContact CB-OD1 3.45Å; R1124-D1126 PolarHBondContact O-N 3.26Å; R1124-E1133 PolarHBondContact N-OE1 2.99Å |
| 1125 | Q | 68.3 | Low | 66.1 | Low | 133 Ų | 133 | 73.4 Ų | 73.4 | 62% | 0.621 | 38% | 0.377 | S | S | * | . | trans | -59.6 | 83.1 | 172.5 | -156.7 | -179 | 12.4 | 0 | 0 | 111.2 | C1127 A1130 | Q1125-C1127 WeakPolarHBondContact CG-O 3.23Å; Q1125-A1130 HydrophobicContact CG-CB 3.67Å | ||
| 1126 | D | 63.6 | Low | 65.6 | Low | 47 Ų | 47 | 74.7 Ų | 74.7 | 25% | 0.251 | 39% | 0.386 | S | S | . | . | trans | -89.4 | 0 | -177.6 | -64.4 | -47.5 | 0 | 0 | 0 | 110.3 | I1115 R1124 D1132 | I1115-D1126 HydrophobicContact CD1-CB 4.46Å; I1115-D1126 HydrophobicContact CG2-CB 3.98Å; R1124-D1126 WeakPolarHBondContact CB-OD1 3.45Å; R1124-D1126 PolarHBondContact O-N 3.26Å; D1126-D1132 WeakPolarHBondContact CA-OD2 3.17Å; D1126-D1132 WeakPolarHBondContact CB-OD2 3.32Å; D1126-D1132 PolarHBondContact N-OD1 3.3Å; D1126-D1132 PolarHBondContact N-OD2 3.44Å | ||
| 1127 | C | 74.5 | Confident | 64.7 | Low | 1 Ų | 1 | 75.1 Ų | 75.1 | 1% | 0.007 | 40% | 0.396 | C | S | . | . | S | Bend | 0 | 130.9 | 0 | -101.3 | 0 | 0 | 0 | 0 | 109.7 | C1109 Q1125 D1129 A1130 D1132 | C1109-C1127 WeakPolarHBondContact CA-SG 3.18Å; C1109-C1127 HydrophobicContact CB-CB 3.34Å; C1109-C1127 CovalentContact CB-SG 1.7Å; C1109-C1127 WeakPolarHBondContact CB-SG 3.39Å; C1109-C1127 WeakPolarHBondContact SG-CA 3.37Å; C1109-C1127 WeakPolarHBondContact SG-CB 3.25Å; C1109-C1127 CovalentContact SG-SG 0.98Å; C1109-C1127 PolarHBondContact SG-SG 1.81Å; Q1125-C1127 WeakPolarHBondContact CG-O 3.23Å; C1127-D1129 PolarHBondContact O-N 3.39Å; C1127-D1129 VanDerWaalsContact O-N 3.11Å; C1127-A1130 WeakPolarHBondContact O-CA 3.31Å; C1127-A1130 PolarHBondContact O-N 2.55Å; C1127-D1132 HydrophobicContact CB-CB 3.81Å; C1127-D1132 PolarHBondContact N-OD1 3.15Å | |
| 1128 | R | 72.4 | Confident | 63.8 | Low | 221 Ų | 221 | 73.1 Ų | 73.1 | 83% | 0.834 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 0 | -177.3 | -128.6 | 178.7 | 164 | 158.4 | 1 | 111.1 | ||
| 1129 | D | 66.5 | Low | 63.1 | Low | 99 Ų | 99 | 71.3 Ų | 71.3 | 53% | 0.529 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 15.4 | 0 | -165.9 | 8.7 | 0 | 0 | 0 | 110.2 | C1127 S1131 | C1127-D1129 PolarHBondContact O-N 3.39Å; C1127-D1129 VanDerWaalsContact O-N 3.11Å; D1129-S1131 WeakPolarHBondContact CB-OG 3.25Å; D1129-S1131 PolarHBondContact O-N 3.32Å | |
| 1130 | A | 63.4 | Low | 62.3 | Low | 26 Ų | 26 | 70 Ų | 70 | 22% | 0.215 | 38% | 0.377 | C | S | . | . | S | Bend | trans | 50.4 | 24.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q1125 C1127 D1132 E1133 T1134 | Q1125-A1130 HydrophobicContact CG-CB 3.67Å; C1127-A1130 WeakPolarHBondContact O-CA 3.31Å; C1127-A1130 PolarHBondContact O-N 2.55Å; A1130-D1132 PolarHBondContact O-N 2.95Å; A1130-E1133 PolarHBondContact O-N 3.33Å; A1130-E1133 VanDerWaalsContact O-N 3.07Å; A1130-T1134 WeakPolarHBondContact O-CG2 3.49Å |
| 1131 | S | 70.3 | Confident | 62 | Low | 7 Ų | 7 | 73.4 Ų | 73.4 | 5% | 0.049 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -73.2 | 0 | -178.8 | -57.8 | 0 | 0 | 0 | 0 | 111.1 | S1110 D1129 E1133 T1134 | S1110-S1131 WeakPolarHBondContact CB-OG 3.31Å; S1110-S1131 WeakPolarHBondContact OG-CA 3.37Å; S1110-S1131 WeakPolarHBondContact OG-CB 3.4Å; S1110-S1131 CovalentContact OG-OG 1.39Å; S1110-S1131 PolarHBondContact OG-OG 3.28Å; D1129-S1131 WeakPolarHBondContact CB-OG 3.25Å; D1129-S1131 PolarHBondContact O-N 3.32Å; S1131-E1133 PolarHBondContact O-N 3.23Å; S1131-T1134 PolarHBondContact O-N 3.07Å; S1131-T1134 PolarHBondContact O-OG1 3.4Å |
| 1132 | D | 71 | Confident | 61 | Low | 0 Ų | 0 | 79.3 Ų | 79.3 | 0% | 0 | 43% | 0.428 | C | S | . | . | G | 310 helix | 0 | 0 | 0 | 73.7 | -32.6 | 0 | 0 | 0 | 111.1 | Y1107 I1115 C1121 D1126 C1127 A1130 | Y1107-D1132 HydrophobicContact CE1-CB 4.36Å; I1115-D1132 HydrophobicContact CD1-CB 3.52Å; C1121-D1132 PolarHBondContact N-O 2.72Å; D1126-D1132 WeakPolarHBondContact CA-OD2 3.17Å; D1126-D1132 WeakPolarHBondContact CB-OD2 3.32Å; D1126-D1132 PolarHBondContact N-OD1 3.3Å; D1126-D1132 PolarHBondContact N-OD2 3.44Å; C1127-D1132 HydrophobicContact CB-CB 3.81Å; C1127-D1132 PolarHBondContact N-OD1 3.15Å; A1130-D1132 PolarHBondContact O-N 2.95Å | |
| 1133 | E | 73 | Confident | 60.6 | Low | 59 Ų | 59 | 78.5 Ų | 78.5 | 28% | 0.276 | 43% | 0.43 | S | S | . | . | G | 310 helix | 0 | 0 | 0 | -61.2 | -75.3 | 161.2 | 0 | 0 | 109.6 | D1122 G1123 R1124 A1130 S1131 R1139 | D1122-E1133 PolarHBondContact N-OE1 2.93Å; G1123-E1133 PolarHBondContact N-OE1 2.76Å; G1123-E1133 VanDerWaalsContact N-OE1 3.08Å; R1124-E1133 PolarHBondContact N-OE1 2.99Å; A1130-E1133 PolarHBondContact O-N 3.33Å; A1130-E1133 VanDerWaalsContact O-N 3.07Å; S1131-E1133 PolarHBondContact O-N 3.23Å; E1133-R1139 IonicContact OE1-CZ 3.44Å; E1133-R1139 IonicContact OE1-NH2 3.31Å; E1133-R1139 PolarHBondContact OE1-NH2 3.25Å; E1133-R1139 IonicContact OE2-CZ 3.48Å; E1133-R1139 IonicContact OE2-NE 3.96Å; E1133-R1139 IonicContact OE2-NH1 1.75Å; E1133-R1139 IonicContact OE2-NH2 2.91Å; E1133-R1139 PolarHBondContact OE2-NH2 2.83Å | |
| 1134 | T | 64 | Low | 60.5 | Low | 90 Ų | 90 | 78.2 Ų | 78.2 | 55% | 0.552 | 42% | 0.417 | S | S | * | . | S | Bend | 0 | 0 | 0 | 55.1 | 0 | 0 | 0 | 0 | 108.9 | A1130 S1131 | A1130-T1134 WeakPolarHBondContact O-CG2 3.49Å; S1131-T1134 PolarHBondContact O-N 3.07Å; S1131-T1134 PolarHBondContact O-OG1 3.4Å | |
| 1135 | G | 55.1 | Low | 60.5 | Low | 80 Ų | 80 | 72.8 Ų | 72.8 | 83% | 0.825 | 40% | 0.396 | S | S | * | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.8 | P1137 | G1135-P1137 WeakPolarHBondContact O-CD 3.18Š| |
| 1136 | C | 55.9 | Low | 60.6 | Low | 35 Ų | 35 | 69.3 Ų | 69.3 | 24% | 0.236 | 38% | 0.38 | C | S | . | . | 0 | 115 | 0 | -66.6 | 0 | 0 | 0 | 0 | 109.7 | C1121 | C1121-C1136 HydrophobicContact CB-CB 3.43Å; C1121-C1136 VanDerWaalsContact CB-CB 3.43Å; C1121-C1136 WeakPolarHBondContact CB-SG 3.32Å; C1121-C1136 WeakPolarHBondContact SG-CA 3.2Å; C1121-C1136 CovalentContact SG-CB 2.03Å; C1121-C1136 WeakPolarHBondContact SG-CB 3.37Å; C1121-C1136 CovalentContact SG-SG 1.86Å; C1121-C1136 PolarHBondContact SG-SG 3.41Å | |||
| 1137 | P | 47.6 | Very low | 60.8 | Low | 94 Ų | 94 | 67.2 Ų | 67.2 | 61% | 0.61 | 37% | 0.369 | S | S | * | . | trans | -61.5 | 118.6 | 174.9 | 1.7 | 1.6 | 0 | 0 | 0 | 111.8 | G1135 R1139 | G1135-P1137 WeakPolarHBondContact O-CD 3.18Å; P1137-R1139 PolarHBondContact O-N 3.47Å | ||
| 1138 | P | 47.3 | Very low | 60.4 | Low | 82 Ų | 82 | 71.2 Ų | 71.2 | 53% | 0.532 | 40% | 0.397 | S | S | . | . | trans | -16.8 | 0 | 179.9 | 6.1 | 6.2 | 0 | 0 | 0 | 111.9 | C1140 Q1146 | P1138-C1140 PolarHBondContact O-N 3.27Å; P1138-Q1146 HydrophobicContact CB-CB 4.26Å; P1138-Q1146 HydrophobicContact CB-CG 3.72Å; P1138-Q1146 CovalentContact CB-OE1 1.65Å; P1138-Q1146 PolarHBondContact O-OE1 2.62Å | ||
| 1139 | R | 51.1 | Low | 59.8 | Low | 92 Ų | 92 | 63.2 Ų | 63.2 | 35% | 0.347 | 38% | 0.375 | S | S | . | . | 0 | 0 | 0 | -86 | -168.8 | 166.7 | 157.3 | -5 | 111.7 | C1121 D1122 G1123 E1133 P1137 C1152 | C1121-R1139 HydrophobicContact CB-CG 4.04Å; C1121-R1139 WeakPolarHBondContact O-CD 3.31Å; C1121-R1139 WeakPolarHBondContact O-CG 3.43Å; C1121-R1139 PolarHBondContact O-NE 3.09Å; C1121-R1139 PolarHBondContact O-NH2 3.02Å; D1122-R1139 VanDerWaalsContact N-CZ 3.31Å; D1122-R1139 IonicContact OD1-NH2 3.51Å; G1123-R1139 CovalentContact N-NH2 1.48Å; E1133-R1139 IonicContact OE1-CZ 3.44Å; E1133-R1139 IonicContact OE1-NH2 3.31Å; E1133-R1139 PolarHBondContact OE1-NH2 3.25Å; E1133-R1139 IonicContact OE2-CZ 3.48Å; E1133-R1139 IonicContact OE2-NE 3.96Å; E1133-R1139 IonicContact OE2-NH1 1.75Å; E1133-R1139 IonicContact OE2-NH2 2.91Å; E1133-R1139 PolarHBondContact OE2-NH2 2.83Å; P1137-R1139 PolarHBondContact O-N 3.47Å; R1139-C1152 WeakPolarHBondContact O-CB 3.4Å; R1139-C1152 CovalentContact O-SG 1.43Å; R1139-C1152 PolarHBondContact O-SG 3.33Å | |||
| 1140 | C | 50.8 | Low | 59.5 | Low | 25 Ų | 25 | 60.8 Ų | 60.8 | 17% | 0.169 | 37% | 0.373 | C | S | . | . | 0 | 120.2 | 0 | -63.2 | 0 | 0 | 0 | 0 | 109.3 | P1138 Q1144 Y1145 Q1146 C1152 | P1138-C1140 PolarHBondContact O-N 3.27Å; C1140-Q1144 HydrophobicContact CB-CB 3.52Å; C1140-Q1144 WeakPolarHBondContact CB-O 3.45Å; C1140-Y1145 PolarHBondContact SG-O 3.23Å; C1140-Q1146 HydrophobicContact CB-CB 4.1Å; C1140-Q1146 WeakPolarHBondContact SG-CA 3.47Å; C1140-Q1146 WeakPolarHBondContact SG-CB 3.48Å; C1140-Q1146 VanDerWaalsContact SG-CG 3.6Å; C1140-Q1146 PolarHBondContact SG-N 3.32Å; C1140-C1152 WeakPolarHBondContact CA-SG 2.86Å; C1140-C1152 HydrophobicContact CB-CB 3.56Å; C1140-C1152 VanDerWaalsContact CB-SG 3.55Å; C1140-C1152 PolarHBondContact N-SG 2.33Å; C1140-C1152 VanDerWaalsContact N-SG 3.39Å; C1140-C1152 WeakPolarHBondContact SG-CA 3.48Å; C1140-C1152 WeakPolarHBondContact SG-CB 1.93Å; C1140-C1152 CovalentContact SG-SG 2.4Å; C1140-C1152 PolarHBondContact SG-SG 3.17Å | |||
| 1141 | R | 49.2 | Very low | 59.5 | Low | 173 Ų | 173 | 64.6 Ų | 64.6 | 65% | 0.653 | 39% | 0.387 | S | S | * | . | trans | -35.3 | 0 | 175.1 | -66.1 | -172.7 | 166.8 | 95.5 | -2.5 | 111.6 | G1143 Q1144 | R1141-G1143 CarbonylContact O-C 3.38Å; R1141-G1143 PolarHBondContact O-N 3.49Å; R1141-Q1144 HydrophobicContact CB-CB 4.01Å; R1141-Q1144 VanDerWaalsContact CB-CD 3.45Å; R1141-Q1144 HydrophobicContact CB-CG 3.69Å; R1141-Q1144 HydrophobicContact CG-CG 4.49Å; R1141-Q1144 VanDerWaalsContact O-CA 3.25Å; R1141-Q1144 WeakPolarHBondContact O-CA 3.16Å; R1141-Q1144 VanDerWaalsContact O-CB 3.26Å; R1141-Q1144 WeakPolarHBondContact O-CB 3.38Å; R1141-Q1144 PolarHBondContact O-N 3.39Å | ||
| 1142 | P | 48.7 | Very low | 59.3 | Low | 146 Ų | 146 | 66.5 Ų | 66.5 | 95% | 0.948 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -3.7 | 12.1 | 0 | 0 | 0 | 111.7 | |||
| 1143 | G | 51.9 | Low | 59.1 | Low | 27 Ų | 27 | 67.1 Ų | 67.1 | 28% | 0.278 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | -2.5 | 0 | 0 | 0 | 0 | 0 | 0 | 110.8 | R1141 E1154 Q1155 | R1141-G1143 CarbonylContact O-C 3.38Å; R1141-G1143 PolarHBondContact O-N 3.49Å; G1143-E1154 CarbonylContact O-C 3.46Å; G1143-Q1155 VanDerWaalsContact CA-CD 3.48Å; G1143-Q1155 WeakPolarHBondContact O-CA 2.58Å; G1143-Q1155 WeakPolarHBondContact O-CB 3.28Å; G1143-Q1155 PolarHBondContact O-N 3.21Å | |
| 1144 | Q | 63.1 | Low | 58.7 | Low | 42 Ų | 42 | 68.6 Ų | 68.6 | 20% | 0.196 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 122.6 | 175.4 | -68.3 | -175.8 | -10.5 | 0 | 0 | 109.1 | C1140 R1141 I1153 E1154 | C1140-Q1144 HydrophobicContact CB-CB 3.52Å; C1140-Q1144 WeakPolarHBondContact CB-O 3.45Å; R1141-Q1144 HydrophobicContact CB-CB 4.01Å; R1141-Q1144 VanDerWaalsContact CB-CD 3.45Å; R1141-Q1144 HydrophobicContact CB-CG 3.69Å; R1141-Q1144 HydrophobicContact CG-CG 4.49Å; R1141-Q1144 VanDerWaalsContact O-CA 3.25Å; R1141-Q1144 WeakPolarHBondContact O-CA 3.16Å; R1141-Q1144 VanDerWaalsContact O-CB 3.26Å; R1141-Q1144 WeakPolarHBondContact O-CB 3.38Å; R1141-Q1144 PolarHBondContact O-N 3.39Å; Q1144-I1153 CarbonylContact C-O 3.51Å; Q1144-I1153 WeakPolarHBondContact CA-O 3.15Å; Q1144-I1153 WeakPolarHBondContact CB-O 3.42Å; Q1144-E1154 HydrophobicContact CG-CB 4.44Å; Q1144-E1154 HydrophobicContact CG-CG 3.92Å |
| 1145 | Y | 63.9 | Low | 58.8 | Low | 50 Ų | 50 | 70.3 Ų | 70.3 | 20% | 0.196 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 127.2 | 176.3 | 172.5 | -101.4 | 0 | 0 | 0 | 110.5 | C1140 C1152 I1153 R1158 D1170 | C1140-Y1145 PolarHBondContact SG-O 3.23Å; Y1145-C1152 CarbonylContact O-C 3.54Å; Y1145-I1153 WeakPolarHBondContact CA-O 2.85Å; Y1145-I1153 HydrophobicContact CD1-CD1 3.87Å; Y1145-I1153 HydrophobicContact CD1-CG1 3.93Å; Y1145-I1153 PolarHBondContact N-O 2.99Å; Y1145-I1153 WeakPolarHBondContact O-CG1 3.13Å; Y1145-I1153 PolarHBondContact O-N 2.67Å; Y1145-I1153 VanDerWaalsContact O-O 3.07Å; Y1145-R1158 HydrophobicContact CD1-CB 3.93Å; Y1145-R1158 HydrophobicContact CD1-CG 3.83Å; Y1145-R1158 HydrophobicContact CD2-CB 4.37Å; Y1145-R1158 HydrophobicContact CD2-CG 3.94Å; Y1145-R1158 VanDerWaalsContact CD2-NE 3.3Å; Y1145-R1158 HydrophobicContact CE1-CG 4.07Å; Y1145-R1158 HydrophobicContact CE2-CG 4.18Å; Y1145-R1158 HydrophobicContact CG-CB 3.77Å; Y1145-R1158 HydrophobicContact CG-CG 3.76Å; Y1145-D1170 HydrophobicContact CD1-CB 4.43Å; Y1145-D1170 HydrophobicContact CE1-CB 4.23Å |
| 1146 | Q | 69.3 | Low | 59.3 | Low | 59 Ų | 59 | 73 Ų | 73 | 28% | 0.276 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 0 | 178.9 | -167.7 | 172.3 | -3.8 | 0 | 0 | 110.2 | P1138 C1140 E1151 | P1138-Q1146 HydrophobicContact CB-CB 4.26Å; P1138-Q1146 HydrophobicContact CB-CG 3.72Å; P1138-Q1146 CovalentContact CB-OE1 1.65Å; P1138-Q1146 PolarHBondContact O-OE1 2.62Å; C1140-Q1146 HydrophobicContact CB-CB 4.1Å; C1140-Q1146 WeakPolarHBondContact SG-CA 3.47Å; C1140-Q1146 WeakPolarHBondContact SG-CB 3.48Å; C1140-Q1146 VanDerWaalsContact SG-CG 3.6Å; C1140-Q1146 PolarHBondContact SG-N 3.32Å; Q1146-E1151 CarbonylContact C-O 3.37Å |
| 1147 | C | 68.8 | Low | 59.8 | Low | 3 Ų | 3 | 74.2 Ų | 74.2 | 2% | 0.02 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | 0 | 135.8 | 0 | -83.5 | 0 | 0 | 0 | 0 | 111.3 | S1149 G1150 E1151 C1165 | C1147-S1149 PolarHBondContact O-N 2.72Å; C1147-S1149 VanDerWaalsContact O-N 3.11Å; C1147-G1150 WeakPolarHBondContact O-CA 3.35Å; C1147-G1150 PolarHBondContact O-N 2.65Å; C1147-E1151 HydrophobicContact CB-CB 4.26Å; C1147-E1151 VanDerWaalsContact CB-O 3.28Å; C1147-E1151 WeakPolarHBondContact CB-O 3.26Å; C1147-E1151 PolarHBondContact N-O 2.83Å; C1147-C1165 WeakPolarHBondContact CA-SG 3.43Å; C1147-C1165 HydrophobicContact CB-CB 3.37Å; C1147-C1165 CovalentContact CB-SG 1.64Å; C1147-C1165 WeakPolarHBondContact CB-SG 3.37Å; C1147-C1165 WeakPolarHBondContact SG-CA 3.41Å; C1147-C1165 WeakPolarHBondContact SG-CB 3.35Å; C1147-C1165 CovalentContact SG-SG 1.59Å; C1147-C1165 PolarHBondContact SG-SG 2.47Å | |
| 1148 | S | 64.2 | Low | 60.1 | Low | 86 Ų | 86 | 74.8 Ų | 74.8 | 60% | 0.601 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | -21.6 | 176.5 | -39.1 | 0 | 0 | 0 | 0 | 111.5 | S1169 | S1148-S1169 VanDerWaalsContact CB-CB 3.47Å; S1148-S1169 WeakPolarHBondContact CB-OG 3.44Å; S1148-S1169 WeakPolarHBondContact OG-CB 3.36Å; S1148-S1169 PolarHBondContact OG-OG 1.43Å |
| 1149 | S | 59.8 | Low | 61.2 | Low | 52 Ų | 52 | 72.1 Ų | 72.1 | 36% | 0.364 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 1.3 | 175.3 | 63.4 | 0 | 0 | 0 | 0 | 111.3 | C1147 C1165 | C1147-S1149 PolarHBondContact O-N 2.72Å; C1147-S1149 VanDerWaalsContact O-N 3.11Å; S1149-C1165 PolarHBondContact OG-SG 3.28Å; S1149-C1165 VanDerWaalsContact OG-SG 3.38Å |
| 1150 | G | 61.9 | Low | 61.6 | Low | 48 Ų | 48 | 69.9 Ų | 69.9 | 50% | 0.495 | 37% | 0.373 | S | S | . | . | S | Bend | trans | 102 | 0 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | C1147 | C1147-G1150 WeakPolarHBondContact O-CA 3.35Å; C1147-G1150 PolarHBondContact O-N 2.65Å |
| 1151 | E | 61.9 | Low | 62.3 | Low | 106 Ų | 106 | 70.8 Ų | 70.8 | 50% | 0.495 | 39% | 0.387 | S | S | . | . | 0 | 142.2 | 0 | -47.1 | -128 | 172.3 | 0 | 0 | 110.1 | Q1146 C1147 | Q1146-E1151 CarbonylContact C-O 3.37Å; C1147-E1151 HydrophobicContact CB-CB 4.26Å; C1147-E1151 VanDerWaalsContact CB-O 3.28Å; C1147-E1151 WeakPolarHBondContact CB-O 3.26Å; C1147-E1151 PolarHBondContact N-O 2.83Å | |||
| 1152 | C | 67 | Low | 62.9 | Low | 48 Ų | 48 | 70.2 Ų | 70.2 | 32% | 0.324 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 0 | -174.1 | -65.7 | 0 | 0 | 0 | 0 | 110 | R1139 C1140 Y1145 | R1139-C1152 WeakPolarHBondContact O-CB 3.4Å; R1139-C1152 CovalentContact O-SG 1.43Å; R1139-C1152 PolarHBondContact O-SG 3.33Å; C1140-C1152 WeakPolarHBondContact CA-SG 2.86Å; C1140-C1152 HydrophobicContact CB-CB 3.56Å; C1140-C1152 VanDerWaalsContact CB-SG 3.55Å; C1140-C1152 PolarHBondContact N-SG 2.33Å; C1140-C1152 VanDerWaalsContact N-SG 3.39Å; C1140-C1152 WeakPolarHBondContact SG-CA 3.48Å; C1140-C1152 WeakPolarHBondContact SG-CB 1.93Å; C1140-C1152 CovalentContact SG-SG 2.4Å; C1140-C1152 PolarHBondContact SG-SG 3.17Å; Y1145-C1152 CarbonylContact O-C 3.54Å |
| 1153 | I | 65.8 | Low | 63.8 | Low | 12 Ų | 12 | 69.5 Ų | 69.5 | 6% | 0.062 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 137.9 | 0 | 55.3 | 167.5 | 0 | 0 | 0 | 109.3 | Q1144 Y1145 Q1155 M1157 D1164 D1170 | Q1144-I1153 CarbonylContact C-O 3.51Å; Q1144-I1153 WeakPolarHBondContact CA-O 3.15Å; Q1144-I1153 WeakPolarHBondContact CB-O 3.42Å; Y1145-I1153 WeakPolarHBondContact CA-O 2.85Å; Y1145-I1153 HydrophobicContact CD1-CD1 3.87Å; Y1145-I1153 HydrophobicContact CD1-CG1 3.93Å; Y1145-I1153 PolarHBondContact N-O 2.99Å; Y1145-I1153 WeakPolarHBondContact O-CG1 3.13Å; Y1145-I1153 PolarHBondContact O-N 2.67Å; Y1145-I1153 VanDerWaalsContact O-O 3.07Å; I1153-Q1155 PolarHBondContact O-N 3.47Å; I1153-M1157 HydrophobicContact CB-CB 3.61Å; I1153-M1157 HydrophobicContact CB-CE 4.07Å; I1153-M1157 HydrophobicContact CB-CG 4.38Å; I1153-M1157 HydrophobicContact CD1-CB 3.7Å; I1153-M1157 WeakPolarHBondContact CD1-O 3.46Å; I1153-M1157 HydrophobicContact CG1-CB 4.03Å; I1153-M1157 HydrophobicContact CG2-CE 4Å; I1153-D1164 HydrophobicContact CG2-CB 4.1Å; I1153-D1170 HydrophobicContact CD1-CB 3.31Å | |
| 1154 | E | 66.2 | Low | 64.3 | Low | 91 Ų | 91 | 70.6 Ų | 70.6 | 43% | 0.425 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -47.5 | 0 | 177.1 | -86.3 | -158.3 | -172 | 0 | 0 | 111.2 | G1143 Q1144 Q1156 M1157 | G1143-E1154 CarbonylContact O-C 3.46Å; Q1144-E1154 HydrophobicContact CG-CB 4.44Å; Q1144-E1154 HydrophobicContact CG-CG 3.92Å; E1154-Q1156 HydrophobicContact CB-CG 3.48Å; E1154-Q1156 VanDerWaalsContact CB-CG 3.48Å; E1154-Q1156 CarbonylContact O-C 3.37Å; E1154-Q1156 PolarHBondContact O-N 2.97Å; E1154-Q1156 WeakPolarHBondContact OE2-CG 3.16Å; E1154-Q1156 CovalentContact OE2-NE2 1.77Å; E1154-Q1156 PolarHBondContact OE2-NE2 3.39Å; E1154-M1157 HydrophobicContact CB-CG 4.19Å; E1154-M1157 VanDerWaalsContact O-CA 3.26Å; E1154-M1157 WeakPolarHBondContact O-CA 3.4Å; E1154-M1157 VanDerWaalsContact O-CB 3.22Å; E1154-M1157 WeakPolarHBondContact O-CB 2.99Å; E1154-M1157 PolarHBondContact O-N 2.96Å |
| 1155 | Q | 65.3 | Low | 64.7 | Low | 125 Ų | 125 | 68.7 Ų | 68.7 | 58% | 0.584 | 36% | 0.36 | S | S | * | . | G | 310 helix | 0 | 0 | 0 | -120.4 | 163.5 | 32.1 | 0 | 0 | 111.6 | G1143 I1153 M1157 R1158 | G1143-Q1155 VanDerWaalsContact CA-CD 3.48Å; G1143-Q1155 WeakPolarHBondContact O-CA 2.58Å; G1143-Q1155 WeakPolarHBondContact O-CB 3.28Å; G1143-Q1155 PolarHBondContact O-N 3.21Å; I1153-Q1155 PolarHBondContact O-N 3.47Å; Q1155-M1157 PolarHBondContact O-N 2.45Å; Q1155-R1158 PolarHBondContact O-N 3.4Å | |
| 1156 | Q | 65.6 | Low | 65 | Low | 137 Ų | 137 | 77 Ų | 77 | 64% | 0.64 | 39% | 0.391 | S | S | * | . | G | 310 helix | 0 | -11 | 0 | 40.4 | -177.2 | -12.5 | 0 | 0 | 111.5 | E1154 D1160 | E1154-Q1156 HydrophobicContact CB-CG 3.48Å; E1154-Q1156 VanDerWaalsContact CB-CG 3.48Å; E1154-Q1156 CarbonylContact O-C 3.37Å; E1154-Q1156 PolarHBondContact O-N 2.97Å; E1154-Q1156 WeakPolarHBondContact OE2-CG 3.16Å; E1154-Q1156 CovalentContact OE2-NE2 1.77Å; E1154-Q1156 PolarHBondContact OE2-NE2 3.39Å; Q1156-D1160 WeakPolarHBondContact O-CB 3.25Å | |
| 1157 | M | 66.8 | Low | 64.7 | Low | 60 Ų | 60 | 79.1 Ų | 79.1 | 30% | 0.296 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -100.7 | 0 | -175.3 | -66 | -120.2 | -81.5 | 0 | 0 | 109.3 | I1153 E1154 Q1155 D1160 D1164 | I1153-M1157 HydrophobicContact CB-CB 3.61Å; I1153-M1157 HydrophobicContact CB-CE 4.07Å; I1153-M1157 HydrophobicContact CB-CG 4.38Å; I1153-M1157 HydrophobicContact CD1-CB 3.7Å; I1153-M1157 WeakPolarHBondContact CD1-O 3.46Å; I1153-M1157 HydrophobicContact CG1-CB 4.03Å; I1153-M1157 HydrophobicContact CG2-CE 4Å; E1154-M1157 HydrophobicContact CB-CG 4.19Å; E1154-M1157 VanDerWaalsContact O-CA 3.26Å; E1154-M1157 WeakPolarHBondContact O-CA 3.4Å; E1154-M1157 VanDerWaalsContact O-CB 3.22Å; E1154-M1157 WeakPolarHBondContact O-CB 2.99Å; E1154-M1157 PolarHBondContact O-N 2.96Å; Q1155-M1157 PolarHBondContact O-N 2.45Å; M1157-D1160 VanDerWaalsContact CA-OD2 3.31Å; M1157-D1160 WeakPolarHBondContact CA-OD2 3.19Å; M1157-D1160 VanDerWaalsContact O-OD1 3.13Å; M1157-D1164 HydrophobicContact CE-CB 4.42Å |
| 1158 | R | 53.7 | Low | 64.4 | Low | 106 Ų | 106 | 80.1 Ų | 80.1 | 40% | 0.4 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -172.2 | 178.3 | -175.1 | -127.2 | 1.1 | 110.2 | Y1145 Q1155 | Y1145-R1158 HydrophobicContact CD1-CB 3.93Å; Y1145-R1158 HydrophobicContact CD1-CG 3.83Å; Y1145-R1158 HydrophobicContact CD2-CB 4.37Å; Y1145-R1158 HydrophobicContact CD2-CG 3.94Å; Y1145-R1158 VanDerWaalsContact CD2-NE 3.3Å; Y1145-R1158 HydrophobicContact CE1-CG 4.07Å; Y1145-R1158 HydrophobicContact CE2-CG 4.18Å; Y1145-R1158 HydrophobicContact CG-CB 3.77Å; Y1145-R1158 HydrophobicContact CG-CG 3.76Å; Q1155-R1158 PolarHBondContact O-N 3.4Å | |
| 1159 | C | 70.1 | Confident | 64.6 | Low | 27 Ų | 27 | 76.4 Ų | 76.4 | 18% | 0.182 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -65.6 | 0 | 0 | 0 | 0 | 110.4 | D1170 C1174 R1177 | C1159-D1170 PolarHBondContact N-O 2.63Å; C1159-C1174 HydrophobicContact CB-CB 3.48Å; C1159-C1174 VanDerWaalsContact CB-CB 3.48Å; C1159-C1174 VanDerWaalsContact CB-SG 3.51Å; C1159-C1174 WeakPolarHBondContact SG-CA 3.19Å; C1159-C1174 CovalentContact SG-CB 2.1Å; C1159-C1174 WeakPolarHBondContact SG-CB 3.23Å; C1159-C1174 CovalentContact SG-SG 1.96Å; C1159-C1174 PolarHBondContact SG-SG 3.08Å; C1159-R1177 HydrophobicContact CB-CG 4.24Å; C1159-R1177 WeakPolarHBondContact O-CD 3.46Å; C1159-R1177 WeakPolarHBondContact O-CG 3.35Å; C1159-R1177 VanDerWaalsContact O-CZ 3.28Å; C1159-R1177 PolarHBondContact O-NE 3.31Å; C1159-R1177 PolarHBondContact O-NH2 3.47Å | |
| 1160 | D | 60.6 | Low | 65 | Low | 44 Ų | 44 | 74 Ų | 74 | 24% | 0.235 | 37% | 0.37 | C | S | . | . | S | Bend | 0 | 0 | 0 | 63.4 | -11.9 | 0 | 0 | 0 | 110.1 | Q1156 M1157 R1162 D1164 E1171 R1177 | Q1156-D1160 WeakPolarHBondContact O-CB 3.25Å; M1157-D1160 VanDerWaalsContact CA-OD2 3.31Å; M1157-D1160 WeakPolarHBondContact CA-OD2 3.19Å; M1157-D1160 VanDerWaalsContact O-OD1 3.13Å; D1160-R1162 PolarHBondContact O-N 2.34Å; D1160-R1162 PolarHBondContact OD1-N 3.27Å; D1160-R1162 IonicContact OD2-NE 3.9Å; D1160-D1164 VanDerWaalsContact CG-OD2 3.31Å; D1160-E1171 PolarHBondContact N-OE1 2.51Å; D1160-R1177 VanDerWaalsContact CA-NH2 3.34Å | |
| 1161 | G | 64.2 | Low | 65.4 | Low | 45 Ų | 45 | 74.3 Ų | 74.3 | 46% | 0.464 | 36% | 0.359 | S | S | . | . | S | Bend | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1171 R1177 | G1161-E1171 PolarHBondContact N-OE1 1.83Å; G1161-R1177 CovalentContact N-NH2 1.66Å | |
| 1162 | R | 62 | Low | 65.3 | Low | 160 Ų | 160 | 73.5 Ų | 73.5 | 60% | 0.604 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -124 | 123 | 174.9 | -54.8 | -168.2 | -78.8 | -148.5 | 1.9 | 109.1 | D1160 D1164 E1171 | D1160-R1162 PolarHBondContact O-N 2.34Å; D1160-R1162 PolarHBondContact OD1-N 3.27Å; D1160-R1162 IonicContact OD2-NE 3.9Å; R1162-D1164 WeakPolarHBondContact CB-OD1 3.26Å; R1162-D1164 PolarHBondContact O-N 2.97Å; R1162-E1171 PolarHBondContact N-OE1 2.6Å |
| 1163 | Q | 67.3 | Low | 64.7 | Low | 132 Ų | 132 | 74.9 Ų | 74.9 | 62% | 0.617 | 38% | 0.383 | S | S | * | . | trans | -59.1 | 83.2 | 171.8 | -153 | -179.2 | 7.5 | 0 | 0 | 111.2 | C1165 A1168 | Q1163-C1165 WeakPolarHBondContact CG-O 3.18Å; Q1163-A1168 VanDerWaalsContact CD-CB 3.43Å; Q1163-A1168 VanDerWaalsContact CG-CA 3.5Å; Q1163-A1168 HydrophobicContact CG-CB 3.44Å; Q1163-A1168 VanDerWaalsContact CG-CB 3.44Å | ||
| 1164 | D | 62 | Low | 64.2 | Low | 50 Ų | 50 | 75.9 Ų | 75.9 | 27% | 0.267 | 39% | 0.391 | S | S | . | . | trans | -89.4 | 0 | -177.4 | -65.1 | -46.7 | 0 | 0 | 0 | 110.3 | I1153 M1157 D1160 R1162 D1170 | I1153-D1164 HydrophobicContact CG2-CB 4.1Å; M1157-D1164 HydrophobicContact CE-CB 4.42Å; D1160-D1164 VanDerWaalsContact CG-OD2 3.31Å; R1162-D1164 WeakPolarHBondContact CB-OD1 3.26Å; R1162-D1164 PolarHBondContact O-N 2.97Å; D1164-D1170 WeakPolarHBondContact CA-OD2 3.21Å; D1164-D1170 WeakPolarHBondContact CB-OD2 2.95Å; D1164-D1170 PolarHBondContact N-OD2 2.77Å | ||
| 1165 | C | 71.7 | Confident | 63.3 | Low | 2 Ų | 2 | 76.2 Ų | 76.2 | 1% | 0.014 | 40% | 0.401 | C | S | . | . | S | Bend | 0 | 132.1 | 0 | -135.3 | 0 | 0 | 0 | 0 | 109.9 | C1147 S1149 Q1163 D1167 A1168 D1170 | C1147-C1165 WeakPolarHBondContact CA-SG 3.43Å; C1147-C1165 HydrophobicContact CB-CB 3.37Å; C1147-C1165 CovalentContact CB-SG 1.64Å; C1147-C1165 WeakPolarHBondContact CB-SG 3.37Å; C1147-C1165 WeakPolarHBondContact SG-CA 3.41Å; C1147-C1165 WeakPolarHBondContact SG-CB 3.35Å; C1147-C1165 CovalentContact SG-SG 1.59Å; C1147-C1165 PolarHBondContact SG-SG 2.47Å; S1149-C1165 PolarHBondContact OG-SG 3.28Å; S1149-C1165 VanDerWaalsContact OG-SG 3.38Å; Q1163-C1165 WeakPolarHBondContact CG-O 3.18Å; C1165-D1167 PolarHBondContact O-N 3.3Å; C1165-D1167 VanDerWaalsContact O-N 3.09Å; C1165-A1168 WeakPolarHBondContact O-CA 3.45Å; C1165-A1168 PolarHBondContact O-N 3.3Å; C1165-D1170 HydrophobicContact CB-CB 3.89Å | |
| 1166 | R | 71.8 | Confident | 62.5 | Low | 224 Ų | 224 | 73.9 Ų | 73.9 | 85% | 0.845 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 0 | -177.8 | -135 | 175.9 | 162.6 | 167.6 | 1.4 | 111 | ||
| 1167 | D | 63.2 | Low | 61.8 | Low | 103 Ų | 103 | 72 Ų | 72 | 55% | 0.551 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 18.5 | 0 | -155.3 | 1.6 | 0 | 0 | 0 | 109.9 | C1165 S1169 | C1165-D1167 PolarHBondContact O-N 3.3Å; C1165-D1167 VanDerWaalsContact O-N 3.09Å; D1167-S1169 PolarHBondContact O-N 2.92Å | |
| 1168 | A | 62.2 | Low | 61 | Low | 25 Ų | 25 | 70.2 Ų | 70.2 | 21% | 0.207 | 38% | 0.377 | C | S | . | . | S | Bend | trans | 51.2 | 21.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q1163 C1165 D1170 E1171 T1172 | Q1163-A1168 VanDerWaalsContact CD-CB 3.43Å; Q1163-A1168 VanDerWaalsContact CG-CA 3.5Å; Q1163-A1168 HydrophobicContact CG-CB 3.44Å; Q1163-A1168 VanDerWaalsContact CG-CB 3.44Å; C1165-A1168 WeakPolarHBondContact O-CA 3.45Å; C1165-A1168 PolarHBondContact O-N 3.3Å; A1168-D1170 PolarHBondContact O-N 2.45Å; A1168-E1171 PolarHBondContact O-N 2.62Å; A1168-E1171 VanDerWaalsContact O-N 3.13Å; A1168-T1172 WeakPolarHBondContact O-CG2 3.19Å |
| 1169 | S | 68.1 | Low | 60.8 | Low | 8 Ų | 8 | 74 Ų | 74 | 6% | 0.056 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -71.5 | 0 | -178.4 | -56.2 | 0 | 0 | 0 | 0 | 111.1 | S1148 D1167 E1171 T1172 | S1148-S1169 VanDerWaalsContact CB-CB 3.47Å; S1148-S1169 WeakPolarHBondContact CB-OG 3.44Å; S1148-S1169 WeakPolarHBondContact OG-CB 3.36Å; S1148-S1169 PolarHBondContact OG-OG 1.43Å; D1167-S1169 PolarHBondContact O-N 2.92Å; S1169-E1171 PolarHBondContact O-N 3.28Å; S1169-T1172 PolarHBondContact O-N 3.08Å; S1169-T1172 VanDerWaalsContact O-N 3.13Å; S1169-T1172 PolarHBondContact O-OG1 2.99Å |
| 1170 | D | 67.9 | Low | 59.7 | Low | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 43% | 0.427 | C | S | . | . | G | 310 helix | 0 | 0 | 0 | 73.5 | -31 | 0 | 0 | 0 | 111.1 | Y1145 I1153 C1159 D1164 C1165 A1168 | Y1145-D1170 HydrophobicContact CD1-CB 4.43Å; Y1145-D1170 HydrophobicContact CE1-CB 4.23Å; I1153-D1170 HydrophobicContact CD1-CB 3.31Å; C1159-D1170 PolarHBondContact N-O 2.63Å; D1164-D1170 WeakPolarHBondContact CA-OD2 3.21Å; D1164-D1170 WeakPolarHBondContact CB-OD2 2.95Å; D1164-D1170 PolarHBondContact N-OD2 2.77Å; C1165-D1170 HydrophobicContact CB-CB 3.89Å; A1168-D1170 PolarHBondContact O-N 2.45Å | |
| 1171 | E | 69.5 | Low | 59.4 | Low | 56 Ų | 56 | 78.7 Ų | 78.7 | 26% | 0.262 | 43% | 0.428 | S | S | . | . | G | 310 helix | 0 | 0 | 0 | -61.2 | -77.7 | 161.1 | 0 | 0 | 109.6 | D1160 G1161 R1162 A1168 S1169 R1177 | D1160-E1171 PolarHBondContact N-OE1 2.51Å; G1161-E1171 PolarHBondContact N-OE1 1.83Å; R1162-E1171 PolarHBondContact N-OE1 2.6Å; A1168-E1171 PolarHBondContact O-N 2.62Å; A1168-E1171 VanDerWaalsContact O-N 3.13Å; S1169-E1171 PolarHBondContact O-N 3.28Å; E1171-R1177 IonicContact OE1-CZ 3.63Å; E1171-R1177 IonicContact OE1-NH2 3.33Å; E1171-R1177 PolarHBondContact OE1-NH2 3.16Å; E1171-R1177 IonicContact OE2-CZ 3.02Å; E1171-R1177 IonicContact OE2-NE 2.68Å; E1171-R1177 IonicContact OE2-NH1 2.62Å; E1171-R1177 PolarHBondContact OE2-NH1 3.36Å; E1171-R1177 IonicContact OE2-NH2 3.29Å; E1171-R1177 PolarHBondContact OE2-NH2 3.17Å | |
| 1172 | T | 60.9 | Low | 59.3 | Low | 88 Ų | 88 | 79 Ų | 79 | 54% | 0.54 | 42% | 0.418 | S | S | . | . | S | Bend | 0 | 0 | 0 | 55.2 | 0 | 0 | 0 | 0 | 108.8 | A1168 S1169 | A1168-T1172 WeakPolarHBondContact O-CG2 3.19Å; S1169-T1172 PolarHBondContact O-N 3.08Å; S1169-T1172 VanDerWaalsContact O-N 3.13Å; S1169-T1172 PolarHBondContact O-OG1 2.99Å | |
| 1173 | G | 53.6 | Low | 59.3 | Low | 77 Ų | 77 | 73.9 Ų | 73.9 | 79% | 0.794 | 40% | 0.399 | S | S | * | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.7 | P1175 | G1173-P1175 WeakPolarHBondContact O-CD 3.47Š| |
| 1174 | C | 55.7 | Low | 59.4 | Low | 34 Ų | 34 | 70.6 Ų | 70.6 | 23% | 0.23 | 38% | 0.383 | C | S | . | . | 0 | 110.8 | 0 | -65.7 | 0 | 0 | 0 | 0 | 109.5 | C1159 | C1159-C1174 HydrophobicContact CB-CB 3.48Å; C1159-C1174 VanDerWaalsContact CB-CB 3.48Å; C1159-C1174 VanDerWaalsContact CB-SG 3.51Å; C1159-C1174 WeakPolarHBondContact SG-CA 3.19Å; C1159-C1174 CovalentContact SG-CB 2.1Å; C1159-C1174 WeakPolarHBondContact SG-CB 3.23Å; C1159-C1174 CovalentContact SG-SG 1.96Å; C1159-C1174 PolarHBondContact SG-SG 3.08Å | |||
| 1175 | P | 47.7 | Very low | 59.6 | Low | 98 Ų | 98 | 68.4 Ų | 68.4 | 64% | 0.636 | 37% | 0.372 | S | S | * | . | trans | -58.7 | 0 | 175.5 | 1.6 | 1.8 | 0 | 0 | 0 | 111.7 | G1173 R1177 | G1173-P1175 WeakPolarHBondContact O-CD 3.47Å; P1175-R1177 PolarHBondContact O-N 3.38Å; P1175-R1177 VanDerWaalsContact O-N 3.12Å | ||
| 1176 | P | 47.6 | Very low | 59.3 | Low | 75 Ų | 75 | 72.3 Ų | 72.3 | 49% | 0.487 | 40% | 0.399 | S | S | . | . | 0 | 0 | 0 | 8.2 | 4.4 | 0 | 0 | 0 | 111.9 | C1178 Q1184 | P1176-C1178 VanDerWaalsContact C-N 3.29Å; P1176-C1178 PolarHBondContact O-N 3.5Å; P1176-Q1184 HydrophobicContact CB-CB 4.37Å; P1176-Q1184 HydrophobicContact CB-CG 3.6Å; P1176-Q1184 CovalentContact CB-OE1 1.74Å; P1176-Q1184 VanDerWaalsContact CG-NE2 3.35Å; P1176-Q1184 PolarHBondContact O-OE1 2.61Å | |||
| 1177 | R | 50.9 | Low | 58.6 | Low | 98 Ų | 98 | 64.1 Ų | 64.1 | 37% | 0.37 | 38% | 0.376 | S | S | . | . | 0 | 58.3 | 0 | -80.7 | -169.9 | 166.6 | 160.9 | -4.3 | 111.7 | C1159 D1160 G1161 E1171 P1175 C1190 | C1159-R1177 HydrophobicContact CB-CG 4.24Å; C1159-R1177 WeakPolarHBondContact O-CD 3.46Å; C1159-R1177 WeakPolarHBondContact O-CG 3.35Å; C1159-R1177 VanDerWaalsContact O-CZ 3.28Å; C1159-R1177 PolarHBondContact O-NE 3.31Å; C1159-R1177 PolarHBondContact O-NH2 3.47Å; D1160-R1177 VanDerWaalsContact CA-NH2 3.34Å; G1161-R1177 CovalentContact N-NH2 1.66Å; E1171-R1177 IonicContact OE1-CZ 3.63Å; E1171-R1177 IonicContact OE1-NH2 3.33Å; E1171-R1177 PolarHBondContact OE1-NH2 3.16Å; E1171-R1177 IonicContact OE2-CZ 3.02Å; E1171-R1177 IonicContact OE2-NE 2.68Å; E1171-R1177 IonicContact OE2-NH1 2.62Å; E1171-R1177 PolarHBondContact OE2-NH1 3.36Å; E1171-R1177 IonicContact OE2-NH2 3.29Å; E1171-R1177 PolarHBondContact OE2-NH2 3.17Å; P1175-R1177 PolarHBondContact O-N 3.38Å; P1175-R1177 VanDerWaalsContact O-N 3.12Å; R1177-C1190 WeakPolarHBondContact O-CB 2.7Å; R1177-C1190 CovalentContact O-SG 1.58Å; R1177-C1190 PolarHBondContact O-SG 2.16Å | |||
| 1178 | C | 50.2 | Low | 58.5 | Low | 22 Ų | 22 | 61.6 Ų | 61.6 | 15% | 0.149 | 37% | 0.374 | C | S | . | . | trans | -134.4 | 0 | 156.2 | -66.2 | 0 | 0 | 0 | 0 | 109.2 | P1176 Q1182 Q1184 C1190 | P1176-C1178 VanDerWaalsContact C-N 3.29Å; P1176-C1178 PolarHBondContact O-N 3.5Å; C1178-Q1182 HydrophobicContact CB-CB 3.75Å; C1178-Q1182 WeakPolarHBondContact CB-O 3.13Å; C1178-Q1184 HydrophobicContact CB-CB 4Å; C1178-Q1184 WeakPolarHBondContact SG-CA 3.27Å; C1178-Q1184 WeakPolarHBondContact SG-CB 3.12Å; C1178-Q1184 PolarHBondContact SG-N 3.42Å; C1178-C1190 WeakPolarHBondContact CA-SG 3.25Å; C1178-C1190 HydrophobicContact CB-CB 3.35Å; C1178-C1190 WeakPolarHBondContact CB-SG 3.21Å; C1178-C1190 PolarHBondContact N-SG 2.32Å; C1178-C1190 VanDerWaalsContact N-SG 3.38Å; C1178-C1190 WeakPolarHBondContact SG-CA 3.12Å; C1178-C1190 WeakPolarHBondContact SG-CB 3.48Å; C1178-C1190 CovalentContact SG-SG 1.93Å; C1178-C1190 PolarHBondContact SG-SG 3.43Å | ||
| 1179 | R | 50 | Low | 58.4 | Low | 186 Ų | 186 | 65.3 Ų | 65.3 | 70% | 0.702 | 39% | 0.388 | S | S | * | . | 0 | 0 | 0 | -66.7 | -173.6 | 167.8 | 90.4 | -2 | 111.7 | G1181 Q1182 | R1179-G1181 VanDerWaalsContact C-N 3.32Å; R1179-G1181 CarbonylContact O-C 3.34Å; R1179-G1181 PolarHBondContact O-N 3.11Å; R1179-Q1182 HydrophobicContact CB-CB 4.24Å; R1179-Q1182 HydrophobicContact CB-CG 3.96Å; R1179-Q1182 WeakPolarHBondContact O-CA 3.34Å; R1179-Q1182 WeakPolarHBondContact O-CB 2.86Å; R1179-Q1182 PolarHBondContact O-N 2.82Å | |||
| 1180 | P | 47.8 | Very low | 58.4 | Low | 145 Ų | 145 | 67.4 Ų | 67.4 | 94% | 0.942 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 88.6 | 0 | -2.9 | 11.7 | 0 | 0 | 0 | 111.8 | |||
| 1181 | G | 53.3 | Low | 58.1 | Low | 25 Ų | 25 | 68.1 Ų | 68.1 | 26% | 0.258 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 138.3 | -3.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111 | R1179 E1192 Q1193 | R1179-G1181 VanDerWaalsContact C-N 3.32Å; R1179-G1181 CarbonylContact O-C 3.34Å; R1179-G1181 PolarHBondContact O-N 3.11Å; G1181-E1192 CarbonylContact O-C 3.49Å; G1181-Q1193 WeakPolarHBondContact O-CA 3.49Å; G1181-Q1193 WeakPolarHBondContact O-CB 2.9Å; G1181-Q1193 PolarHBondContact O-N 2.8Å |
| 1182 | Q | 62.2 | Low | 57.9 | Low | 52 Ų | 52 | 69.8 Ų | 69.8 | 24% | 0.243 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 120.9 | 176.2 | -67.6 | -176.5 | -11.5 | 0 | 0 | 109 | C1178 R1179 I1191 E1192 Q1193 | C1178-Q1182 HydrophobicContact CB-CB 3.75Å; C1178-Q1182 WeakPolarHBondContact CB-O 3.13Å; R1179-Q1182 HydrophobicContact CB-CB 4.24Å; R1179-Q1182 HydrophobicContact CB-CG 3.96Å; R1179-Q1182 WeakPolarHBondContact O-CA 3.34Å; R1179-Q1182 WeakPolarHBondContact O-CB 2.86Å; R1179-Q1182 PolarHBondContact O-N 2.82Å; Q1182-I1191 CarbonylContact C-O 3.4Å; Q1182-I1191 WeakPolarHBondContact CA-O 3.33Å; Q1182-I1191 WeakPolarHBondContact CB-O 2.9Å; Q1182-E1192 HydrophobicContact CG-CG 4Å; Q1182-Q1193 VanDerWaalsContact CA-N 3.27Å |
| 1183 | Y | 61.7 | Low | 58.1 | Low | 52 Ų | 52 | 71.2 Ų | 71.2 | 20% | 0.204 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 127.7 | 176.3 | 173.2 | -101.7 | 0 | 0 | 0 | 110.7 | C1190 I1191 R1196 S1207 D1208 | Y1183-C1190 CarbonylContact O-C 3.45Å; Y1183-I1191 CarbonylContact C-O 3.48Å; Y1183-I1191 WeakPolarHBondContact CA-O 3.17Å; Y1183-I1191 HydrophobicContact CD1-CD1 3.81Å; Y1183-I1191 HydrophobicContact CD1-CG1 3.88Å; Y1183-I1191 HydrophobicContact CG-CG1 4.47Å; Y1183-I1191 PolarHBondContact N-O 3.24Å; Y1183-I1191 WeakPolarHBondContact O-CG1 3.3Å; Y1183-I1191 PolarHBondContact O-N 3.47Å; Y1183-I1191 VanDerWaalsContact O-O 3.04Å; Y1183-R1196 HydrophobicContact CD1-CB 4.21Å; Y1183-R1196 HydrophobicContact CD1-CG 4.07Å; Y1183-R1196 HydrophobicContact CD2-CB 4.39Å; Y1183-R1196 HydrophobicContact CD2-CG 3.89Å; Y1183-R1196 HydrophobicContact CE1-CG 4.38Å; Y1183-R1196 HydrophobicContact CE2-CG 4.21Å; Y1183-R1196 HydrophobicContact CG-CB 3.89Å; Y1183-R1196 HydrophobicContact CG-CG 3.81Å; Y1183-S1207 PolarHBondContact OH-O 2.75Å; Y1183-D1208 HydrophobicContact CD1-CB 4.22Å; Y1183-D1208 HydrophobicContact CE1-CB 4.04Å |
| 1184 | Q | 69.1 | Low | 58.7 | Low | 63 Ų | 63 | 73.9 Ų | 73.9 | 29% | 0.294 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 119.9 | 177.7 | -168.2 | 172.4 | 1.8 | 0 | 0 | 110.1 | P1176 C1178 | P1176-Q1184 HydrophobicContact CB-CB 4.37Å; P1176-Q1184 HydrophobicContact CB-CG 3.6Å; P1176-Q1184 CovalentContact CB-OE1 1.74Å; P1176-Q1184 VanDerWaalsContact CG-NE2 3.35Å; P1176-Q1184 PolarHBondContact O-OE1 2.61Å; C1178-Q1184 HydrophobicContact CB-CB 4Å; C1178-Q1184 WeakPolarHBondContact SG-CA 3.27Å; C1178-Q1184 WeakPolarHBondContact SG-CB 3.12Å; C1178-Q1184 PolarHBondContact SG-N 3.42Å |
| 1185 | C | 67.3 | Low | 59.1 | Low | 4 Ų | 4 | 74.9 Ų | 74.9 | 3% | 0.027 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 136.4 | 176.4 | -85.1 | 0 | 0 | 0 | 0 | 110.2 | S1187 G1188 E1189 C1203 | C1185-S1187 PolarHBondContact O-N 3.02Å; C1185-S1187 VanDerWaalsContact O-N 3.1Å; C1185-G1188 PolarHBondContact O-N 2.82Å; C1185-E1189 HydrophobicContact CB-CB 4.26Å; C1185-E1189 WeakPolarHBondContact CB-O 3.47Å; C1185-E1189 PolarHBondContact N-O 2.81Å; C1185-C1203 WeakPolarHBondContact CA-SG 2.92Å; C1185-C1203 HydrophobicContact CB-CB 3.25Å; C1185-C1203 CovalentContact CB-SG 1.47Å; C1185-C1203 WeakPolarHBondContact CB-SG 3.2Å; C1185-C1203 WeakPolarHBondContact SG-CA 3.23Å; C1185-C1203 WeakPolarHBondContact SG-CB 3.25Å; C1185-C1203 CovalentContact SG-SG 1.27Å; C1185-C1203 PolarHBondContact SG-SG 2.41Å |
| 1186 | S | 64.6 | Low | 59.5 | Low | 84 Ų | 84 | 75.4 Ų | 75.4 | 59% | 0.587 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | -22.5 | 175.6 | -20 | 0 | 0 | 0 | 0 | 111.5 | S1207 | S1186-S1207 WeakPolarHBondContact CB-OG 3.44Å; S1186-S1207 WeakPolarHBondContact OG-CB 3.35Å; S1186-S1207 PolarHBondContact OG-OG 2.79Å |
| 1187 | S | 57.2 | Low | 60.5 | Low | 51 Ų | 51 | 72.4 Ų | 72.4 | 36% | 0.357 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 2.7 | 177.9 | 63.2 | 0 | 0 | 0 | 0 | 111.2 | C1185 D1205 | C1185-S1187 PolarHBondContact O-N 3.02Å; C1185-S1187 VanDerWaalsContact O-N 3.1Å; S1187-D1205 VanDerWaalsContact CB-CB 3.49Å |
| 1188 | G | 61 | Low | 60.9 | Low | 50 Ų | 50 | 69.8 Ų | 69.8 | 52% | 0.515 | 37% | 0.37 | S | S | . | . | S | Bend | trans | 100.8 | 0 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | C1185 | C1185-G1188 PolarHBondContact O-N 2.82Š|
| 1189 | E | 60.9 | Low | 61.6 | Low | 104 Ų | 104 | 71.7 Ų | 71.7 | 49% | 0.486 | 39% | 0.394 | S | S | . | . | 0 | 141.6 | 0 | -50.3 | -112.1 | 169.4 | 0 | 0 | 110.1 | C1185 | C1185-E1189 HydrophobicContact CB-CB 4.26Å; C1185-E1189 WeakPolarHBondContact CB-O 3.47Å; C1185-E1189 PolarHBondContact N-O 2.81Å | |||
| 1190 | C | 66.9 | Low | 62 | Low | 52 Ų | 52 | 70.6 Ų | 70.6 | 35% | 0.351 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 0 | -175.2 | -65.9 | 0 | 0 | 0 | 0 | 110.2 | R1177 C1178 Y1183 | R1177-C1190 WeakPolarHBondContact O-CB 2.7Å; R1177-C1190 CovalentContact O-SG 1.58Å; R1177-C1190 PolarHBondContact O-SG 2.16Å; C1178-C1190 WeakPolarHBondContact CA-SG 3.25Å; C1178-C1190 HydrophobicContact CB-CB 3.35Å; C1178-C1190 WeakPolarHBondContact CB-SG 3.21Å; C1178-C1190 PolarHBondContact N-SG 2.32Å; C1178-C1190 VanDerWaalsContact N-SG 3.38Å; C1178-C1190 WeakPolarHBondContact SG-CA 3.12Å; C1178-C1190 WeakPolarHBondContact SG-CB 3.48Å; C1178-C1190 CovalentContact SG-SG 1.93Å; C1178-C1190 PolarHBondContact SG-SG 3.43Å; Y1183-C1190 CarbonylContact O-C 3.45Å |
| 1191 | I | 63 | Low | 62.8 | Low | 14 Ų | 14 | 70 Ų | 70 | 7% | 0.072 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 140.8 | 0 | 54 | 167.2 | 0 | 0 | 0 | 109.2 | Q1182 Y1183 Q1193 M1195 D1202 D1208 | Q1182-I1191 CarbonylContact C-O 3.4Å; Q1182-I1191 WeakPolarHBondContact CA-O 3.33Å; Q1182-I1191 WeakPolarHBondContact CB-O 2.9Å; Y1183-I1191 CarbonylContact C-O 3.48Å; Y1183-I1191 WeakPolarHBondContact CA-O 3.17Å; Y1183-I1191 HydrophobicContact CD1-CD1 3.81Å; Y1183-I1191 HydrophobicContact CD1-CG1 3.88Å; Y1183-I1191 HydrophobicContact CG-CG1 4.47Å; Y1183-I1191 PolarHBondContact N-O 3.24Å; Y1183-I1191 WeakPolarHBondContact O-CG1 3.3Å; Y1183-I1191 PolarHBondContact O-N 3.47Å; Y1183-I1191 VanDerWaalsContact O-O 3.04Å; I1191-Q1193 PolarHBondContact O-N 3.03Å; I1191-M1195 HydrophobicContact CB-CB 3.65Å; I1191-M1195 HydrophobicContact CB-CE 4.32Å; I1191-M1195 HydrophobicContact CB-CG 4.4Å; I1191-M1195 HydrophobicContact CD1-CB 3.77Å; I1191-M1195 WeakPolarHBondContact CD1-O 3.37Å; I1191-M1195 HydrophobicContact CG1-CB 4.08Å; I1191-M1195 HydrophobicContact CG2-CE 4.21Å; I1191-D1202 HydrophobicContact CD1-CB 4.31Å; I1191-D1202 HydrophobicContact CG2-CB 3.95Å; I1191-D1208 HydrophobicContact CD1-CB 3.18Å | |
| 1192 | E | 64.4 | Low | 63.1 | Low | 91 Ų | 91 | 71.1 Ų | 71.1 | 43% | 0.425 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.1 | 118.5 | 178.9 | -89.7 | -161 | -168.8 | 0 | 0 | 111.3 | G1181 Q1182 Q1194 M1195 | G1181-E1192 CarbonylContact O-C 3.49Å; Q1182-E1192 HydrophobicContact CG-CG 4Å; E1192-Q1194 HydrophobicContact CB-CG 3.55Å; E1192-Q1194 CarbonylContact O-C 3.46Å; E1192-Q1194 PolarHBondContact O-N 2.34Å; E1192-Q1194 WeakPolarHBondContact OE2-CG 2.38Å; E1192-Q1194 CovalentContact OE2-NE2 1.78Å; E1192-Q1194 PolarHBondContact OE2-NE2 2.13Å; E1192-M1195 VanDerWaalsContact C-N 3.31Å; E1192-M1195 HydrophobicContact CB-CG 3.98Å; E1192-M1195 WeakPolarHBondContact O-CA 2.91Å; E1192-M1195 WeakPolarHBondContact O-CB 3.02Å; E1192-M1195 PolarHBondContact O-N 1.59Å |
| 1193 | Q | 65.5 | Low | 63.4 | Low | 118 Ų | 118 | 68.8 Ų | 68.8 | 55% | 0.551 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -30.9 | -26.6 | -176 | -138.4 | 154.7 | 37.3 | 0 | 0 | 111.6 | G1181 Q1182 I1191 M1195 R1196 | G1181-Q1193 WeakPolarHBondContact O-CA 3.49Å; G1181-Q1193 WeakPolarHBondContact O-CB 2.9Å; G1181-Q1193 PolarHBondContact O-N 2.8Å; Q1182-Q1193 VanDerWaalsContact CA-N 3.27Å; I1191-Q1193 PolarHBondContact O-N 3.03Å; Q1193-M1195 PolarHBondContact O-N 1.96Å; Q1193-M1195 VanDerWaalsContact O-N 3.12Å; Q1193-R1196 WeakPolarHBondContact O-CB 2.69Å; Q1193-R1196 PolarHBondContact O-N 3.1Å; Q1193-R1196 VanDerWaalsContact O-N 3.11Å |
| 1194 | Q | 64.8 | Low | 63.8 | Low | 134 Ų | 134 | 76.7 Ų | 76.7 | 63% | 0.626 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -75 | -10 | 179.9 | 49.7 | -175.9 | -15.5 | 0 | 0 | 111.5 | E1192 D1198 | E1192-Q1194 HydrophobicContact CB-CG 3.55Å; E1192-Q1194 CarbonylContact O-C 3.46Å; E1192-Q1194 PolarHBondContact O-N 2.34Å; E1192-Q1194 WeakPolarHBondContact OE2-CG 2.38Å; E1192-Q1194 CovalentContact OE2-NE2 1.78Å; E1192-Q1194 PolarHBondContact OE2-NE2 2.13Å; Q1194-D1198 VanDerWaalsContact O-CB 3.29Å; Q1194-D1198 WeakPolarHBondContact O-CB 3.07Å |
| 1195 | M | 64.4 | Low | 63.4 | Low | 55 Ų | 55 | 78.7 Ų | 78.7 | 27% | 0.271 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -100.4 | -1.2 | -175.7 | -65.3 | -110.5 | -81.6 | 0 | 0 | 109.2 | I1191 E1192 Q1193 D1198 D1202 | I1191-M1195 HydrophobicContact CB-CB 3.65Å; I1191-M1195 HydrophobicContact CB-CE 4.32Å; I1191-M1195 HydrophobicContact CB-CG 4.4Å; I1191-M1195 HydrophobicContact CD1-CB 3.77Å; I1191-M1195 WeakPolarHBondContact CD1-O 3.37Å; I1191-M1195 HydrophobicContact CG1-CB 4.08Å; I1191-M1195 HydrophobicContact CG2-CE 4.21Å; E1192-M1195 VanDerWaalsContact C-N 3.31Å; E1192-M1195 HydrophobicContact CB-CG 3.98Å; E1192-M1195 WeakPolarHBondContact O-CA 2.91Å; E1192-M1195 WeakPolarHBondContact O-CB 3.02Å; E1192-M1195 PolarHBondContact O-N 1.59Å; Q1193-M1195 PolarHBondContact O-N 1.96Å; Q1193-M1195 VanDerWaalsContact O-N 3.12Å; M1195-D1198 VanDerWaalsContact CA-CG 3.49Å; M1195-D1198 VanDerWaalsContact CA-OD2 3.27Å; M1195-D1198 WeakPolarHBondContact CA-OD2 3.2Å; M1195-D1198 VanDerWaalsContact O-OD1 3.09Å; M1195-D1202 HydrophobicContact CE-CB 4.25Å |
| 1196 | R | 56.7 | Low | 63.1 | Low | 109 Ų | 109 | 79.7 Ų | 79.7 | 41% | 0.411 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 110.9 | 164.5 | -169.9 | -177.7 | 173.4 | -143.4 | 0.7 | 110.5 | Y1183 Q1193 R1215 | Y1183-R1196 HydrophobicContact CD1-CB 4.21Å; Y1183-R1196 HydrophobicContact CD1-CG 4.07Å; Y1183-R1196 HydrophobicContact CD2-CB 4.39Å; Y1183-R1196 HydrophobicContact CD2-CG 3.89Å; Y1183-R1196 HydrophobicContact CE1-CG 4.38Å; Y1183-R1196 HydrophobicContact CE2-CG 4.21Å; Y1183-R1196 HydrophobicContact CG-CB 3.89Å; Y1183-R1196 HydrophobicContact CG-CG 3.81Å; Q1193-R1196 WeakPolarHBondContact O-CB 2.69Å; Q1193-R1196 PolarHBondContact O-N 3.1Å; Q1193-R1196 VanDerWaalsContact O-N 3.11Å; R1196-R1215 PolarHBondContact O-NH2 3.47Å; R1196-R1215 VanDerWaalsContact O-NH2 3.1Å |
| 1197 | C | 68.5 | Low | 63.2 | Low | 12 Ų | 12 | 76 Ų | 76 | 8% | 0.081 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 0 | 179.7 | -64.6 | 0 | 0 | 0 | 0 | 110.8 | D1208 C1212 R1215 | C1197-D1208 PolarHBondContact N-O 3.11Å; C1197-C1212 HydrophobicContact CB-CB 3.4Å; C1197-C1212 VanDerWaalsContact CB-CB 3.4Å; C1197-C1212 WeakPolarHBondContact CB-SG 3.11Å; C1197-C1212 WeakPolarHBondContact SG-CA 2.18Å; C1197-C1212 CovalentContact SG-CB 1.95Å; C1197-C1212 WeakPolarHBondContact SG-CB 3.5Å; C1197-C1212 CovalentContact SG-SG 1.87Å; C1197-C1212 PolarHBondContact SG-SG 3.04Å; C1197-R1215 CovalentContact C-CZ 0.79Å; C1197-R1215 CovalentContact C-NH2 1.17Å; C1197-R1215 HydrophobicContact CB-CG 3.39Å; C1197-R1215 VanDerWaalsContact CB-NH2 3.27Å; C1197-R1215 WeakPolarHBondContact O-CD 2.78Å; C1197-R1215 WeakPolarHBondContact O-CG 3.39Å; C1197-R1215 PolarHBondContact O-NE 3.23Å; C1197-R1215 PolarHBondContact O-NH1 1.39Å; C1197-R1215 PolarHBondContact O-NH2 2.17Å |
| 1198 | D | 59.4 | Low | 63.6 | Low | 42 Ų | 42 | 73.6 Ų | 73.6 | 23% | 0.225 | 37% | 0.372 | C | S | . | . | S | Bend | 0 | 0 | 0 | 63 | -12.3 | 0 | 0 | 0 | 109 | Q1194 M1195 R1200 R1215 | Q1194-D1198 VanDerWaalsContact O-CB 3.29Å; Q1194-D1198 WeakPolarHBondContact O-CB 3.07Å; M1195-D1198 VanDerWaalsContact CA-CG 3.49Å; M1195-D1198 VanDerWaalsContact CA-OD2 3.27Å; M1195-D1198 WeakPolarHBondContact CA-OD2 3.2Å; M1195-D1198 VanDerWaalsContact O-OD1 3.09Å; D1198-R1200 VanDerWaalsContact C-N 3.26Å; D1198-R1200 PolarHBondContact O-N 3.12Å; D1198-R1200 PolarHBondContact OD1-N 2.4Å; D1198-R1200 IonicContact OD2-NE 1.53Å; D1198-R1215 CovalentContact N-CZ 1.35Å; D1198-R1215 CovalentContact N-NH2 0.74Å; D1198-R1215 PolarHBondContact O-NH1 3.23Å; D1198-R1215 IonicContact OD1-CZ 2.42Å; D1198-R1215 IonicContact OD1-NH2 2.58Å; D1198-R1215 PolarHBondContact OD1-NH2 3.45Å; D1198-R1215 VanDerWaalsContact OD1-NH2 3.17Å | |
| 1199 | G | 63.9 | Low | 63.9 | Low | 62 Ų | 62 | 74.4 Ų | 74.4 | 64% | 0.639 | 36% | 0.362 | S | S | * | . | S | Bend | 0 | 7.3 | 0 | 0 | 0 | 0 | 0 | 0 | 110.6 | E1209 R1215 | G1199-E1209 WeakPolarHBondContact CA-OE1 3.44Å; G1199-E1209 PolarHBondContact N-OE1 3.23Å; G1199-R1215 CovalentContact N-NH1 1.6Å | |
| 1200 | R | 60.4 | Low | 63.8 | Low | 163 Ų | 163 | 73.7 Ų | 73.7 | 62% | 0.615 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -126 | 122.1 | 173.6 | -53.7 | -170.8 | -94.7 | -157.7 | 1.3 | 109.3 | D1198 D1202 E1209 | D1198-R1200 VanDerWaalsContact C-N 3.26Å; D1198-R1200 PolarHBondContact O-N 3.12Å; D1198-R1200 PolarHBondContact OD1-N 2.4Å; D1198-R1200 IonicContact OD2-NE 1.53Å; R1200-D1202 WeakPolarHBondContact CB-OD1 3.45Å; R1200-D1202 PolarHBondContact O-N 3.39Å; R1200-E1209 PolarHBondContact N-OE1 1.43Å; R1200-E1209 VanDerWaalsContact N-OE1 3.07Å |
| 1201 | Q | 64.6 | Low | 63.1 | Low | 134 Ų | 134 | 74.9 Ų | 74.9 | 63% | 0.626 | 39% | 0.386 | S | S | * | . | trans | -58.4 | 82.8 | 172.1 | -156.2 | 179.9 | 12.6 | 0 | 0 | 111.3 | C1203 A1206 | Q1201-C1203 VanDerWaalsContact CG-O 3.23Å; Q1201-C1203 WeakPolarHBondContact CG-O 3.23Å; Q1201-A1206 VanDerWaalsContact CD-CB 3.49Å; Q1201-A1206 HydrophobicContact CG-CB 3.51Å | ||
| 1202 | D | 59.5 | Low | 62.7 | Low | 48 Ų | 48 | 76 Ų | 76 | 26% | 0.257 | 39% | 0.394 | S | S | . | . | trans | -87.8 | 0 | -177.5 | -65 | -47.5 | 0 | 0 | 0 | 110.2 | I1191 M1195 R1200 D1208 | I1191-D1202 HydrophobicContact CD1-CB 4.31Å; I1191-D1202 HydrophobicContact CG2-CB 3.95Å; M1195-D1202 HydrophobicContact CE-CB 4.25Å; R1200-D1202 WeakPolarHBondContact CB-OD1 3.45Å; R1200-D1202 PolarHBondContact O-N 3.39Å; D1202-D1208 WeakPolarHBondContact CA-OD2 2.92Å; D1202-D1208 WeakPolarHBondContact CB-OD2 3.17Å; D1202-D1208 PolarHBondContact N-OD2 2.72Å | ||
| 1203 | C | 67.6 | Low | 61.9 | Low | 2 Ų | 2 | 76 Ų | 76 | 1% | 0.014 | 40% | 0.403 | C | S | . | . | S | Bend | 0 | 132.5 | 0 | -128.4 | 0 | 0 | 0 | 0 | 109.4 | C1185 Q1201 D1205 A1206 D1208 | C1185-C1203 WeakPolarHBondContact CA-SG 2.92Å; C1185-C1203 HydrophobicContact CB-CB 3.25Å; C1185-C1203 CovalentContact CB-SG 1.47Å; C1185-C1203 WeakPolarHBondContact CB-SG 3.2Å; C1185-C1203 WeakPolarHBondContact SG-CA 3.23Å; C1185-C1203 WeakPolarHBondContact SG-CB 3.25Å; C1185-C1203 CovalentContact SG-SG 1.27Å; C1185-C1203 PolarHBondContact SG-SG 2.41Å; Q1201-C1203 VanDerWaalsContact CG-O 3.23Å; Q1201-C1203 WeakPolarHBondContact CG-O 3.23Å; C1203-D1205 PolarHBondContact O-N 3.03Å; C1203-D1205 VanDerWaalsContact O-N 3.1Å; C1203-A1206 WeakPolarHBondContact O-CA 2.96Å; C1203-A1206 PolarHBondContact O-N 3.42Å; C1203-D1208 HydrophobicContact CB-CB 3.87Å | |
| 1204 | R | 69.2 | Low | 61 | Low | 219 Ų | 219 | 74.1 Ų | 74.1 | 83% | 0.826 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 0 | -176.7 | -110.6 | 179 | 161.5 | 164.6 | 0.6 | 111.2 | ||
| 1205 | D | 62.4 | Low | 60.4 | Low | 104 Ų | 104 | 71.1 Ų | 71.1 | 56% | 0.556 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 22.7 | 0 | -151.3 | 2 | 0 | 0 | 0 | 109.8 | S1187 C1203 S1207 | S1187-D1205 VanDerWaalsContact CB-CB 3.49Å; C1203-D1205 PolarHBondContact O-N 3.03Å; C1203-D1205 VanDerWaalsContact O-N 3.1Å; D1205-S1207 PolarHBondContact O-N 3.04Å | |
| 1206 | A | 60.7 | Low | 59.8 | Low | 25 Ų | 25 | 69.6 Ų | 69.6 | 21% | 0.207 | 38% | 0.378 | C | S | . | . | S | Bend | trans | 47.7 | 23.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q1201 C1203 D1208 E1209 T1210 | Q1201-A1206 VanDerWaalsContact CD-CB 3.49Å; Q1201-A1206 HydrophobicContact CG-CB 3.51Å; C1203-A1206 WeakPolarHBondContact O-CA 2.96Å; C1203-A1206 PolarHBondContact O-N 3.42Å; A1206-D1208 PolarHBondContact O-N 2.83Å; A1206-E1209 PolarHBondContact O-N 3.07Å; A1206-E1209 VanDerWaalsContact O-N 3.14Å; A1206-T1210 WeakPolarHBondContact O-CG2 3.34Å |
| 1207 | S | 65.1 | Low | 59.5 | Low | 8 Ų | 8 | 73.3 Ų | 73.3 | 6% | 0.056 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -71.7 | 0 | -178.9 | -59.8 | 0 | 0 | 0 | 0 | 111.2 | Y1183 S1186 D1205 E1209 T1210 | Y1183-S1207 PolarHBondContact OH-O 2.75Å; S1186-S1207 WeakPolarHBondContact CB-OG 3.44Å; S1186-S1207 WeakPolarHBondContact OG-CB 3.35Å; S1186-S1207 PolarHBondContact OG-OG 2.79Å; D1205-S1207 PolarHBondContact O-N 3.04Å; S1207-E1209 PolarHBondContact O-N 3.02Å; S1207-T1210 PolarHBondContact O-N 3.34Å; S1207-T1210 PolarHBondContact O-OG1 2.87Å |
| 1208 | D | 66.2 | Low | 58.5 | Low | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 43% | 0.434 | C | S | . | . | G | 310 helix | 0 | 0 | 0 | 81.1 | -20.8 | 0 | 0 | 0 | 110.7 | Y1183 I1191 C1197 D1202 C1203 A1206 | Y1183-D1208 HydrophobicContact CD1-CB 4.22Å; Y1183-D1208 HydrophobicContact CE1-CB 4.04Å; I1191-D1208 HydrophobicContact CD1-CB 3.18Å; C1197-D1208 PolarHBondContact N-O 3.11Å; D1202-D1208 WeakPolarHBondContact CA-OD2 2.92Å; D1202-D1208 WeakPolarHBondContact CB-OD2 3.17Å; D1202-D1208 PolarHBondContact N-OD2 2.72Å; C1203-D1208 HydrophobicContact CB-CB 3.87Å; A1206-D1208 PolarHBondContact O-N 2.83Å | |
| 1209 | E | 66.9 | Low | 58.2 | Low | 67 Ų | 67 | 79.2 Ų | 79.2 | 31% | 0.313 | 44% | 0.438 | S | S | . | . | G | 310 helix | 0 | 0 | 0 | -61.8 | -83.7 | 164 | 0 | 0 | 109.5 | G1199 R1200 A1206 S1207 R1215 | G1199-E1209 WeakPolarHBondContact CA-OE1 3.44Å; G1199-E1209 PolarHBondContact N-OE1 3.23Å; R1200-E1209 PolarHBondContact N-OE1 1.43Å; R1200-E1209 VanDerWaalsContact N-OE1 3.07Å; A1206-E1209 PolarHBondContact O-N 3.07Å; A1206-E1209 VanDerWaalsContact O-N 3.14Å; S1207-E1209 PolarHBondContact O-N 3.02Å; E1209-R1215 IonicContact OE1-CZ 0.5Å; E1209-R1215 IonicContact OE1-NH1 3.37Å; E1209-R1215 PolarHBondContact OE1-NH1 3.4Å; E1209-R1215 IonicContact OE1-NH2 3.66Å; E1209-R1215 IonicContact OE2-NH1 3.37Å | |
| 1210 | T | 58.9 | Low | 58.3 | Low | 89 Ų | 89 | 78.6 Ų | 78.6 | 55% | 0.546 | 42% | 0.418 | S | S | . | . | S | Bend | 0 | 0 | 0 | 55.4 | 0 | 0 | 0 | 0 | 108.8 | A1206 S1207 | A1206-T1210 WeakPolarHBondContact O-CG2 3.34Å; S1207-T1210 PolarHBondContact O-N 3.34Å; S1207-T1210 PolarHBondContact O-OG1 2.87Å | |
| 1211 | G | 53.1 | Low | 58.5 | Low | 77 Ų | 77 | 73.1 Ų | 73.1 | 79% | 0.794 | 40% | 0.398 | S | S | * | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||
| 1212 | C | 55.3 | Low | 58.8 | Low | 36 Ų | 36 | 69.7 Ų | 69.7 | 24% | 0.243 | 38% | 0.382 | C | S | . | . | 0 | 116.1 | 0 | -68.7 | 0 | 0 | 0 | 0 | 109.5 | C1197 | C1197-C1212 HydrophobicContact CB-CB 3.4Å; C1197-C1212 VanDerWaalsContact CB-CB 3.4Å; C1197-C1212 WeakPolarHBondContact CB-SG 3.11Å; C1197-C1212 WeakPolarHBondContact SG-CA 2.18Å; C1197-C1212 CovalentContact SG-CB 1.95Å; C1197-C1212 WeakPolarHBondContact SG-CB 3.5Å; C1197-C1212 CovalentContact SG-SG 1.87Å; C1197-C1212 PolarHBondContact SG-SG 3.04Å | |||
| 1213 | P | 47.2 | Very low | 59.2 | Low | 92 Ų | 92 | 67.6 Ų | 67.6 | 60% | 0.597 | 37% | 0.371 | S | S | * | . | trans | -58.8 | 0 | 176 | 0.8 | 3.7 | 0 | 0 | 0 | 111.8 | R1215 | P1213-R1215 PolarHBondContact O-N 3.25Š| ||
| 1214 | P | 46.5 | Very low | 59 | Low | 78 Ų | 78 | 71.3 Ų | 71.3 | 51% | 0.506 | 40% | 0.397 | S | S | . | . | 0 | 0 | 0 | 9.3 | 3.7 | 0 | 0 | 0 | 112.1 | C1216 Q1222 | P1214-C1216 PolarHBondContact O-N 3.12Å; P1214-Q1222 HydrophobicContact CB-CB 3.62Å; P1214-Q1222 HydrophobicContact CB-CG 3.08Å; P1214-Q1222 CovalentContact CB-OE1 0.92Å; P1214-Q1222 HydrophobicContact CG-CG 4.38Å; P1214-Q1222 PolarHBondContact O-OE1 1.86Å | |||
| 1215 | R | 52 | Low | 58.5 | Low | 71 Ų | 71 | 63.2 Ų | 63.2 | 27% | 0.268 | 37% | 0.374 | S | S | . | . | 0 | 0 | 0 | -82.2 | -167 | 165.3 | 156.6 | 0.9 | 111.6 | R1196 C1197 D1198 G1199 E1209 P1213 C1228 | R1196-R1215 PolarHBondContact O-NH2 3.47Å; R1196-R1215 VanDerWaalsContact O-NH2 3.1Å; C1197-R1215 CovalentContact C-CZ 0.79Å; C1197-R1215 CovalentContact C-NH2 1.17Å; C1197-R1215 HydrophobicContact CB-CG 3.39Å; C1197-R1215 VanDerWaalsContact CB-NH2 3.27Å; C1197-R1215 WeakPolarHBondContact O-CD 2.78Å; C1197-R1215 WeakPolarHBondContact O-CG 3.39Å; C1197-R1215 PolarHBondContact O-NE 3.23Å; C1197-R1215 PolarHBondContact O-NH1 1.39Å; C1197-R1215 PolarHBondContact O-NH2 2.17Å; D1198-R1215 CovalentContact N-CZ 1.35Å; D1198-R1215 CovalentContact N-NH2 0.74Å; D1198-R1215 PolarHBondContact O-NH1 3.23Å; D1198-R1215 IonicContact OD1-CZ 2.42Å; D1198-R1215 IonicContact OD1-NH2 2.58Å; D1198-R1215 PolarHBondContact OD1-NH2 3.45Å; D1198-R1215 VanDerWaalsContact OD1-NH2 3.17Å; G1199-R1215 CovalentContact N-NH1 1.6Å; E1209-R1215 IonicContact OE1-CZ 0.5Å; E1209-R1215 IonicContact OE1-NH1 3.37Å; E1209-R1215 PolarHBondContact OE1-NH1 3.4Å; E1209-R1215 IonicContact OE1-NH2 3.66Å; E1209-R1215 IonicContact OE2-NH1 3.37Å; P1213-R1215 PolarHBondContact O-N 3.25Å; R1215-C1228 WeakPolarHBondContact O-CB 3.47Å; R1215-C1228 CovalentContact O-SG 1.5Å; R1215-C1228 PolarHBondContact O-SG 3.47Å | |||
| 1216 | C | 50.7 | Low | 58.4 | Low | 23 Ų | 23 | 60.5 Ų | 60.5 | 16% | 0.155 | 37% | 0.371 | C | S | . | . | 0 | 0 | 0 | -64 | 0 | 0 | 0 | 0 | 109.4 | P1214 Q1220 Y1221 Q1222 C1228 | P1214-C1216 PolarHBondContact O-N 3.12Å; C1216-Q1220 VanDerWaalsContact C-CB 3.45Å; C1216-Q1220 HydrophobicContact CB-CB 3.23Å; C1216-Q1220 WeakPolarHBondContact CB-O 2.4Å; C1216-Y1221 PolarHBondContact SG-O 1.4Å; C1216-Q1222 WeakPolarHBondContact SG-CA 3.27Å; C1216-Q1222 PolarHBondContact SG-N 3.17Å; C1216-Q1222 VanDerWaalsContact SG-N 3.37Å; C1216-C1228 WeakPolarHBondContact CA-SG 2.87Å; C1216-C1228 HydrophobicContact CB-CB 3.35Å; C1216-C1228 WeakPolarHBondContact CB-SG 3.36Å; C1216-C1228 PolarHBondContact N-SG 3.03Å; C1216-C1228 WeakPolarHBondContact SG-CA 3.21Å; C1216-C1228 CovalentContact SG-CB 2.21Å; C1216-C1228 WeakPolarHBondContact SG-CB 3.06Å; C1216-C1228 CovalentContact SG-SG 2.27Å; C1216-C1228 PolarHBondContact SG-SG 2.1Å | |||
| 1217 | R | 51.4 | Low | 58.5 | Low | 188 Ų | 188 | 64.5 Ų | 64.5 | 71% | 0.709 | 39% | 0.385 | S | S | * | . | 0 | 0 | 0 | -66.6 | -173.3 | 168.9 | 96.1 | -2.3 | 111.8 | G1219 Q1220 | R1217-G1219 CarbonylContact O-C 3.55Å; R1217-G1219 PolarHBondContact O-N 3.45Å; R1217-Q1220 HydrophobicContact CB-CB 4.16Å; R1217-Q1220 VanDerWaalsContact CB-CD 3.44Å; R1217-Q1220 HydrophobicContact CB-CG 3.78Å; R1217-Q1220 WeakPolarHBondContact O-CA 3.46Å; R1217-Q1220 WeakPolarHBondContact O-CB 2.38Å; R1217-Q1220 PolarHBondContact O-N 3.02Å | |||
| 1218 | P | 47.1 | Very low | 58.6 | Low | 148 Ų | 148 | 66.6 Ų | 66.6 | 96% | 0.961 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 90 | 0 | -3.4 | 12.2 | 0 | 0 | 0 | 111.7 | |||
| 1219 | G | 52.7 | Low | 58.6 | Low | 29 Ų | 29 | 67.4 Ų | 67.4 | 30% | 0.299 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 131.8 | 0 | -176 | 0 | 0 | 0 | 0 | 0 | 111.1 | R1217 E1230 Q1231 | R1217-G1219 CarbonylContact O-C 3.55Å; R1217-G1219 PolarHBondContact O-N 3.45Å; G1219-E1230 CarbonylContact O-C 3.53Å; G1219-E1230 WeakPolarHBondContact O-CA 2.03Å; G1219-Q1231 VanDerWaalsContact CA-OE1 3.26Å; G1219-Q1231 WeakPolarHBondContact O-CA 3.18Å; G1219-Q1231 WeakPolarHBondContact O-CB 3.21Å; G1219-Q1231 PolarHBondContact O-N 3.16Å |
| 1220 | Q | 66.5 | Low | 58.5 | Low | 49 Ų | 49 | 68.6 Ų | 68.6 | 23% | 0.229 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -68.2 | -176 | -8.8 | 0 | 0 | 108.9 | C1216 R1217 I1229 E1230 Q1231 | C1216-Q1220 VanDerWaalsContact C-CB 3.45Å; C1216-Q1220 HydrophobicContact CB-CB 3.23Å; C1216-Q1220 WeakPolarHBondContact CB-O 2.4Å; R1217-Q1220 HydrophobicContact CB-CB 4.16Å; R1217-Q1220 VanDerWaalsContact CB-CD 3.44Å; R1217-Q1220 HydrophobicContact CB-CG 3.78Å; R1217-Q1220 WeakPolarHBondContact O-CA 3.46Å; R1217-Q1220 WeakPolarHBondContact O-CB 2.38Å; R1217-Q1220 PolarHBondContact O-N 3.02Å; Q1220-I1229 CarbonylContact C-O 3.51Å; Q1220-I1229 WeakPolarHBondContact CA-O 3.17Å; Q1220-I1229 VanDerWaalsContact CB-O 3.29Å; Q1220-I1229 WeakPolarHBondContact CB-O 2.87Å; Q1220-E1230 HydrophobicContact CG-CG 4.19Å; Q1220-Q1231 VanDerWaalsContact CA-N 3.34Å | |
| 1221 | Y | 64.9 | Low | 58.9 | Low | 49 Ų | 49 | 70.2 Ų | 70.2 | 19% | 0.192 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 131.9 | 0 | 173.7 | -101.5 | 0 | 0 | 0 | 110.6 | C1216 C1228 I1229 R1234 S1245 D1246 | C1216-Y1221 PolarHBondContact SG-O 1.4Å; Y1221-C1228 CarbonylContact O-C 3.58Å; Y1221-I1229 WeakPolarHBondContact CA-O 3.17Å; Y1221-I1229 HydrophobicContact CD1-CD1 3.83Å; Y1221-I1229 HydrophobicContact CD1-CG1 3.91Å; Y1221-I1229 HydrophobicContact CG-CG1 4.47Å; Y1221-I1229 PolarHBondContact N-O 3.49Å; Y1221-I1229 WeakPolarHBondContact O-CG1 3.37Å; Y1221-I1229 PolarHBondContact O-N 3.24Å; Y1221-I1229 VanDerWaalsContact O-O 3.09Å; Y1221-R1234 HydrophobicContact CD1-CB 4.1Å; Y1221-R1234 HydrophobicContact CD1-CG 3.63Å; Y1221-R1234 HydrophobicContact CD2-CB 4.29Å; Y1221-R1234 HydrophobicContact CD2-CG 3.58Å; Y1221-R1234 HydrophobicContact CE1-CG 3.89Å; Y1221-R1234 HydrophobicContact CE2-CG 3.84Å; Y1221-R1234 HydrophobicContact CG-CB 3.82Å; Y1221-R1234 HydrophobicContact CG-CG 3.47Å; Y1221-R1234 VanDerWaalsContact CG-CG 3.47Å; Y1221-S1245 PolarHBondContact OH-O 3.04Å; Y1221-D1246 HydrophobicContact CD1-CB 4.12Å; Y1221-D1246 VanDerWaalsContact CE1-CA 3.44Å; Y1221-D1246 HydrophobicContact CE1-CB 3.97Å | |
| 1222 | Q | 70.4 | Confident | 59.5 | Low | 62 Ų | 62 | 73.1 Ų | 73.1 | 29% | 0.29 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 120.5 | 178.3 | -168.8 | 173.4 | -3.2 | 0 | 0 | 110 | P1214 C1216 | P1214-Q1222 HydrophobicContact CB-CB 3.62Å; P1214-Q1222 HydrophobicContact CB-CG 3.08Å; P1214-Q1222 CovalentContact CB-OE1 0.92Å; P1214-Q1222 HydrophobicContact CG-CG 4.38Å; P1214-Q1222 PolarHBondContact O-OE1 1.86Å; C1216-Q1222 WeakPolarHBondContact SG-CA 3.27Å; C1216-Q1222 PolarHBondContact SG-N 3.17Å; C1216-Q1222 VanDerWaalsContact SG-N 3.37Å |
| 1223 | C | 68.6 | Low | 59.9 | Low | 3 Ų | 3 | 74.4 Ų | 74.4 | 2% | 0.02 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 136.9 | 174.2 | -80.1 | 0 | 0 | 0 | 0 | 110.7 | S1225 G1226 E1227 C1241 | C1223-S1225 PolarHBondContact O-N 2.58Å; C1223-S1225 VanDerWaalsContact O-N 3.17Å; C1223-G1226 PolarHBondContact O-N 2.83Å; C1223-E1227 HydrophobicContact CB-CB 4.24Å; C1223-E1227 VanDerWaalsContact CB-O 3.29Å; C1223-E1227 WeakPolarHBondContact CB-O 2.1Å; C1223-E1227 PolarHBondContact N-O 3.03Å; C1223-C1241 WeakPolarHBondContact CA-SG 2.96Å; C1223-C1241 HydrophobicContact CB-CB 3.07Å; C1223-C1241 CovalentContact CB-SG 1.66Å; C1223-C1241 WeakPolarHBondContact CB-SG 3.07Å; C1223-C1241 WeakPolarHBondContact SG-CA 3.05Å; C1223-C1241 WeakPolarHBondContact SG-CB 3.15Å; C1223-C1241 CovalentContact SG-SG 0.55Å; C1223-C1241 PolarHBondContact SG-SG 3.28Å |
| 1224 | S | 63.6 | Low | 60.3 | Low | 80 Ų | 80 | 75.2 Ų | 75.2 | 56% | 0.559 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -19.9 | 176.1 | 25.5 | 0 | 0 | 0 | 0 | 111.6 | S1245 | S1224-S1245 WeakPolarHBondContact CA-OG 1.64Å; S1224-S1245 WeakPolarHBondContact CB-OG 3.28Å; S1224-S1245 PolarHBondContact N-OG 3.19Å; S1224-S1245 VanDerWaalsContact OG-CA 3.24Å; S1224-S1245 WeakPolarHBondContact OG-CA 2.49Å; S1224-S1245 WeakPolarHBondContact OG-CB 2.92Å; S1224-S1245 CovalentContact OG-OG 1.08Å; S1224-S1245 PolarHBondContact OG-OG 3.48Å |
| 1225 | S | 58.3 | Low | 61.3 | Low | 49 Ų | 49 | 72.2 Ų | 72.2 | 34% | 0.343 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 3.3 | 176.9 | 61.3 | 0 | 0 | 0 | 0 | 110.9 | C1223 R1242 D1243 | C1223-S1225 PolarHBondContact O-N 2.58Å; C1223-S1225 VanDerWaalsContact O-N 3.17Å; S1225-R1242 PolarHBondContact OG-N 2.72Å; S1225-D1243 PolarHBondContact OG-N 3.05Å; S1225-D1243 VanDerWaalsContact OG-N 3.11Å |
| 1226 | G | 61.2 | Low | 61.8 | Low | 48 Ų | 48 | 71 Ų | 71 | 50% | 0.495 | 38% | 0.377 | S | S | . | . | S | Bend | trans | 100.5 | 0 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | C1223 | C1223-G1226 PolarHBondContact O-N 2.83Š|
| 1227 | E | 60.8 | Low | 62.3 | Low | 109 Ų | 109 | 72.9 Ų | 72.9 | 51% | 0.509 | 40% | 0.4 | S | S | . | . | 0 | 142 | 0 | -50.8 | -76 | 167.3 | 0 | 0 | 110.3 | C1223 | C1223-E1227 HydrophobicContact CB-CB 4.24Å; C1223-E1227 VanDerWaalsContact CB-O 3.29Å; C1223-E1227 WeakPolarHBondContact CB-O 2.1Å; C1223-E1227 PolarHBondContact N-O 3.03Å | |||
| 1228 | C | 68.1 | Low | 62.8 | Low | 52 Ų | 52 | 72.2 Ų | 72.2 | 35% | 0.351 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 0 | -177 | -65.7 | 0 | 0 | 0 | 0 | 110.2 | R1215 C1216 Y1221 | R1215-C1228 WeakPolarHBondContact O-CB 3.47Å; R1215-C1228 CovalentContact O-SG 1.5Å; R1215-C1228 PolarHBondContact O-SG 3.47Å; C1216-C1228 WeakPolarHBondContact CA-SG 2.87Å; C1216-C1228 HydrophobicContact CB-CB 3.35Å; C1216-C1228 WeakPolarHBondContact CB-SG 3.36Å; C1216-C1228 PolarHBondContact N-SG 3.03Å; C1216-C1228 WeakPolarHBondContact SG-CA 3.21Å; C1216-C1228 CovalentContact SG-CB 2.21Å; C1216-C1228 WeakPolarHBondContact SG-CB 3.06Å; C1216-C1228 CovalentContact SG-SG 2.27Å; C1216-C1228 PolarHBondContact SG-SG 2.1Å; Y1221-C1228 CarbonylContact O-C 3.58Å |
| 1229 | I | 65.6 | Low | 63.6 | Low | 16 Ų | 16 | 71.4 Ų | 71.4 | 8% | 0.082 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 144.5 | 0 | 55 | 167.3 | 0 | 0 | 0 | 108.7 | Q1220 Y1221 Q1231 M1233 D1240 D1246 | Q1220-I1229 CarbonylContact C-O 3.51Å; Q1220-I1229 WeakPolarHBondContact CA-O 3.17Å; Q1220-I1229 VanDerWaalsContact CB-O 3.29Å; Q1220-I1229 WeakPolarHBondContact CB-O 2.87Å; Y1221-I1229 WeakPolarHBondContact CA-O 3.17Å; Y1221-I1229 HydrophobicContact CD1-CD1 3.83Å; Y1221-I1229 HydrophobicContact CD1-CG1 3.91Å; Y1221-I1229 HydrophobicContact CG-CG1 4.47Å; Y1221-I1229 PolarHBondContact N-O 3.49Å; Y1221-I1229 WeakPolarHBondContact O-CG1 3.37Å; Y1221-I1229 PolarHBondContact O-N 3.24Å; Y1221-I1229 VanDerWaalsContact O-O 3.09Å; I1229-Q1231 PolarHBondContact O-N 3.01Å; I1229-M1233 HydrophobicContact CB-CB 3.64Å; I1229-M1233 HydrophobicContact CB-CG 4.43Å; I1229-M1233 HydrophobicContact CD1-CB 3.73Å; I1229-M1233 WeakPolarHBondContact CD1-O 3.33Å; I1229-M1233 HydrophobicContact CG1-CB 4.05Å; I1229-D1240 HydrophobicContact CD1-CB 4.35Å; I1229-D1240 HydrophobicContact CG2-CB 3.83Å; I1229-D1246 HydrophobicContact CD1-CB 3.12Å; I1229-D1246 HydrophobicContact CG1-CB 4.37Å | |
| 1230 | E | 65.7 | Low | 63.9 | Low | 92 Ų | 92 | 72.4 Ų | 72.4 | 43% | 0.43 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.4 | 121.2 | 177.8 | -81.9 | -152.7 | -174.7 | 0 | 0 | 110.8 | G1219 Q1220 Q1232 M1233 | G1219-E1230 CarbonylContact O-C 3.53Å; G1219-E1230 WeakPolarHBondContact O-CA 2.03Å; Q1220-E1230 HydrophobicContact CG-CG 4.19Å; E1230-Q1232 HydrophobicContact CB-CG 3.58Å; E1230-Q1232 CarbonylContact O-C 3.39Å; E1230-Q1232 PolarHBondContact O-N 2.97Å; E1230-Q1232 WeakPolarHBondContact OE2-CG 3.44Å; E1230-Q1232 PolarHBondContact OE2-NE2 3.22Å; E1230-M1233 VanDerWaalsContact C-N 3.32Å; E1230-M1233 HydrophobicContact CB-CG 3.87Å; E1230-M1233 WeakPolarHBondContact O-CA 3.48Å; E1230-M1233 WeakPolarHBondContact O-CB 1.92Å; E1230-M1233 PolarHBondContact O-N 3.02Å |
| 1231 | Q | 66.2 | Low | 63.9 | Low | 123 Ų | 123 | 70.1 Ų | 70.1 | 58% | 0.575 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -35 | -26.1 | -175.9 | -146.8 | 149.1 | 32.9 | 0 | 0 | 111.6 | G1219 Q1220 I1229 M1233 R1234 | G1219-Q1231 VanDerWaalsContact CA-OE1 3.26Å; G1219-Q1231 WeakPolarHBondContact O-CA 3.18Å; G1219-Q1231 WeakPolarHBondContact O-CB 3.21Å; G1219-Q1231 PolarHBondContact O-N 3.16Å; Q1220-Q1231 VanDerWaalsContact CA-N 3.34Å; I1229-Q1231 PolarHBondContact O-N 3.01Å; Q1231-M1233 PolarHBondContact O-N 3.21Å; Q1231-M1233 VanDerWaalsContact O-N 3.09Å; Q1231-R1234 WeakPolarHBondContact O-CB 3.37Å; Q1231-R1234 PolarHBondContact O-N 3.41Å; Q1231-R1234 VanDerWaalsContact O-N 3.14Å |
| 1232 | Q | 65.9 | Low | 64.1 | Low | 139 Ų | 139 | 78.6 Ų | 78.6 | 65% | 0.65 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -75.5 | -6.7 | 179.1 | 53.8 | -173.9 | -6.8 | 0 | 0 | 111.3 | E1230 D1236 | E1230-Q1232 HydrophobicContact CB-CG 3.58Å; E1230-Q1232 CarbonylContact O-C 3.39Å; E1230-Q1232 PolarHBondContact O-N 2.97Å; E1230-Q1232 WeakPolarHBondContact OE2-CG 3.44Å; E1230-Q1232 PolarHBondContact OE2-NE2 3.22Å; Q1232-D1236 WeakPolarHBondContact O-CB 2.89Å |
| 1233 | M | 65.6 | Low | 63.7 | Low | 62 Ų | 62 | 80.2 Ų | 80.2 | 31% | 0.305 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -104.5 | 0 | -175 | -65.6 | -93.8 | -90.3 | 0 | 0 | 109.3 | I1229 E1230 Q1231 D1236 R1253 | I1229-M1233 HydrophobicContact CB-CB 3.64Å; I1229-M1233 HydrophobicContact CB-CG 4.43Å; I1229-M1233 HydrophobicContact CD1-CB 3.73Å; I1229-M1233 WeakPolarHBondContact CD1-O 3.33Å; I1229-M1233 HydrophobicContact CG1-CB 4.05Å; E1230-M1233 VanDerWaalsContact C-N 3.32Å; E1230-M1233 HydrophobicContact CB-CG 3.87Å; E1230-M1233 WeakPolarHBondContact O-CA 3.48Å; E1230-M1233 WeakPolarHBondContact O-CB 1.92Å; E1230-M1233 PolarHBondContact O-N 3.02Å; Q1231-M1233 PolarHBondContact O-N 3.21Å; Q1231-M1233 VanDerWaalsContact O-N 3.09Å; M1233-D1236 VanDerWaalsContact CA-OD2 3.28Å; M1233-D1236 WeakPolarHBondContact CA-OD2 2.76Å; M1233-R1253 VanDerWaalsContact C-NH2 3.32Å; M1233-R1253 PolarHBondContact O-NH2 2Å |
| 1234 | R | 54.9 | Low | 63.3 | Low | 110 Ų | 110 | 81.3 Ų | 81.3 | 42% | 0.415 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 112 | 0 | -157.2 | -175.6 | 168.8 | -143.7 | 0.8 | 110.2 | Y1221 Q1231 R1253 | Y1221-R1234 HydrophobicContact CD1-CB 4.1Å; Y1221-R1234 HydrophobicContact CD1-CG 3.63Å; Y1221-R1234 HydrophobicContact CD2-CB 4.29Å; Y1221-R1234 HydrophobicContact CD2-CG 3.58Å; Y1221-R1234 HydrophobicContact CE1-CG 3.89Å; Y1221-R1234 HydrophobicContact CE2-CG 3.84Å; Y1221-R1234 HydrophobicContact CG-CB 3.82Å; Y1221-R1234 HydrophobicContact CG-CG 3.47Å; Y1221-R1234 VanDerWaalsContact CG-CG 3.47Å; Q1231-R1234 WeakPolarHBondContact O-CB 3.37Å; Q1231-R1234 PolarHBondContact O-N 3.41Å; Q1231-R1234 VanDerWaalsContact O-N 3.14Å; R1234-R1253 PolarHBondContact O-NE 3.47Å; R1234-R1253 PolarHBondContact O-NH2 2.99Å | |
| 1235 | C | 67.7 | Low | 63.4 | Low | 15 Ų | 15 | 77.7 Ų | 77.7 | 10% | 0.101 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 0 | 177.6 | -66.6 | 0 | 0 | 0 | 0 | 110.5 | D1246 C1250 R1253 | C1235-D1246 PolarHBondContact N-O 1.63Å; C1235-C1250 HydrophobicContact CB-CB 3.5Å; C1235-C1250 VanDerWaalsContact CB-CB 3.5Å; C1235-C1250 WeakPolarHBondContact SG-CA 3.47Å; C1235-C1250 CovalentContact SG-CB 1.91Å; C1235-C1250 WeakPolarHBondContact SG-CB 3.39Å; C1235-C1250 CovalentContact SG-SG 1.99Å; C1235-C1250 PolarHBondContact SG-SG 2.01Å; C1235-R1253 CovalentContact C-CZ 0.61Å; C1235-R1253 CovalentContact C-NE 0.81Å; C1235-R1253 CovalentContact C-NH1 1.71Å; C1235-R1253 HydrophobicContact CB-CG 3.17Å; C1235-R1253 CovalentContact N-NH2 1.67Å; C1235-R1253 WeakPolarHBondContact O-CB 2.9Å; C1235-R1253 CovalentContact O-CD 1.02Å; C1235-R1253 WeakPolarHBondContact O-CD 3.05Å; C1235-R1253 WeakPolarHBondContact O-CG 3.47Å; C1235-R1253 CovalentContact O-NE 0.56Å; C1235-R1253 PolarHBondContact O-NE 3.35Å; C1235-R1253 PolarHBondContact O-NH1 3.32Å; C1235-R1253 PolarHBondContact O-NH2 2.66Å |
| 1236 | D | 60.8 | Low | 63.7 | Low | 44 Ų | 44 | 75.4 Ų | 75.4 | 24% | 0.235 | 38% | 0.379 | C | S | . | . | S | Bend | 0 | 0 | 0 | 63.5 | -12 | 0 | 0 | 0 | 110.2 | Q1232 M1233 R1238 D1240 R1253 | Q1232-D1236 WeakPolarHBondContact O-CB 2.89Å; M1233-D1236 VanDerWaalsContact CA-OD2 3.28Å; M1233-D1236 WeakPolarHBondContact CA-OD2 2.76Å; D1236-R1238 PolarHBondContact OD1-N 2.87Å; D1236-D1240 VanDerWaalsContact OD1-OD2 3.12Å; D1236-R1253 CovalentContact N-CZ 0.91Å; D1236-R1253 CovalentContact N-NH1 1.09Å; D1236-R1253 PolarHBondContact O-NH1 2.86Å; D1236-R1253 IonicContact OD1-CZ 3.92Å; D1236-R1253 IonicContact OD1-NH1 3.8Å; D1236-R1253 PolarHBondContact OD1-NH1 3.3Å; D1236-R1253 IonicContact OD1-NH2 3.78Å; D1236-R1253 PolarHBondContact OD1-NH2 2.9Å | |
| 1237 | G | 63.2 | Low | 64 | Low | 63 Ų | 63 | 76.3 Ų | 76.3 | 65% | 0.649 | 37% | 0.371 | S | S | * | . | S | Bend | 0 | 11.9 | 0 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1247 R1253 | G1237-E1247 PolarHBondContact N-OE1 2.7Å; G1237-R1253 VanDerWaalsContact N-CZ 3.32Å | |
| 1238 | R | 60.6 | Low | 63.9 | Low | 174 Ų | 174 | 75.1 Ų | 75.1 | 66% | 0.657 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -131.2 | 116.2 | 173 | -56.3 | -171.8 | -115.7 | -154.3 | 0.4 | 109 | D1236 D1240 E1247 | D1236-R1238 PolarHBondContact OD1-N 2.87Å; R1238-D1240 WeakPolarHBondContact CB-OD1 3.41Å; R1238-D1240 PolarHBondContact O-N 1.68Å; R1238-E1247 PolarHBondContact N-OE1 2.6Å |
| 1239 | Q | 63.8 | Low | 63.2 | Low | 132 Ų | 132 | 76.3 Ų | 76.3 | 62% | 0.617 | 39% | 0.392 | S | S | * | . | trans | -52.5 | 84.3 | 170.6 | -168.5 | 179.4 | 15 | 0 | 0 | 111.2 | C1241 A1244 | Q1239-C1241 WeakPolarHBondContact CG-O 3.01Å; Q1239-A1244 HydrophobicContact CG-CB 3.67Å | ||
| 1240 | D | 58.7 | Low | 62.7 | Low | 50 Ų | 50 | 76.9 Ų | 76.9 | 27% | 0.267 | 40% | 0.397 | S | S | . | . | trans | -89.2 | 0 | -178.7 | -65 | -46.2 | 0 | 0 | 0 | 110.2 | I1229 D1236 R1238 D1246 | I1229-D1240 HydrophobicContact CD1-CB 4.35Å; I1229-D1240 HydrophobicContact CG2-CB 3.83Å; D1236-D1240 VanDerWaalsContact OD1-OD2 3.12Å; R1238-D1240 WeakPolarHBondContact CB-OD1 3.41Å; R1238-D1240 PolarHBondContact O-N 1.68Å; D1240-D1246 WeakPolarHBondContact CA-OD2 3.07Å; D1240-D1246 WeakPolarHBondContact CB-OD2 3.38Å; D1240-D1246 PolarHBondContact N-OD1 2.1Å; D1240-D1246 PolarHBondContact N-OD2 3.27Å | ||
| 1241 | C | 68.2 | Low | 61.9 | Low | 1 Ų | 1 | 77.1 Ų | 77.1 | 1% | 0.007 | 41% | 0.407 | C | S | . | . | S | Bend | 0 | 132 | 0 | -97.6 | 0 | 0 | 0 | 0 | 109.5 | C1223 Q1239 D1243 A1244 D1246 | C1223-C1241 WeakPolarHBondContact CA-SG 2.96Å; C1223-C1241 HydrophobicContact CB-CB 3.07Å; C1223-C1241 CovalentContact CB-SG 1.66Å; C1223-C1241 WeakPolarHBondContact CB-SG 3.07Å; C1223-C1241 WeakPolarHBondContact SG-CA 3.05Å; C1223-C1241 WeakPolarHBondContact SG-CB 3.15Å; C1223-C1241 CovalentContact SG-SG 0.55Å; C1223-C1241 PolarHBondContact SG-SG 3.28Å; Q1239-C1241 WeakPolarHBondContact CG-O 3.01Å; C1241-D1243 PolarHBondContact O-N 2.68Å; C1241-A1244 VanDerWaalsContact C-N 3.34Å; C1241-A1244 VanDerWaalsContact O-CA 3.31Å; C1241-A1244 WeakPolarHBondContact O-CA 3.33Å; C1241-A1244 PolarHBondContact O-N 2.77Å; C1241-D1246 HydrophobicContact CB-CB 3.88Å; C1241-D1246 PolarHBondContact N-OD1 3.27Å; C1241-D1246 VanDerWaalsContact N-OD1 3.14Å | |
| 1242 | R | 67.5 | Low | 61 | Low | 226 Ų | 226 | 75.4 Ų | 75.4 | 85% | 0.853 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 0 | -176.7 | -141.2 | 176.8 | 153.2 | 167.1 | 1.3 | 111.2 | S1225 | S1225-R1242 PolarHBondContact OG-N 2.72Š|
| 1243 | D | 62.6 | Low | 60.3 | Low | 97 Ų | 97 | 71.8 Ų | 71.8 | 52% | 0.519 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 18.9 | 0 | -165.5 | 5.5 | 0 | 0 | 0 | 109.6 | S1225 C1241 S1245 | S1225-D1243 PolarHBondContact OG-N 3.05Å; S1225-D1243 VanDerWaalsContact OG-N 3.11Å; C1241-D1243 PolarHBondContact O-N 2.68Å; D1243-S1245 PolarHBondContact O-N 3.43Å; D1243-S1245 VanDerWaalsContact O-N 3.1Å | |
| 1244 | A | 61 | Low | 59.7 | Low | 26 Ų | 26 | 69.9 Ų | 69.9 | 22% | 0.215 | 38% | 0.379 | C | S | . | . | S | Bend | trans | 49 | 26.3 | -179 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q1239 C1241 D1246 E1247 T1248 | Q1239-A1244 HydrophobicContact CG-CB 3.67Å; C1241-A1244 VanDerWaalsContact C-N 3.34Å; C1241-A1244 VanDerWaalsContact O-CA 3.31Å; C1241-A1244 WeakPolarHBondContact O-CA 3.33Å; C1241-A1244 PolarHBondContact O-N 2.77Å; A1244-D1246 PolarHBondContact O-N 2.84Å; A1244-E1247 PolarHBondContact O-N 2.57Å; A1244-E1247 VanDerWaalsContact O-N 3.14Å; A1244-T1248 WeakPolarHBondContact O-CG2 2.98Å |
| 1245 | S | 65.1 | Low | 59.5 | Low | 4 Ų | 4 | 73.3 Ų | 73.3 | 3% | 0.028 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -74.6 | 0 | -178.5 | -61.6 | 0 | 0 | 0 | 0 | 111 | Y1221 S1224 D1243 E1247 T1248 | Y1221-S1245 PolarHBondContact OH-O 3.04Å; S1224-S1245 WeakPolarHBondContact CA-OG 1.64Å; S1224-S1245 WeakPolarHBondContact CB-OG 3.28Å; S1224-S1245 PolarHBondContact N-OG 3.19Å; S1224-S1245 VanDerWaalsContact OG-CA 3.24Å; S1224-S1245 WeakPolarHBondContact OG-CA 2.49Å; S1224-S1245 WeakPolarHBondContact OG-CB 2.92Å; S1224-S1245 CovalentContact OG-OG 1.08Å; S1224-S1245 PolarHBondContact OG-OG 3.48Å; D1243-S1245 PolarHBondContact O-N 3.43Å; D1243-S1245 VanDerWaalsContact O-N 3.1Å; S1245-E1247 PolarHBondContact O-N 2.75Å; S1245-T1248 VanDerWaalsContact CA-OG1 3.26Å; S1245-T1248 WeakPolarHBondContact CA-OG1 3.45Å; S1245-T1248 PolarHBondContact O-N 2.99Å; S1245-T1248 PolarHBondContact O-OG1 2.86Å |
| 1246 | D | 64.9 | Low | 58.6 | Low | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 43% | 0.433 | C | S | . | . | G | 310 helix | 0 | 0 | 0 | 72.2 | -36.8 | 0 | 0 | 0 | 110.8 | Y1221 I1229 C1235 D1240 C1241 A1244 | Y1221-D1246 HydrophobicContact CD1-CB 4.12Å; Y1221-D1246 VanDerWaalsContact CE1-CA 3.44Å; Y1221-D1246 HydrophobicContact CE1-CB 3.97Å; I1229-D1246 HydrophobicContact CD1-CB 3.12Å; I1229-D1246 HydrophobicContact CG1-CB 4.37Å; C1235-D1246 PolarHBondContact N-O 1.63Å; D1240-D1246 WeakPolarHBondContact CA-OD2 3.07Å; D1240-D1246 WeakPolarHBondContact CB-OD2 3.38Å; D1240-D1246 PolarHBondContact N-OD1 2.1Å; D1240-D1246 PolarHBondContact N-OD2 3.27Å; C1241-D1246 HydrophobicContact CB-CB 3.88Å; C1241-D1246 PolarHBondContact N-OD1 3.27Å; C1241-D1246 VanDerWaalsContact N-OD1 3.14Å; A1244-D1246 PolarHBondContact O-N 2.84Å | |
| 1247 | E | 67.3 | Low | 58.3 | Low | 68 Ų | 68 | 78.8 Ų | 78.8 | 32% | 0.318 | 44% | 0.435 | S | S | . | . | G | 310 helix | 0 | 0 | 0 | -61.3 | -86.4 | 163.7 | 0 | 0 | 109.7 | G1237 R1238 A1244 S1245 R1253 | G1237-E1247 PolarHBondContact N-OE1 2.7Å; R1238-E1247 PolarHBondContact N-OE1 2.6Å; A1244-E1247 PolarHBondContact O-N 2.57Å; A1244-E1247 VanDerWaalsContact O-N 3.14Å; S1245-E1247 PolarHBondContact O-N 2.75Å; E1247-R1253 IonicContact OE1-CZ 2.48Å; E1247-R1253 IonicContact OE1-NH1 3.68Å; E1247-R1253 PolarHBondContact OE1-NH1 2.69Å; E1247-R1253 IonicContact OE2-NH1 3.33Å | |
| 1248 | T | 58.8 | Low | 58.5 | Low | 83 Ų | 83 | 78 Ų | 78 | 51% | 0.509 | 42% | 0.415 | S | S | . | . | S | Bend | 0 | 0 | 0 | 54.1 | 0 | 0 | 0 | 0 | 108.8 | A1244 S1245 | A1244-T1248 WeakPolarHBondContact O-CG2 2.98Å; S1245-T1248 VanDerWaalsContact CA-OG1 3.26Å; S1245-T1248 WeakPolarHBondContact CA-OG1 3.45Å; S1245-T1248 PolarHBondContact O-N 2.99Å; S1245-T1248 PolarHBondContact O-OG1 2.86Å | |
| 1249 | G | 54 | Low | 58.8 | Low | 78 Ų | 78 | 72.3 Ų | 72.3 | 80% | 0.804 | 39% | 0.393 | S | S | * | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||
| 1250 | C | 54.3 | Low | 59.2 | Low | 28 Ų | 28 | 69.2 Ų | 69.2 | 19% | 0.189 | 38% | 0.379 | C | S | . | . | 0 | 126.1 | 0 | -69.9 | 0 | 0 | 0 | 0 | 109.5 | C1235 | C1235-C1250 HydrophobicContact CB-CB 3.5Å; C1235-C1250 VanDerWaalsContact CB-CB 3.5Å; C1235-C1250 WeakPolarHBondContact SG-CA 3.47Å; C1235-C1250 CovalentContact SG-CB 1.91Å; C1235-C1250 WeakPolarHBondContact SG-CB 3.39Å; C1235-C1250 CovalentContact SG-SG 1.99Å; C1235-C1250 PolarHBondContact SG-SG 2.01Å | |||
| 1251 | P | 47.9 | Very low | 59.8 | Low | 97 Ų | 97 | 67 Ų | 67 | 63% | 0.63 | 37% | 0.368 | S | S | * | . | trans | -55.6 | 111.7 | 179.8 | 1 | 2.8 | 0 | 0 | 0 | 111.8 | R1253 | P1251-R1253 PolarHBondContact O-N 3.42Š| ||
| 1252 | P | 47.6 | Very low | 59.6 | Low | 87 Ų | 87 | 70.8 Ų | 70.8 | 57% | 0.565 | 39% | 0.394 | S | S | * | . | trans | -21.2 | 0 | 170.2 | 9.9 | 4.9 | 0 | 0 | 0 | 111.9 | Q1260 | P1252-Q1260 HydrophobicContact CB-CB 4.08Å; P1252-Q1260 HydrophobicContact CB-CG 3.77Å; P1252-Q1260 CovalentContact CB-OE1 1.43Å; P1252-Q1260 PolarHBondContact O-OE1 2.98Å | ||
| 1253 | R | 52.1 | Low | 59.4 | Low | 62 Ų | 62 | 62.4 Ų | 62.4 | 23% | 0.234 | 37% | 0.37 | C | S | . | . | 0 | 0 | 0 | -86.7 | -169.2 | 171.9 | 162.2 | 0 | 111.4 | M1233 R1234 C1235 D1236 G1237 E1247 P1251 C1266 | M1233-R1253 VanDerWaalsContact C-NH2 3.32Å; M1233-R1253 PolarHBondContact O-NH2 2Å; R1234-R1253 PolarHBondContact O-NE 3.47Å; R1234-R1253 PolarHBondContact O-NH2 2.99Å; C1235-R1253 CovalentContact C-CZ 0.61Å; C1235-R1253 CovalentContact C-NE 0.81Å; C1235-R1253 CovalentContact C-NH1 1.71Å; C1235-R1253 HydrophobicContact CB-CG 3.17Å; C1235-R1253 CovalentContact N-NH2 1.67Å; C1235-R1253 WeakPolarHBondContact O-CB 2.9Å; C1235-R1253 CovalentContact O-CD 1.02Å; C1235-R1253 WeakPolarHBondContact O-CD 3.05Å; C1235-R1253 WeakPolarHBondContact O-CG 3.47Å; C1235-R1253 CovalentContact O-NE 0.56Å; C1235-R1253 PolarHBondContact O-NE 3.35Å; C1235-R1253 PolarHBondContact O-NH1 3.32Å; C1235-R1253 PolarHBondContact O-NH2 2.66Å; D1236-R1253 CovalentContact N-CZ 0.91Å; D1236-R1253 CovalentContact N-NH1 1.09Å; D1236-R1253 PolarHBondContact O-NH1 2.86Å; D1236-R1253 IonicContact OD1-CZ 3.92Å; D1236-R1253 IonicContact OD1-NH1 3.8Å; D1236-R1253 PolarHBondContact OD1-NH1 3.3Å; D1236-R1253 IonicContact OD1-NH2 3.78Å; D1236-R1253 PolarHBondContact OD1-NH2 2.9Å; G1237-R1253 VanDerWaalsContact N-CZ 3.32Å; E1247-R1253 IonicContact OE1-CZ 2.48Å; E1247-R1253 IonicContact OE1-NH1 3.68Å; E1247-R1253 PolarHBondContact OE1-NH1 2.69Å; E1247-R1253 IonicContact OE2-NH1 3.33Å; P1251-R1253 PolarHBondContact O-N 3.42Å; R1253-C1266 CovalentContact O-SG 2.08Å; R1253-C1266 PolarHBondContact O-SG 3.35Å | |||
| 1254 | C | 51.5 | Low | 59.3 | Low | 22 Ų | 22 | 60.1 Ų | 60.1 | 15% | 0.149 | 37% | 0.37 | C | S | . | . | 0 | 117.6 | 0 | -65 | 0 | 0 | 0 | 0 | 109.4 | Q1258 C1266 | C1254-Q1258 VanDerWaalsContact C-CB 3.49Å; C1254-Q1258 HydrophobicContact CB-CB 3.07Å; C1254-Q1258 HydrophobicContact CB-CG 4.44Å; C1254-Q1258 WeakPolarHBondContact CB-O 3.28Å; C1254-C1266 HydrophobicContact CB-CB 3.48Å; C1254-C1266 VanDerWaalsContact CB-CB 3.48Å; C1254-C1266 VanDerWaalsContact CB-SG 3.59Å; C1254-C1266 VanDerWaalsContact SG-C 3.54Å; C1254-C1266 WeakPolarHBondContact SG-CA 2.89Å; C1254-C1266 CovalentContact SG-CB 2.12Å; C1254-C1266 WeakPolarHBondContact SG-CB 2.63Å; C1254-C1266 CovalentContact SG-SG 2.16Å; C1254-C1266 PolarHBondContact SG-SG 3.14Å | |||
| 1255 | R | 52.6 | Low | 59.5 | Low | 182 Ų | 182 | 64.2 Ų | 64.2 | 69% | 0.687 | 38% | 0.384 | S | S | * | . | trans | -17.9 | 135.4 | 172.5 | -64.6 | -171.8 | 169.1 | 94.9 | -2.5 | 111.8 | G1257 Q1258 | R1255-G1257 CarbonylContact O-C 3.58Å; R1255-G1257 PolarHBondContact O-N 3.17Å; R1255-Q1258 HydrophobicContact CB-CB 4.28Å; R1255-Q1258 HydrophobicContact CB-CG 3.91Å; R1255-Q1258 WeakPolarHBondContact O-CA 3.4Å; R1255-Q1258 WeakPolarHBondContact O-CB 3.46Å; R1255-Q1258 PolarHBondContact O-N 3.48Å | ||
| 1256 | P | 48 | Very low | 59.7 | Low | 147 Ų | 147 | 67 Ų | 67 | 96% | 0.955 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43 | 89.1 | 174.1 | -3.2 | 11.7 | 0 | 0 | 0 | 111.7 | ||
| 1257 | G | 53.6 | Low | 59.9 | Low | 28 Ų | 28 | 67.8 Ų | 67.8 | 29% | 0.289 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 130.4 | 0 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111 | R1255 E1268 Q1269 | R1255-G1257 CarbonylContact O-C 3.58Å; R1255-G1257 PolarHBondContact O-N 3.17Å; G1257-E1268 CarbonylContact O-C 3.46Å; G1257-Q1269 VanDerWaalsContact C-N 3.34Å; G1257-Q1269 WeakPolarHBondContact O-CA 3.19Å; G1257-Q1269 WeakPolarHBondContact O-CB 3.36Å; G1257-Q1269 PolarHBondContact O-N 2.64Å |
| 1258 | Q | 68.6 | Low | 59.8 | Low | 46 Ų | 46 | 69 Ų | 69 | 22% | 0.215 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -68.3 | -174.7 | -10.8 | 0 | 0 | 109.2 | C1254 R1255 I1267 E1268 | C1254-Q1258 VanDerWaalsContact C-CB 3.49Å; C1254-Q1258 HydrophobicContact CB-CB 3.07Å; C1254-Q1258 HydrophobicContact CB-CG 4.44Å; C1254-Q1258 WeakPolarHBondContact CB-O 3.28Å; R1255-Q1258 HydrophobicContact CB-CB 4.28Å; R1255-Q1258 HydrophobicContact CB-CG 3.91Å; R1255-Q1258 WeakPolarHBondContact O-CA 3.4Å; R1255-Q1258 WeakPolarHBondContact O-CB 3.46Å; R1255-Q1258 PolarHBondContact O-N 3.48Å; Q1258-I1267 CarbonylContact C-O 3.5Å; Q1258-I1267 WeakPolarHBondContact CA-O 2.75Å; Q1258-I1267 WeakPolarHBondContact CB-O 1.9Å; Q1258-E1268 HydrophobicContact CG-CG 4.33Å | |
| 1259 | Y | 66.6 | Low | 60.2 | Low | 54 Ų | 54 | 71 Ų | 71 | 21% | 0.212 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 133.4 | 0 | 172.6 | -101.6 | 0 | 0 | 0 | 110.3 | I1267 R1272 S1283 D1284 | Y1259-I1267 WeakPolarHBondContact CA-O 3.16Å; Y1259-I1267 HydrophobicContact CD1-CD1 3.77Å; Y1259-I1267 HydrophobicContact CD1-CG1 3.86Å; Y1259-I1267 HydrophobicContact CG-CG1 4.44Å; Y1259-I1267 PolarHBondContact N-O 3.05Å; Y1259-I1267 WeakPolarHBondContact O-CG1 3.27Å; Y1259-I1267 PolarHBondContact O-N 3.25Å; Y1259-I1267 VanDerWaalsContact O-O 3.08Å; Y1259-R1272 HydrophobicContact CD1-CB 3.89Å; Y1259-R1272 HydrophobicContact CD1-CG 3.92Å; Y1259-R1272 HydrophobicContact CD2-CB 4.14Å; Y1259-R1272 HydrophobicContact CD2-CG 3.8Å; Y1259-R1272 HydrophobicContact CE1-CG 4.08Å; Y1259-R1272 HydrophobicContact CE2-CG 3.96Å; Y1259-R1272 HydrophobicContact CG-CB 3.67Å; Y1259-R1272 VanDerWaalsContact CG-CD 3.46Å; Y1259-R1272 HydrophobicContact CG-CG 3.78Å; Y1259-S1283 PolarHBondContact OH-O 2.95Å; Y1259-D1284 HydrophobicContact CD1-CB 4.4Å; Y1259-D1284 HydrophobicContact CE1-CB 4.13Å | |
| 1260 | Q | 71.8 | Confident | 60.9 | Low | 68 Ų | 68 | 74 Ų | 74 | 32% | 0.318 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 0 | 178.7 | -169 | 174 | -1.5 | 0 | 0 | 110 | P1252 E1265 | P1252-Q1260 HydrophobicContact CB-CB 4.08Å; P1252-Q1260 HydrophobicContact CB-CG 3.77Å; P1252-Q1260 CovalentContact CB-OE1 1.43Å; P1252-Q1260 PolarHBondContact O-OE1 2.98Å; Q1260-E1265 CarbonylContact C-O 3.49Å |
| 1261 | C | 71.3 | Confident | 61.5 | Low | 4 Ų | 4 | 76.1 Ų | 76.1 | 3% | 0.027 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | 0 | 0 | 0 | -76.2 | 0 | 0 | 0 | 0 | 110.7 | S1263 G1264 E1265 C1279 | C1261-S1263 PolarHBondContact O-N 3.12Å; C1261-G1264 PolarHBondContact O-N 3.24Å; C1261-E1265 HydrophobicContact CB-CB 4.25Å; C1261-E1265 WeakPolarHBondContact CB-O 2.87Å; C1261-E1265 PolarHBondContact N-O 3.38Å; C1261-C1279 WeakPolarHBondContact CA-SG 3.28Å; C1261-C1279 HydrophobicContact CB-CB 3.22Å; C1261-C1279 WeakPolarHBondContact CB-SG 3.07Å; C1261-C1279 WeakPolarHBondContact SG-CA 3.36Å; C1261-C1279 WeakPolarHBondContact SG-CB 3.41Å; C1261-C1279 CovalentContact SG-SG 0.65Å; C1261-C1279 PolarHBondContact SG-SG 3.19Å | |
| 1262 | S | 65.4 | Low | 62 | Low | 79 Ų | 79 | 76.6 Ų | 76.6 | 55% | 0.552 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | -20.8 | 0 | 32 | 0 | 0 | 0 | 0 | 111.8 | S1283 | S1262-S1283 WeakPolarHBondContact CA-OG 3.46Å; S1262-S1283 WeakPolarHBondContact CB-OG 3.02Å; S1262-S1283 PolarHBondContact N-OG 2.84Å; S1262-S1283 VanDerWaalsContact OG-CA 3.24Å; S1262-S1283 WeakPolarHBondContact OG-CA 3.01Å; S1262-S1283 WeakPolarHBondContact OG-CB 3.37Å; S1262-S1283 CovalentContact OG-OG 1.05Å; S1262-S1283 PolarHBondContact OG-OG 3.37Å | |
| 1263 | S | 61.7 | Low | 63 | Low | 50 Ų | 50 | 73 Ų | 73 | 35% | 0.35 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 0 | 175.1 | 61.4 | 0 | 0 | 0 | 0 | 111 | C1261 D1281 | C1261-S1263 PolarHBondContact O-N 3.12Å; S1263-D1281 PolarHBondContact OG-N 3.08Å |
| 1264 | G | 62.3 | Low | 63.5 | Low | 50 Ų | 50 | 72.4 Ų | 72.4 | 52% | 0.515 | 39% | 0.385 | S | S | . | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.5 | C1261 | C1261-G1264 PolarHBondContact O-N 3.24Š| |
| 1265 | E | 63.9 | Low | 64.1 | Low | 111 Ų | 111 | 74.5 Ų | 74.5 | 52% | 0.519 | 41% | 0.41 | S | S | . | . | 0 | 0 | 0 | -46.5 | -101.1 | 169.8 | 0 | 0 | 110.1 | Q1260 C1261 | Q1260-E1265 CarbonylContact C-O 3.49Å; C1261-E1265 HydrophobicContact CB-CB 4.25Å; C1261-E1265 WeakPolarHBondContact CB-O 2.87Å; C1261-E1265 PolarHBondContact N-O 3.38Å | |||
| 1266 | C | 69.3 | Low | 64.6 | Low | 62 Ų | 62 | 74.5 Ų | 74.5 | 42% | 0.419 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -66.3 | 0 | 0 | 0 | 0 | 109.9 | R1253 C1254 | R1253-C1266 CovalentContact O-SG 2.08Å; R1253-C1266 PolarHBondContact O-SG 3.35Å; C1254-C1266 HydrophobicContact CB-CB 3.48Å; C1254-C1266 VanDerWaalsContact CB-CB 3.48Å; C1254-C1266 VanDerWaalsContact CB-SG 3.59Å; C1254-C1266 VanDerWaalsContact SG-C 3.54Å; C1254-C1266 WeakPolarHBondContact SG-CA 2.89Å; C1254-C1266 CovalentContact SG-CB 2.12Å; C1254-C1266 WeakPolarHBondContact SG-CB 2.63Å; C1254-C1266 CovalentContact SG-SG 2.16Å; C1254-C1266 PolarHBondContact SG-SG 3.14Å | |
| 1267 | I | 68.7 | Low | 65.5 | Low | 17 Ų | 17 | 74.4 Ų | 74.4 | 9% | 0.087 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 149.1 | 0 | 54.7 | 166.8 | 0 | 0 | 0 | 108.8 | Q1258 Y1259 M1271 D1278 D1284 | Q1258-I1267 CarbonylContact C-O 3.5Å; Q1258-I1267 WeakPolarHBondContact CA-O 2.75Å; Q1258-I1267 WeakPolarHBondContact CB-O 1.9Å; Y1259-I1267 WeakPolarHBondContact CA-O 3.16Å; Y1259-I1267 HydrophobicContact CD1-CD1 3.77Å; Y1259-I1267 HydrophobicContact CD1-CG1 3.86Å; Y1259-I1267 HydrophobicContact CG-CG1 4.44Å; Y1259-I1267 PolarHBondContact N-O 3.05Å; Y1259-I1267 WeakPolarHBondContact O-CG1 3.27Å; Y1259-I1267 PolarHBondContact O-N 3.25Å; Y1259-I1267 VanDerWaalsContact O-O 3.08Å; I1267-M1271 HydrophobicContact CB-CB 3.69Å; I1267-M1271 HydrophobicContact CB-CG 4.49Å; I1267-M1271 HydrophobicContact CD1-CB 3.67Å; I1267-M1271 WeakPolarHBondContact CD1-O 3.38Å; I1267-M1271 HydrophobicContact CG1-CB 4.07Å; I1267-D1278 HydrophobicContact CG2-CB 4.15Å; I1267-D1284 HydrophobicContact CD1-CB 3.46Å; I1267-D1284 VanDerWaalsContact CD1-CB 3.46Å | |
| 1268 | E | 66.6 | Low | 66 | Low | 94 Ų | 94 | 75.6 Ų | 75.6 | 44% | 0.439 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 125.3 | 177 | -77.2 | -151.4 | -175.9 | 0 | 0 | 111 | G1257 Q1258 Q1270 M1271 | G1257-E1268 CarbonylContact O-C 3.46Å; Q1258-E1268 HydrophobicContact CG-CG 4.33Å; E1268-Q1270 HydrophobicContact CB-CG 3.64Å; E1268-Q1270 VanDerWaalsContact CD-NE2 3.32Å; E1268-Q1270 CarbonylContact O-C 3.55Å; E1268-Q1270 PolarHBondContact O-N 3.34Å; E1268-Q1270 PolarHBondContact OE2-NE2 1.06Å; E1268-M1271 HydrophobicContact CB-CG 4.05Å; E1268-M1271 VanDerWaalsContact O-CA 3.27Å; E1268-M1271 WeakPolarHBondContact O-CA 3.4Å; E1268-M1271 WeakPolarHBondContact O-CB 3.01Å; E1268-M1271 PolarHBondContact O-N 3.25Å |
| 1269 | Q | 66.9 | Low | 66.2 | Low | 125 Ų | 125 | 73.6 Ų | 73.6 | 58% | 0.584 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -38.1 | -24.4 | -176 | -119.3 | 163.1 | 38.4 | 0 | 0 | 111.7 | G1257 M1271 R1272 | G1257-Q1269 VanDerWaalsContact C-N 3.34Å; G1257-Q1269 WeakPolarHBondContact O-CA 3.19Å; G1257-Q1269 WeakPolarHBondContact O-CB 3.36Å; G1257-Q1269 PolarHBondContact O-N 2.64Å; Q1269-M1271 PolarHBondContact O-N 2.98Å; Q1269-R1272 PolarHBondContact O-N 3.04Å |
| 1270 | Q | 68 | Low | 66.3 | Low | 142 Ų | 142 | 82.2 Ų | 82.2 | 66% | 0.664 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -77.6 | -6 | 179 | 51.2 | -176.1 | -14.6 | 0 | 0 | 111.4 | E1268 | E1268-Q1270 HydrophobicContact CB-CG 3.64Å; E1268-Q1270 VanDerWaalsContact CD-NE2 3.32Å; E1268-Q1270 CarbonylContact O-C 3.55Å; E1268-Q1270 PolarHBondContact O-N 3.34Å; E1268-Q1270 PolarHBondContact OE2-NE2 1.06Å |
| 1271 | M | 68 | Low | 66 | Low | 71 Ų | 71 | 83.5 Ų | 83.5 | 35% | 0.35 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -106.3 | 0 | -175.3 | -66 | -101.5 | -87.4 | 0 | 0 | 109.3 | I1267 E1268 Q1269 D1274 D1278 | I1267-M1271 HydrophobicContact CB-CB 3.69Å; I1267-M1271 HydrophobicContact CB-CG 4.49Å; I1267-M1271 HydrophobicContact CD1-CB 3.67Å; I1267-M1271 WeakPolarHBondContact CD1-O 3.38Å; I1267-M1271 HydrophobicContact CG1-CB 4.07Å; E1268-M1271 HydrophobicContact CB-CG 4.05Å; E1268-M1271 VanDerWaalsContact O-CA 3.27Å; E1268-M1271 WeakPolarHBondContact O-CA 3.4Å; E1268-M1271 WeakPolarHBondContact O-CB 3.01Å; E1268-M1271 PolarHBondContact O-N 3.25Å; Q1269-M1271 PolarHBondContact O-N 2.98Å; M1271-D1274 WeakPolarHBondContact CA-OD2 3.29Å; M1271-D1274 VanDerWaalsContact SD-OD2 3.35Å; M1271-D1278 HydrophobicContact CE-CB 4.5Å |
| 1272 | R | 58 | Low | 65.6 | Low | 107 Ų | 107 | 84.2 Ų | 84.2 | 40% | 0.404 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 111.8 | 0 | -175.6 | 179.1 | -175.3 | -117.9 | 2 | 110.3 | Y1259 Q1269 R1291 | Y1259-R1272 HydrophobicContact CD1-CB 3.89Å; Y1259-R1272 HydrophobicContact CD1-CG 3.92Å; Y1259-R1272 HydrophobicContact CD2-CB 4.14Å; Y1259-R1272 HydrophobicContact CD2-CG 3.8Å; Y1259-R1272 HydrophobicContact CE1-CG 4.08Å; Y1259-R1272 HydrophobicContact CE2-CG 3.96Å; Y1259-R1272 HydrophobicContact CG-CB 3.67Å; Y1259-R1272 VanDerWaalsContact CG-CD 3.46Å; Y1259-R1272 HydrophobicContact CG-CG 3.78Å; Q1269-R1272 PolarHBondContact O-N 3.04Å; R1272-R1291 CovalentContact C-NH2 1.16Å; R1272-R1291 PolarHBondContact O-NE 3.46Å; R1272-R1291 PolarHBondContact O-NH1 3.44Å; R1272-R1291 CovalentContact O-NH2 0.97Å; R1272-R1291 PolarHBondContact O-NH2 3Å | |
| 1273 | C | 68.9 | Low | 65.7 | Low | 11 Ų | 11 | 80.6 Ų | 80.6 | 7% | 0.074 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 0 | 177 | -66 | 0 | 0 | 0 | 0 | 110.8 | D1284 C1288 R1291 | C1273-D1284 PolarHBondContact N-O 2.86Å; C1273-C1288 HydrophobicContact CB-CB 3.5Å; C1273-C1288 WeakPolarHBondContact SG-CA 3.27Å; C1273-C1288 CovalentContact SG-CB 2Å; C1273-C1288 WeakPolarHBondContact SG-CB 3.17Å; C1273-C1288 CovalentContact SG-SG 2.1Å; C1273-C1288 PolarHBondContact SG-SG 2.75Å; C1273-R1291 CovalentContact C-CZ 1.19Å; C1273-R1291 CovalentContact C-NH1 1.2Å; C1273-R1291 HydrophobicContact CB-CB 4.44Å; C1273-R1291 HydrophobicContact CB-CG 2.99Å; C1273-R1291 CovalentContact N-NH2 1.53Å; C1273-R1291 WeakPolarHBondContact O-CB 2.56Å; C1273-R1291 CovalentContact O-CD 0.76Å; C1273-R1291 WeakPolarHBondContact O-CD 3Å; C1273-R1291 WeakPolarHBondContact O-CG 2.97Å; C1273-R1291 PolarHBondContact O-NE 2.91Å; C1273-R1291 PolarHBondContact O-NH1 3.1Å; C1273-R1291 PolarHBondContact O-NH2 3.43Å |
| 1274 | D | 62.8 | Low | 66.1 | Low | 50 Ų | 50 | 78.2 Ų | 78.2 | 27% | 0.267 | 39% | 0.393 | S | S | . | . | S | Bend | 0 | 0 | 0 | 63.1 | -13.4 | 0 | 0 | 0 | 109.2 | M1271 R1276 D1278 R1291 | M1271-D1274 WeakPolarHBondContact CA-OD2 3.29Å; M1271-D1274 VanDerWaalsContact SD-OD2 3.35Å; D1274-R1276 PolarHBondContact O-N 2.81Å; D1274-D1278 VanDerWaalsContact OD1-OD2 3.05Å; D1274-D1278 VanDerWaalsContact OD2-OD2 3.08Å; D1274-R1291 VanDerWaalsContact CA-CD 3.44Å; D1274-R1291 CovalentContact N-NH1 0.52Å; D1274-R1291 IonicContact OD1-NH1 3.07Å; D1274-R1291 PolarHBondContact OD1-NH1 3.49Å | |
| 1275 | G | 63.9 | Low | 66.5 | Low | 67 Ų | 67 | 79.1 Ų | 79.1 | 69% | 0.691 | 38% | 0.384 | S | S | * | . | S | Bend | 0 | 8.5 | 0 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1285 | G1275-E1285 WeakPolarHBondContact CA-OE1 3.43Å; G1275-E1285 PolarHBondContact N-OE1 3.18Å | |
| 1276 | R | 62.7 | Low | 66.5 | Low | 181 Ų | 181 | 77.8 Ų | 77.8 | 68% | 0.683 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -128.5 | 123.1 | 173.4 | -68.1 | -171.8 | -113.8 | -153.3 | 1.3 | 109.2 | D1274 D1278 E1285 | D1274-R1276 PolarHBondContact O-N 2.81Å; R1276-D1278 PolarHBondContact O-N 3.02Å; R1276-E1285 PolarHBondContact N-OE1 2.69Å |
| 1277 | Q | 66.9 | Low | 65.8 | Low | 145 Ų | 145 | 78.5 Ų | 78.5 | 68% | 0.678 | 40% | 0.402 | S | S | * | . | trans | -58.8 | 88.7 | 170.1 | -119.6 | -178.7 | 19.1 | 0 | 0 | 111.3 | A1282 | Q1277-A1282 VanDerWaalsContact CD-CB 3.42Å; Q1277-A1282 HydrophobicContact CG-CB 3.5Å; Q1277-A1282 VanDerWaalsContact CG-CB 3.5Å | ||
| 1278 | D | 62.7 | Low | 65.2 | Low | 54 Ų | 54 | 79 Ų | 79 | 29% | 0.289 | 41% | 0.406 | S | S | . | . | trans | -93.7 | 0 | -177.7 | -64.6 | -47.2 | 0 | 0 | 0 | 110.2 | I1267 M1271 D1274 R1276 D1284 | I1267-D1278 HydrophobicContact CG2-CB 4.15Å; M1271-D1278 HydrophobicContact CE-CB 4.5Å; D1274-D1278 VanDerWaalsContact OD1-OD2 3.05Å; D1274-D1278 VanDerWaalsContact OD2-OD2 3.08Å; R1276-D1278 PolarHBondContact O-N 3.02Å; D1278-D1284 WeakPolarHBondContact CA-OD2 3.18Å; D1278-D1284 WeakPolarHBondContact CB-OD2 3.44Å; D1278-D1284 VanDerWaalsContact N-CG 3.34Å; D1278-D1284 PolarHBondContact N-OD1 3.15Å; D1278-D1284 PolarHBondContact N-OD2 3.05Å | ||
| 1279 | C | 72.7 | Confident | 64.5 | Low | 3 Ų | 3 | 79 Ų | 79 | 2% | 0.02 | 41% | 0.414 | C | S | . | . | S | Bend | 0 | 0 | 0 | -83.2 | 0 | 0 | 0 | 0 | 109.3 | C1261 D1281 A1282 D1284 | C1261-C1279 WeakPolarHBondContact CA-SG 3.28Å; C1261-C1279 HydrophobicContact CB-CB 3.22Å; C1261-C1279 WeakPolarHBondContact CB-SG 3.07Å; C1261-C1279 WeakPolarHBondContact SG-CA 3.36Å; C1261-C1279 WeakPolarHBondContact SG-CB 3.41Å; C1261-C1279 CovalentContact SG-SG 0.65Å; C1261-C1279 PolarHBondContact SG-SG 3.19Å; C1279-D1281 PolarHBondContact O-N 2.85Å; C1279-A1282 PolarHBondContact O-N 3.35Å; C1279-D1284 HydrophobicContact CB-CB 3.9Å; C1279-D1284 PolarHBondContact N-OD1 2.87Å; C1279-D1284 VanDerWaalsContact SG-CB 3.57Å | |
| 1280 | R | 70.6 | Confident | 63.6 | Low | 235 Ų | 235 | 76.5 Ų | 76.5 | 89% | 0.887 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -154.9 | 175.7 | 163.1 | 168.5 | 0.9 | 111.1 | |||
| 1281 | D | 64.4 | Low | 62.7 | Low | 96 Ų | 96 | 73.6 Ų | 73.6 | 51% | 0.513 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 20.9 | 0 | -168.7 | 9.8 | 0 | 0 | 0 | 109.6 | S1263 C1279 S1283 | S1263-D1281 PolarHBondContact OG-N 3.08Å; C1279-D1281 PolarHBondContact O-N 2.85Å; D1281-S1283 PolarHBondContact O-N 3.12Å; D1281-S1283 VanDerWaalsContact O-N 3.09Å | |
| 1282 | A | 62.4 | Low | 62.1 | Low | 18 Ų | 18 | 71.2 Ų | 71.2 | 15% | 0.149 | 38% | 0.382 | C | S | . | . | S | Bend | trans | 49.2 | 27.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q1277 C1279 D1284 E1285 T1286 | Q1277-A1282 VanDerWaalsContact CD-CB 3.42Å; Q1277-A1282 HydrophobicContact CG-CB 3.5Å; Q1277-A1282 VanDerWaalsContact CG-CB 3.5Å; C1279-A1282 PolarHBondContact O-N 3.35Å; A1282-D1284 PolarHBondContact O-N 3.05Å; A1282-E1285 PolarHBondContact O-N 3.06Å; A1282-E1285 VanDerWaalsContact O-N 3.13Å; A1282-T1286 WeakPolarHBondContact O-CG2 3.37Å; A1282-T1286 PolarHBondContact O-N 3.39Å |
| 1283 | S | 67.8 | Low | 61.9 | Low | 4 Ų | 4 | 75 Ų | 75 | 3% | 0.028 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -76.5 | 0 | -179.3 | -63.4 | 0 | 0 | 0 | 0 | 111.1 | Y1259 S1262 D1281 E1285 T1286 | Y1259-S1283 PolarHBondContact OH-O 2.95Å; S1262-S1283 WeakPolarHBondContact CA-OG 3.46Å; S1262-S1283 WeakPolarHBondContact CB-OG 3.02Å; S1262-S1283 PolarHBondContact N-OG 2.84Å; S1262-S1283 VanDerWaalsContact OG-CA 3.24Å; S1262-S1283 WeakPolarHBondContact OG-CA 3.01Å; S1262-S1283 WeakPolarHBondContact OG-CB 3.37Å; S1262-S1283 CovalentContact OG-OG 1.05Å; S1262-S1283 PolarHBondContact OG-OG 3.37Å; D1281-S1283 PolarHBondContact O-N 3.12Å; D1281-S1283 VanDerWaalsContact O-N 3.09Å; S1283-E1285 PolarHBondContact O-N 3.19Å; S1283-T1286 VanDerWaalsContact CA-OG1 3.24Å; S1283-T1286 WeakPolarHBondContact CA-OG1 3.26Å; S1283-T1286 PolarHBondContact O-N 3.23Å; S1283-T1286 PolarHBondContact O-OG1 2.71Å; S1283-T1286 VanDerWaalsContact O-OG1 3.09Å |
| 1284 | D | 70.2 | Confident | 60.9 | Low | 0 Ų | 0 | 81.4 Ų | 81.4 | 0% | 0 | 44% | 0.437 | C | S | . | . | G | 310 helix | 0 | 0 | 0 | 72.3 | -37.6 | 0 | 0 | 0 | 110.7 | Y1259 I1267 C1273 D1278 C1279 A1282 | Y1259-D1284 HydrophobicContact CD1-CB 4.4Å; Y1259-D1284 HydrophobicContact CE1-CB 4.13Å; I1267-D1284 HydrophobicContact CD1-CB 3.46Å; I1267-D1284 VanDerWaalsContact CD1-CB 3.46Å; C1273-D1284 PolarHBondContact N-O 2.86Å; D1278-D1284 WeakPolarHBondContact CA-OD2 3.18Å; D1278-D1284 WeakPolarHBondContact CB-OD2 3.44Å; D1278-D1284 VanDerWaalsContact N-CG 3.34Å; D1278-D1284 PolarHBondContact N-OD1 3.15Å; D1278-D1284 PolarHBondContact N-OD2 3.05Å; C1279-D1284 HydrophobicContact CB-CB 3.9Å; C1279-D1284 PolarHBondContact N-OD1 2.87Å; C1279-D1284 VanDerWaalsContact SG-CB 3.57Å; A1282-D1284 PolarHBondContact O-N 3.05Å | |
| 1285 | E | 71.5 | Confident | 60.6 | Low | 68 Ų | 68 | 80.4 Ų | 80.4 | 32% | 0.318 | 44% | 0.439 | S | S | . | . | G | 310 helix | 0 | 0 | 0 | -60.9 | -95.4 | 168.7 | 0 | 0 | 109.6 | G1275 R1276 A1282 S1283 | G1275-E1285 WeakPolarHBondContact CA-OE1 3.43Å; G1275-E1285 PolarHBondContact N-OE1 3.18Å; R1276-E1285 PolarHBondContact N-OE1 2.69Å; A1282-E1285 PolarHBondContact O-N 3.06Å; A1282-E1285 VanDerWaalsContact O-N 3.13Å; S1283-E1285 PolarHBondContact O-N 3.19Å | |
| 1286 | T | 62.7 | Low | 60.9 | Low | 84 Ų | 84 | 79.7 Ų | 79.7 | 52% | 0.515 | 42% | 0.418 | S | S | . | . | S | Bend | 0 | 0 | 0 | 55.5 | 0 | 0 | 0 | 0 | 108.8 | A1282 S1283 C1288 | A1282-T1286 WeakPolarHBondContact O-CG2 3.37Å; A1282-T1286 PolarHBondContact O-N 3.39Å; S1283-T1286 VanDerWaalsContact CA-OG1 3.24Å; S1283-T1286 WeakPolarHBondContact CA-OG1 3.26Å; S1283-T1286 PolarHBondContact O-N 3.23Å; S1283-T1286 PolarHBondContact O-OG1 2.71Å; S1283-T1286 VanDerWaalsContact O-OG1 3.09Å; T1286-C1288 PolarHBondContact O-N 2.97Å | |
| 1287 | G | 55.7 | Low | 61.1 | Low | 77 Ų | 77 | 73.8 Ų | 73.8 | 79% | 0.794 | 40% | 0.396 | S | S | * | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||
| 1288 | C | 56.7 | Low | 61.4 | Low | 28 Ų | 28 | 69.8 Ų | 69.8 | 19% | 0.189 | 38% | 0.378 | C | S | . | . | 0 | 120.2 | 0 | -65.5 | 0 | 0 | 0 | 0 | 109.4 | C1273 T1286 | C1273-C1288 HydrophobicContact CB-CB 3.5Å; C1273-C1288 WeakPolarHBondContact SG-CA 3.27Å; C1273-C1288 CovalentContact SG-CB 2Å; C1273-C1288 WeakPolarHBondContact SG-CB 3.17Å; C1273-C1288 CovalentContact SG-SG 2.1Å; C1273-C1288 PolarHBondContact SG-SG 2.75Å; T1286-C1288 PolarHBondContact O-N 2.97Å | |||
| 1289 | P | 50.1 | Low | 61.7 | Low | 92 Ų | 92 | 67.4 Ų | 67.4 | 60% | 0.597 | 37% | 0.365 | S | S | * | . | trans | -55.8 | 113.9 | 178 | 1.4 | 1.9 | 0 | 0 | 0 | 111.7 | R1291 | P1289-R1291 PolarHBondContact O-N 1.87Š| ||
| 1290 | P | 48.2 | Very low | 61.3 | Low | 74 Ų | 74 | 71 Ų | 71 | 48% | 0.481 | 39% | 0.39 | S | S | . | . | trans | -17.9 | 0 | 168.7 | 12.7 | 1.7 | 0 | 0 | 0 | 112 | Q1298 | P1290-Q1298 HydrophobicContact CB-CB 3.45Å; P1290-Q1298 VanDerWaalsContact CB-CB 3.45Å; P1290-Q1298 HydrophobicContact CB-CG 2.9Å; P1290-Q1298 CovalentContact CB-OE1 0.74Å; P1290-Q1298 HydrophobicContact CG-CB 4.19Å; P1290-Q1298 HydrophobicContact CG-CG 3.93Å; P1290-Q1298 PolarHBondContact O-OE1 3.12Å; P1290-Q1298 VanDerWaalsContact O-OE1 3.06Å | ||
| 1291 | R | 50.3 | Low | 61.1 | Low | 81 Ų | 81 | 62.1 Ų | 62.1 | 31% | 0.306 | 36% | 0.364 | S | S | . | . | 0 | 0 | 0 | -78.2 | -161.7 | 177.4 | 155.1 | 1.5 | 110.9 | R1272 C1273 D1274 P1289 C1304 | R1272-R1291 CovalentContact C-NH2 1.16Å; R1272-R1291 PolarHBondContact O-NE 3.46Å; R1272-R1291 PolarHBondContact O-NH1 3.44Å; R1272-R1291 CovalentContact O-NH2 0.97Å; R1272-R1291 PolarHBondContact O-NH2 3Å; C1273-R1291 CovalentContact C-CZ 1.19Å; C1273-R1291 CovalentContact C-NH1 1.2Å; C1273-R1291 HydrophobicContact CB-CB 4.44Å; C1273-R1291 HydrophobicContact CB-CG 2.99Å; C1273-R1291 CovalentContact N-NH2 1.53Å; C1273-R1291 WeakPolarHBondContact O-CB 2.56Å; C1273-R1291 CovalentContact O-CD 0.76Å; C1273-R1291 WeakPolarHBondContact O-CD 3Å; C1273-R1291 WeakPolarHBondContact O-CG 2.97Å; C1273-R1291 PolarHBondContact O-NE 2.91Å; C1273-R1291 PolarHBondContact O-NH1 3.1Å; C1273-R1291 PolarHBondContact O-NH2 3.43Å; D1274-R1291 VanDerWaalsContact CA-CD 3.44Å; D1274-R1291 CovalentContact N-NH1 0.52Å; D1274-R1291 IonicContact OD1-NH1 3.07Å; D1274-R1291 PolarHBondContact OD1-NH1 3.49Å; P1289-R1291 PolarHBondContact O-N 1.87Å; R1291-C1304 PolarHBondContact O-SG 2.86Å | |||
| 1292 | C | 54.3 | Low | 61.1 | Low | 21 Ų | 21 | 59.8 Ų | 59.8 | 14% | 0.142 | 36% | 0.363 | C | S | . | . | 0 | 117.5 | 0 | -63.9 | 0 | 0 | 0 | 0 | 109.7 | Q1296 Q1298 C1304 | C1292-Q1296 HydrophobicContact CB-CB 3.18Å; C1292-Q1296 VanDerWaalsContact CB-O 3.27Å; C1292-Q1296 WeakPolarHBondContact CB-O 3.04Å; C1292-Q1298 VanDerWaalsContact SG-CA 3.56Å; C1292-C1304 VanDerWaalsContact CA-SG 3.54Å; C1292-C1304 HydrophobicContact CB-CB 3.26Å; C1292-C1304 WeakPolarHBondContact CB-SG 2.11Å; C1292-C1304 WeakPolarHBondContact SG-CA 3.35Å; C1292-C1304 CovalentContact SG-CB 2.13Å; C1292-C1304 WeakPolarHBondContact SG-CB 3.16Å; C1292-C1304 CovalentContact SG-SG 2.03Å; C1292-C1304 PolarHBondContact SG-SG 3.19Å | |||
| 1293 | R | 53.6 | Low | 61.1 | Low | 187 Ų | 187 | 64.1 Ų | 64.1 | 71% | 0.706 | 38% | 0.38 | S | S | * | . | trans | -21.5 | 136.2 | 174.6 | -66.1 | -172.5 | 169.5 | 96.8 | -1.4 | 111.8 | G1295 Q1296 | R1293-G1295 VanDerWaalsContact C-N 3.28Å; R1293-G1295 CarbonylContact O-C 3.52Å; R1293-G1295 PolarHBondContact O-N 2.5Å; R1293-Q1296 HydrophobicContact CB-CB 4.44Å; R1293-Q1296 HydrophobicContact CB-CG 4.04Å; R1293-Q1296 WeakPolarHBondContact O-CA 3.4Å; R1293-Q1296 WeakPolarHBondContact O-CB 3.45Å; R1293-Q1296 PolarHBondContact O-N 3.29Å | ||
| 1294 | P | 49.6 | Very low | 61.3 | Low | 144 Ų | 144 | 66.5 Ų | 66.5 | 94% | 0.935 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -42.6 | 94.3 | 175.5 | -4.9 | 12.9 | 0 | 0 | 0 | 111.7 | ||
| 1295 | G | 55.5 | Low | 61.3 | Low | 30 Ų | 30 | 67.2 Ų | 67.2 | 31% | 0.309 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 126.3 | 0 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111 | R1293 E1306 Q1307 | R1293-G1295 VanDerWaalsContact C-N 3.28Å; R1293-G1295 CarbonylContact O-C 3.52Å; R1293-G1295 PolarHBondContact O-N 2.5Å; G1295-E1306 CarbonylContact O-C 3.52Å; G1295-E1306 WeakPolarHBondContact O-CA 2.58Å; G1295-Q1307 VanDerWaalsContact O-CA 3.24Å; G1295-Q1307 WeakPolarHBondContact O-CA 3.4Å; G1295-Q1307 WeakPolarHBondContact O-CB 3.23Å; G1295-Q1307 PolarHBondContact O-N 3.06Å |
| 1296 | Q | 70.4 | Confident | 61.2 | Low | 52 Ų | 52 | 68.5 Ų | 68.5 | 24% | 0.243 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -68 | -175.7 | -10.4 | 0 | 0 | 109.3 | C1292 R1293 I1305 E1306 | C1292-Q1296 HydrophobicContact CB-CB 3.18Å; C1292-Q1296 VanDerWaalsContact CB-O 3.27Å; C1292-Q1296 WeakPolarHBondContact CB-O 3.04Å; R1293-Q1296 HydrophobicContact CB-CB 4.44Å; R1293-Q1296 HydrophobicContact CB-CG 4.04Å; R1293-Q1296 WeakPolarHBondContact O-CA 3.4Å; R1293-Q1296 WeakPolarHBondContact O-CB 3.45Å; R1293-Q1296 PolarHBondContact O-N 3.29Å; Q1296-I1305 CarbonylContact C-O 3.53Å; Q1296-I1305 WeakPolarHBondContact CA-O 3.38Å; Q1296-I1305 VanDerWaalsContact CB-O 3.25Å; Q1296-I1305 WeakPolarHBondContact CB-O 3.41Å; Q1296-E1306 HydrophobicContact CG-CG 4.32Å | |
| 1297 | Y | 67.3 | Low | 61.3 | Low | 57 Ų | 57 | 70.6 Ų | 70.6 | 22% | 0.224 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 131.2 | 0 | 173.6 | -103.1 | 0 | 0 | 0 | 110.8 | C1304 I1305 R1310 S1321 D1322 | Y1297-C1304 CarbonylContact O-C 3.58Å; Y1297-C1304 WeakPolarHBondContact O-CA 3.36Å; Y1297-I1305 WeakPolarHBondContact CA-O 3.12Å; Y1297-I1305 HydrophobicContact CD1-CD1 3.63Å; Y1297-I1305 HydrophobicContact CD1-CG1 3.76Å; Y1297-I1305 HydrophobicContact CE1-CD1 4.5Å; Y1297-I1305 HydrophobicContact CG-CD1 4.45Å; Y1297-I1305 HydrophobicContact CG-CG1 4.31Å; Y1297-I1305 PolarHBondContact N-O 2.53Å; Y1297-I1305 WeakPolarHBondContact O-CG1 2.83Å; Y1297-I1305 PolarHBondContact O-N 2.66Å; Y1297-R1310 HydrophobicContact CD1-CB 4.12Å; Y1297-R1310 HydrophobicContact CD1-CG 4.13Å; Y1297-R1310 HydrophobicContact CD2-CB 4.27Å; Y1297-R1310 HydrophobicContact CD2-CG 3.92Å; Y1297-R1310 HydrophobicContact CE1-CG 4.27Å; Y1297-R1310 VanDerWaalsContact CE2-CD 3.4Å; Y1297-R1310 HydrophobicContact CE2-CG 4.05Å; Y1297-R1310 HydrophobicContact CG-CB 3.88Å; Y1297-R1310 HydrophobicContact CG-CG 3.96Å; Y1297-S1321 PolarHBondContact OH-O 2.56Å; Y1297-D1322 HydrophobicContact CD1-CB 4.49Å; Y1297-D1322 HydrophobicContact CE1-CB 4.2Å | |
| 1298 | Q | 71.7 | Confident | 61.9 | Low | 61 Ų | 61 | 73.8 Ų | 73.8 | 29% | 0.285 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 0 | 177.5 | -170.3 | 173.4 | 4.1 | 0 | 0 | 109.9 | P1290 C1292 E1303 | P1290-Q1298 HydrophobicContact CB-CB 3.45Å; P1290-Q1298 VanDerWaalsContact CB-CB 3.45Å; P1290-Q1298 HydrophobicContact CB-CG 2.9Å; P1290-Q1298 CovalentContact CB-OE1 0.74Å; P1290-Q1298 HydrophobicContact CG-CB 4.19Å; P1290-Q1298 HydrophobicContact CG-CG 3.93Å; P1290-Q1298 PolarHBondContact O-OE1 3.12Å; P1290-Q1298 VanDerWaalsContact O-OE1 3.06Å; C1292-Q1298 VanDerWaalsContact SG-CA 3.56Å; Q1298-E1303 CarbonylContact C-O 3.56Å |
| 1299 | C | 69.4 | Low | 62.5 | Low | 3 Ų | 3 | 75.8 Ų | 75.8 | 2% | 0.02 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | 0 | 0 | 0 | -76.9 | 0 | 0 | 0 | 0 | 110.9 | S1301 G1302 E1303 C1317 | C1299-S1301 PolarHBondContact O-N 3.17Å; C1299-S1301 VanDerWaalsContact O-N 3.14Å; C1299-G1302 PolarHBondContact O-N 2.59Å; C1299-E1303 HydrophobicContact CB-CB 4.33Å; C1299-E1303 WeakPolarHBondContact CB-O 3.33Å; C1299-E1303 PolarHBondContact N-O 3.3Å; C1299-C1317 WeakPolarHBondContact CA-SG 3.49Å; C1299-C1317 HydrophobicContact CB-CB 3.31Å; C1299-C1317 WeakPolarHBondContact CB-SG 3.31Å; C1299-C1317 WeakPolarHBondContact SG-CA 3.25Å; C1299-C1317 WeakPolarHBondContact SG-CB 3.3Å; C1299-C1317 CovalentContact SG-SG 0.94Å; C1299-C1317 PolarHBondContact SG-SG 2.05Å | |
| 1300 | S | 65.9 | Low | 62.8 | Low | 78 Ų | 78 | 76.7 Ų | 76.7 | 55% | 0.545 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | -18.4 | 0 | 31.3 | 0 | 0 | 0 | 0 | 111.7 | G1302 S1321 | S1300-G1302 VanDerWaalsContact C-N 3.27Å; S1300-S1321 WeakPolarHBondContact CA-OG 2.9Å; S1300-S1321 WeakPolarHBondContact CB-OG 3.37Å; S1300-S1321 PolarHBondContact N-OG 3.44Å; S1300-S1321 WeakPolarHBondContact OG-CA 3.18Å; S1300-S1321 WeakPolarHBondContact OG-CB 3.38Å; S1300-S1321 CovalentContact OG-OG 1.07Å; S1300-S1321 PolarHBondContact OG-OG 3.28Å | |
| 1301 | S | 65.8 | Low | 63.8 | Low | 49 Ų | 49 | 74.4 Ų | 74.4 | 34% | 0.343 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 0.8 | 177.2 | 62.7 | 0 | 0 | 0 | 0 | 111.3 | C1299 D1319 | C1299-S1301 PolarHBondContact O-N 3.17Å; C1299-S1301 VanDerWaalsContact O-N 3.14Å; S1301-D1319 VanDerWaalsContact CB-CB 3.42Å |
| 1302 | G | 63.3 | Low | 64.4 | Low | 47 Ų | 47 | 73.1 Ų | 73.1 | 49% | 0.485 | 39% | 0.387 | S | S | . | . | S | Bend | trans | 100.7 | 0 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | C1299 S1300 | C1299-G1302 PolarHBondContact O-N 2.59Å; S1300-G1302 VanDerWaalsContact C-N 3.27Å |
| 1303 | E | 64.3 | Low | 64.8 | Low | 109 Ų | 109 | 75.2 Ų | 75.2 | 51% | 0.509 | 41% | 0.413 | S | S | . | . | 0 | 146.5 | 0 | -47.7 | -76.9 | 167.2 | 0 | 0 | 110.2 | Q1298 C1299 | Q1298-E1303 CarbonylContact C-O 3.56Å; C1299-E1303 HydrophobicContact CB-CB 4.33Å; C1299-E1303 WeakPolarHBondContact CB-O 3.33Å; C1299-E1303 PolarHBondContact N-O 3.3Å | |||
| 1304 | C | 71.9 | Confident | 65.4 | Low | 54 Ų | 54 | 75 Ų | 75 | 37% | 0.365 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 111.7 | -178.9 | -64.9 | 0 | 0 | 0 | 0 | 109.9 | R1291 C1292 Y1297 | R1291-C1304 PolarHBondContact O-SG 2.86Å; C1292-C1304 VanDerWaalsContact CA-SG 3.54Å; C1292-C1304 HydrophobicContact CB-CB 3.26Å; C1292-C1304 WeakPolarHBondContact CB-SG 2.11Å; C1292-C1304 WeakPolarHBondContact SG-CA 3.35Å; C1292-C1304 CovalentContact SG-CB 2.13Å; C1292-C1304 WeakPolarHBondContact SG-CB 3.16Å; C1292-C1304 CovalentContact SG-SG 2.03Å; C1292-C1304 PolarHBondContact SG-SG 3.19Å; Y1297-C1304 CarbonylContact O-C 3.58Å; Y1297-C1304 WeakPolarHBondContact O-CA 3.36Å |
| 1305 | I | 69.7 | Low | 66.3 | Low | 16 Ų | 16 | 74.6 Ų | 74.6 | 8% | 0.082 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 150.2 | 177.8 | 55.6 | 167.4 | 0 | 0 | 0 | 109.3 | Q1296 Y1297 M1309 D1316 D1322 | Q1296-I1305 CarbonylContact C-O 3.53Å; Q1296-I1305 WeakPolarHBondContact CA-O 3.38Å; Q1296-I1305 VanDerWaalsContact CB-O 3.25Å; Q1296-I1305 WeakPolarHBondContact CB-O 3.41Å; Y1297-I1305 WeakPolarHBondContact CA-O 3.12Å; Y1297-I1305 HydrophobicContact CD1-CD1 3.63Å; Y1297-I1305 HydrophobicContact CD1-CG1 3.76Å; Y1297-I1305 HydrophobicContact CE1-CD1 4.5Å; Y1297-I1305 HydrophobicContact CG-CD1 4.45Å; Y1297-I1305 HydrophobicContact CG-CG1 4.31Å; Y1297-I1305 PolarHBondContact N-O 2.53Å; Y1297-I1305 WeakPolarHBondContact O-CG1 2.83Å; Y1297-I1305 PolarHBondContact O-N 2.66Å; I1305-M1309 HydrophobicContact CB-CB 3.85Å; I1305-M1309 HydrophobicContact CD1-CB 3.77Å; I1305-M1309 VanDerWaalsContact CD1-O 3.27Å; I1305-M1309 WeakPolarHBondContact CD1-O 3.39Å; I1305-M1309 HydrophobicContact CG1-CB 4.22Å; I1305-M1309 HydrophobicContact CG2-CE 4.48Å; I1305-D1316 HydrophobicContact CD1-CB 4.48Å; I1305-D1316 HydrophobicContact CG2-CB 4.2Å; I1305-D1322 HydrophobicContact CD1-CB 3.58Å |
| 1306 | E | 68.6 | Low | 66.8 | Low | 95 Ų | 95 | 75.8 Ų | 75.8 | 44% | 0.444 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 125.8 | 177.4 | -79.7 | -136.9 | 177.7 | 0 | 0 | 110.8 | G1295 Q1296 Q1308 M1309 | G1295-E1306 CarbonylContact O-C 3.52Å; G1295-E1306 WeakPolarHBondContact O-CA 2.58Å; Q1296-E1306 HydrophobicContact CG-CG 4.32Å; E1306-Q1308 HydrophobicContact CB-CG 3.74Å; E1306-Q1308 CarbonylContact O-C 3.43Å; E1306-Q1308 PolarHBondContact O-N 2.75Å; E1306-Q1308 PolarHBondContact OE2-NE2 2.82Å; E1306-M1309 HydrophobicContact CB-CG 4.13Å; E1306-M1309 WeakPolarHBondContact O-CA 3.32Å; E1306-M1309 VanDerWaalsContact O-CB 3.26Å; E1306-M1309 WeakPolarHBondContact O-CB 3.45Å; E1306-M1309 PolarHBondContact O-N 3.31Å |
| 1307 | Q | 65.7 | Low | 67 | Low | 128 Ų | 128 | 73.5 Ų | 73.5 | 60% | 0.598 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -38.5 | -23.1 | -176.6 | -137.6 | 154.3 | 23.1 | 0 | 0 | 111.6 | G1295 M1309 R1310 | G1295-Q1307 VanDerWaalsContact O-CA 3.24Å; G1295-Q1307 WeakPolarHBondContact O-CA 3.4Å; G1295-Q1307 WeakPolarHBondContact O-CB 3.23Å; G1295-Q1307 PolarHBondContact O-N 3.06Å; Q1307-M1309 PolarHBondContact O-N 3.25Å; Q1307-R1310 PolarHBondContact O-N 3.27Å |
| 1308 | Q | 68.6 | Low | 67.2 | Low | 143 Ų | 143 | 81.8 Ų | 81.8 | 67% | 0.668 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -80.2 | 0 | 179.6 | 50.1 | -174 | -7.3 | 0 | 0 | 111.1 | E1306 D1312 | E1306-Q1308 HydrophobicContact CB-CG 3.74Å; E1306-Q1308 CarbonylContact O-C 3.43Å; E1306-Q1308 PolarHBondContact O-N 2.75Å; E1306-Q1308 PolarHBondContact OE2-NE2 2.82Å; Q1308-D1312 WeakPolarHBondContact O-CB 3.48Å |
| 1309 | M | 68.1 | Low | 66.8 | Low | 70 Ų | 70 | 83.5 Ų | 83.5 | 35% | 0.345 | 43% | 0.429 | S | S | . | . | G | 310 helix | 0 | 0 | 0 | -65.6 | -113.5 | -86.6 | 0 | 0 | 109.2 | I1305 E1306 Q1307 D1312 D1316 | I1305-M1309 HydrophobicContact CB-CB 3.85Å; I1305-M1309 HydrophobicContact CD1-CB 3.77Å; I1305-M1309 VanDerWaalsContact CD1-O 3.27Å; I1305-M1309 WeakPolarHBondContact CD1-O 3.39Å; I1305-M1309 HydrophobicContact CG1-CB 4.22Å; I1305-M1309 HydrophobicContact CG2-CE 4.48Å; E1306-M1309 HydrophobicContact CB-CG 4.13Å; E1306-M1309 WeakPolarHBondContact O-CA 3.32Å; E1306-M1309 VanDerWaalsContact O-CB 3.26Å; E1306-M1309 WeakPolarHBondContact O-CB 3.45Å; E1306-M1309 PolarHBondContact O-N 3.31Å; Q1307-M1309 PolarHBondContact O-N 3.25Å; M1309-D1312 WeakPolarHBondContact CA-OD2 3.22Å; M1309-D1316 HydrophobicContact CE-CB 4.42Å | |
| 1310 | R | 56.9 | Low | 66.4 | Low | 112 Ų | 112 | 84.4 Ų | 84.4 | 42% | 0.423 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 111.1 | 0 | -174.6 | -178.8 | -175 | -130.2 | 1.6 | 109.6 | Y1297 Q1307 | Y1297-R1310 HydrophobicContact CD1-CB 4.12Å; Y1297-R1310 HydrophobicContact CD1-CG 4.13Å; Y1297-R1310 HydrophobicContact CD2-CB 4.27Å; Y1297-R1310 HydrophobicContact CD2-CG 3.92Å; Y1297-R1310 HydrophobicContact CE1-CG 4.27Å; Y1297-R1310 VanDerWaalsContact CE2-CD 3.4Å; Y1297-R1310 HydrophobicContact CE2-CG 4.05Å; Y1297-R1310 HydrophobicContact CG-CB 3.88Å; Y1297-R1310 HydrophobicContact CG-CG 3.96Å; Q1307-R1310 PolarHBondContact O-N 3.27Å | |
| 1311 | C | 69.9 | Low | 66.6 | Low | 25 Ų | 25 | 81 Ų | 81 | 17% | 0.169 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 37.7 | 175.5 | -68.1 | 0 | 0 | 0 | 0 | 110.6 | C1326 | C1311-C1326 HydrophobicContact CB-CB 4.32Å; C1311-C1326 WeakPolarHBondContact SG-CB 3.21Å; C1311-C1326 CovalentContact SG-SG 2.06Å; C1311-C1326 PolarHBondContact SG-SG 3.05Å |
| 1312 | D | 61.6 | Low | 66.8 | Low | 54 Ų | 54 | 78.6 Ų | 78.6 | 29% | 0.289 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -105.2 | 0 | -179.2 | 64.1 | -13 | 0 | 0 | 0 | 109.6 | Q1308 M1309 R1314 | Q1308-D1312 WeakPolarHBondContact O-CB 3.48Å; M1309-D1312 WeakPolarHBondContact CA-OD2 3.22Å; D1312-R1314 VanDerWaalsContact C-N 3.28Å; D1312-R1314 PolarHBondContact O-N 1.76Å; D1312-R1314 PolarHBondContact OD1-N 2.54Å |
| 1313 | G | 64.3 | Low | 67.1 | Low | 66 Ų | 66 | 79.9 Ų | 79.9 | 68% | 0.68 | 39% | 0.389 | S | S | * | . | S | Bend | 0 | 6.5 | 0 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1323 | G1313-E1323 WeakPolarHBondContact CA-OE1 2.88Å; G1313-E1323 PolarHBondContact N-OE1 3.32Å | |
| 1314 | R | 64.8 | Low | 66.9 | Low | 181 Ų | 181 | 79 Ų | 79 | 68% | 0.683 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -126.9 | 130.4 | 175.4 | -70.6 | -167.7 | -106.8 | -134 | 2 | 109.2 | D1312 D1316 E1323 | D1312-R1314 VanDerWaalsContact C-N 3.28Å; D1312-R1314 PolarHBondContact O-N 1.76Å; D1312-R1314 PolarHBondContact OD1-N 2.54Å; R1314-D1316 PolarHBondContact O-N 3.26Å; R1314-D1316 VanDerWaalsContact O-N 3.16Å; R1314-E1323 PolarHBondContact N-OE1 2.64Å |
| 1315 | Q | 69.9 | Low | 66 | Low | 137 Ų | 137 | 80.1 Ų | 80.1 | 64% | 0.64 | 41% | 0.411 | S | S | * | . | trans | -66.9 | 96.4 | 172.8 | -148.7 | -178.4 | 20.9 | 0 | 0 | 110.9 | A1320 | Q1315-A1320 VanDerWaalsContact CD-CB 3.5Å; Q1315-A1320 HydrophobicContact CG-CB 3.58Å | ||
| 1316 | D | 65.1 | Low | 65.3 | Low | 54 Ų | 54 | 81.1 Ų | 81.1 | 29% | 0.289 | 42% | 0.419 | S | S | . | . | trans | -101.4 | 0 | -177 | -64.7 | -48.5 | 0 | 0 | 0 | 110.1 | I1305 M1309 R1314 D1322 | I1305-D1316 HydrophobicContact CD1-CB 4.48Å; I1305-D1316 HydrophobicContact CG2-CB 4.2Å; M1309-D1316 HydrophobicContact CE-CB 4.42Å; R1314-D1316 PolarHBondContact O-N 3.26Å; R1314-D1316 VanDerWaalsContact O-N 3.16Å; D1316-D1322 WeakPolarHBondContact CA-OD2 3.39Å; D1316-D1322 VanDerWaalsContact CB-OD2 3.24Å; D1316-D1322 WeakPolarHBondContact CB-OD2 2.82Å; D1316-D1322 PolarHBondContact N-OD1 3.09Å; D1316-D1322 PolarHBondContact N-OD2 2.8Å | ||
| 1317 | C | 74.1 | Confident | 64 | Low | 4 Ų | 4 | 87.4 Ų | 87.4 | 3% | 0.027 | 44% | 0.439 | C | S | . | . | S | Bend | 0 | 139.4 | 0 | -74.3 | 0 | 0 | 0 | 0 | 109.6 | C1299 D1319 A1320 D1322 | C1299-C1317 WeakPolarHBondContact CA-SG 3.49Å; C1299-C1317 HydrophobicContact CB-CB 3.31Å; C1299-C1317 WeakPolarHBondContact CB-SG 3.31Å; C1299-C1317 WeakPolarHBondContact SG-CA 3.25Å; C1299-C1317 WeakPolarHBondContact SG-CB 3.3Å; C1299-C1317 CovalentContact SG-SG 0.94Å; C1299-C1317 PolarHBondContact SG-SG 2.05Å; C1317-D1319 PolarHBondContact O-N 3.44Å; C1317-A1320 PolarHBondContact O-N 3.3Å; C1317-D1322 HydrophobicContact CB-CB 3.99Å; C1317-D1322 WeakPolarHBondContact SG-CB 3.29Å | |
| 1318 | R | 71 | Confident | 62.6 | Low | 231 Ų | 231 | 87.3 Ų | 87.3 | 87% | 0.872 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 0 | -178.4 | -149.5 | 176.4 | -177.1 | 171.5 | 0.4 | 111.2 | ||
| 1319 | D | 63.7 | Low | 61.3 | Low | 98 Ų | 98 | 88.4 Ų | 88.4 | 52% | 0.524 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 23.7 | 0 | -169.6 | 9.3 | 0 | 0 | 0 | 109.5 | S1301 C1317 S1321 | S1301-D1319 VanDerWaalsContact CB-CB 3.42Å; C1317-D1319 PolarHBondContact O-N 3.44Å; D1319-S1321 PolarHBondContact O-N 3.2Å | |
| 1320 | A | 62.2 | Low | 60.4 | Low | 21 Ų | 21 | 86 Ų | 86 | 17% | 0.174 | 43% | 0.426 | C | S | . | . | S | Bend | trans | 48.3 | 24.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q1315 C1317 D1322 E1323 T1324 | Q1315-A1320 VanDerWaalsContact CD-CB 3.5Å; Q1315-A1320 HydrophobicContact CG-CB 3.58Å; C1317-A1320 PolarHBondContact O-N 3.3Å; A1320-D1322 PolarHBondContact O-N 3.48Å; A1320-E1323 PolarHBondContact O-N 3.38Å; A1320-E1323 VanDerWaalsContact O-N 3.13Å; A1320-T1324 VanDerWaalsContact O-CG2 3.32Å; A1320-T1324 WeakPolarHBondContact O-CG2 2.99Å |
| 1321 | S | 68.9 | Low | 60.6 | Low | 6 Ų | 6 | 84.6 Ų | 84.6 | 4% | 0.042 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -71.1 | 0 | -179.6 | -66.4 | 0 | 0 | 0 | 0 | 111 | Y1297 S1300 D1319 E1323 T1324 | Y1297-S1321 PolarHBondContact OH-O 2.56Å; S1300-S1321 WeakPolarHBondContact CA-OG 2.9Å; S1300-S1321 WeakPolarHBondContact CB-OG 3.37Å; S1300-S1321 PolarHBondContact N-OG 3.44Å; S1300-S1321 WeakPolarHBondContact OG-CA 3.18Å; S1300-S1321 WeakPolarHBondContact OG-CB 3.38Å; S1300-S1321 CovalentContact OG-OG 1.07Å; S1300-S1321 PolarHBondContact OG-OG 3.28Å; D1319-S1321 PolarHBondContact O-N 3.2Å; S1321-E1323 PolarHBondContact O-N 3.11Å; S1321-T1324 WeakPolarHBondContact CA-OG1 3.41Å; S1321-T1324 PolarHBondContact O-N 3.22Å; S1321-T1324 PolarHBondContact O-OG1 2.65Å |
| 1322 | D | 69.6 | Low | 61 | Low | 0 Ų | 0 | 83.8 Ų | 83.8 | 0% | 0 | 42% | 0.42 | C | S | . | . | G | 310 helix | 0 | 0 | 0 | 75.6 | -32.7 | 0 | 0 | 0 | 110.7 | Y1297 I1305 D1316 C1317 A1320 | Y1297-D1322 HydrophobicContact CD1-CB 4.49Å; Y1297-D1322 HydrophobicContact CE1-CB 4.2Å; I1305-D1322 HydrophobicContact CD1-CB 3.58Å; D1316-D1322 WeakPolarHBondContact CA-OD2 3.39Å; D1316-D1322 VanDerWaalsContact CB-OD2 3.24Å; D1316-D1322 WeakPolarHBondContact CB-OD2 2.82Å; D1316-D1322 PolarHBondContact N-OD1 3.09Å; D1316-D1322 PolarHBondContact N-OD2 2.8Å; C1317-D1322 HydrophobicContact CB-CB 3.99Å; C1317-D1322 WeakPolarHBondContact SG-CB 3.29Å; A1320-D1322 PolarHBondContact O-N 3.48Å | |
| 1323 | E | 70.3 | Confident | 62.1 | Low | 74 Ų | 74 | 88.2 Ų | 88.2 | 35% | 0.346 | 43% | 0.433 | S | S | . | . | G | 310 helix | 0 | 0 | 0 | -61.6 | -99.4 | 168 | 0 | 0 | 109.7 | G1313 R1314 A1320 S1321 | G1313-E1323 WeakPolarHBondContact CA-OE1 2.88Å; G1313-E1323 PolarHBondContact N-OE1 3.32Å; R1314-E1323 PolarHBondContact N-OE1 2.64Å; A1320-E1323 PolarHBondContact O-N 3.38Å; A1320-E1323 VanDerWaalsContact O-N 3.13Å; S1321-E1323 PolarHBondContact O-N 3.11Å | |
| 1324 | T | 59.3 | Low | 63.1 | Low | 91 Ų | 91 | 85.9 Ų | 85.9 | 56% | 0.558 | 41% | 0.406 | S | S | * | . | S | Bend | 0 | 0 | 0 | 53.4 | 0 | 0 | 0 | 0 | 109.1 | A1320 S1321 | A1320-T1324 VanDerWaalsContact O-CG2 3.32Å; A1320-T1324 WeakPolarHBondContact O-CG2 2.99Å; S1321-T1324 WeakPolarHBondContact CA-OG1 3.41Å; S1321-T1324 PolarHBondContact O-N 3.22Å; S1321-T1324 PolarHBondContact O-OG1 2.65Å | |
| 1325 | G | 53.3 | Low | 63.8 | Low | 76 Ų | 76 | 80.5 Ų | 80.5 | 78% | 0.784 | 39% | 0.393 | S | S | * | . | S | Bend | 0 | 21.8 | 0 | 0 | 0 | 0 | 0 | 0 | 111.8 | R1327 | G1325-R1327 PolarHBondContact O-N 3.01Š| |
| 1326 | C | 55.8 | Low | 64.6 | Low | 37 Ų | 37 | 76.7 Ų | 76.7 | 25% | 0.25 | 38% | 0.38 | C | S | . | . | trans | -83.1 | 0 | 168.7 | -63.4 | 0 | 0 | 0 | 0 | 109.5 | C1311 E1328 | C1311-C1326 HydrophobicContact CB-CB 4.32Å; C1311-C1326 WeakPolarHBondContact SG-CB 3.21Å; C1311-C1326 CovalentContact SG-SG 2.06Å; C1311-C1326 PolarHBondContact SG-SG 3.05Å; C1326-E1328 VanDerWaalsContact O-CA 3.24Å; C1326-E1328 WeakPolarHBondContact O-CA 2.99Å; C1326-E1328 PolarHBondContact O-N 3.13Å | ||
| 1327 | R | 41.2 | Very low | 65.2 | Low | 228 Ų | 228 | 79.1 Ų | 79.1 | 86% | 0.86 | 39% | 0.393 | S | S | * | . | 0 | 71.5 | 0 | -99.4 | -177.1 | 174.8 | 169.4 | 0.5 | 111.5 | G1325 R1329 | G1325-R1327 PolarHBondContact O-N 3.01Å; R1327-R1329 WeakPolarHBondContact O-CA 3.42Å; R1327-R1329 PolarHBondContact O-N 3.13Å | |||
| 1328 | E | 36.7 | Very low | 65.6 | Low | 126 Ų | 126 | 81.5 Ų | 81.5 | 59% | 0.589 | 41% | 0.407 | S | S | * | . | trans | 10.2 | 75.1 | 166.8 | -114.2 | 177.8 | -179.4 | 0 | 0 | 111.6 | C1326 V1330 G1355 | C1326-E1328 VanDerWaalsContact O-CA 3.24Å; C1326-E1328 WeakPolarHBondContact O-CA 2.99Å; C1326-E1328 PolarHBondContact O-N 3.13Å; E1328-V1330 HydrophobicContact CB-CG2 4.27Å; E1328-V1330 VanDerWaalsContact O-CA 3.28Å; E1328-V1330 WeakPolarHBondContact O-CA 3.06Å; E1328-V1330 WeakPolarHBondContact O-CG2 3.14Å; E1328-V1330 PolarHBondContact O-N 3.01Å; E1328-G1355 WeakPolarHBondContact CB-O 3.39Å; E1328-G1355 VanDerWaalsContact CG-O 3.23Å; E1328-G1355 WeakPolarHBondContact CG-O 3.35Å | ||
| 1329 | R | 40.6 | Very low | 66.3 | Low | 165 Ų | 165 | 71.2 Ų | 71.2 | 62% | 0.623 | 37% | 0.369 | S | S | * | . | trans | -29.4 | 69.1 | 174.4 | -86.9 | -177.2 | 173.7 | 179.1 | 0.7 | 110.8 | R1327 N1331 | R1327-R1329 WeakPolarHBondContact O-CA 3.42Å; R1327-R1329 PolarHBondContact O-N 3.13Å; R1329-N1331 PolarHBondContact O-N 3.02Å | ||
| 1330 | V | 50 | Low | 67.3 | Low | 20 Ų | 20 | 75.3 Ų | 75.3 | 12% | 0.121 | 38% | 0.379 | C | S | . | . | trans | -51.1 | 89.3 | 165.9 | -178.2 | 0 | 0 | 0 | 0 | 108.8 | E1328 V1353 L1354 A1356 F1407 | E1328-V1330 HydrophobicContact CB-CG2 4.27Å; E1328-V1330 VanDerWaalsContact O-CA 3.28Å; E1328-V1330 WeakPolarHBondContact O-CA 3.06Å; E1328-V1330 WeakPolarHBondContact O-CG2 3.14Å; E1328-V1330 PolarHBondContact O-N 3.01Å; V1330-V1353 HydrophobicContact CB-CG1 4.12Å; V1330-V1353 HydrophobicContact CG1-CB 4.11Å; V1330-V1353 HydrophobicContact CG1-CG1 2.6Å; V1330-L1354 CarbonylContact C-O 3.44Å; V1330-L1354 WeakPolarHBondContact CA-O 3.15Å; V1330-A1356 HydrophobicContact CB-CB 3.86Å; V1330-A1356 HydrophobicContact CG1-CB 3.54Å; V1330-A1356 HydrophobicContact CG2-CB 2.96Å; V1330-F1407 HydrophobicContact CB-CE1 3.85Å; V1330-F1407 HydrophobicContact CB-CE2 3.86Å; V1330-F1407 HydrophobicContact CB-CZ 3.23Å; V1330-F1407 HydrophobicContact CG1-CD1 3.89Å; V1330-F1407 HydrophobicContact CG1-CD2 4.18Å; V1330-F1407 HydrophobicContact CG1-CE1 3.2Å; V1330-F1407 HydrophobicContact CG1-CE2 3.55Å; V1330-F1407 HydrophobicContact CG1-CG 4.33Å; V1330-F1407 HydrophobicContact CG1-CZ 3.01Å; V1330-F1407 HydrophobicContact CG2-CE2 4.42Å; V1330-F1407 HydrophobicContact CG2-CZ 4.24Å | ||
| 1331 | N | 61.5 | Low | 68.4 | Low | 82 Ų | 82 | 74.5 Ų | 74.5 | 44% | 0.439 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 138 | 177.7 | -122.3 | -0.8 | 0 | 0 | 0 | 110.6 | R1329 V1353 L1354 | R1329-N1331 PolarHBondContact O-N 3.02Å; N1331-V1353 CarbonylContact O-C 3.55Å; N1331-V1353 WeakPolarHBondContact O-CA 3.45Å; N1331-L1354 PolarHBondContact N-O 3.4Å; N1331-L1354 VanDerWaalsContact N-O 3.12Å; N1331-L1354 PolarHBondContact O-N 3.07Å |
| 1332 | I | 77.8 | Confident | 68.9 | Low | 8 Ų | 8 | 76 Ų | 76 | 4% | 0.041 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 109.4 | 176.4 | -64.3 | 172.7 | 0 | 0 | 0 | 109.1 | V1334 S1352 C1405 F1407 P1411 E1413 | I1332-V1334 HydrophobicContact CG2-CG2 3.95Å; I1332-S1352 CarbonylContact C-O 3.53Å; I1332-S1352 VanDerWaalsContact CA-O 3.29Å; I1332-S1352 WeakPolarHBondContact CA-O 2.7Å; I1332-C1405 WeakPolarHBondContact CD1-O 3.35Å; I1332-C1405 HydrophobicContact CG2-CB 3.52Å; I1332-C1405 WeakPolarHBondContact CG2-SG 1.75Å; I1332-F1407 HydrophobicContact CD1-CD1 3.8Å; I1332-F1407 HydrophobicContact CD1-CE1 4.02Å; I1332-F1407 HydrophobicContact CG1-CD1 3.74Å; I1332-F1407 HydrophobicContact CG1-CE1 3.77Å; I1332-P1411 VanDerWaalsContact CD1-C 3.48Å; I1332-P1411 WeakPolarHBondContact CD1-O 3.28Å; I1332-E1413 HydrophobicContact CB-CB 4.15Å; I1332-E1413 HydrophobicContact CB-CG 3.84Å; I1332-E1413 HydrophobicContact CG2-CB 3.9Å; I1332-E1413 HydrophobicContact CG2-CG 4.14Å |
| 1333 | R | 83.7 | Confident | 69.3 | Low | 148 Ų | 148 | 76.4 Ų | 76.4 | 56% | 0.558 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 116.7 | 173.6 | -176.6 | 179.2 | -179.8 | -166.4 | -1.1 | 110.6 | V1335 S1352 L1354 | R1333-V1335 HydrophobicContact CG-CG2 3.75Å; R1333-S1352 PolarHBondContact N-O 2.93Å; R1333-S1352 PolarHBondContact O-N 2.59Å; R1333-L1354 HydrophobicContact CB-CD1 3.67Å; R1333-L1354 HydrophobicContact CB-CG 4.02Å; R1333-L1354 HydrophobicContact CG-CD1 4.37Å |
| 1334 | V | 85.5 | Confident | 69.6 | Low | 16 Ų | 16 | 74.1 Ų | 74.1 | 10% | 0.097 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 114.8 | 175.8 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | I1332 P1336 D1337 F1349 E1350 C1405 E1413 I1415 | I1332-V1334 HydrophobicContact CG2-CG2 3.95Å; V1334-P1336 WeakPolarHBondContact CG1-O 3.36Å; V1334-P1336 CarbonylContact O-C 3.38Å; V1334-D1337 PolarHBondContact O-N 3.19Å; V1334-F1349 HydrophobicContact CG1-CD2 3.67Å; V1334-F1349 HydrophobicContact CG1-CE2 4.26Å; V1334-F1349 HydrophobicContact CG1-CG 4.42Å; V1334-E1350 CarbonylContact C-O 3.51Å; V1334-E1350 WeakPolarHBondContact CA-O 2.71Å; V1334-C1405 HydrophobicContact CG2-CB 3.75Å; V1334-E1413 HydrophobicContact CG2-CB 3.98Å; V1334-I1415 HydrophobicContact CB-CD1 2.9Å; V1334-I1415 HydrophobicContact CB-CG1 3.7Å; V1334-I1415 HydrophobicContact CG1-CB 3.9Å; V1334-I1415 CovalentContact CG1-CD1 1.49Å; V1334-I1415 HydrophobicContact CG1-CD1 1.49Å; V1334-I1415 HydrophobicContact CG1-CG1 2.68Å; V1334-I1415 HydrophobicContact CG2-CD1 3.57Å; V1334-I1415 HydrophobicContact CG2-CG1 4.36Å |
| 1335 | V | 80.4 | Confident | 70.7 | Confident | 68 Ų | 68 | 74.5 Ų | 74.5 | 41% | 0.412 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 119.3 | -179.6 | -177 | 0 | 0 | 0 | 0 | 109.1 | R1333 F1349 E1350 | R1333-V1335 HydrophobicContact CG-CG2 3.75Å; V1335-F1349 WeakPolarHBondContact O-CA 3.49Å; V1335-E1350 PolarHBondContact N-O 2.73Å; V1335-E1350 PolarHBondContact O-N 3.13Å |
| 1336 | P | 85.6 | Confident | 72.1 | Confident | 57 Ų | 57 | 78.4 Ų | 78.4 | 37% | 0.37 | 36% | 0.356 | S | S | . | . | S | Bend | cis | -79.3 | 0 | -9.5 | 24.1 | -24.6 | 0 | 0 | 0 | 111.6 | V1334 V1338 I1339 I1415 | V1334-P1336 WeakPolarHBondContact CG1-O 3.36Å; V1334-P1336 CarbonylContact O-C 3.38Å; P1336-V1338 VanDerWaalsContact C-N 3.35Å; P1336-I1339 HydrophobicContact CG-CD1 4.24Å; P1336-I1339 HydrophobicContact CG-CG1 3.73Å; P1336-I1415 WeakPolarHBondContact O-CD1 3.03Å |
| 1337 | D | 77.2 | Confident | 73.7 | Confident | 106 Ų | 106 | 77.5 Ų | 77.5 | 57% | 0.567 | 35% | 0.347 | S | S | * | . | S | Bend | 0 | -8.6 | 0 | 52.3 | -16.4 | 0 | 0 | 0 | 109.7 | V1334 I1415 | V1334-D1337 PolarHBondContact O-N 3.19Å; D1337-I1415 WeakPolarHBondContact O-CA 3.48Å; D1337-I1415 VanDerWaalsContact O-CG1 3.27Å; D1337-I1415 WeakPolarHBondContact O-CG1 2.82Å | |
| 1338 | V | 83.8 | Confident | 75.9 | Confident | 53 Ų | 53 | 72.9 Ų | 72.9 | 32% | 0.321 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 132.7 | 172.2 | 179.7 | 0 | 0 | 0 | 0 | 108.2 | P1336 Y1340 D1416 F1418 | P1336-V1338 VanDerWaalsContact C-N 3.35Å; V1338-Y1340 HydrophobicContact CG1-CD2 4.17Å; V1338-Y1340 HydrophobicContact CG1-CE2 3.61Å; V1338-D1416 WeakPolarHBondContact CA-O 3.44Å; V1338-F1418 HydrophobicContact CG1-CD2 3.92Å; V1338-F1418 HydrophobicContact CG1-CE2 3.94Å |
| 1339 | I | 86.3 | Confident | 78.6 | Confident | 16 Ų | 16 | 67 Ų | 67 | 8% | 0.082 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 120.7 | 179.7 | -65 | 171.6 | 0 | 0 | 0 | 108.8 | P1336 W1347 F1349 D1416 V1417 F1418 | P1336-I1339 HydrophobicContact CG-CD1 4.24Å; P1336-I1339 HydrophobicContact CG-CG1 3.73Å; I1339-W1347 HydrophobicContact CD1-CD2 4.32Å; I1339-W1347 HydrophobicContact CD1-CE3 3.58Å; I1339-W1347 HydrophobicContact CD1-CZ3 4.15Å; I1339-W1347 HydrophobicContact CG2-CB 3.94Å; I1339-W1347 HydrophobicContact CG2-CD2 4.45Å; I1339-W1347 HydrophobicContact CG2-CG 4.13Å; I1339-F1349 HydrophobicContact CD1-CB 3.9Å; I1339-F1349 HydrophobicContact CD1-CD1 4.3Å; I1339-D1416 PolarHBondContact N-O 2.75Å; I1339-D1416 VanDerWaalsContact N-O 3.08Å; I1339-V1417 HydrophobicContact CB-CG1 4.22Å; I1339-V1417 HydrophobicContact CB-CG2 4.13Å; I1339-V1417 HydrophobicContact CD1-CG2 4.36Å; I1339-V1417 HydrophobicContact CG2-CG1 4.21Å; I1339-V1417 CarbonylContact O-C 2.95Å; I1339-V1417 WeakPolarHBondContact O-CA 3.16Å; I1339-F1418 PolarHBondContact O-N 3.2Å |
| 1340 | Y | 84.6 | Confident | 80.9 | Confident | 183 Ų | 183 | 62.7 Ų | 62.7 | 72% | 0.718 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 114.7 | 168.8 | -65.8 | -88.5 | 0 | 0 | 0 | 109.5 | V1338 F1418 | V1338-Y1340 HydrophobicContact CG1-CD2 4.17Å; V1338-Y1340 HydrophobicContact CG1-CE2 3.61Å; Y1340-F1418 CarbonylContact C-O 3.59Å; Y1340-F1418 WeakPolarHBondContact CA-O 3.44Å; Y1340-F1418 HydrophobicContact CD1-CB 3.75Å; Y1340-F1418 HydrophobicContact CD1-CD2 4.28Å; Y1340-F1418 HydrophobicContact CD1-CG 4.34Å; Y1340-F1418 HydrophobicContact CE1-CB 4.01Å; Y1340-F1418 AromaticContact CE1-CD2 3.85Å; Y1340-F1418 HydrophobicContact CE1-CD2 3.85Å; Y1340-F1418 HydrophobicContact CE1-CG 4.11Å |
| 1341 | T | 84 | Confident | 82.9 | Confident | 4 Ų | 4 | 61.7 Ų | 61.7 | 3% | 0.025 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 157.8 | -177.9 | 179.8 | 0 | 0 | 0 | 0 | 109.7 | E1345 V1417 F1418 V1419 R1420 | T1341-E1345 WeakPolarHBondContact OG1-CB 3.34Å; T1341-E1345 PolarHBondContact OG1-O 2.93Å; T1341-E1345 PolarHBondContact OG1-OE2 3.06Å; T1341-V1417 HydrophobicContact CG2-CG1 3.6Å; T1341-F1418 PolarHBondContact N-O 3.14Å; T1341-V1419 HydrophobicContact CG2-CG2 3.89Å; T1341-V1419 VanDerWaalsContact O-CA 3.24Å; T1341-V1419 WeakPolarHBondContact O-CA 3.43Å; T1341-R1420 PolarHBondContact O-N 2.88Å |
| 1342 | Q | 80.8 | Confident | 84 | Confident | 38 Ų | 38 | 58.5 Ų | 58.5 | 18% | 0.178 | 27% | 0.27 | C | S | . | . | trans | -93.1 | 0 | 172.5 | -60.5 | -71.7 | -18.8 | 0 | 0 | 110.1 | Y1344 E1345 R1422 | Q1342-Y1344 PolarHBondContact O-N 2.98Å; Q1342-E1345 HydrophobicContact CB-CB 4.31Å; Q1342-E1345 WeakPolarHBondContact CB-OE2 3.38Å; Q1342-E1345 PolarHBondContact N-OE2 3.26Å; Q1342-E1345 WeakPolarHBondContact O-CB 3.38Å; Q1342-E1345 PolarHBondContact O-N 3.02Å; Q1342-R1422 VanDerWaalsContact CB-NH2 3.33Å; Q1342-R1422 CovalentContact CD-NH2 1.63Å | ||
| 1343 | P | 76.1 | Confident | 84.2 | Confident | 8 Ų | 8 | 58.2 Ų | 58.2 | 5% | 0.052 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -22.1 | 30.2 | 0 | 0 | 0 | 112 | E1345 L1394 E1396 V1419 R1420 M1429 | P1343-E1345 VanDerWaalsContact C-N 3.33Å; P1343-E1345 PolarHBondContact O-N 3.04Å; P1343-L1394 VanDerWaalsContact CA-O 3.25Å; P1343-L1394 WeakPolarHBondContact CA-O 2.69Å; P1343-E1396 HydrophobicContact CB-CG 4.02Å; P1343-E1396 HydrophobicContact CG-CG 3.22Å; P1343-E1396 WeakPolarHBondContact CG-OE1 3.21Å; P1343-V1419 HydrophobicContact CB-CG1 4.5Å; P1343-V1419 HydrophobicContact CG-CG1 3.9Å; P1343-R1420 WeakPolarHBondContact CD-O 3.09Å; P1343-M1429 HydrophobicContact CB-CB 4.08Å; P1343-M1429 HydrophobicContact CB-CE 2.65Å; P1343-M1429 HydrophobicContact CB-CG 4.43Å; P1343-M1429 HydrophobicContact CB-SD 3.99Å; P1343-M1429 HydrophobicContact CG-CB 4.2Å; P1343-M1429 HydrophobicContact CG-CE 2.98Å; P1343-M1429 HydrophobicContact CG-SD 3.83Å; P1343-M1429 WeakPolarHBondContact O-CE 3.25Å | |
| 1344 | Y | 77.8 | Confident | 83.7 | Confident | 26 Ų | 26 | 55.1 Ų | 55.1 | 10% | 0.102 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -66.4 | -75.1 | 0 | 0 | 0 | 110.4 | Q1342 L1394 M1429 C1430 K1431 P1457 Y1458 | Q1342-Y1344 PolarHBondContact O-N 2.98Å; Y1344-L1394 PolarHBondContact N-O 3.24Å; Y1344-L1394 VanDerWaalsContact N-O 3.14Å; Y1344-M1429 HydrophobicContact CD2-CE 3.96Å; Y1344-M1429 VanDerWaalsContact CE2-C 3.49Å; Y1344-M1429 WeakPolarHBondContact CE2-O 3.47Å; Y1344-M1429 PolarHBondContact OH-O 2.85Å; Y1344-C1430 WeakPolarHBondContact CD2-O 3.38Å; Y1344-C1430 WeakPolarHBondContact CE2-O 2.59Å; Y1344-K1431 HydrophobicContact CD1-CB 3.85Å; Y1344-K1431 HydrophobicContact CD1-CG 3.98Å; Y1344-K1431 VanDerWaalsContact CD2-CA 3.42Å; Y1344-K1431 HydrophobicContact CD2-CB 4.36Å; Y1344-K1431 HydrophobicContact CE1-CB 3.93Å; Y1344-K1431 VanDerWaalsContact CE2-CA 3.49Å; Y1344-K1431 HydrophobicContact CE2-CB 4.44Å; Y1344-K1431 HydrophobicContact CG-CB 4.08Å; Y1344-K1431 HydrophobicContact CG-CG 4.1Å; Y1344-K1431 VanDerWaalsContact CZ-N 3.26Å; Y1344-P1457 HydrophobicContact CD1-CG 4.41Å; Y1344-P1457 HydrophobicContact CE1-CG 4.39Å; Y1344-Y1458 WeakPolarHBondContact OH-CD2 3.44Å; Y1344-Y1458 WeakPolarHBondContact OH-CE2 3.28Å | |
| 1345 | E | 83 | Confident | 82.8 | Confident | 99 Ų | 99 | 56.1 Ų | 56.1 | 46% | 0.463 | 28% | 0.277 | S | S | . | . | trans | -84 | 123.4 | -179.8 | -170.2 | 178.2 | -171.4 | 0 | 0 | 110.2 | T1341 Q1342 P1343 G1393 | T1341-E1345 WeakPolarHBondContact OG1-CB 3.34Å; T1341-E1345 PolarHBondContact OG1-O 2.93Å; T1341-E1345 PolarHBondContact OG1-OE2 3.06Å; Q1342-E1345 HydrophobicContact CB-CB 4.31Å; Q1342-E1345 WeakPolarHBondContact CB-OE2 3.38Å; Q1342-E1345 PolarHBondContact N-OE2 3.26Å; Q1342-E1345 WeakPolarHBondContact O-CB 3.38Å; Q1342-E1345 PolarHBondContact O-N 3.02Å; P1343-E1345 VanDerWaalsContact C-N 3.33Å; P1343-E1345 PolarHBondContact O-N 3.04Å; E1345-G1393 VanDerWaalsContact O-CA 3.26Å; E1345-G1393 WeakPolarHBondContact O-CA 2.63Å | ||
| 1346 | R | 82.2 | Confident | 82 | Confident | 159 Ų | 159 | 53.6 Ų | 53.6 | 60% | 0.6 | 26% | 0.263 | S | S | * | . | trans | -66.3 | 140 | -179.1 | -67.2 | -175.8 | 178.7 | 174.6 | -0.3 | 110.8 | I1391 | R1346-I1391 WeakPolarHBondContact CD-O 3.05Å; R1346-I1391 VanDerWaalsContact CG-O 3.31Å; R1346-I1391 WeakPolarHBondContact CG-O 3.14Å; R1346-I1391 PolarHBondContact NE-O 2.92Å | ||
| 1347 | W | 88.3 | Confident | 81.2 | Confident | 18 Ų | 18 | 57 Ų | 57 | 7% | 0.068 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 154.9 | 175.9 | 46.7 | -94.1 | 0 | 0 | 0 | 109.2 | I1339 F1349 F1376 A1390 L1394 F1403 V1417 | I1339-W1347 HydrophobicContact CD1-CD2 4.32Å; I1339-W1347 HydrophobicContact CD1-CE3 3.58Å; I1339-W1347 HydrophobicContact CD1-CZ3 4.15Å; I1339-W1347 HydrophobicContact CG2-CB 3.94Å; I1339-W1347 HydrophobicContact CG2-CD2 4.45Å; I1339-W1347 HydrophobicContact CG2-CG 4.13Å; W1347-F1349 HydrophobicContact CE3-CD1 4.27Å; W1347-F1349 AromaticContact CZ3-CD1 3.69Å; W1347-F1349 HydrophobicContact CZ3-CD1 3.69Å; W1347-F1349 AromaticContact CZ3-CE1 3.91Å; W1347-F1349 HydrophobicContact CZ3-CE1 3.91Å; W1347-F1376 HydrophobicContact CH2-CD1 4.47Å; W1347-F1376 AromaticContact CH2-CE1 3.69Å; W1347-F1376 HydrophobicContact CH2-CE1 3.69Å; W1347-F1376 AromaticContact CZ2-CE1 3.87Å; W1347-F1376 HydrophobicContact CZ2-CE1 3.87Å; W1347-A1390 HydrophobicContact CD2-CB 3.89Å; W1347-A1390 VanDerWaalsContact CE2-CB 3.45Å; W1347-A1390 HydrophobicContact CE3-CB 4.4Å; W1347-A1390 HydrophobicContact CG-CB 4.36Å; W1347-A1390 HydrophobicContact CH2-CB 4.13Å; W1347-A1390 HydrophobicContact CZ2-CB 3.59Å; W1347-A1390 HydrophobicContact CZ3-CB 4.49Å; W1347-A1390 PolarHBondContact O-N 3.02Å; W1347-L1394 HydrophobicContact CH2-CD1 4.14Å; W1347-L1394 HydrophobicContact CZ2-CD1 3.1Å; W1347-L1394 HydrophobicContact CZ2-CD2 4.16Å; W1347-L1394 HydrophobicContact CZ2-CG 3.48Å; W1347-L1394 VanDerWaalsContact CZ2-CG 3.48Å; W1347-F1403 HydrophobicContact CH2-CD2 4.26Å; W1347-F1403 AromaticContact CH2-CE2 3.36Å; W1347-F1403 HydrophobicContact CH2-CE2 3.36Å; W1347-F1403 AromaticContact CH2-CZ 3.57Å; W1347-F1403 HydrophobicContact CH2-CZ 3.57Å; W1347-F1403 HydrophobicContact CZ2-CE2 4.08Å; W1347-F1403 HydrophobicContact CZ2-CZ 4.2Å; W1347-F1403 HydrophobicContact CZ3-CE2 4.25Å; W1347-V1417 HydrophobicContact CD2-CG1 4.48Å; W1347-V1417 HydrophobicContact CH2-CG2 3.84Å; W1347-V1417 HydrophobicContact CZ2-CG1 4.04Å; W1347-V1417 HydrophobicContact CZ2-CG2 4.15Å; W1347-V1417 HydrophobicContact CZ3-CG2 4.04Å |
| 1348 | K | 88 | Confident | 80.9 | Confident | 130 Ų | 130 | 54.4 Ų | 54.4 | 57% | 0.565 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140 | 146.5 | -178.7 | 68.3 | 176.2 | 179.6 | -177.5 | 0 | 109.8 | V1388 E1389 | K1348-V1388 CarbonylContact C-O 3.55Å; K1348-V1388 WeakPolarHBondContact CA-O 3.2Å; K1348-E1389 HydrophobicContact CB-CB 4.18Å; K1348-E1389 HydrophobicContact CB-CG 4.21Å |
| 1349 | F | 92.9 | Very high | 80.6 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.009 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 153.4 | 169.8 | 69.9 | -88.7 | 0 | 0 | 0 | 109.5 | V1334 V1335 I1339 W1347 C1351 V1362 V1388 F1403 I1415 | V1334-F1349 HydrophobicContact CG1-CD2 3.67Å; V1334-F1349 HydrophobicContact CG1-CE2 4.26Å; V1334-F1349 HydrophobicContact CG1-CG 4.42Å; V1335-F1349 WeakPolarHBondContact O-CA 3.49Å; I1339-F1349 HydrophobicContact CD1-CB 3.9Å; I1339-F1349 HydrophobicContact CD1-CD1 4.3Å; W1347-F1349 HydrophobicContact CE3-CD1 4.27Å; W1347-F1349 AromaticContact CZ3-CD1 3.69Å; W1347-F1349 HydrophobicContact CZ3-CD1 3.69Å; W1347-F1349 AromaticContact CZ3-CE1 3.91Å; W1347-F1349 HydrophobicContact CZ3-CE1 3.91Å; F1349-C1351 HydrophobicContact CE2-CB 4.35Å; F1349-V1362 HydrophobicContact CE2-CG1 4.25Å; F1349-V1362 HydrophobicContact CZ-CG1 3.69Å; F1349-V1388 HydrophobicContact CD1-CB 4.1Å; F1349-V1388 HydrophobicContact CE1-CB 3.54Å; F1349-V1388 HydrophobicContact CE1-CG1 3.79Å; F1349-V1388 HydrophobicContact CE1-CG2 4.23Å; F1349-V1388 HydrophobicContact CE2-CB 4.28Å; F1349-V1388 HydrophobicContact CE2-CG2 4.22Å; F1349-V1388 HydrophobicContact CZ-CB 3.65Å; F1349-V1388 HydrophobicContact CZ-CG1 4.14Å; F1349-V1388 HydrophobicContact CZ-CG2 3.79Å; F1349-V1388 PolarHBondContact N-O 3.1Å; F1349-V1388 PolarHBondContact O-N 1.74Å; F1349-F1403 HydrophobicContact CE1-CB 4.47Å; F1349-F1403 HydrophobicContact CE1-CD2 4.44Å; F1349-F1403 HydrophobicContact CE1-CG 4.35Å; F1349-F1403 HydrophobicContact CZ-CB 4.11Å; F1349-F1403 HydrophobicContact CZ-CG 4.42Å; F1349-I1415 HydrophobicContact CB-CD1 4.22Å; F1349-I1415 HydrophobicContact CD2-CD1 3.32Å; F1349-I1415 HydrophobicContact CE2-CD1 3.75Å; F1349-I1415 HydrophobicContact CG-CD1 3.83Å |
| 1350 | E | 89.7 | Confident | 80.6 | Confident | 75 Ų | 75 | 55.1 Ų | 55.1 | 35% | 0.35 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 133.7 | 179.4 | -67.6 | 178 | 175.2 | 0 | 0 | 110.9 | V1334 V1335 I1381 T1385 | V1334-E1350 CarbonylContact C-O 3.51Å; V1334-E1350 WeakPolarHBondContact CA-O 2.71Å; V1335-E1350 PolarHBondContact N-O 2.73Å; V1335-E1350 PolarHBondContact O-N 3.13Å; E1350-I1381 HydrophobicContact CG-CD1 3.98Å; E1350-I1381 WeakPolarHBondContact OE1-CD1 3.36Å; E1350-T1385 HydrophobicContact CB-CG2 4.35Å |
| 1351 | C | 91 | Very high | 80.7 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 113.9 | 176.5 | -177 | 0 | 0 | 0 | 0 | 108.9 | F1349 P1360 V1362 T1385 V1386 C1405 | F1349-C1351 HydrophobicContact CE2-CB 4.35Å; C1351-P1360 HydrophobicContact CB-CB 4.42Å; C1351-P1360 VanDerWaalsContact O-CG 3.32Å; C1351-P1360 WeakPolarHBondContact O-CG 2.9Å; C1351-V1362 HydrophobicContact CB-CG2 4.01Å; C1351-T1385 CarbonylContact O-C 3.45Å; C1351-T1385 WeakPolarHBondContact O-CA 2.88Å; C1351-V1386 PolarHBondContact N-O 3.26Å; C1351-V1386 PolarHBondContact O-N 2.62Å; C1351-C1405 HydrophobicContact CB-CB 3.97Å; C1351-C1405 WeakPolarHBondContact CB-SG 3.32Å; C1351-C1405 WeakPolarHBondContact SG-CB 3.4Å; C1351-C1405 CovalentContact SG-SG 1.2Å; C1351-C1405 PolarHBondContact SG-SG 2.51Å |
| 1352 | S | 85.1 | Confident | 81 | Confident | 14 Ų | 14 | 49.8 Ų | 49.8 | 10% | 0.098 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 0 | -177 | -58.1 | 0 | 0 | 0 | 0 | 110.3 | I1332 R1333 N1384 T1385 | I1332-S1352 CarbonylContact C-O 3.53Å; I1332-S1352 VanDerWaalsContact CA-O 3.29Å; I1332-S1352 WeakPolarHBondContact CA-O 2.7Å; R1333-S1352 PolarHBondContact N-O 2.93Å; R1333-S1352 PolarHBondContact O-N 2.59Å; S1352-N1384 CarbonylContact C-O 3.54Å; S1352-N1384 WeakPolarHBondContact CA-O 3.46Å; S1352-T1385 WeakPolarHBondContact CB-OG1 3.41Å; S1352-T1385 WeakPolarHBondContact OG-CB 3.06Å; S1352-T1385 WeakPolarHBondContact OG-CG2 3.46Å; S1352-T1385 PolarHBondContact OG-OG1 3.36Å |
| 1353 | V | 81.9 | Confident | 81.4 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | 0 | 105.2 | 0 | 179.7 | 0 | 0 | 0 | 0 | 109.1 | V1330 N1331 A1356 P1360 N1384 F1407 | V1330-V1353 HydrophobicContact CB-CG1 4.12Å; V1330-V1353 HydrophobicContact CG1-CB 4.11Å; V1330-V1353 HydrophobicContact CG1-CG1 2.6Å; N1331-V1353 CarbonylContact O-C 3.55Å; N1331-V1353 WeakPolarHBondContact O-CA 3.45Å; V1353-A1356 HydrophobicContact CG1-CB 4.2Å; V1353-P1360 HydrophobicContact CG2-CB 3.48Å; V1353-P1360 VanDerWaalsContact CG2-CB 3.48Å; V1353-P1360 HydrophobicContact CG2-CG 3.86Å; V1353-N1384 PolarHBondContact N-O 2.94Å; V1353-N1384 WeakPolarHBondContact O-CB 3.47Å; V1353-F1407 HydrophobicContact CG1-CD1 4.01Å; V1353-F1407 HydrophobicContact CG1-CE1 4.15Å; V1353-F1407 HydrophobicContact CG1-CG 4.38Å; V1353-F1407 HydrophobicContact CG2-CB 4.19Å; V1353-F1407 HydrophobicContact CG2-CD1 3.92Å; V1353-F1407 HydrophobicContact CG2-CG 4.32Å | |
| 1354 | L | 72.8 | Confident | 81.8 | Confident | 83 Ų | 83 | 49.9 Ų | 49.9 | 44% | 0.435 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 128.7 | 177.8 | -56.7 | 173.7 | 0 | 0 | 0 | 110.9 | V1330 N1331 R1333 | V1330-L1354 CarbonylContact C-O 3.44Å; V1330-L1354 WeakPolarHBondContact CA-O 3.15Å; N1331-L1354 PolarHBondContact N-O 3.4Å; N1331-L1354 VanDerWaalsContact N-O 3.12Å; N1331-L1354 PolarHBondContact O-N 3.07Å; R1333-L1354 HydrophobicContact CB-CD1 3.67Å; R1333-L1354 HydrophobicContact CB-CG 4.02Å; R1333-L1354 HydrophobicContact CG-CD1 4.37Å |
| 1355 | G | 68.2 | Low | 81.8 | Confident | 38 Ų | 38 | 54.8 Ų | 54.8 | 39% | 0.392 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 99.2 | -1.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | E1328 | E1328-G1355 WeakPolarHBondContact CB-O 3.39Å; E1328-G1355 VanDerWaalsContact CG-O 3.23Å; E1328-G1355 WeakPolarHBondContact CG-O 3.35Å |
| 1356 | A | 62.9 | Low | 81.4 | Confident | 14 Ų | 14 | 53.8 Ų | 53.8 | 12% | 0.116 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -148.4 | 130.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | V1330 V1353 V1358 N1384 | V1330-A1356 HydrophobicContact CB-CB 3.86Å; V1330-A1356 HydrophobicContact CG1-CB 3.54Å; V1330-A1356 HydrophobicContact CG2-CB 2.96Å; V1353-A1356 HydrophobicContact CG1-CB 4.2Å; A1356-V1358 HydrophobicContact CB-CB 4.42Å; A1356-V1358 HydrophobicContact CB-CG2 3.67Å; A1356-V1358 PolarHBondContact O-N 3.47Å; A1356-N1384 PolarHBondContact O-ND2 3.3Å |
| 1357 | D | 68.1 | Low | 81 | Confident | 130 Ų | 130 | 48.1 Ų | 48.1 | 70% | 0.695 | 26% | 0.261 | S | S | * | . | trans | -73 | 57.9 | 176.3 | -136.1 | -2.4 | 0 | 0 | 0 | 110.4 | N1384 | D1357-N1384 VanDerWaalsContact CA-CG 3.43Å; D1357-N1384 WeakPolarHBondContact CA-ND2 3.19Å; D1357-N1384 WeakPolarHBondContact CA-OD1 3.49Å; D1357-N1384 PolarHBondContact OD1-ND2 3Å; D1357-N1384 PolarHBondContact OD1-OD1 2.68Å | ||
| 1358 | V | 71.9 | Confident | 80.7 | Confident | 51 Ų | 51 | 50.2 Ų | 50.2 | 31% | 0.309 | 27% | 0.269 | S | S | . | . | trans | -120.7 | 135.4 | 179.1 | -171.9 | 0 | 0 | 0 | 0 | 108.1 | A1356 P1360 P1383 N1384 F1407 | A1356-V1358 HydrophobicContact CB-CB 4.42Å; A1356-V1358 HydrophobicContact CB-CG2 3.67Å; A1356-V1358 PolarHBondContact O-N 3.47Å; V1358-P1360 WeakPolarHBondContact O-CD 3.13Å; V1358-P1383 CarbonylContact C-O 3.32Å; V1358-N1384 PolarHBondContact N-OD1 3.28Å; V1358-F1407 HydrophobicContact CG1-CB 3.96Å; V1358-F1407 HydrophobicContact CG1-CD2 4.3Å | ||
| 1359 | E | 77.4 | Confident | 80.4 | Confident | 79 Ų | 79 | 47.5 Ų | 47.5 | 37% | 0.369 | 26% | 0.26 | S | S | . | . | trans | -69.1 | 124.6 | 180 | -174 | 177.1 | 179.8 | 0 | 0 | 110.9 | R1380 P1383 V1386 | E1359-R1380 WeakPolarHBondContact OE1-CD 3.49Å; E1359-R1380 IonicContact OE1-CZ 3.8Å; E1359-R1380 IonicContact OE1-NE 2.91Å; E1359-R1380 PolarHBondContact OE1-NE 2.62Å; E1359-R1380 CovalentContact OE1-NH1 0.5Å; E1359-R1380 IonicContact OE1-NH1 2.45Å; E1359-R1380 PolarHBondContact OE1-NH1 3.13Å; E1359-R1380 IonicContact OE1-NH2 2.77Å; E1359-R1380 PolarHBondContact OE1-NH2 3.02Å; E1359-R1380 IonicContact OE2-CZ 3.73Å; E1359-R1380 VanDerWaalsContact OE2-CZ 3.25Å; E1359-R1380 IonicContact OE2-NH1 3.36Å; E1359-R1380 PolarHBondContact OE2-NH1 2.48Å; E1359-R1380 IonicContact OE2-NH2 3.14Å; E1359-P1383 VanDerWaalsContact CA-O 3.22Å; E1359-P1383 WeakPolarHBondContact CA-O 3.26Å; E1359-P1383 PolarHBondContact N-O 3.34Å; E1359-V1386 HydrophobicContact CG-CG2 4.26Å | ||
| 1360 | P | 85.6 | Confident | 80 | Confident | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.032 | 26% | 0.26 | C | S | . | . | trans | -69.4 | 139 | 176.5 | 13.1 | -12.2 | 0 | 0 | 0 | 111.9 | C1351 V1353 V1358 N1384 V1386 T1406 | C1351-P1360 HydrophobicContact CB-CB 4.42Å; C1351-P1360 VanDerWaalsContact O-CG 3.32Å; C1351-P1360 WeakPolarHBondContact O-CG 2.9Å; V1353-P1360 HydrophobicContact CG2-CB 3.48Å; V1353-P1360 VanDerWaalsContact CG2-CB 3.48Å; V1353-P1360 HydrophobicContact CG2-CG 3.86Å; V1358-P1360 WeakPolarHBondContact O-CD 3.13Å; P1360-N1384 WeakPolarHBondContact CG-O 3.27Å; P1360-V1386 HydrophobicContact CB-CG2 4.45Å; P1360-V1386 HydrophobicContact CG-CB 4.08Å; P1360-V1386 HydrophobicContact CG-CG2 3.65Å; P1360-T1406 CarbonylContact C-O 3.43Å; P1360-T1406 WeakPolarHBondContact CA-O 2.9Å | ||
| 1361 | I | 88.2 | Confident | 79.5 | Confident | 63 Ų | 63 | 49 Ų | 49 | 32% | 0.323 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 126.1 | 174.5 | -60.8 | 170 | 0 | 0 | 0 | 109.5 | L1369 T1406 P1408 | I1361-L1369 HydrophobicContact CG2-CD2 3.28Å; I1361-T1406 CarbonylContact C-O 3.06Å; I1361-T1406 WeakPolarHBondContact CA-O 3.48Å; I1361-T1406 HydrophobicContact CB-CG2 4.17Å; I1361-T1406 PolarHBondContact N-O 2.72Å; I1361-T1406 PolarHBondContact O-N 2.77Å; I1361-P1408 HydrophobicContact CD1-CG 4.02Å |
| 1362 | V | 90 | Very high | 78.8 | Confident | 11 Ų | 11 | 53 Ų | 53 | 7% | 0.067 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 0 | 178.8 | -173.5 | 0 | 0 | 0 | 0 | 108.4 | F1349 C1351 V1370 V1386 V1388 F1403 I1404 | F1349-V1362 HydrophobicContact CE2-CG1 4.25Å; F1349-V1362 HydrophobicContact CZ-CG1 3.69Å; C1351-V1362 HydrophobicContact CB-CG2 4.01Å; V1362-V1370 HydrophobicContact CB-CB 4.38Å; V1362-V1370 HydrophobicContact CB-CG2 4.16Å; V1362-V1370 HydrophobicContact CG1-CB 4.18Å; V1362-V1370 HydrophobicContact CG1-CG2 3.54Å; V1362-V1370 WeakPolarHBondContact O-CG2 1.77Å; V1362-V1370 PolarHBondContact O-N 3.22Å; V1362-V1386 HydrophobicContact CG2-CG1 4.44Å; V1362-V1388 HydrophobicContact CB-CG2 3.95Å; V1362-V1388 HydrophobicContact CG1-CG2 3.82Å; V1362-V1388 HydrophobicContact CG2-CG2 3.69Å; V1362-F1403 HydrophobicContact CG1-CB 4.48Å; V1362-I1404 CarbonylContact C-O 3.38Å; V1362-I1404 WeakPolarHBondContact CA-O 3.36Å |
| 1363 | K | 87.9 | Confident | 78.2 | Confident | 40 Ų | 40 | 52.9 Ų | 52.9 | 17% | 0.174 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 151 | 0 | 53.6 | -175.5 | -177.4 | -178.1 | 0 | 110.1 | R1368 F1403 I1404 T1406 E1412 | K1363-R1368 CarbonylContact C-O 3.57Å; K1363-R1368 WeakPolarHBondContact CA-O 3Å; K1363-R1368 WeakPolarHBondContact CB-O 3.38Å; K1363-F1403 CarbonylContact O-C 3.57Å; K1363-I1404 HydrophobicContact CD-CB 4.24Å; K1363-I1404 HydrophobicContact CD-CG2 4.29Å; K1363-I1404 HydrophobicContact CG-CB 3.5Å; K1363-I1404 VanDerWaalsContact CG-CB 3.5Å; K1363-I1404 HydrophobicContact CG-CG1 4.5Å; K1363-I1404 HydrophobicContact CG-CG2 3.99Å; K1363-I1404 WeakPolarHBondContact CG-O 3.05Å; K1363-I1404 PolarHBondContact N-O 2.69Å; K1363-I1404 PolarHBondContact O-N 3.41Å; K1363-T1406 HydrophobicContact CD-CG2 4.38Å; K1363-E1412 WeakPolarHBondContact CE-OE1 3.32Å; K1363-E1412 IonicContact NZ-OE1 3.69Å; K1363-E1412 PolarHBondContact NZ-OE1 2.65Å | |
| 1364 | F | 85.4 | Confident | 77.7 | Confident | 9 Ų | 9 | 56.1 Ų | 56.1 | 4% | 0.039 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 164.4 | 169.9 | -67.3 | -78.6 | 0 | 0 | 0 | 110.7 | D1366 G1367 R1368 V1370 D1373 F1376 F1403 | F1364-D1366 WeakPolarHBondContact CB-OD1 3.47Å; F1364-D1366 PolarHBondContact O-N 3.2Å; F1364-G1367 PolarHBondContact O-N 3.28Å; F1364-R1368 HydrophobicContact CB-CG 3.36Å; F1364-R1368 VanDerWaalsContact CB-NE 3.33Å; F1364-R1368 HydrophobicContact CD2-CB 4.07Å; F1364-R1368 HydrophobicContact CD2-CG 2.82Å; F1364-R1368 VanDerWaalsContact CD2-NH2 3.32Å; F1364-R1368 WeakPolarHBondContact CD2-O 3.23Å; F1364-R1368 HydrophobicContact CE2-CG 3.82Å; F1364-R1368 VanDerWaalsContact CE2-NH2 3.29Å; F1364-R1368 HydrophobicContact CG-CG 3.46Å; F1364-R1368 VanDerWaalsContact CG-CG 3.46Å; F1364-R1368 PolarHBondContact N-O 3.14Å; F1364-V1370 HydrophobicContact CD2-CG2 4.17Å; F1364-V1370 HydrophobicContact CE1-CG2 4.48Å; F1364-V1370 HydrophobicContact CE2-CB 4.32Å; F1364-V1370 HydrophobicContact CE2-CG2 4.08Å; F1364-V1370 HydrophobicContact CG-CG2 4.42Å; F1364-V1370 HydrophobicContact CZ-CG1 4.4Å; F1364-V1370 HydrophobicContact CZ-CG2 4.23Å; F1364-D1373 HydrophobicContact CE2-CB 4.02Å; F1364-D1373 HydrophobicContact CZ-CB 4.03Å; F1364-F1376 HydrophobicContact CE1-CD2 4.21Å; F1364-F1376 AromaticContact CE1-CE2 3.52Å; F1364-F1376 HydrophobicContact CE1-CE2 3.52Å; F1364-F1376 AromaticContact CE1-CZ 3.82Å; F1364-F1376 HydrophobicContact CE1-CZ 3.82Å; F1364-F1376 AromaticContact CZ-CD2 3.58Å; F1364-F1376 HydrophobicContact CZ-CD2 3.58Å; F1364-F1376 AromaticContact CZ-CE2 3.3Å; F1364-F1376 HydrophobicContact CZ-CE2 3.3Å; F1364-F1376 HydrophobicContact CZ-CZ 4.05Å; F1364-F1403 AromaticContact CD1-CD1 3.84Å; F1364-F1403 HydrophobicContact CD1-CD1 3.84Å; F1364-F1403 AromaticContact CD1-CE1 3.42Å; F1364-F1403 HydrophobicContact CD1-CE1 3.42Å; F1364-F1403 VanDerWaalsContact CD1-CE1 3.42Å; F1364-F1403 HydrophobicContact CD1-CZ 4.25Å; F1364-F1403 AromaticContact CE1-CD1 3.97Å; F1364-F1403 HydrophobicContact CE1-CD1 3.97Å; F1364-F1403 AromaticContact CE1-CE1 3.12Å; F1364-F1403 HydrophobicContact CE1-CE1 3.12Å; F1364-F1403 AromaticContact CE1-CZ 3.86Å; F1364-F1403 HydrophobicContact CE1-CZ 3.86Å; F1364-F1403 HydrophobicContact CG-CE1 4.49Å; F1364-F1403 HydrophobicContact CZ-CE1 4.03Å |
| 1365 | Q | 78 | Confident | 77.7 | Confident | 129 Ų | 129 | 53 Ų | 53 | 60% | 0.603 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 0 | -179.5 | -160.6 | 173.3 | -20.5 | 0 | 0 | 111.1 | S1402 | Q1365-S1402 PolarHBondContact N-O 3.22Å; Q1365-S1402 PolarHBondContact OE1-OG 2.85Å |
| 1366 | D | 74.9 | Confident | 78.4 | Confident | 77 Ų | 77 | 51.9 Ų | 51.9 | 41% | 0.412 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 58.1 | 1.8 | 0 | 0 | 0 | 110.8 | V528 F1364 R1368 | V528-D1366 WeakPolarHBondContact CG1-O 3.36Å; V528-D1366 VanDerWaalsContact CG2-O 3.23Å; V528-D1366 WeakPolarHBondContact CG2-O 3.09Å; F1364-D1366 WeakPolarHBondContact CB-OD1 3.47Å; F1364-D1366 PolarHBondContact O-N 3.2Å; D1366-R1368 WeakPolarHBondContact OD1-CD 3.43Å; D1366-R1368 WeakPolarHBondContact OD1-CG 2.87Å; D1366-R1368 PolarHBondContact OD1-N 2.92Å; D1366-R1368 IonicContact OD1-NE 2.98Å; D1366-R1368 WeakPolarHBondContact OD2-CD 3.13Å; D1366-R1368 IonicContact OD2-NE 2.94Å; D1366-R1368 PolarHBondContact OD2-NE 2.95Å | |
| 1367 | G | 73.2 | Confident | 79.4 | Confident | 40 Ų | 40 | 57.7 Ų | 57.7 | 41% | 0.412 | 30% | 0.302 | S | S | . | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.6 | F1364 | F1364-G1367 PolarHBondContact O-N 3.28Š| |
| 1368 | R | 81.7 | Confident | 80.2 | Confident | 63 Ų | 63 | 53.6 Ų | 53.6 | 24% | 0.238 | 28% | 0.281 | C | S | . | . | 0 | 138.6 | 0 | 59.7 | -176 | -177.1 | 107.1 | 1.6 | 111.6 | K1363 F1364 D1366 V1370 D1373 | K1363-R1368 CarbonylContact C-O 3.57Å; K1363-R1368 WeakPolarHBondContact CA-O 3Å; K1363-R1368 WeakPolarHBondContact CB-O 3.38Å; F1364-R1368 HydrophobicContact CB-CG 3.36Å; F1364-R1368 VanDerWaalsContact CB-NE 3.33Å; F1364-R1368 HydrophobicContact CD2-CB 4.07Å; F1364-R1368 HydrophobicContact CD2-CG 2.82Å; F1364-R1368 VanDerWaalsContact CD2-NH2 3.32Å; F1364-R1368 WeakPolarHBondContact CD2-O 3.23Å; F1364-R1368 HydrophobicContact CE2-CG 3.82Å; F1364-R1368 VanDerWaalsContact CE2-NH2 3.29Å; F1364-R1368 HydrophobicContact CG-CG 3.46Å; F1364-R1368 VanDerWaalsContact CG-CG 3.46Å; F1364-R1368 PolarHBondContact N-O 3.14Å; D1366-R1368 WeakPolarHBondContact OD1-CD 3.43Å; D1366-R1368 WeakPolarHBondContact OD1-CG 2.87Å; D1366-R1368 PolarHBondContact OD1-N 2.92Å; D1366-R1368 IonicContact OD1-NE 2.98Å; D1366-R1368 WeakPolarHBondContact OD2-CD 3.13Å; D1366-R1368 IonicContact OD2-NE 2.94Å; D1366-R1368 PolarHBondContact OD2-NE 2.95Å; R1368-V1370 PolarHBondContact O-N 3.46Å; R1368-D1373 IonicContact NH1-OD2 2.98Å; R1368-D1373 PolarHBondContact NH1-OD2 2.98Å; R1368-D1373 VanDerWaalsContact NH1-OD2 3.12Å | |||
| 1369 | L | 82.1 | Confident | 80.8 | Confident | 72 Ų | 72 | 53.9 Ų | 53.9 | 38% | 0.377 | 28% | 0.283 | S | S | . | . | B | Isolated β-bridge | trans | -73.5 | 130.2 | -179.8 | -69.4 | 171.1 | 0 | 0 | 0 | 110.2 | I1361 E1371 S1372 | I1361-L1369 HydrophobicContact CG2-CD2 3.28Å; L1369-E1371 HydrophobicContact CB-CG 3.79Å; L1369-E1371 WeakPolarHBondContact CD1-OE1 3.21Å; L1369-E1371 PolarHBondContact O-N 3.45Å; L1369-E1371 VanDerWaalsContact O-N 3.13Å; L1369-S1372 WeakPolarHBondContact O-CB 3.44Å; L1369-S1372 PolarHBondContact O-N 2.9Å; L1369-S1372 PolarHBondContact O-OG 3.43Å |
| 1370 | V | 83.2 | Confident | 81.1 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -59.2 | -22.8 | -176 | 172.2 | 0 | 0 | 0 | 0 | 109.1 | V1362 F1364 R1368 S1372 D1373 F1376 V1378 V1388 F1403 | V1362-V1370 HydrophobicContact CB-CB 4.38Å; V1362-V1370 HydrophobicContact CB-CG2 4.16Å; V1362-V1370 HydrophobicContact CG1-CB 4.18Å; V1362-V1370 HydrophobicContact CG1-CG2 3.54Å; V1362-V1370 WeakPolarHBondContact O-CG2 1.77Å; V1362-V1370 PolarHBondContact O-N 3.22Å; F1364-V1370 HydrophobicContact CD2-CG2 4.17Å; F1364-V1370 HydrophobicContact CE1-CG2 4.48Å; F1364-V1370 HydrophobicContact CE2-CB 4.32Å; F1364-V1370 HydrophobicContact CE2-CG2 4.08Å; F1364-V1370 HydrophobicContact CG-CG2 4.42Å; F1364-V1370 HydrophobicContact CZ-CG1 4.4Å; F1364-V1370 HydrophobicContact CZ-CG2 4.23Å; R1368-V1370 PolarHBondContact O-N 3.46Å; V1370-S1372 VanDerWaalsContact C-N 3.28Å; V1370-S1372 PolarHBondContact O-N 2.84Å; V1370-D1373 PolarHBondContact O-N 2.65Å; V1370-D1373 VanDerWaalsContact O-N 3.13Å; V1370-F1376 HydrophobicContact CG1-CB 3.38Å; V1370-F1376 HydrophobicContact CG1-CD1 4.1Å; V1370-F1376 HydrophobicContact CG1-CD2 4.13Å; V1370-F1376 HydrophobicContact CG1-CG 3.63Å; V1370-V1378 HydrophobicContact CG1-CG2 4.13Å; V1370-V1388 HydrophobicContact CG1-CG1 3.63Å; V1370-F1403 HydrophobicContact CG2-CD1 3.69Å; V1370-F1403 HydrophobicContact CG2-CE1 4.09Å |
| 1371 | E | 80.9 | Confident | 81 | Confident | 108 Ų | 108 | 60.6 Ų | 60.6 | 51% | 0.505 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -74.8 | 0 | -179.2 | 56.5 | -174 | -178.6 | 0 | 0 | 111.3 | L1369 D1373 V1378 | L1369-E1371 HydrophobicContact CB-CG 3.79Å; L1369-E1371 WeakPolarHBondContact CD1-OE1 3.21Å; L1369-E1371 PolarHBondContact O-N 3.45Å; L1369-E1371 VanDerWaalsContact O-N 3.13Å; E1371-D1373 PolarHBondContact O-N 3.03Å; E1371-V1378 HydrophobicContact CB-CG2 4.15Å |
| 1372 | S | 75.4 | Confident | 80.6 | Confident | 84 Ų | 84 | 60.9 Ų | 60.9 | 59% | 0.587 | 31% | 0.312 | S | S | * | . | G | 310 helix | 0 | 0 | 0 | 62 | 0 | 0 | 0 | 0 | 111.2 | L1369 V1370 | L1369-S1372 WeakPolarHBondContact O-CB 3.44Å; L1369-S1372 PolarHBondContact O-N 2.9Å; L1369-S1372 PolarHBondContact O-OG 3.43Å; V1370-S1372 VanDerWaalsContact C-N 3.28Å; V1370-S1372 PolarHBondContact O-N 2.84Å | |
| 1373 | D | 72.8 | Confident | 80 | Confident | 12 Ų | 12 | 64.6 Ų | 64.6 | 6% | 0.064 | 34% | 0.337 | C | S | . | . | S | Bend | 0 | 0 | 0 | -169 | -39 | 0 | 0 | 0 | 109.3 | F1364 R1368 V1370 E1371 N1375 F1376 | F1364-D1373 HydrophobicContact CE2-CB 4.02Å; F1364-D1373 HydrophobicContact CZ-CB 4.03Å; R1368-D1373 IonicContact NH1-OD2 2.98Å; R1368-D1373 PolarHBondContact NH1-OD2 2.98Å; R1368-D1373 VanDerWaalsContact NH1-OD2 3.12Å; V1370-D1373 PolarHBondContact O-N 2.65Å; V1370-D1373 VanDerWaalsContact O-N 3.13Å; E1371-D1373 PolarHBondContact O-N 3.03Å; D1373-N1375 PolarHBondContact O-N 2.96Å; D1373-N1375 VanDerWaalsContact O-N 3.09Å; D1373-N1375 WeakPolarHBondContact OD1-CB 3.27Å; D1373-N1375 PolarHBondContact OD1-N 3.34Å; D1373-F1376 HydrophobicContact CB-CD2 3.85Å; D1373-F1376 HydrophobicContact CB-CE2 4.47Å; D1373-F1376 PolarHBondContact O-N 3.3Å; D1373-F1376 VanDerWaalsContact O-N 3.12Å | |
| 1374 | P | 71.9 | Confident | 79.7 | Confident | 69 Ų | 69 | 64.3 Ų | 64.3 | 45% | 0.448 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 2.8 | -3.2 | 0 | 0 | 0 | 111.9 | F1376 I1391 I1462 | P1374-F1376 VanDerWaalsContact C-N 3.28Å; P1374-F1376 PolarHBondContact O-N 3.31Å; P1374-I1391 VanDerWaalsContact O-CD1 3.26Å; P1374-I1391 WeakPolarHBondContact O-CD1 3.42Å; P1374-I1462 HydrophobicContact CB-CD1 3.93Å; P1374-I1462 HydrophobicContact CG-CD1 4.31Å | |
| 1375 | N | 72.1 | Confident | 79.8 | Confident | 17 Ų | 17 | 64.6 Ų | 64.6 | 9% | 0.091 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | 0 | -9.9 | 0 | -71.5 | -28.4 | 0 | 0 | 0 | 111.5 | D1373 I1391 P1456 | D1373-N1375 PolarHBondContact O-N 2.96Å; D1373-N1375 VanDerWaalsContact O-N 3.09Å; D1373-N1375 WeakPolarHBondContact OD1-CB 3.27Å; D1373-N1375 PolarHBondContact OD1-N 3.34Å; N1375-I1391 WeakPolarHBondContact O-CG1 3.4Å; N1375-I1391 PolarHBondContact O-N 3.07Å; N1375-I1391 VanDerWaalsContact O-N 3.12Å; N1375-P1456 WeakPolarHBondContact OD1-CB 3.07Å | |
| 1376 | F | 83.4 | Confident | 80.4 | Confident | 16 Ų | 16 | 58.6 Ų | 58.6 | 7% | 0.07 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 126 | -178.2 | -65.7 | -85.5 | 0 | 0 | 0 | 109 | W1347 F1364 V1370 D1373 P1374 V1388 E1389 A1390 L1394 F1403 | W1347-F1376 HydrophobicContact CH2-CD1 4.47Å; W1347-F1376 AromaticContact CH2-CE1 3.69Å; W1347-F1376 HydrophobicContact CH2-CE1 3.69Å; W1347-F1376 AromaticContact CZ2-CE1 3.87Å; W1347-F1376 HydrophobicContact CZ2-CE1 3.87Å; F1364-F1376 HydrophobicContact CE1-CD2 4.21Å; F1364-F1376 AromaticContact CE1-CE2 3.52Å; F1364-F1376 HydrophobicContact CE1-CE2 3.52Å; F1364-F1376 AromaticContact CE1-CZ 3.82Å; F1364-F1376 HydrophobicContact CE1-CZ 3.82Å; F1364-F1376 AromaticContact CZ-CD2 3.58Å; F1364-F1376 HydrophobicContact CZ-CD2 3.58Å; F1364-F1376 AromaticContact CZ-CE2 3.3Å; F1364-F1376 HydrophobicContact CZ-CE2 3.3Å; F1364-F1376 HydrophobicContact CZ-CZ 4.05Å; V1370-F1376 HydrophobicContact CG1-CB 3.38Å; V1370-F1376 HydrophobicContact CG1-CD1 4.1Å; V1370-F1376 HydrophobicContact CG1-CD2 4.13Å; V1370-F1376 HydrophobicContact CG1-CG 3.63Å; D1373-F1376 HydrophobicContact CB-CD2 3.85Å; D1373-F1376 HydrophobicContact CB-CE2 4.47Å; D1373-F1376 PolarHBondContact O-N 3.3Å; D1373-F1376 VanDerWaalsContact O-N 3.12Å; P1374-F1376 VanDerWaalsContact C-N 3.28Å; P1374-F1376 PolarHBondContact O-N 3.31Å; F1376-V1388 HydrophobicContact CB-CG1 4.4Å; F1376-V1388 HydrophobicContact CD1-CG1 4.11Å; F1376-E1389 CarbonylContact C-O 3.53Å; F1376-E1389 WeakPolarHBondContact CA-O 3.43Å; F1376-A1390 HydrophobicContact CD1-CB 4.03Å; F1376-A1390 HydrophobicContact CE1-CB 3.86Å; F1376-L1394 HydrophobicContact CE1-CD2 4.25Å; F1376-L1394 HydrophobicContact CZ-CD2 3.64Å; F1376-F1403 HydrophobicContact CD1-CE1 4.47Å; F1376-F1403 AromaticContact CE1-CE1 3.83Å; F1376-F1403 HydrophobicContact CE1-CE1 3.83Å; F1376-F1403 AromaticContact CE1-CZ 3.52Å; F1376-F1403 HydrophobicContact CE1-CZ 3.52Å; F1376-F1403 HydrophobicContact CE2-CE1 4.47Å; F1376-F1403 AromaticContact CZ-CE1 3.83Å; F1376-F1403 HydrophobicContact CZ-CE1 3.83Å; F1376-F1403 AromaticContact CZ-CZ 3.56Å; F1376-F1403 HydrophobicContact CZ-CZ 3.56Å |
| 1377 | R | 83.3 | Confident | 81.1 | Confident | 136 Ų | 136 | 55.3 Ų | 55.3 | 51% | 0.513 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 121.5 | 172.5 | -177.7 | -172.7 | -63.1 | -169.6 | 2 | 110.3 | T1379 V1388 E1389 I1391 | R1377-T1379 HydrophobicContact CG-CG2 4.12Å; R1377-V1388 WeakPolarHBondContact O-CA 3.27Å; R1377-E1389 HydrophobicContact CB-CB 4.37Å; R1377-E1389 PolarHBondContact N-O 3Å; R1377-E1389 PolarHBondContact O-N 2.36Å; R1377-I1391 HydrophobicContact CB-CD1 4.03Å; R1377-I1391 HydrophobicContact CB-CG1 3.9Å |
| 1378 | V | 85.1 | Confident | 81.8 | Confident | 43 Ų | 43 | 53.4 Ų | 53.4 | 26% | 0.261 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 110.3 | 179.7 | 178.5 | 0 | 0 | 0 | 0 | 108.3 | V1370 E1371 V1386 S1387 V1388 | V1370-V1378 HydrophobicContact CG1-CG2 4.13Å; E1371-V1378 HydrophobicContact CB-CG2 4.15Å; V1378-V1386 HydrophobicContact CB-CG1 4.31Å; V1378-V1386 HydrophobicContact CG1-CB 4.36Å; V1378-V1386 HydrophobicContact CG1-CG1 2.86Å; V1378-S1387 CarbonylContact C-O 3.53Å; V1378-S1387 VanDerWaalsContact CA-O 3.28Å; V1378-S1387 WeakPolarHBondContact CA-O 3.4Å; V1378-V1388 HydrophobicContact CG2-CG2 4.26Å |
| 1379 | T | 84.2 | Confident | 82.1 | Confident | 58 Ų | 58 | 52.7 Ų | 52.7 | 36% | 0.356 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 130 | 177.1 | 44.1 | 0 | 0 | 0 | 0 | 110.4 | R1377 I1381 V1386 S1387 | R1377-T1379 HydrophobicContact CG-CG2 4.12Å; T1379-I1381 PolarHBondContact O-N 3.04Å; T1379-V1386 CarbonylContact O-C 3.57Å; T1379-S1387 PolarHBondContact N-O 2.8Å; T1379-S1387 PolarHBondContact O-N 2.92Å; T1379-S1387 VanDerWaalsContact OG1-CB 3.25Å; T1379-S1387 WeakPolarHBondContact OG1-CB 3.26Å; T1379-S1387 PolarHBondContact OG1-O 3.27Å |
| 1380 | R | 84.8 | Confident | 82.3 | Confident | 135 Ų | 135 | 49.3 Ų | 49.3 | 51% | 0.509 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 100.1 | 179.8 | -66.8 | 177.6 | -167.6 | -105.6 | -2 | 109.7 | E1359 D1382 V1386 | E1359-R1380 WeakPolarHBondContact OE1-CD 3.49Å; E1359-R1380 IonicContact OE1-CZ 3.8Å; E1359-R1380 IonicContact OE1-NE 2.91Å; E1359-R1380 PolarHBondContact OE1-NE 2.62Å; E1359-R1380 CovalentContact OE1-NH1 0.5Å; E1359-R1380 IonicContact OE1-NH1 2.45Å; E1359-R1380 PolarHBondContact OE1-NH1 3.13Å; E1359-R1380 IonicContact OE1-NH2 2.77Å; E1359-R1380 PolarHBondContact OE1-NH2 3.02Å; E1359-R1380 IonicContact OE2-CZ 3.73Å; E1359-R1380 VanDerWaalsContact OE2-CZ 3.25Å; E1359-R1380 IonicContact OE2-NH1 3.36Å; E1359-R1380 PolarHBondContact OE2-NH1 2.48Å; E1359-R1380 IonicContact OE2-NH2 3.14Å; R1380-D1382 VanDerWaalsContact C-N 3.34Å; R1380-V1386 HydrophobicContact CG-CG2 4.18Å |
| 1381 | I | 82 | Confident | 82.2 | Confident | 90 Ų | 90 | 50.7 Ų | 50.7 | 46% | 0.462 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | -36.2 | -175.1 | -61.5 | 175.1 | 0 | 0 | 0 | 109.5 | E1350 T1379 T1385 S1387 | E1350-I1381 HydrophobicContact CG-CD1 3.98Å; E1350-I1381 WeakPolarHBondContact OE1-CD1 3.36Å; T1379-I1381 PolarHBondContact O-N 3.04Å; I1381-T1385 HydrophobicContact CB-CG2 4.42Å; I1381-T1385 HydrophobicContact CD1-CG2 4.19Å; I1381-T1385 PolarHBondContact N-O 3.14Å; I1381-T1385 VanDerWaalsContact N-O 3.16Å; I1381-S1387 VanDerWaalsContact CD1-CB 3.48Å |
| 1382 | D | 81.2 | Confident | 82 | Confident | 68 Ų | 68 | 48.9 Ų | 48.9 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 166.5 | 174.8 | 55.7 | 42.1 | 0 | 0 | 0 | 109.2 | R1380 N1384 T1385 | R1380-D1382 VanDerWaalsContact C-N 3.34Å; D1382-N1384 PolarHBondContact O-N 3.47Å; D1382-N1384 VanDerWaalsContact OD1-C 3.23Å; D1382-N1384 PolarHBondContact OD1-N 2.86Å; D1382-T1385 PolarHBondContact N-O 3.06Å; D1382-T1385 PolarHBondContact O-N 3.03Å; D1382-T1385 VanDerWaalsContact OD1-CA 3.25Å; D1382-T1385 WeakPolarHBondContact OD1-CA 2.56Å; D1382-T1385 WeakPolarHBondContact OD1-CB 2.88Å; D1382-T1385 PolarHBondContact OD1-N 3.09Å; D1382-T1385 PolarHBondContact OD1-OG1 3.13Å; D1382-T1385 PolarHBondContact OD2-OG1 3.3Å |
| 1383 | P | 76 | Confident | 82.3 | Confident | 89 Ų | 89 | 45 Ų | 45 | 58% | 0.578 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -15.9 | -171.4 | -12.3 | 15.6 | 0 | 0 | 0 | 111.7 | V1358 E1359 | V1358-P1383 CarbonylContact C-O 3.32Å; E1359-P1383 VanDerWaalsContact CA-O 3.22Å; E1359-P1383 WeakPolarHBondContact CA-O 3.26Å; E1359-P1383 PolarHBondContact N-O 3.34Å |
| 1384 | N | 82.7 | Confident | 82.7 | Confident | 34 Ų | 34 | 45 Ų | 45 | 18% | 0.182 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | 2.4 | -175.5 | -62.7 | 8.2 | 0 | 0 | 0 | 110.7 | S1352 V1353 A1356 D1357 V1358 P1360 D1382 | S1352-N1384 CarbonylContact C-O 3.54Å; S1352-N1384 WeakPolarHBondContact CA-O 3.46Å; V1353-N1384 PolarHBondContact N-O 2.94Å; V1353-N1384 WeakPolarHBondContact O-CB 3.47Å; A1356-N1384 PolarHBondContact O-ND2 3.3Å; D1357-N1384 VanDerWaalsContact CA-CG 3.43Å; D1357-N1384 WeakPolarHBondContact CA-ND2 3.19Å; D1357-N1384 WeakPolarHBondContact CA-OD1 3.49Å; D1357-N1384 PolarHBondContact OD1-ND2 3Å; D1357-N1384 PolarHBondContact OD1-OD1 2.68Å; V1358-N1384 PolarHBondContact N-OD1 3.28Å; P1360-N1384 WeakPolarHBondContact CG-O 3.27Å; D1382-N1384 PolarHBondContact O-N 3.47Å; D1382-N1384 VanDerWaalsContact OD1-C 3.23Å; D1382-N1384 PolarHBondContact OD1-N 2.86Å |
| 1385 | T | 87.6 | Confident | 83 | Confident | 16 Ų | 16 | 42.3 Ų | 42.3 | 10% | 0.098 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 128.5 | -177 | -57.2 | 0 | 0 | 0 | 0 | 109.1 | E1350 C1351 S1352 I1381 D1382 | E1350-T1385 HydrophobicContact CB-CG2 4.35Å; C1351-T1385 CarbonylContact O-C 3.45Å; C1351-T1385 WeakPolarHBondContact O-CA 2.88Å; S1352-T1385 WeakPolarHBondContact CB-OG1 3.41Å; S1352-T1385 WeakPolarHBondContact OG-CB 3.06Å; S1352-T1385 WeakPolarHBondContact OG-CG2 3.46Å; S1352-T1385 PolarHBondContact OG-OG1 3.36Å; I1381-T1385 HydrophobicContact CB-CG2 4.42Å; I1381-T1385 HydrophobicContact CD1-CG2 4.19Å; I1381-T1385 PolarHBondContact N-O 3.14Å; I1381-T1385 VanDerWaalsContact N-O 3.16Å; D1382-T1385 PolarHBondContact N-O 3.06Å; D1382-T1385 PolarHBondContact O-N 3.03Å; D1382-T1385 VanDerWaalsContact OD1-CA 3.25Å; D1382-T1385 WeakPolarHBondContact OD1-CA 2.56Å; D1382-T1385 WeakPolarHBondContact OD1-CB 2.88Å; D1382-T1385 PolarHBondContact OD1-N 3.09Å; D1382-T1385 PolarHBondContact OD1-OG1 3.13Å; D1382-T1385 PolarHBondContact OD2-OG1 3.3Å |
| 1386 | V | 89.9 | Confident | 83 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 128.6 | 174.3 | 173.7 | 0 | 0 | 0 | 0 | 109 | C1351 E1359 P1360 V1362 V1378 T1379 R1380 V1388 | C1351-V1386 PolarHBondContact N-O 3.26Å; C1351-V1386 PolarHBondContact O-N 2.62Å; E1359-V1386 HydrophobicContact CG-CG2 4.26Å; P1360-V1386 HydrophobicContact CB-CG2 4.45Å; P1360-V1386 HydrophobicContact CG-CB 4.08Å; P1360-V1386 HydrophobicContact CG-CG2 3.65Å; V1362-V1386 HydrophobicContact CG2-CG1 4.44Å; V1378-V1386 HydrophobicContact CB-CG1 4.31Å; V1378-V1386 HydrophobicContact CG1-CB 4.36Å; V1378-V1386 HydrophobicContact CG1-CG1 2.86Å; T1379-V1386 CarbonylContact O-C 3.57Å; R1380-V1386 HydrophobicContact CG-CG2 4.18Å; V1386-V1388 HydrophobicContact CG1-CG2 4.37Å |
| 1387 | S | 89.7 | Confident | 82.3 | Confident | 8 Ų | 8 | 46.9 Ų | 46.9 | 6% | 0.056 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 126.2 | 174.7 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | V1378 T1379 I1381 | V1378-S1387 CarbonylContact C-O 3.53Å; V1378-S1387 VanDerWaalsContact CA-O 3.28Å; V1378-S1387 WeakPolarHBondContact CA-O 3.4Å; T1379-S1387 PolarHBondContact N-O 2.8Å; T1379-S1387 PolarHBondContact O-N 2.92Å; T1379-S1387 VanDerWaalsContact OG1-CB 3.25Å; T1379-S1387 WeakPolarHBondContact OG1-CB 3.26Å; T1379-S1387 PolarHBondContact OG1-O 3.27Å; I1381-S1387 VanDerWaalsContact CD1-CB 3.48Å |
| 1388 | V | 88.8 | Confident | 81.6 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 119.8 | 178.7 | 179.2 | 0 | 0 | 0 | 0 | 108.7 | K1348 F1349 V1362 V1370 F1376 R1377 V1378 V1386 | K1348-V1388 CarbonylContact C-O 3.55Å; K1348-V1388 WeakPolarHBondContact CA-O 3.2Å; F1349-V1388 HydrophobicContact CD1-CB 4.1Å; F1349-V1388 HydrophobicContact CE1-CB 3.54Å; F1349-V1388 HydrophobicContact CE1-CG1 3.79Å; F1349-V1388 HydrophobicContact CE1-CG2 4.23Å; F1349-V1388 HydrophobicContact CE2-CB 4.28Å; F1349-V1388 HydrophobicContact CE2-CG2 4.22Å; F1349-V1388 HydrophobicContact CZ-CB 3.65Å; F1349-V1388 HydrophobicContact CZ-CG1 4.14Å; F1349-V1388 HydrophobicContact CZ-CG2 3.79Å; F1349-V1388 PolarHBondContact N-O 3.1Å; F1349-V1388 PolarHBondContact O-N 1.74Å; V1362-V1388 HydrophobicContact CB-CG2 3.95Å; V1362-V1388 HydrophobicContact CG1-CG2 3.82Å; V1362-V1388 HydrophobicContact CG2-CG2 3.69Å; V1370-V1388 HydrophobicContact CG1-CG1 3.63Å; F1376-V1388 HydrophobicContact CB-CG1 4.4Å; F1376-V1388 HydrophobicContact CD1-CG1 4.11Å; R1377-V1388 WeakPolarHBondContact O-CA 3.27Å; V1378-V1388 HydrophobicContact CG2-CG2 4.26Å; V1386-V1388 HydrophobicContact CG1-CG2 4.37Å |
| 1389 | E | 88.1 | Confident | 81.2 | Confident | 49 Ų | 49 | 50.2 Ų | 50.2 | 23% | 0.229 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 125 | -179.1 | -177.3 | -179.3 | -174.1 | 0 | 0 | 109.5 | K1348 F1376 R1377 I1391 | K1348-E1389 HydrophobicContact CB-CB 4.18Å; K1348-E1389 HydrophobicContact CB-CG 4.21Å; F1376-E1389 CarbonylContact C-O 3.53Å; F1376-E1389 WeakPolarHBondContact CA-O 3.43Å; R1377-E1389 HydrophobicContact CB-CB 4.37Å; R1377-E1389 PolarHBondContact N-O 3Å; R1377-E1389 PolarHBondContact O-N 2.36Å; E1389-I1391 PolarHBondContact O-N 3.05Å |
| 1390 | A | 84.8 | Confident | 81 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 98.1 | 168 | 0 | 0 | 0 | 0 | 0 | 110.6 | W1347 F1376 H1392 G1393 | W1347-A1390 HydrophobicContact CD2-CB 3.89Å; W1347-A1390 VanDerWaalsContact CE2-CB 3.45Å; W1347-A1390 HydrophobicContact CE3-CB 4.4Å; W1347-A1390 HydrophobicContact CG-CB 4.36Å; W1347-A1390 HydrophobicContact CH2-CB 4.13Å; W1347-A1390 HydrophobicContact CZ2-CB 3.59Å; W1347-A1390 HydrophobicContact CZ3-CB 4.49Å; W1347-A1390 PolarHBondContact O-N 3.02Å; F1376-A1390 HydrophobicContact CD1-CB 4.03Å; F1376-A1390 HydrophobicContact CE1-CB 3.86Å; A1390-H1392 PolarHBondContact O-N 3.05Å; A1390-G1393 PolarHBondContact O-N 2.88Å; A1390-G1393 VanDerWaalsContact O-N 3.08Å |
| 1391 | I | 81.4 | Confident | 80.9 | Confident | 29 Ų | 29 | 48.9 Ų | 48.9 | 15% | 0.149 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 0 | -167.3 | -22.5 | 166.1 | 0 | 0 | 0 | 108.9 | R1346 P1374 N1375 R1377 E1389 | R1346-I1391 WeakPolarHBondContact CD-O 3.05Å; R1346-I1391 VanDerWaalsContact CG-O 3.31Å; R1346-I1391 WeakPolarHBondContact CG-O 3.14Å; R1346-I1391 PolarHBondContact NE-O 2.92Å; P1374-I1391 VanDerWaalsContact O-CD1 3.26Å; P1374-I1391 WeakPolarHBondContact O-CD1 3.42Å; N1375-I1391 WeakPolarHBondContact O-CG1 3.4Å; N1375-I1391 PolarHBondContact O-N 3.07Å; N1375-I1391 VanDerWaalsContact O-N 3.12Å; R1377-I1391 HydrophobicContact CB-CD1 4.03Å; R1377-I1391 HydrophobicContact CB-CG1 3.9Å; E1389-I1391 PolarHBondContact O-N 3.05Å |
| 1392 | H | 76.9 | Confident | 81.1 | Confident | 71 Ų | 71 | 45 Ų | 45 | 33% | 0.329 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -62.3 | -63.2 | 0 | 0 | 0 | 110.4 | A1390 P1457 | A1390-H1392 PolarHBondContact O-N 3.05Å; H1392-P1457 HydrophobicContact CB-CB 4.34Å; H1392-P1457 HydrophobicContact CB-CG 4.18Å | |
| 1393 | G | 82.8 | Confident | 81.5 | Confident | 2 Ų | 2 | 41.8 Ų | 41.8 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.3 | E1345 A1390 P1457 | E1345-G1393 VanDerWaalsContact O-CA 3.26Å; E1345-G1393 WeakPolarHBondContact O-CA 2.63Å; A1390-G1393 PolarHBondContact O-N 2.88Å; A1390-G1393 VanDerWaalsContact O-N 3.08Å; G1393-P1457 WeakPolarHBondContact O-CB 2.75Å; G1393-P1457 WeakPolarHBondContact O-CG 3.44Å | |||
| 1394 | L | 80.5 | Confident | 82.1 | Confident | 13 Ų | 13 | 38.5 Ų | 38.5 | 7% | 0.068 | 18% | 0.177 | C | C | . | . | 0 | 157.7 | 0 | -64.8 | 172 | 0 | 0 | 0 | 109.7 | P1343 Y1344 W1347 F1376 F1401 V1417 V1419 | P1343-L1394 VanDerWaalsContact CA-O 3.25Å; P1343-L1394 WeakPolarHBondContact CA-O 2.69Å; Y1344-L1394 PolarHBondContact N-O 3.24Å; Y1344-L1394 VanDerWaalsContact N-O 3.14Å; W1347-L1394 HydrophobicContact CH2-CD1 4.14Å; W1347-L1394 HydrophobicContact CZ2-CD1 3.1Å; W1347-L1394 HydrophobicContact CZ2-CD2 4.16Å; W1347-L1394 HydrophobicContact CZ2-CG 3.48Å; W1347-L1394 VanDerWaalsContact CZ2-CG 3.48Å; F1376-L1394 HydrophobicContact CE1-CD2 4.25Å; F1376-L1394 HydrophobicContact CZ-CD2 3.64Å; L1394-F1401 HydrophobicContact CB-CE2 4.42Å; L1394-F1401 HydrophobicContact CD1-CB 4.04Å; L1394-F1401 HydrophobicContact CD1-CD2 3.82Å; L1394-F1401 HydrophobicContact CD1-CE2 4.45Å; L1394-F1401 HydrophobicContact CD1-CG 3.94Å; L1394-V1417 HydrophobicContact CD1-CB 4.14Å; L1394-V1417 HydrophobicContact CD1-CG1 3.66Å; L1394-V1419 HydrophobicContact CB-CG2 3.83Å; L1394-V1419 HydrophobicContact CD1-CG2 4.23Å | |||
| 1395 | T | 77.8 | Confident | 82.4 | Confident | 11 Ų | 11 | 37 Ų | 37 | 7% | 0.067 | 17% | 0.169 | C | C | . | . | trans | -100.3 | 176.7 | 179.5 | 66.4 | 0 | 0 | 0 | 0 | 109.6 | K1397 P1457 Y1458 | T1395-K1397 VanDerWaalsContact C-N 3.27Å; T1395-K1397 PolarHBondContact O-N 3.33Å; T1395-K1397 PolarHBondContact OG1-N 2.96Å; T1395-P1457 HydrophobicContact CG2-CB 4.06Å; T1395-P1457 HydrophobicContact CG2-CG 3.57Å; T1395-Y1458 HydrophobicContact CG2-CD1 4.31Å; T1395-Y1458 HydrophobicContact CG2-CD2 3.4Å; T1395-Y1458 VanDerWaalsContact CG2-CD2 3.4Å; T1395-Y1458 HydrophobicContact CG2-CE1 4.32Å; T1395-Y1458 HydrophobicContact CG2-CE2 3.41Å; T1395-Y1458 VanDerWaalsContact CG2-CE2 3.41Å; T1395-Y1458 HydrophobicContact CG2-CG 3.88Å | ||
| 1396 | E | 72.2 | Confident | 82.5 | Confident | 5 Ų | 5 | 36.9 Ų | 36.9 | 2% | 0.023 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 0 | -176.8 | -59 | 172.9 | 176.6 | 0 | 0 | 110.4 | P1343 K1398 V1419 R1421 R1422 | P1343-E1396 HydrophobicContact CB-CG 4.02Å; P1343-E1396 HydrophobicContact CG-CG 3.22Å; P1343-E1396 WeakPolarHBondContact CG-OE1 3.21Å; E1396-K1398 PolarHBondContact O-N 2.94Å; E1396-V1419 HydrophobicContact CG-CG1 4.21Å; E1396-R1421 HydrophobicContact CB-CG 4.4Å; E1396-R1422 PolarHBondContact OE1-N 2.88Å |
| 1397 | K | 69.6 | Low | 82.2 | Confident | 124 Ų | 124 | 37.7 Ų | 37.7 | 54% | 0.539 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | 0 | -33.8 | 0 | -89.5 | -172.5 | -179 | 178.7 | 0 | 111.2 | T1395 F1428 Y1458 | T1395-K1397 VanDerWaalsContact C-N 3.27Å; T1395-K1397 PolarHBondContact O-N 3.33Å; T1395-K1397 PolarHBondContact OG1-N 2.96Å; K1397-F1428 HydrophobicContact CG-CE1 4.32Å; K1397-F1428 HydrophobicContact CG-CE2 4.21Å; K1397-F1428 HydrophobicContact CG-CZ 3.84Å; K1397-Y1458 HydrophobicContact CG-CE1 4.22Å | |
| 1398 | K | 68.3 | Low | 81.4 | Confident | 138 Ų | 138 | 41.8 Ų | 41.8 | 60% | 0.6 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -131.5 | 128.4 | 176.3 | -76.4 | -171.3 | -179.8 | -178.9 | 0 | 109.6 | E1396 R1400 F1401 | E1396-K1398 PolarHBondContact O-N 2.94Å; K1398-R1400 PolarHBondContact O-N 2.49Å; K1398-F1401 HydrophobicContact CB-CD2 4.2Å; K1398-F1401 HydrophobicContact CB-CE1 3.92Å; K1398-F1401 HydrophobicContact CB-CE2 3.53Å; K1398-F1401 HydrophobicContact CB-CZ 3.37Å; K1398-F1401 HydrophobicContact CD-CE1 4.17Å; K1398-F1401 HydrophobicContact CD-CZ 4.42Å; K1398-F1401 HydrophobicContact CG-CE1 4.48Å; K1398-F1401 HydrophobicContact CG-CZ 4.22Å; K1398-F1401 WeakPolarHBondContact O-CE2 3.38Å |
| 1399 | E | 75.1 | Confident | 80.4 | Confident | 111 Ų | 111 | 45.9 Ų | 45.9 | 52% | 0.519 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -76.4 | -17 | -174.9 | -72 | -178.4 | -177.8 | 0 | 0 | 110.7 | F1418 V1419 | E1399-F1418 WeakPolarHBondContact O-CA 3.43Å; E1399-V1419 PolarHBondContact O-N 3.46Å |
| 1400 | R | 81.9 | Confident | 79.5 | Confident | 129 Ų | 129 | 44.4 Ų | 44.4 | 49% | 0.487 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 0 | 178.6 | 178.8 | -179.1 | 167.5 | -177.8 | 0.1 | 109.3 | K1398 E1414 D1416 F1418 | K1398-R1400 PolarHBondContact O-N 2.49Å; R1400-E1414 IonicContact NH2-OE1 3.06Å; R1400-D1416 IonicContact CZ-OD1 3.81Å; R1400-D1416 IonicContact CZ-OD2 3.66Å; R1400-D1416 IonicContact NE-OD1 3.33Å; R1400-D1416 PolarHBondContact NE-OD1 2.41Å; R1400-D1416 IonicContact NE-OD2 3.67Å; R1400-D1416 IonicContact NH2-OD1 3.34Å; R1400-D1416 PolarHBondContact NH2-OD1 2.72Å; R1400-D1416 IonicContact NH2-OD2 3.28Å; R1400-D1416 PolarHBondContact NH2-OD2 3.48Å; R1400-F1418 HydrophobicContact CB-CD1 4.1Å; R1400-F1418 HydrophobicContact CB-CE1 4Å; R1400-F1418 HydrophobicContact CG-CD1 4.1Å; R1400-F1418 HydrophobicContact CG-CE1 3.66Å; R1400-F1418 HydrophobicContact CG-CZ 4.16Å |
| 1401 | F | 82.4 | Confident | 79.1 | Confident | 36 Ų | 36 | 47.3 Ų | 47.3 | 16% | 0.158 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -72.3 | -94.6 | 0 | 0 | 0 | 109.8 | L1394 K1398 F1403 D1416 V1417 V1419 | L1394-F1401 HydrophobicContact CB-CE2 4.42Å; L1394-F1401 HydrophobicContact CD1-CB 4.04Å; L1394-F1401 HydrophobicContact CD1-CD2 3.82Å; L1394-F1401 HydrophobicContact CD1-CE2 4.45Å; L1394-F1401 HydrophobicContact CD1-CG 3.94Å; K1398-F1401 HydrophobicContact CB-CD2 4.2Å; K1398-F1401 HydrophobicContact CB-CE1 3.92Å; K1398-F1401 HydrophobicContact CB-CE2 3.53Å; K1398-F1401 HydrophobicContact CB-CZ 3.37Å; K1398-F1401 HydrophobicContact CD-CE1 4.17Å; K1398-F1401 HydrophobicContact CD-CZ 4.42Å; K1398-F1401 HydrophobicContact CG-CE1 4.48Å; K1398-F1401 HydrophobicContact CG-CZ 4.22Å; K1398-F1401 WeakPolarHBondContact O-CE2 3.38Å; F1401-F1403 HydrophobicContact CB-CE2 4.2Å; F1401-D1416 CarbonylContact O-C 3.39Å; F1401-D1416 WeakPolarHBondContact O-CA 3.4Å; F1401-V1417 HydrophobicContact CB-CB 4.27Å; F1401-V1417 PolarHBondContact N-O 3.25Å; F1401-V1417 PolarHBondContact O-N 1.4Å; F1401-V1419 HydrophobicContact CD2-CG2 4.13Å; F1401-V1419 HydrophobicContact CE2-CG2 4.26Å | |
| 1402 | S | 86 | Confident | 79.2 | Confident | 8 Ų | 8 | 51.3 Ų | 51.3 | 6% | 0.056 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 128 | 0 | -65.4 | 0 | 0 | 0 | 0 | 110 | Q1365 E1414 I1415 D1416 | Q1365-S1402 PolarHBondContact N-O 3.22Å; Q1365-S1402 PolarHBondContact OE1-OG 2.85Å; S1402-E1414 WeakPolarHBondContact CB-OE1 3.49Å; S1402-E1414 PolarHBondContact OG-OE1 3.28Å; S1402-I1415 CarbonylContact C-O 2.72Å; S1402-I1415 WeakPolarHBondContact CA-O 3.47Å; S1402-D1416 WeakPolarHBondContact CB-OD1 3.08Å; S1402-D1416 PolarHBondContact OG-OD1 3.32Å | |
| 1403 | F | 88.7 | Confident | 79.5 | Confident | 1 Ų | 1 | 52 Ų | 52 | 0% | 0.004 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 141.4 | 173.9 | -61.5 | -91.8 | 0 | 0 | 0 | 109.9 | W1347 F1349 V1362 K1363 F1364 V1370 F1376 F1401 E1414 I1415 V1417 | W1347-F1403 HydrophobicContact CH2-CD2 4.26Å; W1347-F1403 AromaticContact CH2-CE2 3.36Å; W1347-F1403 HydrophobicContact CH2-CE2 3.36Å; W1347-F1403 AromaticContact CH2-CZ 3.57Å; W1347-F1403 HydrophobicContact CH2-CZ 3.57Å; W1347-F1403 HydrophobicContact CZ2-CE2 4.08Å; W1347-F1403 HydrophobicContact CZ2-CZ 4.2Å; W1347-F1403 HydrophobicContact CZ3-CE2 4.25Å; F1349-F1403 HydrophobicContact CE1-CB 4.47Å; F1349-F1403 HydrophobicContact CE1-CD2 4.44Å; F1349-F1403 HydrophobicContact CE1-CG 4.35Å; F1349-F1403 HydrophobicContact CZ-CB 4.11Å; F1349-F1403 HydrophobicContact CZ-CG 4.42Å; V1362-F1403 HydrophobicContact CG1-CB 4.48Å; K1363-F1403 CarbonylContact O-C 3.57Å; F1364-F1403 AromaticContact CD1-CD1 3.84Å; F1364-F1403 HydrophobicContact CD1-CD1 3.84Å; F1364-F1403 AromaticContact CD1-CE1 3.42Å; F1364-F1403 HydrophobicContact CD1-CE1 3.42Å; F1364-F1403 VanDerWaalsContact CD1-CE1 3.42Å; F1364-F1403 HydrophobicContact CD1-CZ 4.25Å; F1364-F1403 AromaticContact CE1-CD1 3.97Å; F1364-F1403 HydrophobicContact CE1-CD1 3.97Å; F1364-F1403 AromaticContact CE1-CE1 3.12Å; F1364-F1403 HydrophobicContact CE1-CE1 3.12Å; F1364-F1403 AromaticContact CE1-CZ 3.86Å; F1364-F1403 HydrophobicContact CE1-CZ 3.86Å; F1364-F1403 HydrophobicContact CG-CE1 4.49Å; F1364-F1403 HydrophobicContact CZ-CE1 4.03Å; V1370-F1403 HydrophobicContact CG2-CD1 3.69Å; V1370-F1403 HydrophobicContact CG2-CE1 4.09Å; F1376-F1403 HydrophobicContact CD1-CE1 4.47Å; F1376-F1403 AromaticContact CE1-CE1 3.83Å; F1376-F1403 HydrophobicContact CE1-CE1 3.83Å; F1376-F1403 AromaticContact CE1-CZ 3.52Å; F1376-F1403 HydrophobicContact CE1-CZ 3.52Å; F1376-F1403 HydrophobicContact CE2-CE1 4.47Å; F1376-F1403 AromaticContact CZ-CE1 3.83Å; F1376-F1403 HydrophobicContact CZ-CE1 3.83Å; F1376-F1403 AromaticContact CZ-CZ 3.56Å; F1376-F1403 HydrophobicContact CZ-CZ 3.56Å; F1401-F1403 HydrophobicContact CB-CE2 4.2Å; F1403-E1414 CarbonylContact O-C 3.49Å; F1403-E1414 WeakPolarHBondContact O-CA 3.41Å; F1403-I1415 HydrophobicContact CB-CG2 4.32Å; F1403-I1415 HydrophobicContact CD2-CG2 4.19Å; F1403-I1415 PolarHBondContact N-O 3.28Å; F1403-I1415 PolarHBondContact O-N 2.94Å; F1403-V1417 HydrophobicContact CD2-CG2 3.92Å; F1403-V1417 HydrophobicContact CE2-CB 4.43Å; F1403-V1417 HydrophobicContact CE2-CG2 3.71Å |
| 1404 | I | 89.3 | Confident | 79.5 | Confident | 20 Ų | 20 | 55.7 Ų | 55.7 | 10% | 0.103 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 121 | -179 | -64.2 | 176 | 0 | 0 | 0 | 108 | V1362 K1363 E1412 E1413 | V1362-I1404 CarbonylContact C-O 3.38Å; V1362-I1404 WeakPolarHBondContact CA-O 3.36Å; K1363-I1404 HydrophobicContact CD-CB 4.24Å; K1363-I1404 HydrophobicContact CD-CG2 4.29Å; K1363-I1404 HydrophobicContact CG-CB 3.5Å; K1363-I1404 VanDerWaalsContact CG-CB 3.5Å; K1363-I1404 HydrophobicContact CG-CG1 4.5Å; K1363-I1404 HydrophobicContact CG-CG2 3.99Å; K1363-I1404 WeakPolarHBondContact CG-O 3.05Å; K1363-I1404 PolarHBondContact N-O 2.69Å; K1363-I1404 PolarHBondContact O-N 3.41Å; I1404-E1412 HydrophobicContact CG2-CB 3.5Å; I1404-E1412 HydrophobicContact CG2-CG 3.8Å; I1404-E1413 CarbonylContact C-O 2.94Å; I1404-E1413 WeakPolarHBondContact CA-O 3.46Å |
| 1405 | C | 89.9 | Confident | 79.7 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.014 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 121.7 | 171.5 | -174 | 0 | 0 | 0 | 0 | 110.1 | I1332 V1334 C1351 E1413 | I1332-C1405 WeakPolarHBondContact CD1-O 3.35Å; I1332-C1405 HydrophobicContact CG2-CB 3.52Å; I1332-C1405 WeakPolarHBondContact CG2-SG 1.75Å; V1334-C1405 HydrophobicContact CG2-CB 3.75Å; C1351-C1405 HydrophobicContact CB-CB 3.97Å; C1351-C1405 WeakPolarHBondContact CB-SG 3.32Å; C1351-C1405 WeakPolarHBondContact SG-CB 3.4Å; C1351-C1405 CovalentContact SG-SG 1.2Å; C1351-C1405 PolarHBondContact SG-SG 2.51Å; C1405-E1413 PolarHBondContact N-O 2.67Å; C1405-E1413 PolarHBondContact O-N 3.32Å |
| 1406 | T | 89 | Confident | 80.1 | Confident | 15 Ų | 15 | 55.9 Ų | 55.9 | 9% | 0.092 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 0 | -176.9 | -175.1 | 0 | 0 | 0 | 0 | 108.8 | P1360 I1361 K1363 G1410 P1411 | P1360-T1406 CarbonylContact C-O 3.43Å; P1360-T1406 WeakPolarHBondContact CA-O 2.9Å; I1361-T1406 CarbonylContact C-O 3.06Å; I1361-T1406 WeakPolarHBondContact CA-O 3.48Å; I1361-T1406 HydrophobicContact CB-CG2 4.17Å; I1361-T1406 PolarHBondContact N-O 2.72Å; I1361-T1406 PolarHBondContact O-N 2.77Å; K1363-T1406 HydrophobicContact CD-CG2 4.38Å; T1406-G1410 PolarHBondContact OG1-O 3.47Å; T1406-P1411 PolarHBondContact OG1-O 3.35Å |
| 1407 | F | 83.5 | Confident | 80.8 | Confident | 19 Ų | 19 | 55.7 Ų | 55.7 | 8% | 0.083 | 29% | 0.294 | C | S | . | . | 0 | 145.5 | 0 | 60.3 | -86.7 | 0 | 0 | 0 | 109.5 | V1330 I1332 V1353 V1358 G1409 G1410 P1411 | V1330-F1407 HydrophobicContact CB-CE1 3.85Å; V1330-F1407 HydrophobicContact CB-CE2 3.86Å; V1330-F1407 HydrophobicContact CB-CZ 3.23Å; V1330-F1407 HydrophobicContact CG1-CD1 3.89Å; V1330-F1407 HydrophobicContact CG1-CD2 4.18Å; V1330-F1407 HydrophobicContact CG1-CE1 3.2Å; V1330-F1407 HydrophobicContact CG1-CE2 3.55Å; V1330-F1407 HydrophobicContact CG1-CG 4.33Å; V1330-F1407 HydrophobicContact CG1-CZ 3.01Å; V1330-F1407 HydrophobicContact CG2-CE2 4.42Å; V1330-F1407 HydrophobicContact CG2-CZ 4.24Å; I1332-F1407 HydrophobicContact CD1-CD1 3.8Å; I1332-F1407 HydrophobicContact CD1-CE1 4.02Å; I1332-F1407 HydrophobicContact CG1-CD1 3.74Å; I1332-F1407 HydrophobicContact CG1-CE1 3.77Å; V1353-F1407 HydrophobicContact CG1-CD1 4.01Å; V1353-F1407 HydrophobicContact CG1-CE1 4.15Å; V1353-F1407 HydrophobicContact CG1-CG 4.38Å; V1353-F1407 HydrophobicContact CG2-CB 4.19Å; V1353-F1407 HydrophobicContact CG2-CD1 3.92Å; V1353-F1407 HydrophobicContact CG2-CG 4.32Å; V1358-F1407 HydrophobicContact CG1-CB 3.96Å; V1358-F1407 HydrophobicContact CG1-CD2 4.3Å; F1407-G1409 PolarHBondContact O-N 2.79Å; F1407-G1410 VanDerWaalsContact CE1-CA 3.45Å; F1407-G1410 PolarHBondContact O-N 2.71Å; F1407-P1411 HydrophobicContact CE1-CG 4.23Å | |||
| 1408 | P | 72.3 | Confident | 81.4 | Confident | 94 Ų | 94 | 52.9 Ų | 52.9 | 61% | 0.61 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -42.4 | 0 | -174 | -18.6 | 26.7 | 0 | 0 | 0 | 111.6 | I1361 | I1361-P1408 HydrophobicContact CD1-CG 4.02Š|
| 1409 | G | 67.9 | Low | 82 | Confident | 85 Ų | 85 | 46.5 Ų | 46.5 | 88% | 0.876 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.7 | F1407 | F1407-G1409 PolarHBondContact O-N 2.79Š| |
| 1410 | G | 70 | Confident | 82 | Confident | 18 Ų | 18 | 49.7 Ų | 49.7 | 19% | 0.186 | 26% | 0.262 | C | S | . | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.9 | T1406 F1407 | T1406-G1410 PolarHBondContact OG1-O 3.47Å; F1407-G1410 VanDerWaalsContact CE1-CA 3.45Å; F1407-G1410 PolarHBondContact O-N 2.71Å | |
| 1411 | P | 76.1 | Confident | 81.6 | Confident | 62 Ų | 62 | 46.5 Ų | 46.5 | 40% | 0.403 | 25% | 0.25 | S | S | . | . | P | Polyproline II helix | 0 | 0 | 0 | 21.9 | -23.5 | 0 | 0 | 0 | 111.9 | I1332 T1406 F1407 | I1332-P1411 VanDerWaalsContact CD1-C 3.48Å; I1332-P1411 WeakPolarHBondContact CD1-O 3.28Å; T1406-P1411 PolarHBondContact OG1-O 3.35Å; F1407-P1411 HydrophobicContact CE1-CG 4.23Å | |
| 1412 | E | 82.6 | Confident | 81.3 | Confident | 113 Ų | 113 | 51.6 Ų | 51.6 | 53% | 0.528 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | 0 | 116 | 0 | -66.3 | -174.7 | 165.6 | 0 | 0 | 110.6 | K1363 I1404 | K1363-E1412 WeakPolarHBondContact CE-OE1 3.32Å; K1363-E1412 IonicContact NZ-OE1 3.69Å; K1363-E1412 PolarHBondContact NZ-OE1 2.65Å; I1404-E1412 HydrophobicContact CG2-CB 3.5Å; I1404-E1412 HydrophobicContact CG2-CG 3.8Å | |
| 1413 | E | 84.2 | Confident | 80.9 | Confident | 85 Ų | 85 | 51.4 Ų | 51.4 | 40% | 0.397 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 0 | 171.3 | -79.8 | -72 | 163.3 | 0 | 0 | 110.4 | I1332 V1334 I1404 C1405 | I1332-E1413 HydrophobicContact CB-CB 4.15Å; I1332-E1413 HydrophobicContact CB-CG 3.84Å; I1332-E1413 HydrophobicContact CG2-CB 3.9Å; I1332-E1413 HydrophobicContact CG2-CG 4.14Å; V1334-E1413 HydrophobicContact CG2-CB 3.98Å; I1404-E1413 CarbonylContact C-O 2.94Å; I1404-E1413 WeakPolarHBondContact CA-O 3.46Å; C1405-E1413 PolarHBondContact N-O 2.67Å; C1405-E1413 PolarHBondContact O-N 3.32Å |
| 1414 | E | 82.6 | Confident | 80.3 | Confident | 80 Ų | 80 | 54.8 Ų | 54.8 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 132.8 | 0 | -172.4 | 176.4 | 174.6 | 0 | 0 | 109.9 | R1400 S1402 F1403 | R1400-E1414 IonicContact NH2-OE1 3.06Å; S1402-E1414 WeakPolarHBondContact CB-OE1 3.49Å; S1402-E1414 PolarHBondContact OG-OE1 3.28Å; F1403-E1414 CarbonylContact O-C 3.49Å; F1403-E1414 WeakPolarHBondContact O-CA 3.41Å | |
| 1415 | I | 85.4 | Confident | 79.4 | Confident | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 127.6 | 169 | -104.6 | 154.6 | 0 | 0 | 0 | 109.7 | V1334 P1336 D1337 F1349 S1402 F1403 V1417 | V1334-I1415 HydrophobicContact CB-CD1 2.9Å; V1334-I1415 HydrophobicContact CB-CG1 3.7Å; V1334-I1415 HydrophobicContact CG1-CB 3.9Å; V1334-I1415 CovalentContact CG1-CD1 1.49Å; V1334-I1415 HydrophobicContact CG1-CD1 1.49Å; V1334-I1415 HydrophobicContact CG1-CG1 2.68Å; V1334-I1415 HydrophobicContact CG2-CD1 3.57Å; V1334-I1415 HydrophobicContact CG2-CG1 4.36Å; P1336-I1415 WeakPolarHBondContact O-CD1 3.03Å; D1337-I1415 WeakPolarHBondContact O-CA 3.48Å; D1337-I1415 VanDerWaalsContact O-CG1 3.27Å; D1337-I1415 WeakPolarHBondContact O-CG1 2.82Å; F1349-I1415 HydrophobicContact CB-CD1 4.22Å; F1349-I1415 HydrophobicContact CD2-CD1 3.32Å; F1349-I1415 HydrophobicContact CE2-CD1 3.75Å; F1349-I1415 HydrophobicContact CG-CD1 3.83Å; S1402-I1415 CarbonylContact C-O 2.72Å; S1402-I1415 WeakPolarHBondContact CA-O 3.47Å; F1403-I1415 HydrophobicContact CB-CG2 4.32Å; F1403-I1415 HydrophobicContact CD2-CG2 4.19Å; F1403-I1415 PolarHBondContact N-O 3.28Å; F1403-I1415 PolarHBondContact O-N 2.94Å; I1415-V1417 HydrophobicContact CG2-CG2 4.1Å |
| 1416 | D | 85.2 | Confident | 78.6 | Confident | 28 Ų | 28 | 63.2 Ų | 63.2 | 15% | 0.15 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 126.8 | 179.7 | -73.6 | -33.7 | 0 | 0 | 0 | 109.8 | V1338 I1339 R1400 F1401 S1402 F1418 | V1338-D1416 WeakPolarHBondContact CA-O 3.44Å; I1339-D1416 PolarHBondContact N-O 2.75Å; I1339-D1416 VanDerWaalsContact N-O 3.08Å; R1400-D1416 IonicContact CZ-OD1 3.81Å; R1400-D1416 IonicContact CZ-OD2 3.66Å; R1400-D1416 IonicContact NE-OD1 3.33Å; R1400-D1416 PolarHBondContact NE-OD1 2.41Å; R1400-D1416 IonicContact NE-OD2 3.67Å; R1400-D1416 IonicContact NH2-OD1 3.34Å; R1400-D1416 PolarHBondContact NH2-OD1 2.72Å; R1400-D1416 IonicContact NH2-OD2 3.28Å; R1400-D1416 PolarHBondContact NH2-OD2 3.48Å; F1401-D1416 CarbonylContact O-C 3.39Å; F1401-D1416 WeakPolarHBondContact O-CA 3.4Å; S1402-D1416 WeakPolarHBondContact CB-OD1 3.08Å; S1402-D1416 PolarHBondContact OG-OD1 3.32Å; D1416-F1418 HydrophobicContact CB-CD2 4.34Å; D1416-F1418 HydrophobicContact CB-CE2 3.62Å; D1416-F1418 HydrophobicContact CB-CZ 4Å |
| 1417 | V | 86.6 | Confident | 78.2 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 114.2 | 173.4 | -176.7 | 0 | 0 | 0 | 0 | 109.5 | I1339 T1341 W1347 L1394 F1401 F1403 I1415 | I1339-V1417 HydrophobicContact CB-CG1 4.22Å; I1339-V1417 HydrophobicContact CB-CG2 4.13Å; I1339-V1417 HydrophobicContact CD1-CG2 4.36Å; I1339-V1417 HydrophobicContact CG2-CG1 4.21Å; I1339-V1417 CarbonylContact O-C 2.95Å; I1339-V1417 WeakPolarHBondContact O-CA 3.16Å; T1341-V1417 HydrophobicContact CG2-CG1 3.6Å; W1347-V1417 HydrophobicContact CD2-CG1 4.48Å; W1347-V1417 HydrophobicContact CH2-CG2 3.84Å; W1347-V1417 HydrophobicContact CZ2-CG1 4.04Å; W1347-V1417 HydrophobicContact CZ2-CG2 4.15Å; W1347-V1417 HydrophobicContact CZ3-CG2 4.04Å; L1394-V1417 HydrophobicContact CD1-CB 4.14Å; L1394-V1417 HydrophobicContact CD1-CG1 3.66Å; F1401-V1417 HydrophobicContact CB-CB 4.27Å; F1401-V1417 PolarHBondContact N-O 3.25Å; F1401-V1417 PolarHBondContact O-N 1.4Å; F1403-V1417 HydrophobicContact CD2-CG2 3.92Å; F1403-V1417 HydrophobicContact CE2-CB 4.43Å; F1403-V1417 HydrophobicContact CE2-CG2 3.71Å; I1415-V1417 HydrophobicContact CG2-CG2 4.1Å |
| 1418 | F | 82.4 | Confident | 78.1 | Confident | 65 Ų | 65 | 63.6 Ų | 63.6 | 29% | 0.285 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 0 | 179.9 | -66.8 | -84.9 | 0 | 0 | 0 | 109.7 | V1338 I1339 Y1340 T1341 E1399 R1400 D1416 | V1338-F1418 HydrophobicContact CG1-CD2 3.92Å; V1338-F1418 HydrophobicContact CG1-CE2 3.94Å; I1339-F1418 PolarHBondContact O-N 3.2Å; Y1340-F1418 CarbonylContact C-O 3.59Å; Y1340-F1418 WeakPolarHBondContact CA-O 3.44Å; Y1340-F1418 HydrophobicContact CD1-CB 3.75Å; Y1340-F1418 HydrophobicContact CD1-CD2 4.28Å; Y1340-F1418 HydrophobicContact CD1-CG 4.34Å; Y1340-F1418 HydrophobicContact CE1-CB 4.01Å; Y1340-F1418 AromaticContact CE1-CD2 3.85Å; Y1340-F1418 HydrophobicContact CE1-CD2 3.85Å; Y1340-F1418 HydrophobicContact CE1-CG 4.11Å; T1341-F1418 PolarHBondContact N-O 3.14Å; E1399-F1418 WeakPolarHBondContact O-CA 3.43Å; R1400-F1418 HydrophobicContact CB-CD1 4.1Å; R1400-F1418 HydrophobicContact CB-CE1 4Å; R1400-F1418 HydrophobicContact CG-CD1 4.1Å; R1400-F1418 HydrophobicContact CG-CE1 3.66Å; R1400-F1418 HydrophobicContact CG-CZ 4.16Å; D1416-F1418 HydrophobicContact CB-CD2 4.34Å; D1416-F1418 HydrophobicContact CB-CE2 3.62Å; D1416-F1418 HydrophobicContact CB-CZ 4Å |
| 1419 | V | 81.1 | Confident | 78.6 | Confident | 5 Ų | 5 | 59.9 Ų | 59.9 | 3% | 0.03 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 114.7 | 0 | -176 | 0 | 0 | 0 | 0 | 109 | T1341 P1343 L1394 E1396 E1399 F1401 R1421 | T1341-V1419 HydrophobicContact CG2-CG2 3.89Å; T1341-V1419 VanDerWaalsContact O-CA 3.24Å; T1341-V1419 WeakPolarHBondContact O-CA 3.43Å; P1343-V1419 HydrophobicContact CB-CG1 4.5Å; P1343-V1419 HydrophobicContact CG-CG1 3.9Å; L1394-V1419 HydrophobicContact CB-CG2 3.83Å; L1394-V1419 HydrophobicContact CD1-CG2 4.23Å; E1396-V1419 HydrophobicContact CG-CG1 4.21Å; E1399-V1419 PolarHBondContact O-N 3.46Å; F1401-V1419 HydrophobicContact CD2-CG2 4.13Å; F1401-V1419 HydrophobicContact CE2-CG2 4.26Å; V1419-R1421 PolarHBondContact O-N 3.45Å | |
| 1420 | R | 74 | Confident | 79.3 | Confident | 178 Ų | 178 | 55.8 Ų | 55.8 | 67% | 0.672 | 27% | 0.271 | S | S | * | . | trans | -68.7 | 0 | -178.9 | -135.7 | 178.3 | 170.8 | -170.9 | 0.4 | 110.3 | T1341 P1343 | T1341-R1420 PolarHBondContact O-N 2.88Å; P1343-R1420 WeakPolarHBondContact CD-O 3.09Å | ||
| 1421 | R | 74.9 | Confident | 79.8 | Confident | 62 Ų | 62 | 61 Ų | 61 | 23% | 0.234 | 29% | 0.289 | C | S | . | . | 0 | 111.1 | 0 | -159.1 | -179.2 | -173 | -133.8 | 2 | 110.5 | E1396 V1419 P1424 H1425 | E1396-R1421 HydrophobicContact CB-CG 4.4Å; V1419-R1421 PolarHBondContact O-N 3.45Å; R1421-P1424 PolarHBondContact NH2-O 2.77Å; R1421-H1425 VanDerWaalsContact CZ-CE1 3.45Å; R1421-H1425 PolarHBondContact NH1-CD2 2.49Å; R1421-H1425 PolarHBondContact NH1-CE1 3.01Å; R1421-H1425 PolarHBondContact NH1-ND1 2.89Å; R1421-H1425 PolarHBondContact NH1-NE2 3.47Å; R1421-H1425 VanDerWaalsContact NH2-CB 3.29Å; R1421-H1425 VanDerWaalsContact NH2-N 3.11Å; R1421-H1425 PolarHBondContact NH2-ND1 3.27Å; R1421-H1425 VanDerWaalsContact NH2-ND1 3.16Å | |||
| 1422 | R | 76.5 | Confident | 79.9 | Confident | 142 Ų | 142 | 62 Ų | 62 | 54% | 0.536 | 29% | 0.29 | S | S | . | . | trans | -101.1 | -16.8 | 179.2 | -89.6 | -177 | -120.6 | -117.1 | -0.8 | 110.5 | Q1342 E1396 | Q1342-R1422 VanDerWaalsContact CB-NH2 3.33Å; Q1342-R1422 CovalentContact CD-NH2 1.63Å; E1396-R1422 PolarHBondContact OE1-N 2.88Å | ||
| 1423 | C | 76.9 | Confident | 79.5 | Confident | 4 Ų | 4 | 58.7 Ų | 58.7 | 3% | 0.027 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -97.2 | 139.9 | -179.2 | -69.3 | 0 | 0 | 0 | 0 | 110 | Q1427 C1435 | C1423-Q1427 HydrophobicContact CB-CB 4.13Å; C1423-C1435 HydrophobicContact CB-CB 3.83Å; C1423-C1435 WeakPolarHBondContact CB-SG 3.32Å; C1423-C1435 WeakPolarHBondContact SG-CB 3.04Å; C1423-C1435 CovalentContact SG-SG 1.88Å; C1423-C1435 PolarHBondContact SG-SG 1.88Å |
| 1424 | P | 75.7 | Confident | 79.4 | Confident | 72 Ų | 72 | 57.2 Ų | 57.2 | 47% | 0.468 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -51.8 | 146.5 | 178.6 | -11.1 | 15.7 | 0 | 0 | 0 | 111.8 | R1421 G1426 Q1427 | R1421-P1424 PolarHBondContact NH2-O 2.77Å; P1424-G1426 PolarHBondContact O-N 3.09Å; P1424-Q1427 PolarHBondContact O-N 2.91Å |
| 1425 | H | 71.6 | Confident | 79.5 | Confident | 163 Ų | 163 | 55 Ų | 55 | 76% | 0.755 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | 121.6 | 179.5 | -76 | -74.5 | 0 | 0 | 0 | 110.9 | R1421 | R1421-H1425 VanDerWaalsContact CZ-CE1 3.45Å; R1421-H1425 PolarHBondContact NH1-CD2 2.49Å; R1421-H1425 PolarHBondContact NH1-CE1 3.01Å; R1421-H1425 PolarHBondContact NH1-ND1 2.89Å; R1421-H1425 PolarHBondContact NH1-NE2 3.47Å; R1421-H1425 VanDerWaalsContact NH2-CB 3.29Å; R1421-H1425 VanDerWaalsContact NH2-N 3.11Å; R1421-H1425 PolarHBondContact NH2-ND1 3.27Å; R1421-H1425 VanDerWaalsContact NH2-ND1 3.16Å |
| 1426 | G | 71.5 | Confident | 79.3 | Confident | 36 Ų | 36 | 59 Ų | 59 | 37% | 0.371 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 110.9 | 0 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | P1424 E1438 | P1424-G1426 PolarHBondContact O-N 3.09Å; G1426-E1438 PolarHBondContact O-N 1.98Å; G1426-E1438 VanDerWaalsContact O-N 3.12Å |
| 1427 | Q | 81.8 | Confident | 79 | Confident | 31 Ų | 31 | 59.8 Ų | 59.8 | 15% | 0.145 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 145 | 0 | -67 | -170.1 | -8.6 | 0 | 0 | 109.7 | C1423 P1424 C1435 R1436 | C1423-Q1427 HydrophobicContact CB-CB 4.13Å; P1424-Q1427 PolarHBondContact O-N 2.91Å; Q1427-C1435 HydrophobicContact CB-CB 4.36Å; Q1427-R1436 CarbonylContact C-O 3.42Å; Q1427-R1436 WeakPolarHBondContact CA-O 3.39Å; Q1427-R1436 WeakPolarHBondContact CB-O 3.42Å | |
| 1428 | F | 81.4 | Confident | 78.4 | Confident | 11 Ų | 11 | 64.7 Ų | 64.7 | 5% | 0.048 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 150.6 | 175.7 | -69.6 | -36.7 | 0 | 0 | 0 | 110.3 | K1397 C1435 R1436 E1438 F1441 Y1458 | K1397-F1428 HydrophobicContact CG-CE1 4.32Å; K1397-F1428 HydrophobicContact CG-CE2 4.21Å; K1397-F1428 HydrophobicContact CG-CZ 3.84Å; F1428-C1435 CarbonylContact O-C 3.4Å; F1428-C1435 WeakPolarHBondContact O-CA 3.43Å; F1428-R1436 PolarHBondContact N-O 3.33Å; F1428-R1436 PolarHBondContact O-N 2.55Å; F1428-E1438 HydrophobicContact CD2-CB 3.96Å; F1428-E1438 HydrophobicContact CD2-CG 3.55Å; F1428-E1438 HydrophobicContact CE1-CG 4.28Å; F1428-E1438 HydrophobicContact CE2-CB 3.58Å; F1428-E1438 VanDerWaalsContact CE2-CD 3.45Å; F1428-E1438 HydrophobicContact CE2-CG 2.69Å; F1428-E1438 HydrophobicContact CZ-CB 4.08Å; F1428-E1438 HydrophobicContact CZ-CG 3.17Å; F1428-E1438 WeakPolarHBondContact CZ-OE1 3.16Å; F1428-F1441 HydrophobicContact CB-CD1 4.44Å; F1428-F1441 HydrophobicContact CB-CD2 3.76Å; F1428-F1441 HydrophobicContact CB-CE1 4Å; F1428-F1441 HydrophobicContact CB-CE2 3.22Å; F1428-F1441 HydrophobicContact CB-CG 4.33Å; F1428-F1441 HydrophobicContact CB-CZ 3.36Å; F1428-F1441 HydrophobicContact CD2-CB 4.49Å; F1428-F1441 AromaticContact CD2-CD2 3.79Å; F1428-F1441 HydrophobicContact CD2-CD2 3.79Å; F1428-F1441 HydrophobicContact CD2-CE2 4.16Å; F1428-F1441 HydrophobicContact CD2-CG 4.12Å; F1428-F1441 HydrophobicContact CG-CD2 4.3Å; F1428-F1441 HydrophobicContact CG-CE2 4.2Å; F1428-F1441 WeakPolarHBondContact O-CZ 3.38Å; F1428-Y1458 WeakPolarHBondContact CA-OH 3.14Å; F1428-Y1458 HydrophobicContact CB-CE1 3.87Å; F1428-Y1458 HydrophobicContact CB-CE2 4.09Å; F1428-Y1458 WeakPolarHBondContact CB-OH 3.01Å; F1428-Y1458 HydrophobicContact CD1-CE1 4.37Å; F1428-Y1458 WeakPolarHBondContact CD1-OH 3.43Å; F1428-Y1458 HydrophobicContact CD2-CD1 4.33Å; F1428-Y1458 AromaticContact CD2-CE1 3.23Å; F1428-Y1458 HydrophobicContact CD2-CE1 3.23Å; F1428-Y1458 AromaticContact CD2-CZ 3.61Å; F1428-Y1458 VanDerWaalsContact CD2-OH 3.29Å; F1428-Y1458 WeakPolarHBondContact CD2-OH 3.4Å; F1428-Y1458 AromaticContact CE2-CE1 3.79Å; F1428-Y1458 HydrophobicContact CE2-CE1 3.79Å; F1428-Y1458 AromaticContact CG-CE1 3.58Å; F1428-Y1458 HydrophobicContact CG-CE1 3.58Å; F1428-Y1458 AromaticContact CG-CZ 3.42Å; F1428-Y1458 VanDerWaalsContact CG-CZ 3.42Å; F1428-Y1458 WeakPolarHBondContact CG-OH 3.22Å |
| 1429 | M | 82.8 | Confident | 78.2 | Confident | 16 Ų | 16 | 66.8 Ų | 66.8 | 8% | 0.079 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 121.8 | -175.9 | -176.2 | 171.8 | 81.7 | 0 | 0 | 109.8 | P1343 Y1344 T1434 | P1343-M1429 HydrophobicContact CB-CB 4.08Å; P1343-M1429 HydrophobicContact CB-CE 2.65Å; P1343-M1429 HydrophobicContact CB-CG 4.43Å; P1343-M1429 HydrophobicContact CB-SD 3.99Å; P1343-M1429 HydrophobicContact CG-CB 4.2Å; P1343-M1429 HydrophobicContact CG-CE 2.98Å; P1343-M1429 HydrophobicContact CG-SD 3.83Å; P1343-M1429 WeakPolarHBondContact O-CE 3.25Å; Y1344-M1429 HydrophobicContact CD2-CE 3.96Å; Y1344-M1429 VanDerWaalsContact CE2-C 3.49Å; Y1344-M1429 WeakPolarHBondContact CE2-O 3.47Å; Y1344-M1429 PolarHBondContact OH-O 2.85Å; M1429-T1434 CarbonylContact C-O 3.27Å; M1429-T1434 WeakPolarHBondContact CA-O 3.48Å |
| 1430 | C | 83.1 | Confident | 78 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | trans | -64.3 | 0 | 167.4 | -65.7 | 0 | 0 | 0 | 0 | 111.1 | Y1344 D1432 G1433 T1434 R1436 C1448 | Y1344-C1430 WeakPolarHBondContact CD2-O 3.38Å; Y1344-C1430 WeakPolarHBondContact CE2-O 2.59Å; C1430-D1432 WeakPolarHBondContact CB-OD1 3.4Å; C1430-D1432 PolarHBondContact O-N 2.34Å; C1430-G1433 PolarHBondContact O-N 3.21Å; C1430-T1434 WeakPolarHBondContact CA-O 2.94Å; C1430-T1434 WeakPolarHBondContact CB-O 3.47Å; C1430-T1434 VanDerWaalsContact CB-OG1 3.26Å; C1430-T1434 WeakPolarHBondContact CB-OG1 3.47Å; C1430-T1434 PolarHBondContact N-O 2.72Å; C1430-T1434 PolarHBondContact SG-O 2.86Å; C1430-R1436 VanDerWaalsContact SG-CG 3.55Å; C1430-C1448 HydrophobicContact CB-CB 3.8Å; C1430-C1448 WeakPolarHBondContact CB-SG 3.02Å; C1430-C1448 WeakPolarHBondContact SG-CB 3.34Å; C1430-C1448 CovalentContact SG-SG 1.78Å; C1430-C1448 PolarHBondContact SG-SG 2.85Å | ||
| 1431 | K | 79.2 | Confident | 78.2 | Confident | 128 Ų | 128 | 61 Ų | 61 | 56% | 0.557 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | -27.1 | 0 | -171.9 | 176.3 | -179 | -179.8 | 0 | 110.7 | Y1344 G1433 D1450 S1452 | Y1344-K1431 HydrophobicContact CD1-CB 3.85Å; Y1344-K1431 HydrophobicContact CD1-CG 3.98Å; Y1344-K1431 VanDerWaalsContact CD2-CA 3.42Å; Y1344-K1431 HydrophobicContact CD2-CB 4.36Å; Y1344-K1431 HydrophobicContact CE1-CB 3.93Å; Y1344-K1431 VanDerWaalsContact CE2-CA 3.49Å; Y1344-K1431 HydrophobicContact CE2-CB 4.44Å; Y1344-K1431 HydrophobicContact CG-CB 4.08Å; Y1344-K1431 HydrophobicContact CG-CG 4.1Å; Y1344-K1431 VanDerWaalsContact CZ-N 3.26Å; K1431-G1433 PolarHBondContact O-N 3.32Å; K1431-D1450 WeakPolarHBondContact CA-OD2 3.4Å; K1431-D1450 WeakPolarHBondContact CB-OD2 3.31Å; K1431-D1450 WeakPolarHBondContact CG-OD2 3.47Å; K1431-D1450 PolarHBondContact N-OD2 2.81Å; K1431-S1452 WeakPolarHBondContact CB-OG 3.45Å; K1431-S1452 PolarHBondContact N-OG 3.39Å; K1431-S1452 VanDerWaalsContact N-OG 3.07Å | |
| 1432 | D | 78.7 | Confident | 78.1 | Confident | 82 Ų | 82 | 60.8 Ų | 60.8 | 44% | 0.439 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 0 | -179.1 | 67 | -11.6 | 0 | 0 | 0 | 110.8 | C1430 T1434 P1449 D1450 | C1430-D1432 WeakPolarHBondContact CB-OD1 3.4Å; C1430-D1432 PolarHBondContact O-N 2.34Å; D1432-T1434 WeakPolarHBondContact OD1-CB 3.36Å; D1432-T1434 PolarHBondContact OD1-N 3.02Å; D1432-T1434 PolarHBondContact OD1-OG1 3.18Å; D1432-T1434 PolarHBondContact OD2-OG1 3.46Å; D1432-P1449 WeakPolarHBondContact OD2-CG 3.2Å; D1432-D1450 HydrophobicContact CB-CB 4.31Å; D1432-D1450 PolarHBondContact N-OD2 3.13Å |
| 1433 | G | 74.7 | Confident | 78 | Confident | 44 Ų | 44 | 57.3 Ų | 57.3 | 45% | 0.454 | 32% | 0.321 | S | S | . | . | S | Bend | 0 | -4.8 | 0 | 0 | 0 | 0 | 0 | 0 | 111 | C1430 K1431 | C1430-G1433 PolarHBondContact O-N 3.21Å; K1431-G1433 PolarHBondContact O-N 3.32Å | |
| 1434 | T | 81.1 | Confident | 77.3 | Confident | 53 Ų | 53 | 60.1 Ų | 60.1 | 33% | 0.325 | 35% | 0.351 | S | S | . | . | trans | -80.6 | 136.2 | 179 | 25.1 | 0 | 0 | 0 | 0 | 110.5 | M1429 C1430 D1432 | M1429-T1434 CarbonylContact C-O 3.27Å; M1429-T1434 WeakPolarHBondContact CA-O 3.48Å; C1430-T1434 WeakPolarHBondContact CA-O 2.94Å; C1430-T1434 WeakPolarHBondContact CB-O 3.47Å; C1430-T1434 VanDerWaalsContact CB-OG1 3.26Å; C1430-T1434 WeakPolarHBondContact CB-OG1 3.47Å; C1430-T1434 PolarHBondContact N-O 2.72Å; C1430-T1434 PolarHBondContact SG-O 2.86Å; D1432-T1434 WeakPolarHBondContact OD1-CB 3.36Å; D1432-T1434 PolarHBondContact OD1-N 3.02Å; D1432-T1434 PolarHBondContact OD1-OG1 3.18Å; D1432-T1434 PolarHBondContact OD2-OG1 3.46Å | ||
| 1435 | C | 84.1 | Confident | 76.6 | Confident | 33 Ų | 33 | 62.7 Ų | 62.7 | 22% | 0.223 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 0 | -177.2 | -65.9 | 0 | 0 | 0 | 0 | 110 | C1423 Q1427 F1428 | C1423-C1435 HydrophobicContact CB-CB 3.83Å; C1423-C1435 WeakPolarHBondContact CB-SG 3.32Å; C1423-C1435 WeakPolarHBondContact SG-CB 3.04Å; C1423-C1435 CovalentContact SG-SG 1.88Å; C1423-C1435 PolarHBondContact SG-SG 1.88Å; Q1427-C1435 HydrophobicContact CB-CB 4.36Å; F1428-C1435 CarbonylContact O-C 3.4Å; F1428-C1435 WeakPolarHBondContact O-CA 3.43Å |
| 1436 | R | 81.8 | Confident | 76.7 | Confident | 86 Ų | 86 | 60 Ų | 60 | 33% | 0.325 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 156.1 | 0 | -71 | -71.9 | -171.5 | -121.2 | 0.5 | 110.5 | Q1427 F1428 C1430 D1440 F1441 D1447 | Q1427-R1436 CarbonylContact C-O 3.42Å; Q1427-R1436 WeakPolarHBondContact CA-O 3.39Å; Q1427-R1436 WeakPolarHBondContact CB-O 3.42Å; F1428-R1436 PolarHBondContact N-O 3.33Å; F1428-R1436 PolarHBondContact O-N 2.55Å; C1430-R1436 VanDerWaalsContact SG-CG 3.55Å; R1436-D1440 HydrophobicContact CB-CB 4.31Å; R1436-F1441 HydrophobicContact CB-CE2 3.68Å; R1436-F1441 HydrophobicContact CB-CZ 4.14Å; R1436-F1441 WeakPolarHBondContact O-CE2 3.41Å; R1436-D1447 PolarHBondContact NE-O 2.62Å | |
| 1437 | S | 79.7 | Confident | 77 | Confident | 44 Ų | 44 | 60.2 Ų | 60.2 | 31% | 0.308 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 146 | -178.3 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | T1439 D1440 F1441 | S1437-T1439 PolarHBondContact O-N 3.43Å; S1437-T1439 VanDerWaalsContact O-N 3.14Å; S1437-T1439 PolarHBondContact OG-N 2.73Å; S1437-T1439 PolarHBondContact OG-OG1 2.8Å; S1437-D1440 WeakPolarHBondContact O-CB 3.33Å; S1437-D1440 PolarHBondContact O-N 3.16Å; S1437-F1441 VanDerWaalsContact O-CD2 3.25Å; S1437-F1441 WeakPolarHBondContact O-CD2 3.04Å |
| 1438 | E | 74 | Confident | 76.8 | Confident | 104 Ų | 104 | 58.8 Ų | 58.8 | 49% | 0.486 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -56.3 | 0 | -178.8 | -167.6 | 176.3 | 173.5 | 0 | 0 | 111 | G1426 F1428 D1440 F1441 | G1426-E1438 PolarHBondContact O-N 1.98Å; G1426-E1438 VanDerWaalsContact O-N 3.12Å; F1428-E1438 HydrophobicContact CD2-CB 3.96Å; F1428-E1438 HydrophobicContact CD2-CG 3.55Å; F1428-E1438 HydrophobicContact CE1-CG 4.28Å; F1428-E1438 HydrophobicContact CE2-CB 3.58Å; F1428-E1438 VanDerWaalsContact CE2-CD 3.45Å; F1428-E1438 HydrophobicContact CE2-CG 2.69Å; F1428-E1438 HydrophobicContact CZ-CB 4.08Å; F1428-E1438 HydrophobicContact CZ-CG 3.17Å; F1428-E1438 WeakPolarHBondContact CZ-OE1 3.16Å; E1438-D1440 PolarHBondContact O-N 2.71Å; E1438-F1441 PolarHBondContact O-N 3.19Å |
| 1439 | T | 78.1 | Confident | 76.5 | Confident | 109 Ų | 109 | 62.7 Ų | 62.7 | 67% | 0.669 | 36% | 0.364 | S | S | * | . | G | 310 helix | 0 | 0 | 0 | 52.3 | 0 | 0 | 0 | 0 | 110.1 | S1437 F1441 N1443 | S1437-T1439 PolarHBondContact O-N 3.43Å; S1437-T1439 VanDerWaalsContact O-N 3.14Å; S1437-T1439 PolarHBondContact OG-N 2.73Å; S1437-T1439 PolarHBondContact OG-OG1 2.8Å; T1439-F1441 VanDerWaalsContact C-N 3.35Å; T1439-N1443 PolarHBondContact O-ND2 3.22Å | |
| 1440 | D | 76.3 | Confident | 76 | Confident | 43 Ų | 43 | 64.4 Ų | 64.4 | 23% | 0.23 | 37% | 0.374 | C | S | . | . | G | 310 helix | 0 | -3 | 0 | -71.4 | -22.5 | 0 | 0 | 0 | 110 | R1436 S1437 E1438 N1443 D1447 | R1436-D1440 HydrophobicContact CB-CB 4.31Å; S1437-D1440 WeakPolarHBondContact O-CB 3.33Å; S1437-D1440 PolarHBondContact O-N 3.16Å; E1438-D1440 PolarHBondContact O-N 2.71Å; D1440-N1443 PolarHBondContact O-OD1 3.07Å; D1440-D1447 HydrophobicContact CB-CB 3.73Å | |
| 1441 | F | 78.4 | Confident | 75.5 | Confident | 17 Ų | 17 | 64.9 Ų | 64.9 | 8% | 0.075 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -101.4 | 0 | -177.3 | -74.2 | -100 | 0 | 0 | 0 | 109.1 | F1428 R1436 S1437 E1438 T1439 D1453 Y1458 | F1428-F1441 HydrophobicContact CB-CD1 4.44Å; F1428-F1441 HydrophobicContact CB-CD2 3.76Å; F1428-F1441 HydrophobicContact CB-CE1 4Å; F1428-F1441 HydrophobicContact CB-CE2 3.22Å; F1428-F1441 HydrophobicContact CB-CG 4.33Å; F1428-F1441 HydrophobicContact CB-CZ 3.36Å; F1428-F1441 HydrophobicContact CD2-CB 4.49Å; F1428-F1441 AromaticContact CD2-CD2 3.79Å; F1428-F1441 HydrophobicContact CD2-CD2 3.79Å; F1428-F1441 HydrophobicContact CD2-CE2 4.16Å; F1428-F1441 HydrophobicContact CD2-CG 4.12Å; F1428-F1441 HydrophobicContact CG-CD2 4.3Å; F1428-F1441 HydrophobicContact CG-CE2 4.2Å; F1428-F1441 WeakPolarHBondContact O-CZ 3.38Å; R1436-F1441 HydrophobicContact CB-CE2 3.68Å; R1436-F1441 HydrophobicContact CB-CZ 4.14Å; R1436-F1441 WeakPolarHBondContact O-CE2 3.41Å; S1437-F1441 VanDerWaalsContact O-CD2 3.25Å; S1437-F1441 WeakPolarHBondContact O-CD2 3.04Å; E1438-F1441 PolarHBondContact O-N 3.19Å; T1439-F1441 VanDerWaalsContact C-N 3.35Å; F1441-D1453 HydrophobicContact CD1-CB 3.85Å; F1441-D1453 HydrophobicContact CE1-CB 4.17Å; F1441-D1453 HydrophobicContact CG-CB 4.23Å; F1441-Y1458 HydrophobicContact CB-CD1 3.79Å; F1441-Y1458 HydrophobicContact CB-CE1 4.18Å; F1441-Y1458 HydrophobicContact CB-CG 4.2Å; F1441-Y1458 AromaticContact CD1-CD1 3.53Å; F1441-Y1458 HydrophobicContact CD1-CD1 3.53Å; F1441-Y1458 AromaticContact CD1-CD2 3.26Å; F1441-Y1458 HydrophobicContact CD1-CD2 3.26Å; F1441-Y1458 AromaticContact CD1-CE1 3.71Å; F1441-Y1458 HydrophobicContact CD1-CE1 3.71Å; F1441-Y1458 AromaticContact CD1-CE2 3.45Å; F1441-Y1458 HydrophobicContact CD1-CE2 3.45Å; F1441-Y1458 VanDerWaalsContact CD1-CE2 3.45Å; F1441-Y1458 AromaticContact CD1-CG 3.3Å; F1441-Y1458 HydrophobicContact CD1-CG 3.3Å; F1441-Y1458 AromaticContact CD1-CZ 3.65Å; F1441-Y1458 HydrophobicContact CE1-CD1 4.36Å; F1441-Y1458 AromaticContact CE1-CD2 3.44Å; F1441-Y1458 HydrophobicContact CE1-CD2 3.44Å; F1441-Y1458 VanDerWaalsContact CE1-CD2 3.44Å; F1441-Y1458 HydrophobicContact CE1-CE1 4.22Å; F1441-Y1458 AromaticContact CE1-CE2 3.25Å; F1441-Y1458 HydrophobicContact CE1-CE2 3.25Å; F1441-Y1458 HydrophobicContact CE1-CG 4.01Å; F1441-Y1458 AromaticContact CE1-CZ 3.68Å; F1441-Y1458 AromaticContact CG-CD1 3.87Å; F1441-Y1458 HydrophobicContact CG-CD1 3.87Å; F1441-Y1458 HydrophobicContact CG-CD2 4.35Å; F1441-Y1458 AromaticContact CG-CE1 3.93Å; F1441-Y1458 HydrophobicContact CG-CE1 3.93Å; F1441-Y1458 HydrophobicContact CG-CE2 4.41Å; F1441-Y1458 HydrophobicContact CG-CG 4.09Å; F1441-Y1458 HydrophobicContact CZ-CE2 4.1Å |
| 1442 | C | 73.2 | Confident | 75.5 | Confident | 58 Ų | 58 | 59 Ų | 59 | 39% | 0.392 | 35% | 0.354 | S | S | . | . | S | Bend | 0 | 35 | 0 | -73.7 | 0 | 0 | 0 | 0 | 110.4 | D1453 Y1458 C1459 | C1442-D1453 PolarHBondContact N-O 2.9Å; C1442-Y1458 PolarHBondContact SG-O 2.9Å; C1442-C1459 WeakPolarHBondContact CA-SG 3.32Å; C1442-C1459 WeakPolarHBondContact CB-SG 3.45Å; C1442-C1459 WeakPolarHBondContact SG-CA 3.3Å; C1442-C1459 WeakPolarHBondContact SG-CB 3.18Å; C1442-C1459 CovalentContact SG-SG 1.9Å; C1442-C1459 PolarHBondContact SG-SG 2.96Å | |
| 1443 | N | 73.1 | Confident | 75.5 | Confident | 69 Ų | 69 | 55.1 Ų | 55.1 | 37% | 0.369 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -109.5 | 0 | -178.6 | 63.4 | -6.6 | 0 | 0 | 0 | 110.4 | T1439 D1440 Q1445 D1447 E1454 | T1439-N1443 PolarHBondContact O-ND2 3.22Å; D1440-N1443 PolarHBondContact O-OD1 3.07Å; N1443-Q1445 VanDerWaalsContact C-N 3.26Å; N1443-Q1445 PolarHBondContact O-N 3.19Å; N1443-Q1445 PolarHBondContact OD1-N 2.8Å; N1443-Q1445 PolarHBondContact OD1-O 2.67Å; N1443-D1447 PolarHBondContact ND2-OD2 2.64Å; N1443-D1447 PolarHBondContact OD1-OD2 3.13Å; N1443-E1454 PolarHBondContact N-OE1 2.81Å; N1443-E1454 PolarHBondContact OD1-OE1 3.47Å |
| 1444 | G | 63.7 | Low | 75.7 | Confident | 64 Ų | 64 | 55.4 Ų | 55.4 | 66% | 0.66 | 32% | 0.322 | S | S | * | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1454 | G1444-E1454 VanDerWaalsContact C-CD 3.46Å; G1444-E1454 VanDerWaalsContact CA-CD 3.42Å; G1444-E1454 WeakPolarHBondContact CA-OE1 3.2Å; G1444-E1454 VanDerWaalsContact CA-OE2 3.28Å; G1444-E1454 WeakPolarHBondContact CA-OE2 2.35Å; G1444-E1454 PolarHBondContact N-OE1 3.47Å; G1444-E1454 PolarHBondContact N-OE2 2.71Å | |
| 1445 | Q | 59.8 | Low | 75.1 | Confident | 126 Ų | 126 | 61.1 Ų | 61.1 | 59% | 0.589 | 34% | 0.338 | S | S | * | . | S | Bend | 0 | 133.7 | 0 | -71.2 | -171.4 | -11.8 | 0 | 0 | 110.3 | N1443 D1447 E1454 | N1443-Q1445 VanDerWaalsContact C-N 3.26Å; N1443-Q1445 PolarHBondContact O-N 3.19Å; N1443-Q1445 PolarHBondContact OD1-N 2.8Å; N1443-Q1445 PolarHBondContact OD1-O 2.67Å; Q1445-D1447 PolarHBondContact O-N 3.49Å; Q1445-D1447 VanDerWaalsContact O-OD2 3.09Å; Q1445-E1454 VanDerWaalsContact C-OE1 3.26Å; Q1445-E1454 WeakPolarHBondContact CA-OE1 3.12Å; Q1445-E1454 PolarHBondContact N-OE1 3Å; Q1445-E1454 VanDerWaalsContact O-CG 3.29Å; Q1445-E1454 WeakPolarHBondContact O-CG 3.3Å | |
| 1446 | V | 75 | Confident | 73.8 | Confident | 107 Ų | 107 | 61.5 Ų | 61.5 | 65% | 0.648 | 34% | 0.34 | S | S | * | . | trans | -74.7 | 90.3 | 179.3 | 176.4 | 0 | 0 | 0 | 0 | 108.9 | C1448 E1454 | V1446-C1448 WeakPolarHBondContact CG1-O 2.78Å; V1446-E1454 HydrophobicContact CG2-CG 4.44Å | ||
| 1447 | D | 76.6 | Confident | 72.8 | Confident | 40 Ų | 40 | 58.3 Ų | 58.3 | 21% | 0.214 | 33% | 0.33 | C | S | . | . | trans | -92.9 | 0 | -175.9 | -63.4 | -59.1 | 0 | 0 | 0 | 110.4 | R1436 D1440 N1443 Q1445 D1453 | R1436-D1447 PolarHBondContact NE-O 2.62Å; D1440-D1447 HydrophobicContact CB-CB 3.73Å; N1443-D1447 PolarHBondContact ND2-OD2 2.64Å; N1443-D1447 PolarHBondContact OD1-OD2 3.13Å; Q1445-D1447 PolarHBondContact O-N 3.49Å; Q1445-D1447 VanDerWaalsContact O-OD2 3.09Å; D1447-D1453 VanDerWaalsContact CB-OD2 3.29Å; D1447-D1453 WeakPolarHBondContact CB-OD2 3.46Å; D1447-D1453 VanDerWaalsContact N-CG 3.32Å; D1447-D1453 PolarHBondContact N-OD1 2.9Å; D1447-D1453 PolarHBondContact N-OD2 2.76Å | ||
| 1448 | C | 78.5 | Confident | 72.4 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.007 | 32% | 0.317 | C | S | . | . | S | Bend | 0 | 0 | 0 | -79.5 | 0 | 0 | 0 | 0 | 109.5 | C1430 V1446 D1450 G1451 D1453 | C1430-C1448 HydrophobicContact CB-CB 3.8Å; C1430-C1448 WeakPolarHBondContact CB-SG 3.02Å; C1430-C1448 WeakPolarHBondContact SG-CB 3.34Å; C1430-C1448 CovalentContact SG-SG 1.78Å; C1430-C1448 PolarHBondContact SG-SG 2.85Å; V1446-C1448 WeakPolarHBondContact CG1-O 2.78Å; C1448-D1450 VanDerWaalsContact CB-OD1 3.27Å; C1448-D1450 WeakPolarHBondContact CB-OD1 3.5Å; C1448-D1450 PolarHBondContact O-N 2.69Å; C1448-G1451 WeakPolarHBondContact O-CA 3.36Å; C1448-G1451 PolarHBondContact O-N 3.24Å; C1448-D1453 HydrophobicContact CB-CB 4.09Å; C1448-D1453 PolarHBondContact N-OD1 3.44Å; C1448-D1453 VanDerWaalsContact N-OD1 3.15Å | |
| 1449 | P | 74.2 | Confident | 72 | Confident | 92 Ų | 92 | 52.6 Ų | 52.6 | 60% | 0.597 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | -29.4 | 0 | -9.4 | 12.3 | 0 | 0 | 0 | 111.8 | D1432 | D1432-P1449 WeakPolarHBondContact OD2-CG 3.2Š| |
| 1450 | D | 72.9 | Confident | 70.9 | Confident | 53 Ų | 53 | 56 Ų | 56 | 28% | 0.283 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 2.5 | 179.1 | 68.4 | -29.1 | 0 | 0 | 0 | 110.7 | K1431 D1432 C1448 S1452 | K1431-D1450 WeakPolarHBondContact CA-OD2 3.4Å; K1431-D1450 WeakPolarHBondContact CB-OD2 3.31Å; K1431-D1450 WeakPolarHBondContact CG-OD2 3.47Å; K1431-D1450 PolarHBondContact N-OD2 2.81Å; D1432-D1450 HydrophobicContact CB-CB 4.31Å; D1432-D1450 PolarHBondContact N-OD2 3.13Å; C1448-D1450 VanDerWaalsContact CB-OD1 3.27Å; C1448-D1450 WeakPolarHBondContact CB-OD1 3.5Å; C1448-D1450 PolarHBondContact O-N 2.69Å; D1450-S1452 VanDerWaalsContact CG-CB 3.42Å; D1450-S1452 PolarHBondContact O-N 3.21Å; D1450-S1452 WeakPolarHBondContact OD1-CB 3.44Å; D1450-S1452 PolarHBondContact OD1-N 2.87Å; D1450-S1452 PolarHBondContact OD1-OG 3.47Å; D1450-S1452 WeakPolarHBondContact OD2-CB 3.26Å; D1450-S1452 PolarHBondContact OD2-OG 2.86Å |
| 1451 | G | 72.8 | Confident | 69.4 | Low | 9 Ų | 9 | 60.3 Ų | 60.3 | 9% | 0.093 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 73.3 | 15.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | C1448 D1453 | C1448-G1451 WeakPolarHBondContact O-CA 3.36Å; C1448-G1451 PolarHBondContact O-N 3.24Å; G1451-D1453 PolarHBondContact O-N 3.28Å |
| 1452 | S | 78.6 | Confident | 67.7 | Low | 6 Ų | 6 | 64.7 Ų | 64.7 | 4% | 0.042 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -76.5 | -20.1 | -171.9 | 7.7 | 0 | 0 | 0 | 0 | 110.6 | K1431 D1450 E1454 R1455 | K1431-S1452 WeakPolarHBondContact CB-OG 3.45Å; K1431-S1452 PolarHBondContact N-OG 3.39Å; K1431-S1452 VanDerWaalsContact N-OG 3.07Å; D1450-S1452 VanDerWaalsContact CG-CB 3.42Å; D1450-S1452 PolarHBondContact O-N 3.21Å; D1450-S1452 WeakPolarHBondContact OD1-CB 3.44Å; D1450-S1452 PolarHBondContact OD1-N 2.87Å; D1450-S1452 PolarHBondContact OD1-OG 3.47Å; D1450-S1452 WeakPolarHBondContact OD2-CB 3.26Å; D1450-S1452 PolarHBondContact OD2-OG 2.86Å; S1452-E1454 PolarHBondContact O-N 3.42Å; S1452-R1455 PolarHBondContact O-N 3.33Å |
| 1453 | D | 79.8 | Confident | 66.4 | Low | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -70.7 | -14.8 | -177.4 | 62.6 | -44.4 | 0 | 0 | 0 | 110.5 | F1441 C1442 D1447 C1448 G1451 | F1441-D1453 HydrophobicContact CD1-CB 3.85Å; F1441-D1453 HydrophobicContact CE1-CB 4.17Å; F1441-D1453 HydrophobicContact CG-CB 4.23Å; C1442-D1453 PolarHBondContact N-O 2.9Å; D1447-D1453 VanDerWaalsContact CB-OD2 3.29Å; D1447-D1453 WeakPolarHBondContact CB-OD2 3.46Å; D1447-D1453 VanDerWaalsContact N-CG 3.32Å; D1447-D1453 PolarHBondContact N-OD1 2.9Å; D1447-D1453 PolarHBondContact N-OD2 2.76Å; C1448-D1453 HydrophobicContact CB-CB 4.09Å; C1448-D1453 PolarHBondContact N-OD1 3.44Å; C1448-D1453 VanDerWaalsContact N-OD1 3.15Å; G1451-D1453 PolarHBondContact O-N 3.28Å |
| 1454 | E | 77.5 | Confident | 65.7 | Low | 50 Ų | 50 | 67.9 Ų | 67.9 | 23% | 0.234 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -114 | 9 | 179.3 | -60.5 | -75.4 | 168.5 | 0 | 0 | 110.1 | N1443 G1444 Q1445 V1446 S1452 | N1443-E1454 PolarHBondContact N-OE1 2.81Å; N1443-E1454 PolarHBondContact OD1-OE1 3.47Å; G1444-E1454 VanDerWaalsContact C-CD 3.46Å; G1444-E1454 VanDerWaalsContact CA-CD 3.42Å; G1444-E1454 WeakPolarHBondContact CA-OE1 3.2Å; G1444-E1454 VanDerWaalsContact CA-OE2 3.28Å; G1444-E1454 WeakPolarHBondContact CA-OE2 2.35Å; G1444-E1454 PolarHBondContact N-OE1 3.47Å; G1444-E1454 PolarHBondContact N-OE2 2.71Å; Q1445-E1454 VanDerWaalsContact C-OE1 3.26Å; Q1445-E1454 WeakPolarHBondContact CA-OE1 3.12Å; Q1445-E1454 PolarHBondContact N-OE1 3Å; Q1445-E1454 VanDerWaalsContact O-CG 3.29Å; Q1445-E1454 WeakPolarHBondContact O-CG 3.3Å; V1446-E1454 HydrophobicContact CG2-CG 4.44Å; S1452-E1454 PolarHBondContact O-N 3.42Å |
| 1455 | R | 69.8 | Low | 66.1 | Low | 172 Ų | 172 | 65.1 Ų | 65.1 | 65% | 0.649 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -122.2 | 0 | 178.3 | -68.6 | -179 | -177.2 | -175.7 | 0.9 | 109.9 | S1452 Y1458 | S1452-R1455 PolarHBondContact O-N 3.33Å; R1455-Y1458 PolarHBondContact O-N 2.96Å |
| 1456 | P | 56.8 | Low | 66.9 | Low | 41 Ų | 41 | 61 Ų | 61 | 27% | 0.266 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -18.7 | 25.9 | 0 | 0 | 0 | 111.6 | N1375 | N1375-P1456 WeakPolarHBondContact OD1-CB 3.07Š| |
| 1457 | P | 61 | Low | 67.3 | Low | 19 Ų | 19 | 56.2 Ų | 56.2 | 12% | 0.123 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 25 | -25.3 | 0 | 0 | 0 | 111.7 | Y1344 H1392 G1393 T1395 | Y1344-P1457 HydrophobicContact CD1-CG 4.41Å; Y1344-P1457 HydrophobicContact CE1-CG 4.39Å; H1392-P1457 HydrophobicContact CB-CB 4.34Å; H1392-P1457 HydrophobicContact CB-CG 4.18Å; G1393-P1457 WeakPolarHBondContact O-CB 2.75Å; G1393-P1457 WeakPolarHBondContact O-CG 3.44Å; T1395-P1457 HydrophobicContact CG2-CB 4.06Å; T1395-P1457 HydrophobicContact CG2-CG 3.57Å | |
| 1458 | Y | 70.2 | Confident | 67.5 | Low | 10 Ų | 10 | 60.7 Ų | 60.7 | 4% | 0.039 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | 0 | -23.6 | 0 | -102.2 | -77.8 | 0 | 0 | 0 | 110.4 | Y1344 T1395 K1397 F1428 F1441 C1442 R1455 | Y1344-Y1458 WeakPolarHBondContact OH-CD2 3.44Å; Y1344-Y1458 WeakPolarHBondContact OH-CE2 3.28Å; T1395-Y1458 HydrophobicContact CG2-CD1 4.31Å; T1395-Y1458 HydrophobicContact CG2-CD2 3.4Å; T1395-Y1458 VanDerWaalsContact CG2-CD2 3.4Å; T1395-Y1458 HydrophobicContact CG2-CE1 4.32Å; T1395-Y1458 HydrophobicContact CG2-CE2 3.41Å; T1395-Y1458 VanDerWaalsContact CG2-CE2 3.41Å; T1395-Y1458 HydrophobicContact CG2-CG 3.88Å; K1397-Y1458 HydrophobicContact CG-CE1 4.22Å; F1428-Y1458 WeakPolarHBondContact CA-OH 3.14Å; F1428-Y1458 HydrophobicContact CB-CE1 3.87Å; F1428-Y1458 HydrophobicContact CB-CE2 4.09Å; F1428-Y1458 WeakPolarHBondContact CB-OH 3.01Å; F1428-Y1458 HydrophobicContact CD1-CE1 4.37Å; F1428-Y1458 WeakPolarHBondContact CD1-OH 3.43Å; F1428-Y1458 HydrophobicContact CD2-CD1 4.33Å; F1428-Y1458 AromaticContact CD2-CE1 3.23Å; F1428-Y1458 HydrophobicContact CD2-CE1 3.23Å; F1428-Y1458 AromaticContact CD2-CZ 3.61Å; F1428-Y1458 VanDerWaalsContact CD2-OH 3.29Å; F1428-Y1458 WeakPolarHBondContact CD2-OH 3.4Å; F1428-Y1458 AromaticContact CE2-CE1 3.79Å; F1428-Y1458 HydrophobicContact CE2-CE1 3.79Å; F1428-Y1458 AromaticContact CG-CE1 3.58Å; F1428-Y1458 HydrophobicContact CG-CE1 3.58Å; F1428-Y1458 AromaticContact CG-CZ 3.42Å; F1428-Y1458 VanDerWaalsContact CG-CZ 3.42Å; F1428-Y1458 WeakPolarHBondContact CG-OH 3.22Å; F1441-Y1458 HydrophobicContact CB-CD1 3.79Å; F1441-Y1458 HydrophobicContact CB-CE1 4.18Å; F1441-Y1458 HydrophobicContact CB-CG 4.2Å; F1441-Y1458 AromaticContact CD1-CD1 3.53Å; F1441-Y1458 HydrophobicContact CD1-CD1 3.53Å; F1441-Y1458 AromaticContact CD1-CD2 3.26Å; F1441-Y1458 HydrophobicContact CD1-CD2 3.26Å; F1441-Y1458 AromaticContact CD1-CE1 3.71Å; F1441-Y1458 HydrophobicContact CD1-CE1 3.71Å; F1441-Y1458 AromaticContact CD1-CE2 3.45Å; F1441-Y1458 HydrophobicContact CD1-CE2 3.45Å; F1441-Y1458 VanDerWaalsContact CD1-CE2 3.45Å; F1441-Y1458 AromaticContact CD1-CG 3.3Å; F1441-Y1458 HydrophobicContact CD1-CG 3.3Å; F1441-Y1458 AromaticContact CD1-CZ 3.65Å; F1441-Y1458 HydrophobicContact CE1-CD1 4.36Å; F1441-Y1458 AromaticContact CE1-CD2 3.44Å; F1441-Y1458 HydrophobicContact CE1-CD2 3.44Å; F1441-Y1458 VanDerWaalsContact CE1-CD2 3.44Å; F1441-Y1458 HydrophobicContact CE1-CE1 4.22Å; F1441-Y1458 AromaticContact CE1-CE2 3.25Å; F1441-Y1458 HydrophobicContact CE1-CE2 3.25Å; F1441-Y1458 HydrophobicContact CE1-CG 4.01Å; F1441-Y1458 AromaticContact CE1-CZ 3.68Å; F1441-Y1458 AromaticContact CG-CD1 3.87Å; F1441-Y1458 HydrophobicContact CG-CD1 3.87Å; F1441-Y1458 HydrophobicContact CG-CD2 4.35Å; F1441-Y1458 AromaticContact CG-CE1 3.93Å; F1441-Y1458 HydrophobicContact CG-CE1 3.93Å; F1441-Y1458 HydrophobicContact CG-CE2 4.41Å; F1441-Y1458 HydrophobicContact CG-CG 4.09Å; F1441-Y1458 HydrophobicContact CZ-CE2 4.1Å; C1442-Y1458 PolarHBondContact SG-O 2.9Å; R1455-Y1458 PolarHBondContact O-N 2.96Å | |
| 1459 | C | 65.3 | Low | 67.7 | Low | 19 Ų | 19 | 63.9 Ų | 63.9 | 13% | 0.128 | 31% | 0.308 | C | S | . | . | trans | -120.4 | 0 | -179 | -66.8 | 0 | 0 | 0 | 0 | 109.6 | C1442 Q1461 | C1442-C1459 WeakPolarHBondContact CA-SG 3.32Å; C1442-C1459 WeakPolarHBondContact CB-SG 3.45Å; C1442-C1459 WeakPolarHBondContact SG-CA 3.3Å; C1442-C1459 WeakPolarHBondContact SG-CB 3.18Å; C1442-C1459 CovalentContact SG-SG 1.9Å; C1442-C1459 PolarHBondContact SG-SG 2.96Å; C1459-Q1461 PolarHBondContact O-N 3.17Å | ||
| 1460 | R | 56 | Low | 67.8 | Low | 181 Ų | 181 | 62.6 Ų | 62.6 | 68% | 0.683 | 30% | 0.301 | S | S | * | . | 0 | 1.9 | 0 | -101.7 | -175.3 | -173.6 | 161.2 | 0.6 | 110.5 | |||||
| 1461 | Q | 44.7 | Very low | 68.1 | Low | 133 Ų | 133 | 64.6 Ų | 64.6 | 62% | 0.621 | 31% | 0.311 | S | S | * | . | trans | -126.6 | 98.8 | -168.2 | -110 | 173.6 | -8.6 | 0 | 0 | 109.5 | C1459 I1463 | C1459-Q1461 PolarHBondContact O-N 3.17Å; Q1461-I1463 PolarHBondContact O-N 2.81Å | ||
| 1462 | I | 42.6 | Very low | 68.6 | Low | 108 Ų | 108 | 64.8 Ų | 64.8 | 55% | 0.554 | 31% | 0.31 | S | S | * | . | trans | -50.8 | 90.8 | 160.2 | -61.2 | 164.2 | 0 | 0 | 0 | 109.5 | P1374 Q1464 | P1374-I1462 HydrophobicContact CB-CD1 3.93Å; P1374-I1462 HydrophobicContact CG-CD1 4.31Å; I1462-Q1464 PolarHBondContact O-N 2.9Å | ||
| 1463 | I | 45.8 | Very low | 68.6 | Low | 92 Ų | 92 | 70 Ų | 70 | 47% | 0.472 | 33% | 0.333 | S | S | . | . | trans | -39 | 94.5 | 179.2 | -62.3 | 168.8 | 0 | 0 | 0 | 109.3 | Q1461 V1465 E1466 | Q1461-I1463 PolarHBondContact O-N 2.81Å; I1463-V1465 WeakPolarHBondContact CG2-O 2.94Å; I1463-E1466 HydrophobicContact CG2-CB 4.21Å | ||
| 1464 | Q | 58.3 | Low | 68.7 | Low | 103 Ų | 103 | 70.9 Ų | 70.9 | 48% | 0.481 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -73.4 | -20.1 | -179.6 | -70 | -173.6 | -37.3 | 0 | 0 | 110.6 | I1462 H1487 V1488 | I1462-Q1464 PolarHBondContact O-N 2.9Å; Q1464-H1487 WeakPolarHBondContact O-CB 3.13Å; Q1464-H1487 PolarHBondContact O-N 3.07Å; Q1464-V1488 HydrophobicContact CB-CG2 4.01Å; Q1464-V1488 HydrophobicContact CG-CG2 4.31Å |
| 1465 | V | 71.7 | Confident | 68.8 | Low | 6 Ų | 6 | 73.2 Ų | 73.2 | 4% | 0.036 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 142 | -179.1 | -64.6 | 0 | 0 | 0 | 0 | 108.3 | I1463 I1485 F1540 L1543 E1544 R1546 | I1463-V1465 WeakPolarHBondContact CG2-O 2.94Å; V1465-I1485 CarbonylContact C-O 3.59Å; V1465-I1485 VanDerWaalsContact CA-O 3.32Å; V1465-I1485 WeakPolarHBondContact CA-O 3.32Å; V1465-F1540 HydrophobicContact CB-CD1 4.36Å; V1465-F1540 HydrophobicContact CB-CD2 3.81Å; V1465-F1540 HydrophobicContact CB-CE1 4.28Å; V1465-F1540 HydrophobicContact CB-CE2 3.72Å; V1465-F1540 HydrophobicContact CB-CG 4.13Å; V1465-F1540 HydrophobicContact CB-CZ 3.96Å; V1465-F1540 HydrophobicContact CG1-CB 4.01Å; V1465-F1540 HydrophobicContact CG1-CD1 3.9Å; V1465-F1540 HydrophobicContact CG1-CD2 3.78Å; V1465-F1540 HydrophobicContact CG1-CE1 4.29Å; V1465-F1540 HydrophobicContact CG1-CE2 4.18Å; V1465-F1540 HydrophobicContact CG1-CG 3.62Å; V1465-F1540 HydrophobicContact CG1-CZ 4.42Å; V1465-F1540 HydrophobicContact CG2-CD2 4.22Å; V1465-F1540 HydrophobicContact CG2-CE2 4.21Å; V1465-L1543 HydrophobicContact CG1-CB 3.89Å; V1465-L1543 HydrophobicContact CG1-CD1 3.52Å; V1465-L1543 HydrophobicContact CG1-CG 4.35Å; V1465-E1544 WeakPolarHBondContact CG2-O 3.17Å; V1465-R1546 HydrophobicContact CG2-CG 4.17Å |
| 1466 | E | 76.8 | Confident | 69.1 | Low | 38 Ų | 38 | 65.4 Ų | 65.4 | 18% | 0.178 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 0 | -173.4 | -179.9 | -178.4 | -179.8 | 0 | 0 | 109.1 | I1463 R1468 I1485 H1487 | I1463-E1466 HydrophobicContact CG2-CB 4.21Å; E1466-R1468 HydrophobicContact CG-CG 4.27Å; E1466-R1468 WeakPolarHBondContact OE1-CD 3.24Å; E1466-R1468 WeakPolarHBondContact OE1-CG 3.05Å; E1466-R1468 IonicContact OE1-CZ 2.56Å; E1466-R1468 IonicContact OE1-NE 2.11Å; E1466-R1468 PolarHBondContact OE1-NE 2.95Å; E1466-R1468 IonicContact OE1-NH2 3.25Å; E1466-R1468 PolarHBondContact OE1-NH2 2.31Å; E1466-R1468 VanDerWaalsContact OE1-NH2 3.13Å; E1466-R1468 IonicContact OE2-CZ 3.33Å; E1466-R1468 IonicContact OE2-NE 3.78Å; E1466-R1468 PolarHBondContact OE2-NE 3.39Å; E1466-R1468 IonicContact OE2-NH2 3.55Å; E1466-R1468 PolarHBondContact OE2-NH2 3.36Å; E1466-R1468 VanDerWaalsContact OE2-NH2 3.11Å; E1466-I1485 HydrophobicContact CB-CB 4.41Å; E1466-I1485 PolarHBondContact N-O 3.24Å; E1466-I1485 WeakPolarHBondContact O-CA 3.45Å; E1466-I1485 PolarHBondContact O-N 3.26Å; E1466-I1485 VanDerWaalsContact O-O 3.12Å; E1466-H1487 IonicContact OE2-CE1 2.31Å; E1466-H1487 IonicContact OE2-NE2 3.83Å; E1466-H1487 PolarHBondContact OE2-NE2 1.95Å; E1466-H1487 VanDerWaalsContact OE2-NE2 3.08Å |
| 1467 | I | 83.3 | Confident | 70.3 | Confident | 8 Ų | 8 | 64.6 Ų | 64.6 | 4% | 0.041 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 126.2 | 0 | -63 | 175.4 | 0 | 0 | 0 | 108.7 | S1470 F1482 E1483 C1538 R1546 | I1467-S1470 PolarHBondContact O-N 2.88Å; I1467-F1482 HydrophobicContact CG2-CD2 3.74Å; I1467-F1482 HydrophobicContact CG2-CE2 4.42Å; I1467-E1483 CarbonylContact C-O 3.4Å; I1467-E1483 WeakPolarHBondContact CA-O 3.19Å; I1467-C1538 HydrophobicContact CD1-CB 3.82Å; I1467-C1538 HydrophobicContact CG1-CB 4.05Å; I1467-R1546 HydrophobicContact CD1-CB 3.21Å; I1467-R1546 VanDerWaalsContact CD1-O 3.3Å; I1467-R1546 WeakPolarHBondContact CD1-O 3.48Å; I1467-R1546 HydrophobicContact CG1-CB 3.76Å | |
| 1468 | R | 81.9 | Confident | 71.3 | Confident | 134 Ų | 134 | 69.6 Ų | 69.6 | 51% | 0.506 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 117 | -176 | -99.2 | -175.7 | -140.4 | -154.6 | -2.8 | 109.5 | E1466 F1482 E1483 I1485 | E1466-R1468 HydrophobicContact CG-CG 4.27Å; E1466-R1468 WeakPolarHBondContact OE1-CD 3.24Å; E1466-R1468 WeakPolarHBondContact OE1-CG 3.05Å; E1466-R1468 IonicContact OE1-CZ 2.56Å; E1466-R1468 IonicContact OE1-NE 2.11Å; E1466-R1468 PolarHBondContact OE1-NE 2.95Å; E1466-R1468 IonicContact OE1-NH2 3.25Å; E1466-R1468 PolarHBondContact OE1-NH2 2.31Å; E1466-R1468 VanDerWaalsContact OE1-NH2 3.13Å; E1466-R1468 IonicContact OE2-CZ 3.33Å; E1466-R1468 IonicContact OE2-NE 3.78Å; E1466-R1468 PolarHBondContact OE2-NE 3.39Å; E1466-R1468 IonicContact OE2-NH2 3.55Å; E1466-R1468 PolarHBondContact OE2-NH2 3.36Å; E1466-R1468 VanDerWaalsContact OE2-NH2 3.11Å; R1468-F1482 CarbonylContact O-C 3.42Å; R1468-F1482 WeakPolarHBondContact O-CA 3.16Å; R1468-E1483 PolarHBondContact N-O 2.94Å; R1468-E1483 PolarHBondContact O-N 3.49Å; R1468-I1485 HydrophobicContact CB-CD1 4.48Å |
| 1469 | P | 81 | Confident | 71.9 | Confident | 68 Ų | 68 | 72.7 Ų | 72.7 | 44% | 0.442 | 35% | 0.354 | S | S | . | . | S | Bend | cis | -80.1 | 0 | -16.2 | 23.6 | -24.3 | 0 | 0 | 0 | 111.6 | I1471 I1472 T1548 | P1469-I1471 VanDerWaalsContact C-N 3.33Å; P1469-I1472 HydrophobicContact CG-CD1 4.33Å; P1469-I1472 HydrophobicContact CG-CG1 3.71Å; P1469-T1548 PolarHBondContact O-OG1 2.94Å |
| 1470 | S | 77.7 | Confident | 73 | Confident | 65 Ų | 65 | 72.5 Ų | 72.5 | 46% | 0.455 | 35% | 0.351 | S | S | . | . | S | Bend | 0 | 0 | 0 | 52.5 | 0 | 0 | 0 | 0 | 111 | I1467 T1548 V1549 | I1467-S1470 PolarHBondContact O-N 2.88Å; S1470-T1548 CarbonylContact O-C 3.14Å; S1470-T1548 WeakPolarHBondContact O-CA 3.4Å; S1470-T1548 PolarHBondContact O-OG1 3.04Å; S1470-V1549 PolarHBondContact O-N 3.48Å | |
| 1471 | I | 79.7 | Confident | 74.5 | Confident | 95 Ų | 95 | 68.2 Ų | 68.2 | 49% | 0.487 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 122.3 | 0 | -64.9 | 170.5 | 0 | 0 | 0 | 108.2 | P1469 V1549 | P1469-I1471 VanDerWaalsContact C-N 3.33Å; I1471-V1549 CarbonylContact C-O 3.56Å; I1471-V1549 VanDerWaalsContact CA-O 3.31Å; I1471-V1549 WeakPolarHBondContact CA-O 3.48Å | |
| 1472 | I | 81.7 | Confident | 76.7 | Confident | 13 Ų | 13 | 61.9 Ų | 61.9 | 7% | 0.067 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 118 | 179.7 | -62.4 | 169.8 | 0 | 0 | 0 | 108.9 | P1469 V1474 F1480 F1482 V1549 I1550 E1551 | P1469-I1472 HydrophobicContact CG-CD1 4.33Å; P1469-I1472 HydrophobicContact CG-CG1 3.71Å; I1472-V1474 HydrophobicContact CG2-CB 4.4Å; I1472-V1474 HydrophobicContact CG2-CG1 3.29Å; I1472-V1474 HydrophobicContact CG2-CG2 4.33Å; I1472-F1480 HydrophobicContact CD1-CD2 3.57Å; I1472-F1480 HydrophobicContact CD1-CE2 4.16Å; I1472-F1480 HydrophobicContact CD1-CG 4.46Å; I1472-F1480 HydrophobicContact CG2-CB 3.6Å; I1472-F1480 HydrophobicContact CG2-CD2 3.89Å; I1472-F1480 HydrophobicContact CG2-CG 3.78Å; I1472-F1482 HydrophobicContact CD1-CB 3.7Å; I1472-F1482 HydrophobicContact CD1-CD1 4.02Å; I1472-F1482 HydrophobicContact CD1-CG 4.25Å; I1472-V1549 PolarHBondContact N-O 3.39Å; I1472-I1550 CarbonylContact O-C 3.44Å; I1472-I1550 WeakPolarHBondContact O-CA 3.11Å; I1472-E1551 PolarHBondContact O-N 2.75Å |
| 1473 | H | 80.1 | Confident | 79 | Confident | 114 Ų | 114 | 58.6 Ų | 58.6 | 53% | 0.528 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 111.7 | 173.1 | -78.1 | -79.5 | 0 | 0 | 0 | 109.8 | E1551 | H1473-E1551 CarbonylContact C-O 3.57Å; H1473-E1551 WeakPolarHBondContact CA-O 3.39Å; H1473-E1551 IonicContact CD2-OE2 3.22Å; H1473-E1551 VanDerWaalsContact CE1-CB 3.45Å; H1473-E1551 WeakPolarHBondContact CE1-CB 3.35Å; H1473-E1551 IonicContact CE1-OE1 3.64Å; H1473-E1551 CovalentContact CE1-OE2 1.72Å; H1473-E1551 IonicContact CE1-OE2 3.08Å; H1473-E1551 PolarHBondContact CE1-OE2 3.11Å; H1473-E1551 IonicContact CG-OE2 2.54Å; H1473-E1551 WeakPolarHBondContact ND1-CB 3.38Å; H1473-E1551 IonicContact ND1-OE2 3.09Å; H1473-E1551 PolarHBondContact ND1-OE2 2.8Å; H1473-E1551 IonicContact NE2-OE2 3.08Å; H1473-E1551 PolarHBondContact NE2-OE2 3.37Å |
| 1474 | V | 80.6 | Confident | 81.1 | Confident | 19 Ų | 19 | 54.2 Ų | 54.2 | 12% | 0.115 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 142.3 | -174.7 | -70.8 | 0 | 0 | 0 | 0 | 108.3 | I1472 F1480 I1550 E1551 I1552 E1553 | I1472-V1474 HydrophobicContact CG2-CB 4.4Å; I1472-V1474 HydrophobicContact CG2-CG1 3.29Å; I1472-V1474 HydrophobicContact CG2-CG2 4.33Å; V1474-F1480 HydrophobicContact CB-CD1 4.31Å; V1474-F1480 HydrophobicContact CG1-CB 3.53Å; V1474-F1480 HydrophobicContact CG1-CD1 4.12Å; V1474-F1480 HydrophobicContact CG1-CG 4.09Å; V1474-F1480 HydrophobicContact CG2-CD1 3.65Å; V1474-F1480 HydrophobicContact CG2-CE1 4.08Å; V1474-F1480 HydrophobicContact CG2-CG 4.34Å; V1474-I1550 HydrophobicContact CG2-CG2 4.31Å; V1474-E1551 PolarHBondContact N-O 2.58Å; V1474-I1552 HydrophobicContact CG2-CG1 4.03Å; V1474-I1552 CarbonylContact O-C 3.54Å; V1474-I1552 WeakPolarHBondContact O-CA 3.28Å; V1474-E1553 PolarHBondContact O-N 3.03Å |
| 1475 | Q | 79.1 | Confident | 82.3 | Confident | 100 Ų | 100 | 49.5 Ų | 49.5 | 47% | 0.467 | 25% | 0.247 | S | C | . | . | trans | -70.1 | 0 | 173.4 | -69.5 | -151.4 | -27.1 | 0 | 0 | 110.6 | Y1477 K1478 E1553 | Q1475-Y1477 PolarHBondContact O-N 3.34Å; Q1475-K1478 HydrophobicContact CB-CB 4.46Å; Q1475-K1478 HydrophobicContact CB-CG 3.89Å; Q1475-K1478 VanDerWaalsContact O-CB 3.23Å; Q1475-K1478 WeakPolarHBondContact O-CB 3.44Å; Q1475-K1478 PolarHBondContact O-N 2.97Å; Q1475-K1478 VanDerWaalsContact O-N 3.08Å; Q1475-E1553 VanDerWaalsContact CD-OE2 3.31Å; Q1475-E1553 HydrophobicContact CG-CB 4.36Å; Q1475-E1553 WeakPolarHBondContact CG-OE2 3.4Å; Q1475-E1553 PolarHBondContact NE2-OE2 2.5Å | ||
| 1476 | P | 77.9 | Confident | 82.4 | Confident | 8 Ų | 8 | 49.5 Ų | 49.5 | 5% | 0.052 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -21 | 28.6 | 0 | 0 | 0 | 112 | K1478 L1527 D1529 I1552 E1553 P1555 | P1476-K1478 VanDerWaalsContact C-N 3.3Å; P1476-K1478 PolarHBondContact O-N 2.89Å; P1476-L1527 CarbonylContact C-O 3.5Å; P1476-L1527 VanDerWaalsContact CA-O 3.25Å; P1476-L1527 WeakPolarHBondContact CA-O 3.47Å; P1476-D1529 HydrophobicContact CB-CB 4.39Å; P1476-D1529 HydrophobicContact CG-CB 3.78Å; P1476-I1552 HydrophobicContact CB-CG2 4.22Å; P1476-I1552 HydrophobicContact CG-CG2 3.84Å; P1476-E1553 WeakPolarHBondContact CD-O 3.4Å; P1476-E1553 VanDerWaalsContact CG-O 3.23Å; P1476-E1553 WeakPolarHBondContact CG-O 3.46Å; P1476-P1555 HydrophobicContact CG-CG 4.08Å | |
| 1477 | Y | 81.1 | Confident | 82.4 | Confident | 24 Ų | 24 | 52.2 Ų | 52.2 | 9% | 0.094 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -57.2 | -69.3 | 0 | 0 | 0 | 110 | Q1475 Y1525 L1527 T1528 Q1562 M1564 Y1591 | Q1475-Y1477 PolarHBondContact O-N 3.34Å; Y1477-Y1525 CarbonylContact C-O 3.4Å; Y1477-L1527 PolarHBondContact N-O 2.53Å; Y1477-T1528 HydrophobicContact CD1-CG2 3.99Å; Y1477-T1528 HydrophobicContact CE1-CG2 3.33Å; Y1477-Q1562 WeakPolarHBondContact CE2-O 3.1Å; Y1477-Q1562 VanDerWaalsContact CZ-O 3.25Å; Y1477-Q1562 PolarHBondContact OH-O 1.79Å; Y1477-M1564 HydrophobicContact CD1-CE 4.26Å; Y1477-M1564 HydrophobicContact CD1-CG 4.47Å; Y1477-M1564 HydrophobicContact CD2-CG 4.36Å; Y1477-M1564 HydrophobicContact CG-CE 4.49Å; Y1477-M1564 HydrophobicContact CG-CG 4.19Å; Y1477-Y1591 HydrophobicContact CD1-CD1 4.25Å; Y1477-Y1591 HydrophobicContact CD1-CD2 4.2Å; Y1477-Y1591 AromaticContact CD1-CE1 3.63Å; Y1477-Y1591 HydrophobicContact CD1-CE1 3.63Å; Y1477-Y1591 AromaticContact CD1-CE2 3.57Å; Y1477-Y1591 HydrophobicContact CD1-CE2 3.57Å; Y1477-Y1591 AromaticContact CD1-CZ 3.23Å; Y1477-Y1591 WeakPolarHBondContact CD1-OH 3.14Å; Y1477-Y1591 HydrophobicContact CE1-CD1 4.28Å; Y1477-Y1591 AromaticContact CE1-CD2 3.9Å; Y1477-Y1591 HydrophobicContact CE1-CD2 3.9Å; Y1477-Y1591 HydrophobicContact CE1-CE1 4.1Å; Y1477-Y1591 AromaticContact CE1-CE2 3.7Å; Y1477-Y1591 HydrophobicContact CE1-CE2 3.7Å; Y1477-Y1591 HydrophobicContact CE1-CG 4.18Å; Y1477-Y1591 AromaticContact CE1-CZ 3.79Å | |
| 1478 | K | 81.8 | Confident | 81.4 | Confident | 124 Ų | 124 | 54 Ų | 54 | 54% | 0.539 | 27% | 0.271 | S | S | . | . | 0 | 126.3 | 0 | -76.6 | -75.8 | -177.3 | -177.3 | 0 | 109.8 | Q1475 P1476 G1526 | Q1475-K1478 HydrophobicContact CB-CB 4.46Å; Q1475-K1478 HydrophobicContact CB-CG 3.89Å; Q1475-K1478 VanDerWaalsContact O-CB 3.23Å; Q1475-K1478 WeakPolarHBondContact O-CB 3.44Å; Q1475-K1478 PolarHBondContact O-N 2.97Å; Q1475-K1478 VanDerWaalsContact O-N 3.08Å; P1476-K1478 VanDerWaalsContact C-N 3.3Å; P1476-K1478 PolarHBondContact O-N 2.89Å; K1478-G1526 WeakPolarHBondContact O-CA 3.05Å | |||
| 1479 | P | 83.3 | Confident | 80.7 | Confident | 74 Ų | 74 | 52.5 Ų | 52.5 | 48% | 0.481 | 28% | 0.278 | S | S | . | . | trans | -63.4 | 148.2 | -177.5 | 14.9 | -18.8 | 0 | 0 | 0 | 111.7 | A1523 I1524 | P1479-A1523 CarbonylContact C-O 3.42Å; P1479-A1523 WeakPolarHBondContact CA-O 3.38Å; P1479-A1523 WeakPolarHBondContact CB-O 2.92Å; P1479-I1524 WeakPolarHBondContact CB-O 3.07Å; P1479-I1524 WeakPolarHBondContact CG-O 3.43Å | ||
| 1480 | F | 87.9 | Confident | 80 | Confident | 16 Ų | 16 | 52.6 Ų | 52.6 | 7% | 0.07 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 161.6 | 172.8 | 62.4 | -90.5 | 0 | 0 | 0 | 109.1 | I1472 V1474 F1509 S1522 A1523 L1527 I1550 | I1472-F1480 HydrophobicContact CD1-CD2 3.57Å; I1472-F1480 HydrophobicContact CD1-CE2 4.16Å; I1472-F1480 HydrophobicContact CD1-CG 4.46Å; I1472-F1480 HydrophobicContact CG2-CB 3.6Å; I1472-F1480 HydrophobicContact CG2-CD2 3.89Å; I1472-F1480 HydrophobicContact CG2-CG 3.78Å; V1474-F1480 HydrophobicContact CB-CD1 4.31Å; V1474-F1480 HydrophobicContact CG1-CB 3.53Å; V1474-F1480 HydrophobicContact CG1-CD1 4.12Å; V1474-F1480 HydrophobicContact CG1-CG 4.09Å; V1474-F1480 HydrophobicContact CG2-CD1 3.65Å; V1474-F1480 HydrophobicContact CG2-CE1 4.08Å; V1474-F1480 HydrophobicContact CG2-CG 4.34Å; F1480-F1509 HydrophobicContact CE2-CE1 4.12Å; F1480-F1509 AromaticContact CZ-CE1 3.83Å; F1480-F1509 HydrophobicContact CZ-CE1 3.83Å; F1480-F1509 HydrophobicContact CZ-CZ 4.5Å; F1480-S1522 CarbonylContact O-C 3.4Å; F1480-S1522 WeakPolarHBondContact O-CA 3.26Å; F1480-A1523 HydrophobicContact CD1-CB 3.93Å; F1480-A1523 HydrophobicContact CD2-CB 4.46Å; F1480-A1523 HydrophobicContact CE1-CB 3.6Å; F1480-A1523 HydrophobicContact CE2-CB 4.17Å; F1480-A1523 HydrophobicContact CG-CB 4.35Å; F1480-A1523 HydrophobicContact CZ-CB 3.73Å; F1480-A1523 PolarHBondContact N-O 3.22Å; F1480-A1523 VanDerWaalsContact N-O 3.08Å; F1480-A1523 PolarHBondContact O-N 2.76Å; F1480-L1527 HydrophobicContact CE1-CB 4.42Å; F1480-L1527 HydrophobicContact CE1-CD1 3.51Å; F1480-L1527 HydrophobicContact CE1-CG 3.7Å; F1480-L1527 HydrophobicContact CZ-CD1 3.42Å; F1480-L1527 VanDerWaalsContact CZ-CD1 3.42Å; F1480-L1527 HydrophobicContact CZ-CG 4.06Å; F1480-I1550 HydrophobicContact CE1-CG2 3.9Å; F1480-I1550 HydrophobicContact CE2-CD1 3.36Å; F1480-I1550 HydrophobicContact CE2-CG1 3.88Å; F1480-I1550 HydrophobicContact CE2-CG2 3.95Å; F1480-I1550 HydrophobicContact CZ-CB 4.45Å; F1480-I1550 HydrophobicContact CZ-CD1 3.53Å; F1480-I1550 HydrophobicContact CZ-CG1 4.17Å; F1480-I1550 HydrophobicContact CZ-CG2 3.55Å |
| 1481 | E | 88.4 | Confident | 79.7 | Confident | 90 Ų | 90 | 50.9 Ų | 50.9 | 42% | 0.421 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 154.8 | 178.1 | 64.1 | -175.4 | -171.7 | 0 | 0 | 109.8 | R1520 V1521 | E1481-R1520 IonicContact OE2-CZ 3.74Å; E1481-R1520 IonicContact OE2-NE 3.9Å; E1481-R1520 PolarHBondContact OE2-NE 3.36Å; E1481-R1520 IonicContact OE2-NH2 3.24Å; E1481-R1520 PolarHBondContact OE2-NH2 2.9Å; E1481-V1521 CarbonylContact C-O 3.52Å; E1481-V1521 WeakPolarHBondContact CA-O 2.99Å |
| 1482 | F | 91.2 | Very high | 79.6 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 0% | 0.004 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 159.7 | 170.9 | 68 | -82.9 | 0 | 0 | 0 | 109.3 | I1467 R1468 I1472 V1521 I1536 T1548 | I1467-F1482 HydrophobicContact CG2-CD2 3.74Å; I1467-F1482 HydrophobicContact CG2-CE2 4.42Å; R1468-F1482 CarbonylContact O-C 3.42Å; R1468-F1482 WeakPolarHBondContact O-CA 3.16Å; I1472-F1482 HydrophobicContact CD1-CB 3.7Å; I1472-F1482 HydrophobicContact CD1-CD1 4.02Å; I1472-F1482 HydrophobicContact CD1-CG 4.25Å; F1482-V1521 HydrophobicContact CD1-CB 3.95Å; F1482-V1521 HydrophobicContact CD1-CG1 4.33Å; F1482-V1521 HydrophobicContact CE1-CB 3.43Å; F1482-V1521 VanDerWaalsContact CE1-CB 3.43Å; F1482-V1521 HydrophobicContact CE1-CG1 3.51Å; F1482-V1521 HydrophobicContact CE1-CG2 4.26Å; F1482-V1521 HydrophobicContact CE2-CB 4.1Å; F1482-V1521 HydrophobicContact CE2-CG2 4.12Å; F1482-V1521 HydrophobicContact CG-CB 4.49Å; F1482-V1521 HydrophobicContact CZ-CB 3.51Å; F1482-V1521 HydrophobicContact CZ-CG1 3.8Å; F1482-V1521 HydrophobicContact CZ-CG2 3.79Å; F1482-V1521 PolarHBondContact N-O 3.49Å; F1482-V1521 PolarHBondContact O-N 3.13Å; F1482-I1536 HydrophobicContact CE1-CD1 3.71Å; F1482-I1536 HydrophobicContact CE1-CG2 4.45Å; F1482-I1536 HydrophobicContact CE2-CG2 4.33Å; F1482-I1536 HydrophobicContact CZ-CB 3.99Å; F1482-I1536 HydrophobicContact CZ-CD1 3.9Å; F1482-I1536 HydrophobicContact CZ-CG2 3.57Å; F1482-T1548 HydrophobicContact CD1-CG2 4.26Å; F1482-T1548 HydrophobicContact CD2-CG2 3.98Å; F1482-T1548 HydrophobicContact CE1-CG2 3.99Å; F1482-T1548 HydrophobicContact CE2-CG2 3.69Å; F1482-T1548 HydrophobicContact CG-CG2 4.25Å; F1482-T1548 HydrophobicContact CZ-CG2 3.7Å |
| 1483 | E | 89.8 | Confident | 79.8 | Confident | 38 Ų | 38 | 51.2 Ų | 51.2 | 18% | 0.178 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 135.2 | -177 | -64.4 | 178.9 | 177.1 | 0 | 0 | 110.8 | I1467 R1468 I1485 L1514 R1518 L1519 R1520 | I1467-E1483 CarbonylContact C-O 3.4Å; I1467-E1483 WeakPolarHBondContact CA-O 3.19Å; R1468-E1483 PolarHBondContact N-O 2.94Å; R1468-E1483 PolarHBondContact O-N 3.49Å; E1483-I1485 HydrophobicContact CB-CD1 4.2Å; E1483-I1485 HydrophobicContact CB-CG1 4.01Å; E1483-L1514 HydrophobicContact CG-CD1 4.44Å; E1483-L1514 WeakPolarHBondContact OE1-CD1 3.07Å; E1483-R1518 IonicContact OE2-NH1 3.12Å; E1483-R1518 PolarHBondContact OE2-NH1 2.97Å; E1483-L1519 CarbonylContact C-O 3.22Å; E1483-L1519 WeakPolarHBondContact CA-O 3.17Å; E1483-R1520 HydrophobicContact CG-CB 4.2Å; E1483-R1520 HydrophobicContact CG-CG 4.12Å |
| 1484 | C | 89.8 | Confident | 80.1 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 113 | 167.2 | -58.9 | 0 | 0 | 0 | 0 | 110.6 | P1493 R1518 L1519 C1538 F1540 | C1484-P1493 HydrophobicContact CB-CB 3.89Å; C1484-P1493 HydrophobicContact CB-CG 4.32Å; C1484-P1493 WeakPolarHBondContact O-CG 3.3Å; C1484-R1518 CarbonylContact O-C 3.27Å; C1484-R1518 WeakPolarHBondContact O-CA 3.5Å; C1484-L1519 HydrophobicContact CB-CB 4.12Å; C1484-L1519 PolarHBondContact N-O 3.17Å; C1484-L1519 PolarHBondContact O-N 2.94Å; C1484-C1538 HydrophobicContact CB-CB 3.82Å; C1484-C1538 WeakPolarHBondContact CB-SG 3.32Å; C1484-C1538 WeakPolarHBondContact SG-CB 3.43Å; C1484-C1538 CovalentContact SG-SG 1.83Å; C1484-C1538 PolarHBondContact SG-SG 2.92Å; C1484-F1540 HydrophobicContact CB-CE1 4.23Å; C1484-F1540 HydrophobicContact CB-CZ 3.99Å |
| 1485 | I | 83.3 | Confident | 80.4 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 128.7 | -172 | -58 | 169.3 | 0 | 0 | 0 | 108.8 | V1465 E1466 R1468 E1483 R1518 | V1465-I1485 CarbonylContact C-O 3.59Å; V1465-I1485 VanDerWaalsContact CA-O 3.32Å; V1465-I1485 WeakPolarHBondContact CA-O 3.32Å; E1466-I1485 HydrophobicContact CB-CB 4.41Å; E1466-I1485 PolarHBondContact N-O 3.24Å; E1466-I1485 WeakPolarHBondContact O-CA 3.45Å; E1466-I1485 PolarHBondContact O-N 3.26Å; E1466-I1485 VanDerWaalsContact O-O 3.12Å; R1468-I1485 HydrophobicContact CB-CD1 4.48Å; E1483-I1485 HydrophobicContact CB-CD1 4.2Å; E1483-I1485 HydrophobicContact CB-CG1 4.01Å; I1485-R1518 HydrophobicContact CG1-CG 3.72Å; I1485-R1518 HydrophobicContact CG2-CG 4.48Å |
| 1486 | S | 74.1 | Confident | 80.7 | Confident | 6 Ų | 6 | 48 Ų | 48 | 4% | 0.042 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 115.4 | 169 | 168.1 | 0 | 0 | 0 | 0 | 109.8 | V1488 I1491 N1517 | S1486-V1488 PolarHBondContact O-N 3.26Å; S1486-V1488 PolarHBondContact OG-N 3.13Å; S1486-V1488 PolarHBondContact OG-O 3.13Å; S1486-I1491 WeakPolarHBondContact OG-CB 2.97Å; S1486-N1517 PolarHBondContact N-O 3.44Å; S1486-N1517 WeakPolarHBondContact O-CB 3.23Å |
| 1487 | H | 77.7 | Confident | 80.7 | Confident | 95 Ų | 95 | 48 Ų | 48 | 44% | 0.44 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -78.7 | 0 | 179.3 | -68.4 | -72.7 | 0 | 0 | 0 | 110.9 | Q1464 E1466 P1489 | Q1464-H1487 WeakPolarHBondContact O-CB 3.13Å; Q1464-H1487 PolarHBondContact O-N 3.07Å; E1466-H1487 IonicContact OE2-CE1 2.31Å; E1466-H1487 IonicContact OE2-NE2 3.83Å; E1466-H1487 PolarHBondContact OE2-NE2 1.95Å; E1466-H1487 VanDerWaalsContact OE2-NE2 3.08Å; H1487-P1489 VanDerWaalsContact O-CD 3.3Å; H1487-P1489 WeakPolarHBondContact O-CD 3.26Å |
| 1488 | V | 62.1 | Low | 80 | Confident | 46 Ų | 46 | 51.2 Ų | 51.2 | 28% | 0.279 | 28% | 0.281 | S | S | . | . | S | Bend | 0 | 110.1 | 0 | -177.6 | 0 | 0 | 0 | 0 | 108.3 | Q1464 S1486 I1491 L1543 | Q1464-V1488 HydrophobicContact CB-CG2 4.01Å; Q1464-V1488 HydrophobicContact CG-CG2 4.31Å; S1486-V1488 PolarHBondContact O-N 3.26Å; S1486-V1488 PolarHBondContact OG-N 3.13Å; S1486-V1488 PolarHBondContact OG-O 3.13Å; V1488-I1491 HydrophobicContact CB-CD1 4.43Å; V1488-I1491 HydrophobicContact CB-CG1 4.42Å; V1488-I1491 HydrophobicContact CG1-CD1 4.37Å; V1488-I1491 HydrophobicContact CG1-CG1 4.28Å; V1488-L1543 HydrophobicContact CB-CD1 4.01Å; V1488-L1543 HydrophobicContact CG2-CD1 3.89Å; V1488-L1543 HydrophobicContact CG2-CD2 4.4Å | |
| 1489 | P | 66.8 | Low | 79 | Confident | 102 Ų | 102 | 49.3 Ų | 49.3 | 66% | 0.662 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 0 | -178.4 | -5 | 9 | 0 | 0 | 0 | 112.3 | H1487 N1517 | H1487-P1489 VanDerWaalsContact O-CD 3.3Å; H1487-P1489 WeakPolarHBondContact O-CD 3.26Å; P1489-N1517 WeakPolarHBondContact CA-ND2 2.88Å |
| 1490 | G | 66.6 | Low | 77.9 | Confident | 70 Ų | 70 | 47.6 Ų | 47.6 | 72% | 0.722 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | -13.9 | 0 | 0 | 0 | 0 | 0 | 0 | 111.5 | N1517 | G1490-N1517 PolarHBondContact N-ND2 2.74Å; G1490-N1517 PolarHBondContact N-OD1 2.75Å; G1490-N1517 VanDerWaalsContact N-OD1 3.08Å | |
| 1491 | I | 70 | Confident | 76.9 | Confident | 30 Ų | 30 | 50.8 Ų | 50.8 | 15% | 0.154 | 30% | 0.296 | C | S | . | . | trans | -95.6 | 117.6 | -179.7 | -65.1 | -153.5 | 0 | 0 | 0 | 108.3 | S1486 V1488 P1493 N1517 F1540 P1541 L1543 | S1486-I1491 WeakPolarHBondContact OG-CB 2.97Å; V1488-I1491 HydrophobicContact CB-CD1 4.43Å; V1488-I1491 HydrophobicContact CB-CG1 4.42Å; V1488-I1491 HydrophobicContact CG1-CD1 4.37Å; V1488-I1491 HydrophobicContact CG1-CG1 4.28Å; I1491-P1493 VanDerWaalsContact O-CD 3.31Å; I1491-P1493 WeakPolarHBondContact O-CD 3.38Å; I1491-N1517 VanDerWaalsContact O-CA 3.22Å; I1491-N1517 WeakPolarHBondContact O-CA 3.22Å; I1491-F1540 HydrophobicContact CG2-CB 4.11Å; I1491-P1541 VanDerWaalsContact CD1-O 3.3Å; I1491-P1541 WeakPolarHBondContact CD1-O 3.18Å; I1491-L1543 HydrophobicContact CB-CD1 4.37Å; I1491-L1543 HydrophobicContact CD1-CD1 3.13Å; I1491-L1543 HydrophobicContact CD1-CD2 4.18Å; I1491-L1543 HydrophobicContact CD1-CG 3.31Å; I1491-L1543 HydrophobicContact CG1-CD1 4.19Å; I1491-L1543 HydrophobicContact CG2-CD1 4.16Å | ||
| 1492 | K | 78.8 | Confident | 76.2 | Confident | 115 Ų | 115 | 49 Ų | 49 | 50% | 0.5 | 29% | 0.289 | S | S | . | . | trans | -92.4 | 114.8 | -179.9 | -171.2 | 177.6 | 176.5 | 179.8 | 0 | 110.3 | Y1513 P1516 P1541 | K1492-Y1513 HydrophobicContact CD-CE1 3.95Å; K1492-Y1513 WeakPolarHBondContact CE-OH 3.28Å; K1492-Y1513 HydrophobicContact CG-CD1 4.1Å; K1492-Y1513 HydrophobicContact CG-CE1 3.24Å; K1492-P1516 WeakPolarHBondContact CA-O 3.42Å; K1492-P1541 WeakPolarHBondContact O-CD 3.25Å | ||
| 1493 | P | 84.6 | Confident | 75.6 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -76 | 0 | -178.3 | 17.8 | -18.1 | 0 | 0 | 0 | 112.1 | C1484 I1491 Y1513 L1519 I1539 F1540 | C1484-P1493 HydrophobicContact CB-CB 3.89Å; C1484-P1493 HydrophobicContact CB-CG 4.32Å; C1484-P1493 WeakPolarHBondContact O-CG 3.3Å; I1491-P1493 VanDerWaalsContact O-CD 3.31Å; I1491-P1493 WeakPolarHBondContact O-CD 3.38Å; P1493-Y1513 WeakPolarHBondContact O-CE1 3.45Å; P1493-Y1513 VanDerWaalsContact O-CZ 3.29Å; P1493-Y1513 PolarHBondContact O-OH 1.58Å; P1493-L1519 HydrophobicContact CB-CB 4.32Å; P1493-L1519 HydrophobicContact CG-CB 3.82Å; P1493-I1539 CarbonylContact C-O 3.35Å; P1493-I1539 WeakPolarHBondContact CA-O 3.22Å; P1493-F1540 HydrophobicContact CB-CD1 3.41Å; P1493-F1540 VanDerWaalsContact CB-CD1 3.41Å; P1493-F1540 HydrophobicContact CB-CE1 3.22Å; P1493-F1540 HydrophobicContact CB-CG 4.44Å; P1493-F1540 HydrophobicContact CB-CZ 4.15Å; P1493-F1540 HydrophobicContact CG-CD1 4.23Å; P1493-F1540 HydrophobicContact CG-CE1 3.92Å | ||
| 1494 | E | 87.5 | Confident | 75 | Confident | 72 Ų | 72 | 50.7 Ų | 50.7 | 34% | 0.336 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -66.3 | 176.1 | 179.3 | 0 | 0 | 110.7 | L1502 C1538 I1539 | E1494-L1502 HydrophobicContact CB-CD2 4.37Å; E1494-C1538 CarbonylContact O-C 3.49Å; E1494-C1538 WeakPolarHBondContact O-CA 3.5Å; E1494-I1539 HydrophobicContact CB-CB 4.47Å; E1494-I1539 PolarHBondContact N-O 3.19Å; E1494-I1539 WeakPolarHBondContact O-CA 3.32Å; E1494-I1539 PolarHBondContact O-N 3.47Å | |
| 1495 | A | 86.8 | Confident | 73.9 | Confident | 5 Ų | 5 | 57.2 Ų | 57.2 | 4% | 0.041 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.4 | V1503 L1519 V1521 I1536 H1537 | A1495-V1503 VanDerWaalsContact C-CG2 3.43Å; A1495-V1503 HydrophobicContact CB-CB 3.97Å; A1495-V1503 HydrophobicContact CB-CG2 3.71Å; A1495-V1503 WeakPolarHBondContact O-CB 3.23Å; A1495-V1503 VanDerWaalsContact O-CG2 3.22Å; A1495-V1503 WeakPolarHBondContact O-CG2 3.24Å; A1495-V1503 PolarHBondContact O-N 2.62Å; A1495-L1519 HydrophobicContact CB-CD2 3.91Å; A1495-V1521 HydrophobicContact CB-CG2 3.86Å; A1495-I1536 HydrophobicContact CB-CG2 4.06Å; A1495-H1537 CarbonylContact C-O 3.1Å; A1495-H1537 WeakPolarHBondContact CA-O 3.12Å | |
| 1496 | R | 85.7 | Confident | 73.2 | Confident | 89 Ų | 89 | 58 Ų | 58 | 34% | 0.336 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 148.8 | 0 | -70.7 | -173.8 | 179.4 | -130.4 | 0.8 | 109.6 | G1500 I1501 L1502 H1537 I1539 | R1496-G1500 PolarHBondContact NH1-O 3.48Å; R1496-I1501 WeakPolarHBondContact CA-O 3.37Å; R1496-L1502 HydrophobicContact CG-CD2 4.03Å; R1496-H1537 PolarHBondContact N-O 3.15Å; R1496-H1537 PolarHBondContact O-N 3.25Å; R1496-I1539 HydrophobicContact CB-CD1 4.06Å; R1496-I1539 HydrophobicContact CG-CD1 3.68Å | |
| 1497 | L | 76.7 | Confident | 72.9 | Confident | 8 Ų | 8 | 63 Ų | 63 | 4% | 0.042 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 0 | 174.3 | -66.7 | 166.2 | 0 | 0 | 0 | 110.4 | S1499 G1500 I1501 V1503 D1506 F1509 F1534 I1536 | L1497-S1499 PolarHBondContact O-N 2.82Å; L1497-G1500 PolarHBondContact O-N 2.98Å; L1497-I1501 PolarHBondContact N-O 3.23Å; L1497-V1503 HydrophobicContact CD2-CG2 4.37Å; L1497-V1503 HydrophobicContact CG-CG2 4.21Å; L1497-D1506 HydrophobicContact CD1-CB 4.25Å; L1497-F1509 HydrophobicContact CD2-CE2 4.4Å; L1497-F1534 HydrophobicContact CB-CE2 4.48Å; L1497-F1534 HydrophobicContact CB-CZ 4.15Å; L1497-F1534 HydrophobicContact CD1-CE2 4.47Å; L1497-F1534 HydrophobicContact CD1-CZ 4.11Å; L1497-F1534 HydrophobicContact CD2-CD1 4.32Å; L1497-F1534 HydrophobicContact CD2-CD2 4.33Å; L1497-F1534 HydrophobicContact CD2-CE1 3Å; L1497-F1534 HydrophobicContact CD2-CE2 3.02Å; L1497-F1534 HydrophobicContact CD2-CZ 2.07Å; L1497-F1534 HydrophobicContact CG-CE2 4.17Å; L1497-F1534 HydrophobicContact CG-CZ 3.52Å; L1497-I1536 HydrophobicContact CD2-CD1 4.44Å; L1497-I1536 HydrophobicContact CD2-CG1 3.92Å |
| 1498 | S | 66.9 | Low | 72.6 | Confident | 90 Ų | 90 | 61.1 Ų | 61.1 | 63% | 0.629 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 37 | 0 | 0 | 0 | 0 | 111.3 | G1500 | S1498-G1500 VanDerWaalsContact C-N 3.31Š| |
| 1499 | S | 60.4 | Low | 73.5 | Confident | 84 Ų | 84 | 59.5 Ų | 59.5 | 59% | 0.587 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 60.1 | 0 | 0 | 0 | 0 | 110.9 | L1497 | L1497-S1499 PolarHBondContact O-N 2.82Š| |
| 1500 | G | 60.4 | Low | 74.1 | Confident | 39 Ų | 39 | 58.3 Ų | 58.3 | 40% | 0.402 | 34% | 0.339 | S | S | . | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.5 | R1496 L1497 S1498 | R1496-G1500 PolarHBondContact NH1-O 3.48Å; L1497-G1500 PolarHBondContact O-N 2.98Å; S1498-G1500 VanDerWaalsContact C-N 3.31Å | |
| 1501 | I | 67.9 | Low | 74.8 | Confident | 82 Ų | 82 | 56.8 Ų | 56.8 | 42% | 0.421 | 32% | 0.315 | S | S | . | . | 0 | 139.7 | 0 | -64.9 | 170.7 | 0 | 0 | 0 | 109.2 | R1496 L1497 V1503 Q1505 | R1496-I1501 WeakPolarHBondContact CA-O 3.37Å; L1497-I1501 PolarHBondContact N-O 3.23Å; I1501-V1503 PolarHBondContact O-N 2.99Å; I1501-Q1505 HydrophobicContact CG2-CB 4.1Å | |||
| 1502 | L | 73.7 | Confident | 75.5 | Confident | 52 Ų | 52 | 59.7 Ų | 59.7 | 27% | 0.272 | 33% | 0.328 | S | S | . | . | B | Isolated β-bridge | trans | -67.8 | 132.1 | 179 | -78.6 | 162 | 0 | 0 | 0 | 110.5 | E1494 R1496 S1504 Q1505 | E1494-L1502 HydrophobicContact CB-CD2 4.37Å; R1496-L1502 HydrophobicContact CG-CD2 4.03Å; L1502-S1504 PolarHBondContact O-N 3.26Å; L1502-Q1505 HydrophobicContact CB-CG 4.25Å; L1502-Q1505 WeakPolarHBondContact O-CB 3.06Å; L1502-Q1505 PolarHBondContact O-N 2.77Å |
| 1503 | V | 78.5 | Confident | 75.7 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -58.6 | -23.6 | -176.3 | 173.5 | 0 | 0 | 0 | 0 | 109.1 | A1495 L1497 I1501 Q1505 D1506 F1509 V1511 V1521 I1536 | A1495-V1503 VanDerWaalsContact C-CG2 3.43Å; A1495-V1503 HydrophobicContact CB-CB 3.97Å; A1495-V1503 HydrophobicContact CB-CG2 3.71Å; A1495-V1503 WeakPolarHBondContact O-CB 3.23Å; A1495-V1503 VanDerWaalsContact O-CG2 3.22Å; A1495-V1503 WeakPolarHBondContact O-CG2 3.24Å; A1495-V1503 PolarHBondContact O-N 2.62Å; L1497-V1503 HydrophobicContact CD2-CG2 4.37Å; L1497-V1503 HydrophobicContact CG-CG2 4.21Å; I1501-V1503 PolarHBondContact O-N 2.99Å; V1503-Q1505 PolarHBondContact O-N 2.63Å; V1503-D1506 PolarHBondContact O-N 3.49Å; V1503-F1509 HydrophobicContact CG1-CB 3.36Å; V1503-F1509 HydrophobicContact CG1-CD1 4.33Å; V1503-F1509 HydrophobicContact CG1-CD2 3.87Å; V1503-F1509 HydrophobicContact CG1-CG 3.61Å; V1503-V1511 HydrophobicContact CB-CG2 4.22Å; V1503-V1511 HydrophobicContact CG1-CG2 3.88Å; V1503-V1521 HydrophobicContact CG1-CG1 3.57Å; V1503-I1536 HydrophobicContact CG2-CD1 4.36Å; V1503-I1536 HydrophobicContact CG2-CG2 3.63Å |
| 1504 | S | 76.5 | Confident | 75.3 | Confident | 75 Ų | 75 | 62 Ų | 62 | 52% | 0.524 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -68.7 | -19.9 | 179.6 | 58.9 | 0 | 0 | 0 | 0 | 111.1 | L1502 | L1502-S1504 PolarHBondContact O-N 3.26Š|
| 1505 | Q | 67.9 | Low | 74.6 | Confident | 138 Ų | 138 | 60.8 Ų | 60.8 | 65% | 0.645 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -92.3 | -7.8 | -178.9 | -68.2 | -179.9 | -22.9 | 0 | 0 | 111.1 | I1501 L1502 V1503 | I1501-Q1505 HydrophobicContact CG2-CB 4.1Å; L1502-Q1505 HydrophobicContact CB-CG 4.25Å; L1502-Q1505 WeakPolarHBondContact O-CB 3.06Å; L1502-Q1505 PolarHBondContact O-N 2.77Å; V1503-Q1505 PolarHBondContact O-N 2.63Å |
| 1506 | D | 66.9 | Low | 74 | Confident | 20 Ų | 20 | 65.1 Ų | 65.1 | 11% | 0.107 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -92.6 | 0 | 177.5 | -169.3 | -48.2 | 0 | 0 | 0 | 109.3 | L1497 V1503 R1508 F1509 | L1497-D1506 HydrophobicContact CD1-CB 4.25Å; V1503-D1506 PolarHBondContact O-N 3.49Å; D1506-R1508 PolarHBondContact O-N 3.22Å; D1506-R1508 VanDerWaalsContact OD1-CB 3.25Å; D1506-R1508 WeakPolarHBondContact OD1-CB 3.22Å; D1506-R1508 WeakPolarHBondContact OD1-CG 3.15Å; D1506-R1508 IonicContact OD1-CZ 2.6Å; D1506-R1508 PolarHBondContact OD1-N 3.06Å; D1506-R1508 IonicContact OD1-NE 3.16Å; D1506-R1508 PolarHBondContact OD1-NE 3.32Å; D1506-R1508 IonicContact OD1-NH2 3.88Å; D1506-R1508 IonicContact OD2-CZ 3.76Å; D1506-R1508 IonicContact OD2-NE 3.15Å; D1506-R1508 PolarHBondContact OD2-NE 3.42Å; D1506-R1508 IonicContact OD2-NH2 3.4Å; D1506-R1508 PolarHBondContact OD2-NH2 3.09Å; D1506-F1509 HydrophobicContact CB-CD2 4.05Å; D1506-F1509 PolarHBondContact O-N 3.08Å |
| 1507 | P | 67.8 | Low | 73.6 | Confident | 111 Ų | 111 | 62.4 Ų | 62.4 | 72% | 0.721 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | -17.6 | 0 | 8.4 | -10.4 | 0 | 0 | 0 | 111.8 | F1509 A1593 | P1507-F1509 PolarHBondContact O-N 3.39Å; P1507-A1593 HydrophobicContact CG-CB 4.27Å | |
| 1508 | R | 71.6 | Confident | 74.1 | Confident | 55 Ų | 55 | 66 Ų | 66 | 21% | 0.208 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -17.7 | -178.8 | -65.3 | 174.6 | -62.9 | 175.6 | 2.3 | 111.2 | D1506 L1527 D1531 A1593 | D1506-R1508 PolarHBondContact O-N 3.22Å; D1506-R1508 VanDerWaalsContact OD1-CB 3.25Å; D1506-R1508 WeakPolarHBondContact OD1-CB 3.22Å; D1506-R1508 WeakPolarHBondContact OD1-CG 3.15Å; D1506-R1508 IonicContact OD1-CZ 2.6Å; D1506-R1508 PolarHBondContact OD1-N 3.06Å; D1506-R1508 IonicContact OD1-NE 3.16Å; D1506-R1508 PolarHBondContact OD1-NE 3.32Å; D1506-R1508 IonicContact OD1-NH2 3.88Å; D1506-R1508 IonicContact OD2-CZ 3.76Å; D1506-R1508 IonicContact OD2-NE 3.15Å; D1506-R1508 PolarHBondContact OD2-NE 3.42Å; D1506-R1508 IonicContact OD2-NH2 3.4Å; D1506-R1508 PolarHBondContact OD2-NH2 3.09Å; R1508-L1527 HydrophobicContact CB-CD2 3.9Å; R1508-L1527 HydrophobicContact CG-CD2 4.32Å; R1508-D1531 VanDerWaalsContact NH1-CG 3.26Å; R1508-D1531 IonicContact NH1-OD1 2.81Å; R1508-D1531 PolarHBondContact NH1-OD1 2.66Å; R1508-D1531 IonicContact NH1-OD2 2.23Å; R1508-D1531 PolarHBondContact NH1-OD2 2.43Å; R1508-A1593 HydrophobicContact CG-CB 4.11Å |
| 1509 | F | 81.8 | Confident | 75.2 | Confident | 12 Ų | 12 | 61.8 Ų | 61.8 | 5% | 0.053 | 34% | 0.343 | C | S | . | . | trans | -120 | 139.7 | -174.5 | -66 | -78.3 | 0 | 0 | 0 | 109 | F1480 L1497 V1503 D1506 P1507 V1521 S1522 A1523 L1527 F1534 I1536 I1550 | F1480-F1509 HydrophobicContact CE2-CE1 4.12Å; F1480-F1509 AromaticContact CZ-CE1 3.83Å; F1480-F1509 HydrophobicContact CZ-CE1 3.83Å; F1480-F1509 HydrophobicContact CZ-CZ 4.5Å; L1497-F1509 HydrophobicContact CD2-CE2 4.4Å; V1503-F1509 HydrophobicContact CG1-CB 3.36Å; V1503-F1509 HydrophobicContact CG1-CD1 4.33Å; V1503-F1509 HydrophobicContact CG1-CD2 3.87Å; V1503-F1509 HydrophobicContact CG1-CG 3.61Å; D1506-F1509 HydrophobicContact CB-CD2 4.05Å; D1506-F1509 PolarHBondContact O-N 3.08Å; P1507-F1509 PolarHBondContact O-N 3.39Å; F1509-V1521 HydrophobicContact CB-CG1 4.2Å; F1509-V1521 HydrophobicContact CD1-CG1 4.01Å; F1509-V1521 HydrophobicContact CG-CG1 4.37Å; F1509-S1522 CarbonylContact C-O 3.36Å; F1509-S1522 WeakPolarHBondContact CA-O 3.13Å; F1509-A1523 HydrophobicContact CD1-CB 4.06Å; F1509-A1523 HydrophobicContact CE1-CB 4.06Å; F1509-L1527 HydrophobicContact CE1-CD1 4.27Å; F1509-L1527 HydrophobicContact CZ-CD1 3.88Å; F1509-L1527 HydrophobicContact CZ-CD2 4.4Å; F1509-F1534 HydrophobicContact CE2-CE1 4.11Å; F1509-F1534 HydrophobicContact CE2-CZ 4.2Å; F1509-F1534 HydrophobicContact CZ-CD1 4.44Å; F1509-F1534 AromaticContact CZ-CE1 3.83Å; F1509-F1534 HydrophobicContact CZ-CE1 3.83Å; F1509-F1534 HydrophobicContact CZ-CZ 4.36Å; F1509-I1536 HydrophobicContact CD1-CD1 4.44Å; F1509-I1536 HydrophobicContact CE1-CD1 3.87Å; F1509-I1536 HydrophobicContact CE2-CD1 4.4Å; F1509-I1536 HydrophobicContact CZ-CD1 3.86Å; F1509-I1550 HydrophobicContact CE1-CD1 4.45Å | ||
| 1510 | N | 78.4 | Confident | 76.7 | Confident | 77 Ų | 77 | 61.2 Ų | 61.2 | 41% | 0.412 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 0 | 168.7 | -164.8 | 29.3 | 0 | 0 | 0 | 111.4 | V1521 S1522 I1524 | N1510-V1521 CarbonylContact O-C 3.45Å; N1510-V1521 WeakPolarHBondContact O-CA 3.34Å; N1510-S1522 WeakPolarHBondContact CB-OG 3.4Å; N1510-S1522 PolarHBondContact N-O 2.8Å; N1510-S1522 PolarHBondContact O-N 3Å; N1510-S1522 PolarHBondContact O-OG 3.39Å; N1510-I1524 HydrophobicContact CB-CD1 3.9Å; N1510-I1524 HydrophobicContact CB-CG1 4.15Å |
| 1511 | V | 82.6 | Confident | 78 | Confident | 38 Ų | 38 | 59.3 Ų | 59.3 | 23% | 0.23 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 121.9 | 0 | 178.5 | 0 | 0 | 0 | 0 | 108.4 | V1503 L1519 R1520 V1521 | V1503-V1511 HydrophobicContact CB-CG2 4.22Å; V1503-V1511 HydrophobicContact CG1-CG2 3.88Å; V1511-L1519 HydrophobicContact CG1-CD1 3.04Å; V1511-L1519 HydrophobicContact CG1-CD2 4.15Å; V1511-L1519 HydrophobicContact CG1-CG 3.83Å; V1511-R1520 CarbonylContact C-O 3.18Å; V1511-R1520 WeakPolarHBondContact CA-O 3.31Å; V1511-V1521 HydrophobicContact CG2-CG1 4.46Å; V1511-V1521 HydrophobicContact CG2-CG2 4.34Å | |
| 1512 | E | 84.3 | Confident | 78.9 | Confident | 91 Ų | 91 | 55.6 Ų | 55.6 | 43% | 0.425 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 0 | 178.4 | -173.4 | -177.4 | -179.2 | 0 | 0 | 110.5 | R1520 | E1512-R1520 PolarHBondContact N-O 3.15Å; E1512-R1520 WeakPolarHBondContact O-CA 3.47Å; E1512-R1520 WeakPolarHBondContact O-CB 3.1Å; E1512-R1520 PolarHBondContact O-N 3.3Å; E1512-R1520 VanDerWaalsContact O-O 3.12Å |
| 1513 | Y | 83.6 | Confident | 79.4 | Confident | 83 Ų | 83 | 53.1 Ų | 53.1 | 33% | 0.325 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 108.9 | 0 | -84.6 | -86 | 0 | 0 | 0 | 109.9 | K1492 P1493 S1515 L1519 | K1492-Y1513 HydrophobicContact CD-CE1 3.95Å; K1492-Y1513 WeakPolarHBondContact CE-OH 3.28Å; K1492-Y1513 HydrophobicContact CG-CD1 4.1Å; K1492-Y1513 HydrophobicContact CG-CE1 3.24Å; P1493-Y1513 WeakPolarHBondContact O-CE1 3.45Å; P1493-Y1513 VanDerWaalsContact O-CZ 3.29Å; P1493-Y1513 PolarHBondContact O-OH 1.58Å; Y1513-S1515 VanDerWaalsContact C-N 3.28Å; Y1513-L1519 HydrophobicContact CD1-CB 4.06Å; Y1513-L1519 HydrophobicContact CD1-CD1 3.73Å; Y1513-L1519 HydrophobicContact CD2-CD1 3.55Å; Y1513-L1519 HydrophobicContact CE1-CB 3.82Å; Y1513-L1519 HydrophobicContact CE1-CD1 3.54Å; Y1513-L1519 HydrophobicContact CE1-CG 4.2Å; Y1513-L1519 HydrophobicContact CE2-CD1 3.35Å; Y1513-L1519 HydrophobicContact CG-CD1 3.73Å | |
| 1514 | L | 76.3 | Confident | 79.4 | Confident | 80 Ų | 80 | 57.6 Ų | 57.6 | 42% | 0.419 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | -23.2 | 177.8 | -63.4 | 169.1 | 0 | 0 | 0 | 110.8 | E1483 R1518 R1520 | E1483-L1514 HydrophobicContact CG-CD1 4.44Å; E1483-L1514 WeakPolarHBondContact OE1-CD1 3.07Å; L1514-R1518 HydrophobicContact CB-CG 4.47Å; L1514-R1518 PolarHBondContact N-O 3.36Å; L1514-R1520 HydrophobicContact CD1-CB 3.9Å; L1514-R1520 HydrophobicContact CG-CB 4Å |
| 1515 | S | 72.8 | Confident | 79.4 | Confident | 47 Ų | 47 | 59.8 Ų | 59.8 | 33% | 0.329 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 158.1 | 173.2 | 59.4 | 0 | 0 | 0 | 0 | 109.4 | Y1513 N1517 R1518 | Y1513-S1515 VanDerWaalsContact C-N 3.28Å; S1515-N1517 PolarHBondContact O-N 3.44Å; S1515-R1518 PolarHBondContact N-O 3.12Å; S1515-R1518 PolarHBondContact O-N 2.73Å; S1515-R1518 WeakPolarHBondContact OG-CB 3.26Å; S1515-R1518 PolarHBondContact OG-N 2.66Å |
| 1516 | P | 74 | Confident | 80 | Confident | 96 Ų | 96 | 53.5 Ų | 53.5 | 62% | 0.623 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -21.7 | -176.7 | -15.6 | 19.1 | 0 | 0 | 0 | 111.8 | K1492 | K1492-P1516 WeakPolarHBondContact CA-O 3.42Š|
| 1517 | N | 77.1 | Confident | 80.8 | Confident | 33 Ų | 33 | 52.7 Ų | 52.7 | 18% | 0.176 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | 11.7 | -177.9 | -38.9 | -19.2 | 0 | 0 | 0 | 110.7 | S1486 P1489 G1490 I1491 S1515 | S1486-N1517 PolarHBondContact N-O 3.44Å; S1486-N1517 WeakPolarHBondContact O-CB 3.23Å; P1489-N1517 WeakPolarHBondContact CA-ND2 2.88Å; G1490-N1517 PolarHBondContact N-ND2 2.74Å; G1490-N1517 PolarHBondContact N-OD1 2.75Å; G1490-N1517 VanDerWaalsContact N-OD1 3.08Å; I1491-N1517 VanDerWaalsContact O-CA 3.22Å; I1491-N1517 WeakPolarHBondContact O-CA 3.22Å; S1515-N1517 PolarHBondContact O-N 3.44Å |
| 1518 | R | 86 | Confident | 81.4 | Confident | 83 Ų | 83 | 47.6 Ų | 47.6 | 31% | 0.313 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 115.9 | -174.7 | -168.2 | 179.1 | -85.9 | -127.5 | -1 | 109 | E1483 C1484 I1485 L1514 S1515 | E1483-R1518 IonicContact OE2-NH1 3.12Å; E1483-R1518 PolarHBondContact OE2-NH1 2.97Å; C1484-R1518 CarbonylContact O-C 3.27Å; C1484-R1518 WeakPolarHBondContact O-CA 3.5Å; I1485-R1518 HydrophobicContact CG1-CG 3.72Å; I1485-R1518 HydrophobicContact CG2-CG 4.48Å; L1514-R1518 HydrophobicContact CB-CG 4.47Å; L1514-R1518 PolarHBondContact N-O 3.36Å; S1515-R1518 PolarHBondContact N-O 3.12Å; S1515-R1518 PolarHBondContact O-N 2.73Å; S1515-R1518 WeakPolarHBondContact OG-CB 3.26Å; S1515-R1518 PolarHBondContact OG-N 2.66Å |
| 1519 | L | 90 | Very high | 81.4 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 121 | -175.3 | 176.5 | 72 | 0 | 0 | 0 | 109.7 | E1483 C1484 P1493 A1495 V1511 Y1513 V1521 | E1483-L1519 CarbonylContact C-O 3.22Å; E1483-L1519 WeakPolarHBondContact CA-O 3.17Å; C1484-L1519 HydrophobicContact CB-CB 4.12Å; C1484-L1519 PolarHBondContact N-O 3.17Å; C1484-L1519 PolarHBondContact O-N 2.94Å; P1493-L1519 HydrophobicContact CB-CB 4.32Å; P1493-L1519 HydrophobicContact CG-CB 3.82Å; A1495-L1519 HydrophobicContact CB-CD2 3.91Å; V1511-L1519 HydrophobicContact CG1-CD1 3.04Å; V1511-L1519 HydrophobicContact CG1-CD2 4.15Å; V1511-L1519 HydrophobicContact CG1-CG 3.83Å; Y1513-L1519 HydrophobicContact CD1-CB 4.06Å; Y1513-L1519 HydrophobicContact CD1-CD1 3.73Å; Y1513-L1519 HydrophobicContact CD2-CD1 3.55Å; Y1513-L1519 HydrophobicContact CE1-CB 3.82Å; Y1513-L1519 HydrophobicContact CE1-CD1 3.54Å; Y1513-L1519 HydrophobicContact CE1-CG 4.2Å; Y1513-L1519 HydrophobicContact CE2-CD1 3.35Å; Y1513-L1519 HydrophobicContact CG-CD1 3.73Å; L1519-V1521 HydrophobicContact CD2-CG2 4.35Å; L1519-V1521 HydrophobicContact CG-CG2 4.31Å |
| 1520 | R | 92.8 | Very high | 80.8 | Confident | 72 Ų | 72 | 49.6 Ų | 49.6 | 27% | 0.272 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 127.5 | 177.4 | -176.9 | 176.9 | 138.6 | -179.5 | 1.7 | 110.4 | E1481 E1483 V1511 E1512 L1514 | E1481-R1520 IonicContact OE2-CZ 3.74Å; E1481-R1520 IonicContact OE2-NE 3.9Å; E1481-R1520 PolarHBondContact OE2-NE 3.36Å; E1481-R1520 IonicContact OE2-NH2 3.24Å; E1481-R1520 PolarHBondContact OE2-NH2 2.9Å; E1483-R1520 HydrophobicContact CG-CB 4.2Å; E1483-R1520 HydrophobicContact CG-CG 4.12Å; V1511-R1520 CarbonylContact C-O 3.18Å; V1511-R1520 WeakPolarHBondContact CA-O 3.31Å; E1512-R1520 PolarHBondContact N-O 3.15Å; E1512-R1520 WeakPolarHBondContact O-CA 3.47Å; E1512-R1520 WeakPolarHBondContact O-CB 3.1Å; E1512-R1520 PolarHBondContact O-N 3.3Å; E1512-R1520 VanDerWaalsContact O-O 3.12Å; L1514-R1520 HydrophobicContact CD1-CB 3.9Å; L1514-R1520 HydrophobicContact CG-CB 4Å |
| 1521 | V | 87.7 | Confident | 80.1 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 122.8 | 178.2 | -178.5 | 0 | 0 | 0 | 0 | 108.3 | E1481 F1482 A1495 V1503 F1509 N1510 V1511 L1519 | E1481-V1521 CarbonylContact C-O 3.52Å; E1481-V1521 WeakPolarHBondContact CA-O 2.99Å; F1482-V1521 HydrophobicContact CD1-CB 3.95Å; F1482-V1521 HydrophobicContact CD1-CG1 4.33Å; F1482-V1521 HydrophobicContact CE1-CB 3.43Å; F1482-V1521 VanDerWaalsContact CE1-CB 3.43Å; F1482-V1521 HydrophobicContact CE1-CG1 3.51Å; F1482-V1521 HydrophobicContact CE1-CG2 4.26Å; F1482-V1521 HydrophobicContact CE2-CB 4.1Å; F1482-V1521 HydrophobicContact CE2-CG2 4.12Å; F1482-V1521 HydrophobicContact CG-CB 4.49Å; F1482-V1521 HydrophobicContact CZ-CB 3.51Å; F1482-V1521 HydrophobicContact CZ-CG1 3.8Å; F1482-V1521 HydrophobicContact CZ-CG2 3.79Å; F1482-V1521 PolarHBondContact N-O 3.49Å; F1482-V1521 PolarHBondContact O-N 3.13Å; A1495-V1521 HydrophobicContact CB-CG2 3.86Å; V1503-V1521 HydrophobicContact CG1-CG1 3.57Å; F1509-V1521 HydrophobicContact CB-CG1 4.2Å; F1509-V1521 HydrophobicContact CD1-CG1 4.01Å; F1509-V1521 HydrophobicContact CG-CG1 4.37Å; N1510-V1521 CarbonylContact O-C 3.45Å; N1510-V1521 WeakPolarHBondContact O-CA 3.34Å; V1511-V1521 HydrophobicContact CG2-CG1 4.46Å; V1511-V1521 HydrophobicContact CG2-CG2 4.34Å; L1519-V1521 HydrophobicContact CD2-CG2 4.35Å; L1519-V1521 HydrophobicContact CG-CG2 4.31Å |
| 1522 | S | 87 | Confident | 79.2 | Confident | 4 Ų | 4 | 47 Ų | 47 | 3% | 0.028 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 139.4 | -176.7 | 49.4 | 0 | 0 | 0 | 0 | 109.6 | F1480 F1509 N1510 | F1480-S1522 CarbonylContact O-C 3.4Å; F1480-S1522 WeakPolarHBondContact O-CA 3.26Å; F1509-S1522 CarbonylContact C-O 3.36Å; F1509-S1522 WeakPolarHBondContact CA-O 3.13Å; N1510-S1522 WeakPolarHBondContact CB-OG 3.4Å; N1510-S1522 PolarHBondContact N-O 2.8Å; N1510-S1522 PolarHBondContact O-N 3Å; N1510-S1522 PolarHBondContact O-OG 3.39Å |
| 1523 | A | 83.1 | Confident | 77.8 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 85 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | P1479 F1480 F1509 Y1525 G1526 L1527 | P1479-A1523 CarbonylContact C-O 3.42Å; P1479-A1523 WeakPolarHBondContact CA-O 3.38Å; P1479-A1523 WeakPolarHBondContact CB-O 2.92Å; F1480-A1523 HydrophobicContact CD1-CB 3.93Å; F1480-A1523 HydrophobicContact CD2-CB 4.46Å; F1480-A1523 HydrophobicContact CE1-CB 3.6Å; F1480-A1523 HydrophobicContact CE2-CB 4.17Å; F1480-A1523 HydrophobicContact CG-CB 4.35Å; F1480-A1523 HydrophobicContact CZ-CB 3.73Å; F1480-A1523 PolarHBondContact N-O 3.22Å; F1480-A1523 VanDerWaalsContact N-O 3.08Å; F1480-A1523 PolarHBondContact O-N 2.76Å; F1509-A1523 HydrophobicContact CD1-CB 4.06Å; F1509-A1523 HydrophobicContact CE1-CB 4.06Å; A1523-Y1525 PolarHBondContact O-N 3.1Å; A1523-Y1525 VanDerWaalsContact O-N 3.08Å; A1523-G1526 PolarHBondContact O-N 2.67Å; A1523-L1527 HydrophobicContact CB-CG 4.47Å |
| 1524 | I | 78.7 | Confident | 77.1 | Confident | 93 Ų | 93 | 45.1 Ų | 45.1 | 48% | 0.477 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -27.1 | -164.8 | -9.8 | 171.2 | 0 | 0 | 0 | 109.1 | P1479 N1510 G1526 | P1479-I1524 WeakPolarHBondContact CB-O 3.07Å; P1479-I1524 WeakPolarHBondContact CG-O 3.43Å; N1510-I1524 HydrophobicContact CB-CD1 3.9Å; N1510-I1524 HydrophobicContact CB-CG1 4.15Å; I1524-G1526 VanDerWaalsContact C-N 3.32Å |
| 1525 | Y | 76.6 | Confident | 77.4 | Confident | 121 Ų | 121 | 45.6 Ų | 45.6 | 48% | 0.475 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 8.7 | -178.5 | -61.1 | -70.7 | 0 | 0 | 0 | 110.2 | Y1477 A1523 R1590 Y1591 | Y1477-Y1525 CarbonylContact C-O 3.4Å; A1523-Y1525 PolarHBondContact O-N 3.1Å; A1523-Y1525 VanDerWaalsContact O-N 3.08Å; Y1525-R1590 HydrophobicContact CD2-CG 4.27Å; Y1525-R1590 CovalentContact CE2-NH1 1.84Å; Y1525-R1590 VanDerWaalsContact CG-CD 3.5Å; Y1525-R1590 CovalentContact CZ-NH1 1.72Å; Y1525-R1590 VanDerWaalsContact OH-CZ 3.29Å; Y1525-R1590 PolarHBondContact OH-NH1 3.22Å; Y1525-R1590 PolarHBondContact OH-NH2 3.32Å; Y1525-Y1591 PolarHBondContact O-OH 2.38Å; Y1525-Y1591 VanDerWaalsContact O-OH 3.11Å |
| 1526 | G | 81.7 | Confident | 78 | Confident | 6 Ų | 6 | 43.3 Ų | 43.3 | 6% | 0.062 | 21% | 0.211 | C | C | . | . | trans | 72.3 | 164.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | K1478 A1523 I1524 | K1478-G1526 WeakPolarHBondContact O-CA 3.05Å; A1523-G1526 PolarHBondContact O-N 2.67Å; I1524-G1526 VanDerWaalsContact C-N 3.32Å | ||
| 1527 | L | 82.5 | Confident | 78.6 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | trans | -114.1 | 163.2 | -178.5 | -60.8 | 173.6 | 0 | 0 | 0 | 109.8 | P1476 Y1477 F1480 R1508 F1509 A1523 I1552 | P1476-L1527 CarbonylContact C-O 3.5Å; P1476-L1527 VanDerWaalsContact CA-O 3.25Å; P1476-L1527 WeakPolarHBondContact CA-O 3.47Å; Y1477-L1527 PolarHBondContact N-O 2.53Å; F1480-L1527 HydrophobicContact CE1-CB 4.42Å; F1480-L1527 HydrophobicContact CE1-CD1 3.51Å; F1480-L1527 HydrophobicContact CE1-CG 3.7Å; F1480-L1527 HydrophobicContact CZ-CD1 3.42Å; F1480-L1527 VanDerWaalsContact CZ-CD1 3.42Å; F1480-L1527 HydrophobicContact CZ-CG 4.06Å; R1508-L1527 HydrophobicContact CB-CD2 3.9Å; R1508-L1527 HydrophobicContact CG-CD2 4.32Å; F1509-L1527 HydrophobicContact CE1-CD1 4.27Å; F1509-L1527 HydrophobicContact CZ-CD1 3.88Å; F1509-L1527 HydrophobicContact CZ-CD2 4.4Å; A1523-L1527 HydrophobicContact CB-CG 4.47Å; L1527-I1552 HydrophobicContact CB-CD1 3.44Å; L1527-I1552 VanDerWaalsContact CB-CD1 3.44Å; L1527-I1552 HydrophobicContact CD1-CD1 4.11Å; L1527-I1552 HydrophobicContact CG-CD1 4.43Å | ||
| 1528 | T | 81 | Confident | 79.2 | Confident | 4 Ų | 4 | 39.9 Ų | 39.9 | 3% | 0.025 | 19% | 0.185 | C | C | . | . | trans | -95.5 | 158.8 | -179.2 | 66.3 | 0 | 0 | 0 | 0 | 109.9 | Y1477 R1530 D1531 I1552 F1574 Y1591 | Y1477-T1528 HydrophobicContact CD1-CG2 3.99Å; Y1477-T1528 HydrophobicContact CE1-CG2 3.33Å; T1528-R1530 PolarHBondContact O-N 1.91Å; T1528-R1530 VanDerWaalsContact O-N 3.12Å; T1528-D1531 PolarHBondContact O-N 2.65Å; T1528-I1552 WeakPolarHBondContact O-CD1 3.49Å; T1528-F1574 HydrophobicContact CG2-CZ 4.39Å; T1528-Y1591 HydrophobicContact CG2-CD1 3.59Å; T1528-Y1591 HydrophobicContact CG2-CE1 4.24Å; T1528-Y1591 HydrophobicContact CG2-CG 3.81Å | ||
| 1529 | D | 72.2 | Confident | 79.2 | Confident | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.016 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -68.2 | 0 | -176.6 | 51.4 | -20.7 | 0 | 0 | 0 | 110.9 | P1476 I1552 R1554 Q1562 | P1476-D1529 HydrophobicContact CB-CB 4.39Å; P1476-D1529 HydrophobicContact CG-CB 3.78Å; D1529-I1552 HydrophobicContact CB-CG2 4.21Å; D1529-R1554 HydrophobicContact CB-CG 4.18Å; D1529-Q1562 PolarHBondContact OD2-N 2.73Å |
| 1530 | R | 68.5 | Low | 78.9 | Confident | 107 Ų | 107 | 37.9 Ų | 37.9 | 40% | 0.404 | 18% | 0.18 | S | C | . | . | G | 310 helix | 0 | -24.9 | 0 | -165.5 | 179.5 | 84.8 | -164.6 | -0.4 | 110.8 | T1528 H1532 | T1528-R1530 PolarHBondContact O-N 1.91Å; T1528-R1530 VanDerWaalsContact O-N 3.12Å; R1530-H1532 PolarHBondContact O-N 3.33Å; R1530-H1532 VanDerWaalsContact O-N 3.15Å | |
| 1531 | D | 64.3 | Low | 77.8 | Confident | 27 Ų | 27 | 37.9 Ų | 37.9 | 14% | 0.144 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -84.7 | 0 | -172.4 | -65.5 | -42 | 0 | 0 | 0 | 110.9 | R1508 T1528 F1534 I1552 | R1508-D1531 VanDerWaalsContact NH1-CG 3.26Å; R1508-D1531 IonicContact NH1-OD1 2.81Å; R1508-D1531 PolarHBondContact NH1-OD1 2.66Å; R1508-D1531 IonicContact NH1-OD2 2.23Å; R1508-D1531 PolarHBondContact NH1-OD2 2.43Å; T1528-D1531 PolarHBondContact O-N 2.65Å; D1531-F1534 VanDerWaalsContact O-CB 3.25Å; D1531-F1534 WeakPolarHBondContact O-CB 3.36Å; D1531-I1552 HydrophobicContact CB-CD1 4.09Å |
| 1532 | H | 62.6 | Low | 76.9 | Confident | 34 Ų | 34 | 42.1 Ų | 42.1 | 16% | 0.157 | 23% | 0.233 | C | C | . | . | 0 | 0 | 0 | -127.8 | 80.7 | 0 | 0 | 0 | 110.2 | R1530 E1551 I1552 R1554 | R1530-H1532 PolarHBondContact O-N 3.33Å; R1530-H1532 VanDerWaalsContact O-N 3.15Å; H1532-E1551 WeakPolarHBondContact CE1-CA 3.46Å; H1532-E1551 WeakPolarHBondContact NE2-CA 3.28Å; H1532-E1551 WeakPolarHBondContact NE2-CB 3.35Å; H1532-I1552 PolarHBondContact CD2-O 3.01Å; H1532-I1552 WeakPolarHBondContact CE1-CA 3.31Å; H1532-I1552 WeakPolarHBondContact CE1-CB 3.37Å; H1532-I1552 CovalentContact CE1-N 1.43Å; H1532-I1552 PolarHBondContact CE1-N 3.27Å; H1532-I1552 PolarHBondContact CE1-O 3.19Å; H1532-I1552 VanDerWaalsContact ND1-C 3.32Å; H1532-I1552 WeakPolarHBondContact ND1-CA 3.45Å; H1532-I1552 WeakPolarHBondContact ND1-CB 3.47Å; H1532-I1552 VanDerWaalsContact ND1-CG1 3.3Å; H1532-I1552 WeakPolarHBondContact ND1-CG1 3.16Å; H1532-I1552 PolarHBondContact ND1-N 2.99Å; H1532-I1552 PolarHBondContact ND1-O 3.18Å; H1532-I1552 WeakPolarHBondContact NE2-CA 3.33Å; H1532-I1552 PolarHBondContact NE2-N 2.73Å; H1532-I1552 PolarHBondContact NE2-O 3.38Å; H1532-R1554 PolarHBondContact O-NH2 2.78Å | |||
| 1533 | P | 55.5 | Low | 76.4 | Confident | 108 Ų | 108 | 43.7 Ų | 43.7 | 70% | 0.701 | 24% | 0.241 | S | C | * | . | S | Bend | 0 | 0 | 0 | 17.6 | -16.2 | 0 | 0 | 0 | 111.7 | |||
| 1534 | F | 68.7 | Low | 75.8 | Confident | 25 Ų | 25 | 49.4 Ų | 49.4 | 11% | 0.11 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -179.6 | -95.4 | 0 | 0 | 0 | 109.4 | L1497 F1509 D1531 I1536 I1550 | L1497-F1534 HydrophobicContact CB-CE2 4.48Å; L1497-F1534 HydrophobicContact CB-CZ 4.15Å; L1497-F1534 HydrophobicContact CD1-CE2 4.47Å; L1497-F1534 HydrophobicContact CD1-CZ 4.11Å; L1497-F1534 HydrophobicContact CD2-CD1 4.32Å; L1497-F1534 HydrophobicContact CD2-CD2 4.33Å; L1497-F1534 HydrophobicContact CD2-CE1 3Å; L1497-F1534 HydrophobicContact CD2-CE2 3.02Å; L1497-F1534 HydrophobicContact CD2-CZ 2.07Å; L1497-F1534 HydrophobicContact CG-CE2 4.17Å; L1497-F1534 HydrophobicContact CG-CZ 3.52Å; F1509-F1534 HydrophobicContact CE2-CE1 4.11Å; F1509-F1534 HydrophobicContact CE2-CZ 4.2Å; F1509-F1534 HydrophobicContact CZ-CD1 4.44Å; F1509-F1534 AromaticContact CZ-CE1 3.83Å; F1509-F1534 HydrophobicContact CZ-CE1 3.83Å; F1509-F1534 HydrophobicContact CZ-CZ 4.36Å; D1531-F1534 VanDerWaalsContact O-CB 3.25Å; D1531-F1534 WeakPolarHBondContact O-CB 3.36Å; F1534-I1536 HydrophobicContact CD1-CD1 4.26Å; F1534-I1536 HydrophobicContact CD1-CG1 3.8Å; F1534-I1536 HydrophobicContact CE1-CB 4.47Å; F1534-I1536 HydrophobicContact CE1-CD1 3.44Å; F1534-I1536 VanDerWaalsContact CE1-CD1 3.44Å; F1534-I1536 HydrophobicContact CE1-CG1 3.01Å; F1534-I1536 HydrophobicContact CZ-CD1 4.38Å; F1534-I1536 HydrophobicContact CZ-CG1 3.87Å; F1534-I1550 HydrophobicContact CD1-CD1 3.9Å; F1534-I1550 HydrophobicContact CE1-CD1 4.34Å; F1534-I1550 PolarHBondContact O-N 2.89Å; F1534-I1550 VanDerWaalsContact O-N 3.11Å | |
| 1535 | Q | 82.4 | Confident | 75.6 | Confident | 90 Ų | 90 | 49.3 Ų | 49.3 | 42% | 0.421 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 136.2 | 0 | -65.8 | 179.5 | -8.6 | 0 | 0 | 109.9 | T1548 V1549 | Q1535-T1548 WeakPolarHBondContact CA-O 3.27Å; Q1535-V1549 HydrophobicContact CG-CG2 4.36Å | |
| 1536 | I | 84.9 | Confident | 75.7 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 0 | 173.8 | -65.7 | 179.2 | 0 | 0 | 0 | 109.1 | F1482 A1495 L1497 V1503 F1509 F1534 T1547 T1548 I1550 | F1482-I1536 HydrophobicContact CE1-CD1 3.71Å; F1482-I1536 HydrophobicContact CE1-CG2 4.45Å; F1482-I1536 HydrophobicContact CE2-CG2 4.33Å; F1482-I1536 HydrophobicContact CZ-CB 3.99Å; F1482-I1536 HydrophobicContact CZ-CD1 3.9Å; F1482-I1536 HydrophobicContact CZ-CG2 3.57Å; A1495-I1536 HydrophobicContact CB-CG2 4.06Å; L1497-I1536 HydrophobicContact CD2-CD1 4.44Å; L1497-I1536 HydrophobicContact CD2-CG1 3.92Å; V1503-I1536 HydrophobicContact CG2-CD1 4.36Å; V1503-I1536 HydrophobicContact CG2-CG2 3.63Å; F1509-I1536 HydrophobicContact CD1-CD1 4.44Å; F1509-I1536 HydrophobicContact CE1-CD1 3.87Å; F1509-I1536 HydrophobicContact CE2-CD1 4.4Å; F1509-I1536 HydrophobicContact CZ-CD1 3.86Å; F1534-I1536 HydrophobicContact CD1-CD1 4.26Å; F1534-I1536 HydrophobicContact CD1-CG1 3.8Å; F1534-I1536 HydrophobicContact CE1-CB 4.47Å; F1534-I1536 HydrophobicContact CE1-CD1 3.44Å; F1534-I1536 VanDerWaalsContact CE1-CD1 3.44Å; F1534-I1536 HydrophobicContact CE1-CG1 3.01Å; F1534-I1536 HydrophobicContact CZ-CD1 4.38Å; F1534-I1536 HydrophobicContact CZ-CG1 3.87Å; I1536-T1547 CarbonylContact O-C 3.49Å; I1536-T1547 WeakPolarHBondContact O-CA 2.21Å; I1536-T1548 HydrophobicContact CB-CG2 3.67Å; I1536-T1548 HydrophobicContact CG2-CG2 4.43Å; I1536-T1548 PolarHBondContact N-O 2.74Å; I1536-T1548 VanDerWaalsContact N-O 3.07Å; I1536-T1548 WeakPolarHBondContact O-CG2 3.07Å; I1536-T1548 PolarHBondContact O-N 3.38Å; I1536-I1550 HydrophobicContact CD1-CD1 3.7Å; I1536-I1550 HydrophobicContact CG1-CD1 4.19Å |
| 1537 | H | 87.8 | Confident | 75.8 | Confident | 57 Ų | 57 | 50.5 Ų | 50.5 | 26% | 0.264 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 120.1 | 0 | -61.8 | -86 | 0 | 0 | 0 | 110.5 | A1495 R1496 I1539 R1546 T1547 | A1495-H1537 CarbonylContact C-O 3.1Å; A1495-H1537 WeakPolarHBondContact CA-O 3.12Å; R1496-H1537 PolarHBondContact N-O 3.15Å; R1496-H1537 PolarHBondContact O-N 3.25Å; H1537-I1539 HydrophobicContact CB-CG1 4.47Å; H1537-R1546 CarbonylContact C-O 3.58Å; H1537-T1547 HydrophobicContact CB-CG2 4.12Å; H1537-T1547 WeakPolarHBondContact CE1-CG2 2.75Å; H1537-T1547 WeakPolarHBondContact ND1-CG2 3.28Å | |
| 1538 | C | 89.3 | Confident | 75.8 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 110 | 169.6 | -71.5 | 0 | 0 | 0 | 0 | 111 | I1467 C1484 E1494 F1540 N1545 R1546 | I1467-C1538 HydrophobicContact CD1-CB 3.82Å; I1467-C1538 HydrophobicContact CG1-CB 4.05Å; C1484-C1538 HydrophobicContact CB-CB 3.82Å; C1484-C1538 WeakPolarHBondContact CB-SG 3.32Å; C1484-C1538 WeakPolarHBondContact SG-CB 3.43Å; C1484-C1538 CovalentContact SG-SG 1.83Å; C1484-C1538 PolarHBondContact SG-SG 2.92Å; E1494-C1538 CarbonylContact O-C 3.49Å; E1494-C1538 WeakPolarHBondContact O-CA 3.5Å; C1538-F1540 HydrophobicContact CB-CE2 3.75Å; C1538-F1540 HydrophobicContact CB-CZ 3.92Å; C1538-N1545 WeakPolarHBondContact O-CA 3.4Å; C1538-R1546 WeakPolarHBondContact CA-O 1.46Å; C1538-R1546 WeakPolarHBondContact CB-O 2.65Å; C1538-R1546 PolarHBondContact N-O 2.09Å; C1538-R1546 PolarHBondContact O-N 3.47Å |
| 1539 | I | 86.9 | Confident | 75.8 | Confident | 40 Ų | 40 | 51.9 Ų | 51.9 | 21% | 0.205 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 0 | -176.7 | -58.9 | 174.9 | 0 | 0 | 0 | 108.7 | P1493 E1494 R1496 H1537 N1545 | P1493-I1539 CarbonylContact C-O 3.35Å; P1493-I1539 WeakPolarHBondContact CA-O 3.22Å; E1494-I1539 HydrophobicContact CB-CB 4.47Å; E1494-I1539 PolarHBondContact N-O 3.19Å; E1494-I1539 WeakPolarHBondContact O-CA 3.32Å; E1494-I1539 PolarHBondContact O-N 3.47Å; R1496-I1539 HydrophobicContact CB-CD1 4.06Å; R1496-I1539 HydrophobicContact CG-CD1 3.68Å; H1537-I1539 HydrophobicContact CB-CG1 4.47Å; I1539-N1545 WeakPolarHBondContact CA-OD1 3.22Å; I1539-N1545 WeakPolarHBondContact CG2-OD1 3.4Å |
| 1540 | F | 83 | Confident | 76.2 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | 0 | 96.9 | 0 | -58.2 | -87.3 | 0 | 0 | 0 | 109 | V1465 C1484 I1491 P1493 C1538 G1542 L1543 E1544 N1545 | V1465-F1540 HydrophobicContact CB-CD1 4.36Å; V1465-F1540 HydrophobicContact CB-CD2 3.81Å; V1465-F1540 HydrophobicContact CB-CE1 4.28Å; V1465-F1540 HydrophobicContact CB-CE2 3.72Å; V1465-F1540 HydrophobicContact CB-CG 4.13Å; V1465-F1540 HydrophobicContact CB-CZ 3.96Å; V1465-F1540 HydrophobicContact CG1-CB 4.01Å; V1465-F1540 HydrophobicContact CG1-CD1 3.9Å; V1465-F1540 HydrophobicContact CG1-CD2 3.78Å; V1465-F1540 HydrophobicContact CG1-CE1 4.29Å; V1465-F1540 HydrophobicContact CG1-CE2 4.18Å; V1465-F1540 HydrophobicContact CG1-CG 3.62Å; V1465-F1540 HydrophobicContact CG1-CZ 4.42Å; V1465-F1540 HydrophobicContact CG2-CD2 4.22Å; V1465-F1540 HydrophobicContact CG2-CE2 4.21Å; C1484-F1540 HydrophobicContact CB-CE1 4.23Å; C1484-F1540 HydrophobicContact CB-CZ 3.99Å; I1491-F1540 HydrophobicContact CG2-CB 4.11Å; P1493-F1540 HydrophobicContact CB-CD1 3.41Å; P1493-F1540 VanDerWaalsContact CB-CD1 3.41Å; P1493-F1540 HydrophobicContact CB-CE1 3.22Å; P1493-F1540 HydrophobicContact CB-CG 4.44Å; P1493-F1540 HydrophobicContact CB-CZ 4.15Å; P1493-F1540 HydrophobicContact CG-CD1 4.23Å; P1493-F1540 HydrophobicContact CG-CE1 3.92Å; C1538-F1540 HydrophobicContact CB-CE2 3.75Å; C1538-F1540 HydrophobicContact CB-CZ 3.92Å; F1540-G1542 PolarHBondContact O-N 3.21Å; F1540-G1542 VanDerWaalsContact O-N 3.07Å; F1540-L1543 HydrophobicContact CB-CB 3.82Å; F1540-L1543 HydrophobicContact CB-CD1 4.35Å; F1540-L1543 PolarHBondContact O-N 2.8Å; F1540-E1544 WeakPolarHBondContact CD2-O 3.41Å; F1540-N1545 PolarHBondContact N-OD1 3.42Å | |||
| 1541 | P | 69.6 | Low | 76.6 | Confident | 72 Ų | 72 | 50.1 Ų | 50.1 | 47% | 0.468 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.7 | 0 | -179.2 | -18.3 | 27 | 0 | 0 | 0 | 111.6 | I1491 K1492 L1543 | I1491-P1541 VanDerWaalsContact CD1-O 3.3Å; I1491-P1541 WeakPolarHBondContact CD1-O 3.18Å; K1492-P1541 WeakPolarHBondContact O-CD 3.25Å; P1541-L1543 VanDerWaalsContact C-N 3.31Å; P1541-L1543 PolarHBondContact O-N 3.32Å |
| 1542 | G | 69.2 | Low | 77.3 | Confident | 89 Ų | 89 | 49 Ų | 49 | 92% | 0.918 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | -14.8 | 0 | 0 | 0 | 0 | 0 | 0 | 111.2 | F1540 | F1540-G1542 PolarHBondContact O-N 3.21Å; F1540-G1542 VanDerWaalsContact O-N 3.07Å | |
| 1543 | L | 75.2 | Confident | 77.8 | Confident | 37 Ų | 37 | 51.8 Ų | 51.8 | 19% | 0.194 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -118.2 | 0 | 178.9 | -62.4 | 171.1 | 0 | 0 | 0 | 110 | V1465 V1488 I1491 F1540 P1541 | V1465-L1543 HydrophobicContact CG1-CB 3.89Å; V1465-L1543 HydrophobicContact CG1-CD1 3.52Å; V1465-L1543 HydrophobicContact CG1-CG 4.35Å; V1488-L1543 HydrophobicContact CB-CD1 4.01Å; V1488-L1543 HydrophobicContact CG2-CD1 3.89Å; V1488-L1543 HydrophobicContact CG2-CD2 4.4Å; I1491-L1543 HydrophobicContact CB-CD1 4.37Å; I1491-L1543 HydrophobicContact CD1-CD1 3.13Å; I1491-L1543 HydrophobicContact CD1-CD2 4.18Å; I1491-L1543 HydrophobicContact CD1-CG 3.31Å; I1491-L1543 HydrophobicContact CG1-CD1 4.19Å; I1491-L1543 HydrophobicContact CG2-CD1 4.16Å; F1540-L1543 HydrophobicContact CB-CB 3.82Å; F1540-L1543 HydrophobicContact CB-CD1 4.35Å; F1540-L1543 PolarHBondContact O-N 2.8Å; P1541-L1543 VanDerWaalsContact C-N 3.31Å; P1541-L1543 PolarHBondContact O-N 3.32Å |
| 1544 | E | 71 | Confident | 78.7 | Confident | 120 Ų | 120 | 53.7 Ų | 53.7 | 56% | 0.561 | 28% | 0.282 | S | S | * | . | 0 | 0 | 0 | -154.5 | 174.8 | 177.6 | 0 | 0 | 110.7 | V1465 F1540 | V1465-E1544 WeakPolarHBondContact CG2-O 3.17Å; F1540-E1544 WeakPolarHBondContact CD2-O 3.41Å | |||
| 1545 | N | 75.5 | Confident | 79.1 | Confident | 92 Ų | 92 | 55.7 Ų | 55.7 | 49% | 0.492 | 30% | 0.297 | S | S | . | . | 0 | 135.8 | 0 | -61.5 | -19.6 | 0 | 0 | 0 | 111.4 | C1538 I1539 F1540 | C1538-N1545 WeakPolarHBondContact O-CA 3.4Å; I1539-N1545 WeakPolarHBondContact CA-OD1 3.22Å; I1539-N1545 WeakPolarHBondContact CG2-OD1 3.4Å; F1540-N1545 PolarHBondContact N-OD1 3.42Å | |||
| 1546 | R | 78.8 | Confident | 78.9 | Confident | 90 Ų | 90 | 51.9 Ų | 51.9 | 34% | 0.34 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 0 | 176.2 | -80.5 | -154.7 | 171 | -172.9 | 0.7 | 109.9 | V1465 I1467 H1537 C1538 | V1465-R1546 HydrophobicContact CG2-CG 4.17Å; I1467-R1546 HydrophobicContact CD1-CB 3.21Å; I1467-R1546 VanDerWaalsContact CD1-O 3.3Å; I1467-R1546 WeakPolarHBondContact CD1-O 3.48Å; I1467-R1546 HydrophobicContact CG1-CB 3.76Å; H1537-R1546 CarbonylContact C-O 3.58Å; C1538-R1546 WeakPolarHBondContact CA-O 1.46Å; C1538-R1546 WeakPolarHBondContact CB-O 2.65Å; C1538-R1546 PolarHBondContact N-O 2.09Å; C1538-R1546 PolarHBondContact O-N 3.47Å |
| 1547 | T | 83.3 | Confident | 78.2 | Confident | 61 Ų | 61 | 55.9 Ų | 55.9 | 37% | 0.374 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 135.4 | 0 | 49.8 | 0 | 0 | 0 | 0 | 109.2 | I1536 H1537 | I1536-T1547 CarbonylContact O-C 3.49Å; I1536-T1547 WeakPolarHBondContact O-CA 2.21Å; H1537-T1547 HydrophobicContact CB-CG2 4.12Å; H1537-T1547 WeakPolarHBondContact CE1-CG2 2.75Å; H1537-T1547 WeakPolarHBondContact ND1-CG2 3.28Å | |
| 1548 | T | 82.3 | Confident | 77.1 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 0 | 173.3 | -171.8 | 0 | 0 | 0 | 0 | 110 | P1469 S1470 F1482 Q1535 I1536 | P1469-T1548 PolarHBondContact O-OG1 2.94Å; S1470-T1548 CarbonylContact O-C 3.14Å; S1470-T1548 WeakPolarHBondContact O-CA 3.4Å; S1470-T1548 PolarHBondContact O-OG1 3.04Å; F1482-T1548 HydrophobicContact CD1-CG2 4.26Å; F1482-T1548 HydrophobicContact CD2-CG2 3.98Å; F1482-T1548 HydrophobicContact CE1-CG2 3.99Å; F1482-T1548 HydrophobicContact CE2-CG2 3.69Å; F1482-T1548 HydrophobicContact CG-CG2 4.25Å; F1482-T1548 HydrophobicContact CZ-CG2 3.7Å; Q1535-T1548 WeakPolarHBondContact CA-O 3.27Å; I1536-T1548 HydrophobicContact CB-CG2 3.67Å; I1536-T1548 HydrophobicContact CG2-CG2 4.43Å; I1536-T1548 PolarHBondContact N-O 2.74Å; I1536-T1548 VanDerWaalsContact N-O 3.07Å; I1536-T1548 WeakPolarHBondContact O-CG2 3.07Å; I1536-T1548 PolarHBondContact O-N 3.38Å |
| 1549 | V | 80.2 | Confident | 76 | Confident | 37 Ų | 37 | 61.7 Ų | 61.7 | 22% | 0.224 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 122.3 | 0 | -179.2 | 0 | 0 | 0 | 0 | 108.1 | S1470 I1471 I1472 Q1535 E1551 | S1470-V1549 PolarHBondContact O-N 3.48Å; I1471-V1549 CarbonylContact C-O 3.56Å; I1471-V1549 VanDerWaalsContact CA-O 3.31Å; I1471-V1549 WeakPolarHBondContact CA-O 3.48Å; I1472-V1549 PolarHBondContact N-O 3.39Å; Q1535-V1549 HydrophobicContact CG-CG2 4.36Å; V1549-E1551 HydrophobicContact CG1-CG 3.99Å | |
| 1550 | I | 82.5 | Confident | 75.7 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 115.7 | 177.8 | -59 | 166 | 0 | 0 | 0 | 109.1 | I1472 V1474 F1480 F1509 F1534 I1536 I1552 | I1472-I1550 CarbonylContact O-C 3.44Å; I1472-I1550 WeakPolarHBondContact O-CA 3.11Å; V1474-I1550 HydrophobicContact CG2-CG2 4.31Å; F1480-I1550 HydrophobicContact CE1-CG2 3.9Å; F1480-I1550 HydrophobicContact CE2-CD1 3.36Å; F1480-I1550 HydrophobicContact CE2-CG1 3.88Å; F1480-I1550 HydrophobicContact CE2-CG2 3.95Å; F1480-I1550 HydrophobicContact CZ-CB 4.45Å; F1480-I1550 HydrophobicContact CZ-CD1 3.53Å; F1480-I1550 HydrophobicContact CZ-CG1 4.17Å; F1480-I1550 HydrophobicContact CZ-CG2 3.55Å; F1509-I1550 HydrophobicContact CE1-CD1 4.45Å; F1534-I1550 HydrophobicContact CD1-CD1 3.9Å; F1534-I1550 HydrophobicContact CE1-CD1 4.34Å; F1534-I1550 PolarHBondContact O-N 2.89Å; F1534-I1550 VanDerWaalsContact O-N 3.11Å; I1536-I1550 HydrophobicContact CD1-CD1 3.7Å; I1536-I1550 HydrophobicContact CG1-CD1 4.19Å; I1550-I1552 HydrophobicContact CG2-CG1 4.34Å |
| 1551 | E | 76 | Confident | 75.5 | Confident | 72 Ų | 72 | 63 Ų | 63 | 34% | 0.336 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 110.7 | -177.7 | -70.5 | -178.3 | 174.6 | 0 | 0 | 109.1 | I1472 H1473 V1474 H1532 V1549 | I1472-E1551 PolarHBondContact O-N 2.75Å; H1473-E1551 CarbonylContact C-O 3.57Å; H1473-E1551 WeakPolarHBondContact CA-O 3.39Å; H1473-E1551 IonicContact CD2-OE2 3.22Å; H1473-E1551 VanDerWaalsContact CE1-CB 3.45Å; H1473-E1551 WeakPolarHBondContact CE1-CB 3.35Å; H1473-E1551 IonicContact CE1-OE1 3.64Å; H1473-E1551 CovalentContact CE1-OE2 1.72Å; H1473-E1551 IonicContact CE1-OE2 3.08Å; H1473-E1551 PolarHBondContact CE1-OE2 3.11Å; H1473-E1551 IonicContact CG-OE2 2.54Å; H1473-E1551 WeakPolarHBondContact ND1-CB 3.38Å; H1473-E1551 IonicContact ND1-OE2 3.09Å; H1473-E1551 PolarHBondContact ND1-OE2 2.8Å; H1473-E1551 IonicContact NE2-OE2 3.08Å; H1473-E1551 PolarHBondContact NE2-OE2 3.37Å; V1474-E1551 PolarHBondContact N-O 2.58Å; H1532-E1551 WeakPolarHBondContact CE1-CA 3.46Å; H1532-E1551 WeakPolarHBondContact NE2-CA 3.28Å; H1532-E1551 WeakPolarHBondContact NE2-CB 3.35Å; V1549-E1551 HydrophobicContact CG1-CG 3.99Å |
| 1552 | I | 79.9 | Confident | 76.1 | Confident | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 119 | 177.5 | -58.4 | 165.4 | 0 | 0 | 0 | 110.2 | V1474 P1476 L1527 T1528 D1529 D1531 H1532 I1550 | V1474-I1552 HydrophobicContact CG2-CG1 4.03Å; V1474-I1552 CarbonylContact O-C 3.54Å; V1474-I1552 WeakPolarHBondContact O-CA 3.28Å; P1476-I1552 HydrophobicContact CB-CG2 4.22Å; P1476-I1552 HydrophobicContact CG-CG2 3.84Å; L1527-I1552 HydrophobicContact CB-CD1 3.44Å; L1527-I1552 VanDerWaalsContact CB-CD1 3.44Å; L1527-I1552 HydrophobicContact CD1-CD1 4.11Å; L1527-I1552 HydrophobicContact CG-CD1 4.43Å; T1528-I1552 WeakPolarHBondContact O-CD1 3.49Å; D1529-I1552 HydrophobicContact CB-CG2 4.21Å; D1531-I1552 HydrophobicContact CB-CD1 4.09Å; H1532-I1552 PolarHBondContact CD2-O 3.01Å; H1532-I1552 WeakPolarHBondContact CE1-CA 3.31Å; H1532-I1552 WeakPolarHBondContact CE1-CB 3.37Å; H1532-I1552 CovalentContact CE1-N 1.43Å; H1532-I1552 PolarHBondContact CE1-N 3.27Å; H1532-I1552 PolarHBondContact CE1-O 3.19Å; H1532-I1552 VanDerWaalsContact ND1-C 3.32Å; H1532-I1552 WeakPolarHBondContact ND1-CA 3.45Å; H1532-I1552 WeakPolarHBondContact ND1-CB 3.47Å; H1532-I1552 VanDerWaalsContact ND1-CG1 3.3Å; H1532-I1552 WeakPolarHBondContact ND1-CG1 3.16Å; H1532-I1552 PolarHBondContact ND1-N 2.99Å; H1532-I1552 PolarHBondContact ND1-O 3.18Å; H1532-I1552 WeakPolarHBondContact NE2-CA 3.33Å; H1532-I1552 PolarHBondContact NE2-N 2.73Å; H1532-I1552 PolarHBondContact NE2-O 3.38Å; I1550-I1552 HydrophobicContact CG2-CG1 4.34Å |
| 1553 | E | 72.9 | Confident | 76.7 | Confident | 93 Ų | 93 | 57.2 Ų | 57.2 | 44% | 0.435 | 31% | 0.309 | S | S | . | . | trans | -55.8 | 0 | 179.3 | -75 | 179.8 | -179.2 | 0 | 0 | 110.9 | V1474 Q1475 P1476 P1555 | V1474-E1553 PolarHBondContact O-N 3.03Å; Q1475-E1553 VanDerWaalsContact CD-OE2 3.31Å; Q1475-E1553 HydrophobicContact CG-CB 4.36Å; Q1475-E1553 WeakPolarHBondContact CG-OE2 3.4Å; Q1475-E1553 PolarHBondContact NE2-OE2 2.5Å; P1476-E1553 WeakPolarHBondContact CD-O 3.4Å; P1476-E1553 VanDerWaalsContact CG-O 3.23Å; P1476-E1553 WeakPolarHBondContact CG-O 3.46Å; E1553-P1555 WeakPolarHBondContact O-CD 3.29Å | ||
| 1554 | R | 74.6 | Confident | 76.7 | Confident | 147 Ų | 147 | 60.3 Ų | 60.3 | 56% | 0.555 | 32% | 0.323 | S | S | * | . | 0 | 84.6 | 0 | -77.1 | -176.8 | -134.2 | -132.2 | 1.5 | 109.6 | D1529 H1532 C1556 | D1529-R1554 HydrophobicContact CB-CG 4.18Å; H1532-R1554 PolarHBondContact O-NH2 2.78Å; R1554-C1556 PolarHBondContact O-N 2.81Å | |||
| 1555 | P | 75.9 | Confident | 77 | Confident | 67 Ų | 67 | 57.9 Ų | 57.9 | 44% | 0.435 | 31% | 0.314 | S | S | . | . | trans | -72.1 | 0 | -176.4 | 16.6 | -18 | 0 | 0 | 0 | 111.8 | P1476 E1553 Q1562 | P1476-P1555 HydrophobicContact CG-CG 4.08Å; E1553-P1555 WeakPolarHBondContact O-CD 3.29Å; P1555-Q1562 HydrophobicContact CG-CB 4.14Å; P1555-Q1562 HydrophobicContact CG-CG 4.33Å | ||
| 1556 | C | 77.9 | Confident | 76.7 | Confident | 10 Ų | 10 | 55.2 Ų | 55.2 | 7% | 0.068 | 31% | 0.308 | C | S | . | . | S | Bend | 0 | 139 | 0 | -66.3 | 0 | 0 | 0 | 0 | 110 | R1554 Q1560 Q1562 C1568 | R1554-C1556 PolarHBondContact O-N 2.81Å; C1556-Q1560 HydrophobicContact CB-CB 4.04Å; C1556-Q1562 WeakPolarHBondContact SG-CA 3.44Å; C1556-Q1562 WeakPolarHBondContact SG-CB 3.34Å; C1556-Q1562 PolarHBondContact SG-N 2.71Å; C1556-C1568 WeakPolarHBondContact CA-SG 3.41Å; C1556-C1568 HydrophobicContact CB-CB 3.59Å; C1556-C1568 WeakPolarHBondContact CB-SG 3.18Å; C1556-C1568 VanDerWaalsContact SG-CA 3.54Å; C1556-C1568 WeakPolarHBondContact SG-CB 3.35Å; C1556-C1568 CovalentContact SG-SG 1.87Å; C1556-C1568 PolarHBondContact SG-SG 3.04Å | |
| 1557 | P | 71.6 | Confident | 76.7 | Confident | 84 Ų | 84 | 58.3 Ų | 58.3 | 55% | 0.545 | 32% | 0.32 | S | S | . | . | trans | -48 | 145.6 | 177.6 | -5.2 | 8.7 | 0 | 0 | 0 | 111.8 | G1559 Q1560 | P1557-G1559 PolarHBondContact O-N 2.96Å; P1557-Q1560 PolarHBondContact O-N 2.76Å | ||
| 1558 | S | 63.3 | Low | 76.6 | Confident | 136 Ų | 136 | 57.6 Ų | 57.6 | 95% | 0.951 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.6 | 0 | -178.9 | -43.5 | 0 | 0 | 0 | 0 | 111.1 | ||
| 1559 | G | 67 | Low | 76.3 | Confident | 43 Ų | 43 | 59.3 Ų | 59.3 | 44% | 0.443 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 2.4 | 0 | 0 | 0 | 0 | 0 | 0 | 110.9 | P1557 P1570 F1571 | P1557-G1559 PolarHBondContact O-N 2.96Å; G1559-P1570 WeakPolarHBondContact O-CA 3.47Å; G1559-F1571 VanDerWaalsContact C-CD2 3.42Å; G1559-F1571 VanDerWaalsContact C-CE2 3.44Å; G1559-F1571 VanDerWaalsContact CA-CE2 3.47Å; G1559-F1571 WeakPolarHBondContact O-CD2 3.43Å; G1559-F1571 PolarHBondContact O-N 2.18Å | |
| 1560 | Q | 80.2 | Confident | 76 | Confident | 67 Ų | 67 | 59.9 Ų | 59.9 | 31% | 0.313 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 0 | 179.8 | -65.6 | -175.4 | -2.8 | 0 | 0 | 109.8 | C1556 P1557 C1568 L1569 F1571 | C1556-Q1560 HydrophobicContact CB-CB 4.04Å; P1557-Q1560 PolarHBondContact O-N 2.76Å; Q1560-C1568 HydrophobicContact CB-CB 4.21Å; Q1560-C1568 VanDerWaalsContact OE1-CB 3.25Å; Q1560-L1569 CarbonylContact C-O 3.45Å; Q1560-L1569 VanDerWaalsContact C-O 3.28Å; Q1560-L1569 WeakPolarHBondContact CA-O 3.32Å; Q1560-L1569 VanDerWaalsContact CB-O 3.31Å; Q1560-L1569 WeakPolarHBondContact CB-O 2.77Å; Q1560-F1571 WeakPolarHBondContact O-CE1 3.07Å; Q1560-F1571 WeakPolarHBondContact O-CZ 3.35Å |
| 1561 | F | 78.3 | Confident | 75.3 | Confident | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.009 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 148.5 | 0 | 73.4 | -85.5 | 0 | 0 | 0 | 109.9 | C1568 L1569 P1570 F1571 F1574 D1586 | F1561-C1568 CarbonylContact O-C 3.53Å; F1561-C1568 VanDerWaalsContact O-CA 3.29Å; F1561-C1568 WeakPolarHBondContact O-CA 3.43Å; F1561-L1569 WeakPolarHBondContact CD1-O 3.37Å; F1561-L1569 HydrophobicContact CE1-CB 4.01Å; F1561-L1569 HydrophobicContact CZ-CB 4.31Å; F1561-L1569 PolarHBondContact N-O 2.97Å; F1561-L1569 PolarHBondContact O-N 2.78Å; F1561-P1570 WeakPolarHBondContact CE1-O 3.14Å; F1561-F1571 HydrophobicContact CB-CD1 3.57Å; F1561-F1571 HydrophobicContact CB-CE1 3.38Å; F1561-F1571 AromaticContact CD1-CD1 3.99Å; F1561-F1571 HydrophobicContact CD1-CD1 3.99Å; F1561-F1571 HydrophobicContact CG-CD1 4.24Å; F1561-F1571 HydrophobicContact CG-CE1 4.49Å; F1561-F1574 HydrophobicContact CD1-CB 3.94Å; F1561-F1574 HydrophobicContact CD1-CD2 4.22Å; F1561-F1574 HydrophobicContact CD1-CG 4.44Å; F1561-F1574 AromaticContact CD2-CD2 3.55Å; F1561-F1574 HydrophobicContact CD2-CD2 3.55Å; F1561-F1574 HydrophobicContact CD2-CE2 4.02Å; F1561-F1574 HydrophobicContact CD2-CG 4.46Å; F1561-F1574 HydrophobicContact CE1-CB 3.38Å; F1561-F1574 AromaticContact CE1-CD2 3.79Å; F1561-F1574 HydrophobicContact CE1-CD2 3.79Å; F1561-F1574 HydrophobicContact CE1-CG 4.04Å; F1561-F1574 HydrophobicContact CE2-CB 4.3Å; F1561-F1574 AromaticContact CE2-CD2 3.03Å; F1561-F1574 HydrophobicContact CE2-CD2 3.03Å; F1561-F1574 AromaticContact CE2-CE2 3.68Å; F1561-F1574 HydrophobicContact CE2-CE2 3.68Å; F1561-F1574 HydrophobicContact CE2-CG 4.07Å; F1561-F1574 HydrophobicContact CG-CD2 4.11Å; F1561-F1574 HydrophobicContact CZ-CB 3.59Å; F1561-F1574 AromaticContact CZ-CD2 3.18Å; F1561-F1574 HydrophobicContact CZ-CD2 3.18Å; F1561-F1574 HydrophobicContact CZ-CE2 4.24Å; F1561-F1574 AromaticContact CZ-CG 3.85Å; F1561-F1574 HydrophobicContact CZ-CG 3.85Å; F1561-D1586 HydrophobicContact CE2-CB 4.04Å; F1561-D1586 HydrophobicContact CZ-CB 3.61Å | |
| 1562 | Q | 82.8 | Confident | 75 | Confident | 39 Ų | 39 | 66.2 Ų | 66.2 | 18% | 0.182 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 118.3 | -175.3 | -175.8 | 178.1 | 29.9 | 0 | 0 | 109.7 | Y1477 D1529 P1555 C1556 R1567 | Y1477-Q1562 WeakPolarHBondContact CE2-O 3.1Å; Y1477-Q1562 VanDerWaalsContact CZ-O 3.25Å; Y1477-Q1562 PolarHBondContact OH-O 1.79Å; D1529-Q1562 PolarHBondContact OD2-N 2.73Å; P1555-Q1562 HydrophobicContact CG-CB 4.14Å; P1555-Q1562 HydrophobicContact CG-CG 4.33Å; C1556-Q1562 WeakPolarHBondContact SG-CA 3.44Å; C1556-Q1562 WeakPolarHBondContact SG-CB 3.34Å; C1556-Q1562 PolarHBondContact SG-N 2.71Å; Q1562-R1567 CarbonylContact C-O 3.22Å; Q1562-R1567 WeakPolarHBondContact CA-O 3.36Å |
| 1563 | C | 82.2 | Confident | 74.8 | Confident | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.007 | 37% | 0.374 | C | S | . | . | trans | -60 | 158.2 | 168.6 | -75.6 | 0 | 0 | 0 | 0 | 111.4 | D1565 G1566 R1567 C1581 | C1563-D1565 WeakPolarHBondContact CB-OD1 3.36Å; C1563-D1565 PolarHBondContact O-N 3.48Å; C1563-G1566 PolarHBondContact O-N 2.7Å; C1563-R1567 HydrophobicContact CB-CB 4.26Å; C1563-R1567 WeakPolarHBondContact CB-O 3.32Å; C1563-R1567 PolarHBondContact N-O 3.44Å; C1563-C1581 HydrophobicContact CB-CB 3.81Å; C1563-C1581 WeakPolarHBondContact CB-SG 3.49Å; C1563-C1581 WeakPolarHBondContact SG-CB 3.42Å; C1563-C1581 CovalentContact SG-SG 1.4Å; C1563-C1581 PolarHBondContact SG-SG 3.49Å | ||
| 1564 | M | 75.6 | Confident | 74.8 | Confident | 101 Ų | 101 | 64.6 Ų | 64.6 | 50% | 0.498 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -23.8 | 178.8 | -143.7 | 177.7 | -135.7 | 0 | 0 | 110.8 | Y1477 G1566 D1583 S1585 Y1591 | Y1477-M1564 HydrophobicContact CD1-CE 4.26Å; Y1477-M1564 HydrophobicContact CD1-CG 4.47Å; Y1477-M1564 HydrophobicContact CD2-CG 4.36Å; Y1477-M1564 HydrophobicContact CG-CE 4.49Å; Y1477-M1564 HydrophobicContact CG-CG 4.19Å; M1564-G1566 PolarHBondContact O-N 2.82Å; M1564-D1583 WeakPolarHBondContact CA-OD2 3.33Å; M1564-D1583 WeakPolarHBondContact CB-OD2 3.26Å; M1564-S1585 WeakPolarHBondContact CB-OG 3.23Å; M1564-S1585 PolarHBondContact N-OG 2.87Å; M1564-Y1591 HydrophobicContact CE-CE2 3.79Å; M1564-Y1591 WeakPolarHBondContact CE-OH 2.9Å |
| 1565 | D | 75.6 | Confident | 74.6 | Confident | 70 Ų | 70 | 59.9 Ų | 59.9 | 37% | 0.374 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 0 | 178.6 | 60.5 | -9.3 | 0 | 0 | 0 | 110.9 | C1563 R1567 S1582 D1583 | C1563-D1565 WeakPolarHBondContact CB-OD1 3.36Å; C1563-D1565 PolarHBondContact O-N 3.48Å; D1565-R1567 PolarHBondContact OD1-N 3.4Å; D1565-S1582 WeakPolarHBondContact OD2-CB 3.44Å; D1565-D1583 PolarHBondContact N-OD2 3.31Å |
| 1566 | G | 69.4 | Low | 74 | Confident | 35 Ų | 35 | 60 Ų | 60 | 36% | 0.361 | 34% | 0.342 | S | S | . | . | S | Bend | 0 | -7.6 | 0 | 0 | 0 | 0 | 0 | 0 | 110.9 | C1563 M1564 | C1563-G1566 PolarHBondContact O-N 2.7Å; M1564-G1566 PolarHBondContact O-N 2.82Å | |
| 1567 | R | 78.8 | Confident | 73.2 | Confident | 156 Ų | 156 | 62.9 Ų | 62.9 | 59% | 0.589 | 37% | 0.374 | S | S | * | . | trans | -78.6 | 143.5 | 178.8 | -84 | -176.9 | -172.7 | 164 | 0.9 | 110.8 | Q1562 C1563 D1565 S1582 | Q1562-R1567 CarbonylContact C-O 3.22Å; Q1562-R1567 WeakPolarHBondContact CA-O 3.36Å; C1563-R1567 HydrophobicContact CB-CB 4.26Å; C1563-R1567 WeakPolarHBondContact CB-O 3.32Å; C1563-R1567 PolarHBondContact N-O 3.44Å; D1565-R1567 PolarHBondContact OD1-N 3.4Å; R1567-S1582 PolarHBondContact NH1-OG 3.09Å | ||
| 1568 | C | 81.8 | Confident | 72.7 | Confident | 45 Ų | 45 | 65.9 Ų | 65.9 | 30% | 0.304 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 118.2 | -176.1 | -68.1 | 0 | 0 | 0 | 0 | 109.4 | C1556 Q1560 F1561 | C1556-C1568 WeakPolarHBondContact CA-SG 3.41Å; C1556-C1568 HydrophobicContact CB-CB 3.59Å; C1556-C1568 WeakPolarHBondContact CB-SG 3.18Å; C1556-C1568 VanDerWaalsContact SG-CA 3.54Å; C1556-C1568 WeakPolarHBondContact SG-CB 3.35Å; C1556-C1568 CovalentContact SG-SG 1.87Å; C1556-C1568 PolarHBondContact SG-SG 3.04Å; Q1560-C1568 HydrophobicContact CB-CB 4.21Å; Q1560-C1568 VanDerWaalsContact OE1-CB 3.25Å; F1561-C1568 CarbonylContact O-C 3.53Å; F1561-C1568 VanDerWaalsContact O-CA 3.29Å; F1561-C1568 WeakPolarHBondContact O-CA 3.43Å |
| 1569 | L | 76.3 | Confident | 73.3 | Confident | 36 Ų | 36 | 62.4 Ų | 62.4 | 19% | 0.188 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 151.6 | 177.3 | -66.8 | 175.1 | 0 | 0 | 0 | 109.9 | Q1560 F1561 L1573 D1580 C1581 | Q1560-L1569 CarbonylContact C-O 3.45Å; Q1560-L1569 VanDerWaalsContact C-O 3.28Å; Q1560-L1569 WeakPolarHBondContact CA-O 3.32Å; Q1560-L1569 VanDerWaalsContact CB-O 3.31Å; Q1560-L1569 WeakPolarHBondContact CB-O 2.77Å; F1561-L1569 WeakPolarHBondContact CD1-O 3.37Å; F1561-L1569 HydrophobicContact CE1-CB 4.01Å; F1561-L1569 HydrophobicContact CZ-CB 4.31Å; F1561-L1569 PolarHBondContact N-O 2.97Å; F1561-L1569 PolarHBondContact O-N 2.78Å; L1569-L1573 HydrophobicContact CB-CD1 4.28Å; L1569-L1573 HydrophobicContact CD2-CD1 4.38Å; L1569-D1580 HydrophobicContact CD1-CB 3.69Å; L1569-D1580 WeakPolarHBondContact CD1-O 3.42Å; L1569-C1581 VanDerWaalsContact CD1-SG 3.58Å |
| 1570 | P | 73 | Confident | 73.7 | Confident | 50 Ų | 50 | 62.6 Ų | 62.6 | 33% | 0.325 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 142.1 | 176.5 | -19.5 | 26.9 | 0 | 0 | 0 | 111.6 | G1559 F1561 N1572 L1573 | G1559-P1570 WeakPolarHBondContact O-CA 3.47Å; F1561-P1570 WeakPolarHBondContact CE1-O 3.14Å; P1570-N1572 WeakPolarHBondContact CB-OD1 3.12Å; P1570-N1572 PolarHBondContact O-N 3.42Å; P1570-N1572 VanDerWaalsContact O-N 3.09Å; P1570-N1572 PolarHBondContact O-OD1 2.69Å; P1570-L1573 HydrophobicContact CG-CD1 4.11Å; P1570-L1573 PolarHBondContact O-N 3.43Å |
| 1571 | F | 68.3 | Low | 73.4 | Confident | 79 Ų | 79 | 59.6 Ų | 59.6 | 35% | 0.346 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -55.9 | 0 | -171.1 | -75.8 | -45.6 | 0 | 0 | 0 | 110.5 | G1559 Q1560 F1561 L1573 F1574 | G1559-F1571 VanDerWaalsContact C-CD2 3.42Å; G1559-F1571 VanDerWaalsContact C-CE2 3.44Å; G1559-F1571 VanDerWaalsContact CA-CE2 3.47Å; G1559-F1571 WeakPolarHBondContact O-CD2 3.43Å; G1559-F1571 PolarHBondContact O-N 2.18Å; Q1560-F1571 WeakPolarHBondContact O-CE1 3.07Å; Q1560-F1571 WeakPolarHBondContact O-CZ 3.35Å; F1561-F1571 HydrophobicContact CB-CD1 3.57Å; F1561-F1571 HydrophobicContact CB-CE1 3.38Å; F1561-F1571 AromaticContact CD1-CD1 3.99Å; F1561-F1571 HydrophobicContact CD1-CD1 3.99Å; F1561-F1571 HydrophobicContact CG-CD1 4.24Å; F1561-F1571 HydrophobicContact CG-CE1 4.49Å; F1571-L1573 PolarHBondContact O-N 3.25Å; F1571-F1574 WeakPolarHBondContact O-CB 3.09Å; F1571-F1574 PolarHBondContact O-N 3.2Å |
| 1572 | N | 69.9 | Low | 73.1 | Confident | 125 Ų | 125 | 63.1 Ų | 63.1 | 67% | 0.668 | 36% | 0.356 | S | S | * | . | G | 310 helix | 0 | -13.6 | 0 | 56.7 | -23.5 | 0 | 0 | 0 | 111.7 | P1570 | P1570-N1572 WeakPolarHBondContact CB-OD1 3.12Å; P1570-N1572 PolarHBondContact O-N 3.42Å; P1570-N1572 VanDerWaalsContact O-N 3.09Å; P1570-N1572 PolarHBondContact O-OD1 2.69Å | |
| 1573 | L | 74.7 | Confident | 72.6 | Confident | 48 Ų | 48 | 64.1 Ų | 64.1 | 25% | 0.251 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -94.8 | 4.2 | -178.5 | -66.6 | 170.4 | 0 | 0 | 0 | 110 | L1569 P1570 F1571 D1580 D1586 | L1569-L1573 HydrophobicContact CB-CD1 4.28Å; L1569-L1573 HydrophobicContact CD2-CD1 4.38Å; P1570-L1573 HydrophobicContact CG-CD1 4.11Å; P1570-L1573 PolarHBondContact O-N 3.43Å; F1571-L1573 PolarHBondContact O-N 3.25Å; L1573-D1580 HydrophobicContact CB-CB 4.26Å; L1573-D1586 VanDerWaalsContact O-OD2 3.13Å |
| 1574 | F | 73.6 | Confident | 72 | Confident | 16 Ų | 16 | 66.8 Ų | 66.8 | 7% | 0.07 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 116.5 | -179.8 | -170.8 | -101.3 | 0 | 0 | 0 | 109.4 | T1528 F1561 F1571 D1576 D1586 | T1528-F1574 HydrophobicContact CG2-CZ 4.39Å; F1561-F1574 HydrophobicContact CD1-CB 3.94Å; F1561-F1574 HydrophobicContact CD1-CD2 4.22Å; F1561-F1574 HydrophobicContact CD1-CG 4.44Å; F1561-F1574 AromaticContact CD2-CD2 3.55Å; F1561-F1574 HydrophobicContact CD2-CD2 3.55Å; F1561-F1574 HydrophobicContact CD2-CE2 4.02Å; F1561-F1574 HydrophobicContact CD2-CG 4.46Å; F1561-F1574 HydrophobicContact CE1-CB 3.38Å; F1561-F1574 AromaticContact CE1-CD2 3.79Å; F1561-F1574 HydrophobicContact CE1-CD2 3.79Å; F1561-F1574 HydrophobicContact CE1-CG 4.04Å; F1561-F1574 HydrophobicContact CE2-CB 4.3Å; F1561-F1574 AromaticContact CE2-CD2 3.03Å; F1561-F1574 HydrophobicContact CE2-CD2 3.03Å; F1561-F1574 AromaticContact CE2-CE2 3.68Å; F1561-F1574 HydrophobicContact CE2-CE2 3.68Å; F1561-F1574 HydrophobicContact CE2-CG 4.07Å; F1561-F1574 HydrophobicContact CG-CD2 4.11Å; F1561-F1574 HydrophobicContact CZ-CB 3.59Å; F1561-F1574 AromaticContact CZ-CD2 3.18Å; F1561-F1574 HydrophobicContact CZ-CD2 3.18Å; F1561-F1574 HydrophobicContact CZ-CE2 4.24Å; F1561-F1574 AromaticContact CZ-CG 3.85Å; F1561-F1574 HydrophobicContact CZ-CG 3.85Å; F1571-F1574 WeakPolarHBondContact O-CB 3.09Å; F1571-F1574 PolarHBondContact O-N 3.2Å; F1574-D1576 PolarHBondContact O-N 2.94Å; F1574-D1586 HydrophobicContact CD2-CB 4.14Å |
| 1575 | C | 69.6 | Low | 71.8 | Confident | 48 Ų | 48 | 62.2 Ų | 62.2 | 32% | 0.324 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 35 | 179.6 | -71.7 | 0 | 0 | 0 | 0 | 110.5 | G1577 D1586 E1587 C1592 | C1575-G1577 PolarHBondContact O-N 2.65Å; C1575-D1586 PolarHBondContact N-O 3.23Å; C1575-D1586 VanDerWaalsContact N-O 3.08Å; C1575-E1587 WeakPolarHBondContact CA-OE2 3.08Å; C1575-C1592 HydrophobicContact CB-CB 4.39Å; C1575-C1592 WeakPolarHBondContact CB-SG 2.7Å; C1575-C1592 WeakPolarHBondContact SG-CA 3.39Å; C1575-C1592 WeakPolarHBondContact SG-CB 3.49Å; C1575-C1592 CovalentContact SG-SG 1.58Å; C1575-C1592 PolarHBondContact SG-SG 3.02Å |
| 1576 | D | 64.3 | Low | 71.7 | Confident | 70 Ų | 70 | 58.9 Ų | 58.9 | 37% | 0.374 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -95.7 | 0 | -178 | 63.5 | -16.1 | 0 | 0 | 0 | 110.2 | F1574 K1578 D1580 E1587 | F1574-D1576 PolarHBondContact O-N 2.94Å; D1576-K1578 PolarHBondContact O-N 2.7Å; D1576-K1578 PolarHBondContact OD1-N 2.87Å; D1576-K1578 VanDerWaalsContact OD1-N 3.16Å; D1576-D1580 VanDerWaalsContact OD2-OD2 3.1Å; D1576-E1587 PolarHBondContact N-OE1 2.8Å |
| 1577 | G | 62.1 | Low | 71.9 | Confident | 70 Ų | 70 | 59.6 Ų | 59.6 | 72% | 0.722 | 34% | 0.335 | S | S | * | . | S | Bend | 0 | -6 | 0 | 0 | 0 | 0 | 0 | 0 | 112 | C1575 E1587 | C1575-G1577 PolarHBondContact O-N 2.65Å; G1577-E1587 VanDerWaalsContact CA-OE2 3.29Å; G1577-E1587 WeakPolarHBondContact CA-OE2 3.38Å; G1577-E1587 PolarHBondContact N-OE1 3.38Å; G1577-E1587 PolarHBondContact N-OE2 3.01Å | |
| 1578 | K | 61 | Low | 71.4 | Confident | 147 Ų | 147 | 54 Ų | 54 | 64% | 0.639 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -119.4 | 0 | 179.3 | -163.7 | 179.1 | 174.6 | -179.1 | 0 | 109.9 | D1576 D1580 E1587 | D1576-K1578 PolarHBondContact O-N 2.7Å; D1576-K1578 PolarHBondContact OD1-N 2.87Å; D1576-K1578 VanDerWaalsContact OD1-N 3.16Å; K1578-D1580 PolarHBondContact O-N 3.5Å; K1578-D1580 VanDerWaalsContact O-OD2 3.07Å; K1578-E1587 PolarHBondContact N-OE1 2.67Å; K1578-E1587 VanDerWaalsContact N-OE1 3.12Å; K1578-E1587 VanDerWaalsContact O-CD 3.31Å; K1578-E1587 VanDerWaalsContact O-CG 3.32Å; K1578-E1587 WeakPolarHBondContact O-CG 3.28Å |
| 1579 | S | 74.7 | Confident | 70.3 | Confident | 63 Ų | 63 | 59 Ų | 59 | 44% | 0.441 | 34% | 0.339 | S | S | . | . | 0 | 96.8 | 0 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | C1581 S1584 | S1579-C1581 PolarHBondContact OG-O 2.41Å; S1579-C1581 VanDerWaalsContact OG-O 3.1Å; S1579-S1584 WeakPolarHBondContact CB-OG 3.38Å; S1579-S1584 WeakPolarHBondContact OG-CA 3.23Å; S1579-S1584 WeakPolarHBondContact OG-CB 3.46Å; S1579-S1584 PolarHBondContact OG-OG 3.11Å | |||
| 1580 | D | 75.2 | Confident | 69.6 | Low | 47 Ų | 47 | 62.7 Ų | 62.7 | 25% | 0.251 | 35% | 0.35 | S | S | . | . | trans | -96.4 | 0 | -177 | -64 | -58.6 | 0 | 0 | 0 | 110.2 | L1569 L1573 D1576 K1578 D1586 | L1569-D1580 HydrophobicContact CD1-CB 3.69Å; L1569-D1580 WeakPolarHBondContact CD1-O 3.42Å; L1573-D1580 HydrophobicContact CB-CB 4.26Å; D1576-D1580 VanDerWaalsContact OD2-OD2 3.1Å; K1578-D1580 PolarHBondContact O-N 3.5Å; K1578-D1580 VanDerWaalsContact O-OD2 3.07Å; D1580-D1586 WeakPolarHBondContact CB-OD2 3.08Å; D1580-D1586 PolarHBondContact N-OD1 2.75Å; D1580-D1586 PolarHBondContact N-OD2 3.38Å | ||
| 1581 | C | 75.1 | Confident | 69.3 | Low | 4 Ų | 4 | 61.3 Ų | 61.3 | 3% | 0.027 | 34% | 0.339 | C | S | . | . | S | Bend | 0 | 0 | 0 | -81.4 | 0 | 0 | 0 | 0 | 109.4 | C1563 L1569 S1579 D1583 S1584 D1586 | C1563-C1581 HydrophobicContact CB-CB 3.81Å; C1563-C1581 WeakPolarHBondContact CB-SG 3.49Å; C1563-C1581 WeakPolarHBondContact SG-CB 3.42Å; C1563-C1581 CovalentContact SG-SG 1.4Å; C1563-C1581 PolarHBondContact SG-SG 3.49Å; L1569-C1581 VanDerWaalsContact CD1-SG 3.58Å; S1579-C1581 PolarHBondContact OG-O 2.41Å; S1579-C1581 VanDerWaalsContact OG-O 3.1Å; C1581-D1583 WeakPolarHBondContact CB-OD1 3.46Å; C1581-D1583 PolarHBondContact O-N 2.54Å; C1581-S1584 WeakPolarHBondContact O-CA 3.39Å; C1581-S1584 PolarHBondContact O-N 3.06Å; C1581-D1586 HydrophobicContact CB-CB 4.34Å; C1581-D1586 PolarHBondContact N-OD1 3.48Å; C1581-D1586 VanDerWaalsContact N-OD1 3.17Å | |
| 1582 | S | 71.9 | Confident | 69 | Low | 75 Ų | 75 | 58.4 Ų | 58.4 | 52% | 0.524 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -47.4 | 0 | 0 | 0 | 0 | 111.3 | D1565 R1567 S1584 | D1565-S1582 WeakPolarHBondContact OD2-CB 3.44Å; R1567-S1582 PolarHBondContact NH1-OG 3.09Å; S1582-S1584 VanDerWaalsContact C-N 3.34Å | |
| 1583 | D | 71.1 | Confident | 68 | Low | 61 Ų | 61 | 54 Ų | 54 | 33% | 0.326 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 14.3 | 0 | 65.2 | -15 | 0 | 0 | 0 | 110.4 | M1564 D1565 C1581 S1585 | M1564-D1583 WeakPolarHBondContact CA-OD2 3.33Å; M1564-D1583 WeakPolarHBondContact CB-OD2 3.26Å; D1565-D1583 PolarHBondContact N-OD2 3.31Å; C1581-D1583 WeakPolarHBondContact CB-OD1 3.46Å; C1581-D1583 PolarHBondContact O-N 2.54Å; D1583-S1585 PolarHBondContact O-N 2.77Å; D1583-S1585 WeakPolarHBondContact OD1-CB 3.49Å; D1583-S1585 PolarHBondContact OD1-N 3.06Å; D1583-S1585 PolarHBondContact OD1-OG 3.44Å; D1583-S1585 WeakPolarHBondContact OD2-CB 3.15Å; D1583-S1585 PolarHBondContact OD2-OG 2.8Å | |
| 1584 | S | 69.3 | Low | 66.8 | Low | 57 Ų | 57 | 53.7 Ų | 53.7 | 40% | 0.399 | 31% | 0.309 | S | S | . | . | trans | 53.9 | 27.7 | -179.3 | -83.3 | 0 | 0 | 0 | 0 | 111.8 | S1579 C1581 S1582 D1586 E1587 | S1579-S1584 WeakPolarHBondContact CB-OG 3.38Å; S1579-S1584 WeakPolarHBondContact OG-CA 3.23Å; S1579-S1584 WeakPolarHBondContact OG-CB 3.46Å; S1579-S1584 PolarHBondContact OG-OG 3.11Å; C1581-S1584 WeakPolarHBondContact O-CA 3.39Å; C1581-S1584 PolarHBondContact O-N 3.06Å; S1582-S1584 VanDerWaalsContact C-N 3.34Å; S1584-D1586 PolarHBondContact O-N 2.73Å; S1584-E1587 PolarHBondContact O-N 2.88Å | ||
| 1585 | S | 71.4 | Confident | 65.6 | Low | 4 Ų | 4 | 56.7 Ų | 56.7 | 3% | 0.028 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -65.2 | -30.6 | -179 | -65.8 | 0 | 0 | 0 | 0 | 111 | M1564 D1583 E1587 S1588 | M1564-S1585 WeakPolarHBondContact CB-OG 3.23Å; M1564-S1585 PolarHBondContact N-OG 2.87Å; D1583-S1585 PolarHBondContact O-N 2.77Å; D1583-S1585 WeakPolarHBondContact OD1-CB 3.49Å; D1583-S1585 PolarHBondContact OD1-N 3.06Å; D1583-S1585 PolarHBondContact OD1-OG 3.44Å; D1583-S1585 WeakPolarHBondContact OD2-CB 3.15Å; D1583-S1585 PolarHBondContact OD2-OG 2.8Å; S1585-E1587 PolarHBondContact O-N 3.47Å; S1585-S1588 WeakPolarHBondContact O-CB 3.28Å; S1585-S1588 PolarHBondContact O-N 3.19Å |
| 1586 | D | 74.1 | Confident | 65.1 | Low | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -67.9 | -11.4 | -178.1 | 65.1 | -41.5 | 0 | 0 | 0 | 110.7 | F1561 L1573 F1574 C1575 D1580 C1581 S1584 | F1561-D1586 HydrophobicContact CE2-CB 4.04Å; F1561-D1586 HydrophobicContact CZ-CB 3.61Å; L1573-D1586 VanDerWaalsContact O-OD2 3.13Å; F1574-D1586 HydrophobicContact CD2-CB 4.14Å; C1575-D1586 PolarHBondContact N-O 3.23Å; C1575-D1586 VanDerWaalsContact N-O 3.08Å; D1580-D1586 WeakPolarHBondContact CB-OD2 3.08Å; D1580-D1586 PolarHBondContact N-OD1 2.75Å; D1580-D1586 PolarHBondContact N-OD2 3.38Å; C1581-D1586 HydrophobicContact CB-CB 4.34Å; C1581-D1586 PolarHBondContact N-OD1 3.48Å; C1581-D1586 VanDerWaalsContact N-OD1 3.17Å; S1584-D1586 PolarHBondContact O-N 2.73Å |
| 1587 | E | 73.2 | Confident | 65.5 | Low | 50 Ų | 50 | 59.4 Ų | 59.4 | 23% | 0.234 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -120.5 | 0 | -179.8 | -59.4 | -67.9 | 159.6 | 0 | 0 | 110.2 | C1575 D1576 G1577 K1578 S1584 S1585 E1589 | C1575-E1587 WeakPolarHBondContact CA-OE2 3.08Å; D1576-E1587 PolarHBondContact N-OE1 2.8Å; G1577-E1587 VanDerWaalsContact CA-OE2 3.29Å; G1577-E1587 WeakPolarHBondContact CA-OE2 3.38Å; G1577-E1587 PolarHBondContact N-OE1 3.38Å; G1577-E1587 PolarHBondContact N-OE2 3.01Å; K1578-E1587 PolarHBondContact N-OE1 2.67Å; K1578-E1587 VanDerWaalsContact N-OE1 3.12Å; K1578-E1587 VanDerWaalsContact O-CD 3.31Å; K1578-E1587 VanDerWaalsContact O-CG 3.32Å; K1578-E1587 WeakPolarHBondContact O-CG 3.28Å; S1584-E1587 PolarHBondContact O-N 2.88Å; S1585-E1587 PolarHBondContact O-N 3.47Å; E1587-E1589 PolarHBondContact O-N 3.2Å; E1587-E1589 VanDerWaalsContact O-N 3.15Å |
| 1588 | S | 69.5 | Low | 66 | Low | 39 Ų | 39 | 56.4 Ų | 56.4 | 27% | 0.273 | 29% | 0.292 | S | S | . | . | 0 | 112.4 | 0 | 171.8 | 0 | 0 | 0 | 0 | 110.4 | S1585 R1590 Y1591 C1592 | S1585-S1588 WeakPolarHBondContact O-CB 3.28Å; S1585-S1588 PolarHBondContact O-N 3.19Å; S1588-R1590 PolarHBondContact O-N 2.67Å; S1588-R1590 WeakPolarHBondContact OG-CB 3.19Å; S1588-R1590 PolarHBondContact OG-N 2.56Å; S1588-Y1591 PolarHBondContact O-N 2.85Å; S1588-Y1591 VanDerWaalsContact O-N 3.14Å; S1588-C1592 WeakPolarHBondContact O-CB 3Å; S1588-C1592 PolarHBondContact O-N 3.41Å | |||
| 1589 | E | 58.4 | Low | 66.4 | Low | 150 Ų | 150 | 52.2 Ų | 52.2 | 70% | 0.701 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.6 | -21.1 | 179.7 | -125.6 | 176.5 | -174.6 | 0 | 0 | 111.5 | E1587 C1592 | E1587-E1589 PolarHBondContact O-N 3.2Å; E1587-E1589 VanDerWaalsContact O-N 3.15Å; E1589-C1592 PolarHBondContact O-N 3.44Å |
| 1590 | R | 61.8 | Low | 65.8 | Low | 114 Ų | 114 | 52.4 Ų | 52.4 | 43% | 0.43 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -36.3 | -173.3 | -166.2 | 173.8 | -76.3 | -121.6 | 1 | 111.3 | Y1525 S1588 C1592 | Y1525-R1590 HydrophobicContact CD2-CG 4.27Å; Y1525-R1590 CovalentContact CE2-NH1 1.84Å; Y1525-R1590 VanDerWaalsContact CG-CD 3.5Å; Y1525-R1590 CovalentContact CZ-NH1 1.72Å; Y1525-R1590 VanDerWaalsContact OH-CZ 3.29Å; Y1525-R1590 PolarHBondContact OH-NH1 3.22Å; Y1525-R1590 PolarHBondContact OH-NH2 3.32Å; S1588-R1590 PolarHBondContact O-N 2.67Å; S1588-R1590 WeakPolarHBondContact OG-CB 3.19Å; S1588-R1590 PolarHBondContact OG-N 2.56Å; R1590-C1592 VanDerWaalsContact C-N 3.34Å |
| 1591 | Y | 65.6 | Low | 65.8 | Low | 21 Ų | 21 | 51.8 Ų | 51.8 | 8% | 0.082 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 0 | 177 | -57.6 | -68.6 | 0 | 0 | 0 | 110.2 | Y1477 Y1525 T1528 M1564 S1588 A1593 | Y1477-Y1591 HydrophobicContact CD1-CD1 4.25Å; Y1477-Y1591 HydrophobicContact CD1-CD2 4.2Å; Y1477-Y1591 AromaticContact CD1-CE1 3.63Å; Y1477-Y1591 HydrophobicContact CD1-CE1 3.63Å; Y1477-Y1591 AromaticContact CD1-CE2 3.57Å; Y1477-Y1591 HydrophobicContact CD1-CE2 3.57Å; Y1477-Y1591 AromaticContact CD1-CZ 3.23Å; Y1477-Y1591 WeakPolarHBondContact CD1-OH 3.14Å; Y1477-Y1591 HydrophobicContact CE1-CD1 4.28Å; Y1477-Y1591 AromaticContact CE1-CD2 3.9Å; Y1477-Y1591 HydrophobicContact CE1-CD2 3.9Å; Y1477-Y1591 HydrophobicContact CE1-CE1 4.1Å; Y1477-Y1591 AromaticContact CE1-CE2 3.7Å; Y1477-Y1591 HydrophobicContact CE1-CE2 3.7Å; Y1477-Y1591 HydrophobicContact CE1-CG 4.18Å; Y1477-Y1591 AromaticContact CE1-CZ 3.79Å; Y1525-Y1591 PolarHBondContact O-OH 2.38Å; Y1525-Y1591 VanDerWaalsContact O-OH 3.11Å; T1528-Y1591 HydrophobicContact CG2-CD1 3.59Å; T1528-Y1591 HydrophobicContact CG2-CE1 4.24Å; T1528-Y1591 HydrophobicContact CG2-CG 3.81Å; M1564-Y1591 HydrophobicContact CE-CE2 3.79Å; M1564-Y1591 WeakPolarHBondContact CE-OH 2.9Å; S1588-Y1591 PolarHBondContact O-N 2.85Å; S1588-Y1591 VanDerWaalsContact O-N 3.14Å; Y1591-A1593 VanDerWaalsContact C-N 3.27Å; Y1591-A1593 PolarHBondContact O-N 3.1Å |
| 1592 | C | 63.3 | Low | 65.6 | Low | 17 Ų | 17 | 55.1 Ų | 55.1 | 12% | 0.115 | 31% | 0.306 | C | S | . | . | 0 | 0 | 0 | -92.5 | 0 | 0 | 0 | 0 | 109.5 | C1575 S1588 E1589 R1590 V1594 | C1575-C1592 HydrophobicContact CB-CB 4.39Å; C1575-C1592 WeakPolarHBondContact CB-SG 2.7Å; C1575-C1592 WeakPolarHBondContact SG-CA 3.39Å; C1575-C1592 WeakPolarHBondContact SG-CB 3.49Å; C1575-C1592 CovalentContact SG-SG 1.58Å; C1575-C1592 PolarHBondContact SG-SG 3.02Å; S1588-C1592 WeakPolarHBondContact O-CB 3Å; S1588-C1592 PolarHBondContact O-N 3.41Å; E1589-C1592 PolarHBondContact O-N 3.44Å; R1590-C1592 VanDerWaalsContact C-N 3.34Å; C1592-V1594 PolarHBondContact O-N 3.49Å; C1592-V1594 VanDerWaalsContact O-N 3.13Å | |||
| 1593 | A | 48.3 | Very low | 65.9 | Low | 34 Ų | 34 | 52.4 Ų | 52.4 | 28% | 0.281 | 29% | 0.286 | S | S | . | . | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111 | P1507 R1508 Y1591 | P1507-A1593 HydrophobicContact CG-CB 4.27Å; R1508-A1593 HydrophobicContact CG-CB 4.11Å; Y1591-A1593 VanDerWaalsContact C-N 3.27Å; Y1591-A1593 PolarHBondContact O-N 3.1Å | |||
| 1594 | V | 50.1 | Low | 66.2 | Low | 41 Ų | 41 | 57.5 Ų | 57.5 | 25% | 0.248 | 30% | 0.301 | C | S | . | . | 0 | 93.4 | 0 | -177.1 | 0 | 0 | 0 | 0 | 107.9 | C1592 I1596 I1619 I1673 | C1592-V1594 PolarHBondContact O-N 3.49Å; C1592-V1594 VanDerWaalsContact O-N 3.13Å; V1594-I1596 PolarHBondContact O-N 2.48Å; V1594-I1619 HydrophobicContact CG1-CD1 3.63Å; V1594-I1619 HydrophobicContact CG1-CG1 4.43Å; V1594-I1673 HydrophobicContact CB-CD1 3.45Å; V1594-I1673 VanDerWaalsContact CB-CD1 3.45Å; V1594-I1673 HydrophobicContact CB-CG1 4.14Å; V1594-I1673 HydrophobicContact CB-CG2 3.97Å; V1594-I1673 HydrophobicContact CG1-CB 4.05Å; V1594-I1673 HydrophobicContact CG1-CD1 2.9Å; V1594-I1673 HydrophobicContact CG1-CG1 3.8Å; V1594-I1673 HydrophobicContact CG1-CG2 3.27Å; V1594-I1673 HydrophobicContact CG2-CD1 3.38Å; V1594-I1673 HydrophobicContact CG2-CG1 4.32Å | |||
| 1595 | N | 47.2 | Very low | 66.4 | Low | 78 Ų | 78 | 55.3 Ų | 55.3 | 42% | 0.417 | 29% | 0.285 | S | S | . | . | trans | -94.6 | 91 | -169.5 | -114.1 | -13.1 | 0 | 0 | 0 | 110.8 | S1618 | N1595-S1618 PolarHBondContact O-N 3.26Š| ||
| 1596 | I | 59.1 | Low | 66.6 | Low | 7 Ų | 7 | 59.4 Ų | 59.4 | 4% | 0.036 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 105.6 | 163.6 | -66.9 | 169.1 | 0 | 0 | 0 | 109.1 | V1594 V1598 S1616 C1667 V1669 I1673 K1675 | V1594-I1596 PolarHBondContact O-N 2.48Å; I1596-V1598 HydrophobicContact CG2-CG2 3.92Å; I1596-S1616 CarbonylContact C-O 3.4Å; I1596-S1616 WeakPolarHBondContact CA-O 3.48Å; I1596-C1667 HydrophobicContact CG2-CB 3.82Å; I1596-C1667 WeakPolarHBondContact CG2-SG 3.29Å; I1596-V1669 HydrophobicContact CD1-CB 3.99Å; I1596-V1669 HydrophobicContact CD1-CG2 3.49Å; I1596-V1669 VanDerWaalsContact CD1-CG2 3.49Å; I1596-V1669 HydrophobicContact CG1-CB 4.27Å; I1596-V1669 HydrophobicContact CG1-CG2 3.36Å; I1596-I1673 HydrophobicContact CD1-CB 3.71Å; I1596-I1673 HydrophobicContact CD1-CG2 2.76Å; I1596-I1673 WeakPolarHBondContact CD1-O 3.25Å; I1596-I1673 HydrophobicContact CG1-CG2 3.42Å; I1596-I1673 VanDerWaalsContact CG1-CG2 3.42Å; I1596-K1675 HydrophobicContact CB-CB 4.06Å; I1596-K1675 HydrophobicContact CB-CD 4.26Å; I1596-K1675 HydrophobicContact CG2-CB 3.54Å; I1596-K1675 HydrophobicContact CG2-CD 4.09Å; I1596-K1675 WeakPolarHBondContact O-CD 3.19Å; I1596-K1675 PolarHBondContact O-NZ 2.68Å |
| 1597 | R | 72.4 | Confident | 66.2 | Low | 168 Ų | 168 | 61.7 Ų | 61.7 | 63% | 0.634 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 0 | 176.1 | -158.1 | 177.7 | -176.6 | -179.7 | -0.4 | 110.8 | C1615 S1616 | R1597-C1615 CarbonylContact O-C 3.59Å; R1597-C1615 WeakPolarHBondContact O-CA 3.21Å; R1597-S1616 VanDerWaalsContact CB-OG 3.27Å; R1597-S1616 WeakPolarHBondContact CB-OG 3.21Å; R1597-S1616 PolarHBondContact N-O 3.45Å; R1597-S1616 PolarHBondContact O-N 2.88Å; R1597-S1616 PolarHBondContact O-OG 3.01Å |
| 1598 | V | 73.4 | Confident | 65.6 | Low | 8 Ų | 8 | 64.4 Ų | 64.4 | 5% | 0.048 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 115.4 | 0 | -176.9 | 0 | 0 | 0 | 0 | 108.1 | I1596 F1613 E1614 C1667 K1675 V1677 | I1596-V1598 HydrophobicContact CG2-CG2 3.92Å; V1598-F1613 HydrophobicContact CG1-CD2 4.1Å; V1598-E1614 CarbonylContact C-O 3.27Å; V1598-E1614 WeakPolarHBondContact CA-O 3.01Å; V1598-C1667 HydrophobicContact CG2-CB 3.89Å; V1598-K1675 HydrophobicContact CB-CD 4.19Å; V1598-K1675 HydrophobicContact CG2-CB 3.68Å; V1598-K1675 HydrophobicContact CG2-CD 3.62Å; V1598-K1675 HydrophobicContact CG2-CG 3.85Å; V1598-V1677 HydrophobicContact CB-CG2 3.87Å; V1598-V1677 HydrophobicContact CG1-CB 4.03Å; V1598-V1677 HydrophobicContact CG1-CG1 4.37Å; V1598-V1677 HydrophobicContact CG1-CG2 2.65Å; V1598-V1677 HydrophobicContact CG2-CG2 4.19Å | |
| 1599 | T | 68.9 | Low | 66.1 | Low | 58 Ų | 58 | 66.9 Ų | 66.9 | 36% | 0.356 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 122.5 | -179.8 | 33.2 | 0 | 0 | 0 | 0 | 109.2 | F1613 E1614 | T1599-F1613 CarbonylContact O-C 3.36Å; T1599-F1613 WeakPolarHBondContact O-CA 3.48Å; T1599-E1614 PolarHBondContact N-O 3.02Å; T1599-E1614 PolarHBondContact O-N 2.96Å |
| 1600 | P | 63.2 | Low | 67.1 | Low | 68 Ų | 68 | 67.6 Ų | 67.6 | 44% | 0.442 | 34% | 0.34 | S | S | . | . | S | Bend | cis | -85.6 | 0 | -9 | 21.5 | -19.2 | 0 | 0 | 0 | 111.6 | S1602 I1603 | P1600-S1602 VanDerWaalsContact C-N 3.33Å; P1600-I1603 HydrophobicContact CB-CG1 4.49Å; P1600-I1603 HydrophobicContact CG-CD1 4.1Å; P1600-I1603 HydrophobicContact CG-CG1 3.82Å |
| 1601 | G | 74.2 | Confident | 68.4 | Low | 34 Ų | 34 | 62.6 Ų | 62.6 | 35% | 0.351 | 32% | 0.322 | S | S | . | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1677 D1678 | G1601-V1677 CarbonylContact O-C 3.51Å; G1601-V1677 WeakPolarHBondContact O-CA 3.49Å; G1601-D1678 PolarHBondContact O-N 3.07Å | |
| 1602 | S | 71.5 | Confident | 69.4 | Low | 73 Ų | 73 | 66.1 Ų | 66.1 | 51% | 0.51 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 128.1 | 0 | 166.1 | 0 | 0 | 0 | 0 | 109.8 | P1600 D1678 | P1600-S1602 VanDerWaalsContact C-N 3.33Å; S1602-D1678 CarbonylContact C-O 3.51Å; S1602-D1678 VanDerWaalsContact C-O 3.32Å; S1602-D1678 WeakPolarHBondContact CA-O 3.5Å | |
| 1603 | I | 78.3 | Confident | 70.6 | Confident | 18 Ų | 18 | 65.5 Ų | 65.5 | 9% | 0.092 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 119.8 | -173.9 | -62.8 | 169.3 | 0 | 0 | 0 | 107.8 | P1600 V1605 F1611 Q1612 F1613 V1677 D1678 V1679 E1680 | P1600-I1603 HydrophobicContact CB-CG1 4.49Å; P1600-I1603 HydrophobicContact CG-CD1 4.1Å; P1600-I1603 HydrophobicContact CG-CG1 3.82Å; I1603-V1605 HydrophobicContact CG2-CG1 3.63Å; I1603-F1611 HydrophobicContact CD1-CD2 4.02Å; I1603-F1611 HydrophobicContact CG2-CB 3.69Å; I1603-F1611 HydrophobicContact CG2-CD2 4.41Å; I1603-F1611 HydrophobicContact CG2-CG 4.18Å; I1603-Q1612 WeakPolarHBondContact CD1-O 3.49Å; I1603-F1613 HydrophobicContact CD1-CB 3.81Å; I1603-F1613 HydrophobicContact CD1-CD1 4.1Å; I1603-F1613 HydrophobicContact CD1-CG 4.39Å; I1603-V1677 HydrophobicContact CD1-CG1 4.43Å; I1603-D1678 PolarHBondContact N-O 3.18Å; I1603-V1679 HydrophobicContact CB-CG1 4.45Å; I1603-V1679 HydrophobicContact CB-CG2 4.14Å; I1603-V1679 HydrophobicContact CD1-CG2 4.49Å; I1603-V1679 CarbonylContact O-C 3.31Å; I1603-V1679 WeakPolarHBondContact O-CA 3.35Å; I1603-E1680 PolarHBondContact O-N 3.49Å |
| 1604 | R | 76.9 | Confident | 72.3 | Confident | 168 Ų | 168 | 67.4 Ų | 67.4 | 63% | 0.634 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 113.9 | 176.7 | -73.3 | -177.2 | 150.5 | -165.7 | -1.7 | 109.8 | E1680 I1682 | R1604-E1680 CarbonylContact C-O 3.38Å; R1604-E1680 WeakPolarHBondContact CA-O 3.16Å; R1604-E1680 HydrophobicContact CG-CB 3.95Å; R1604-E1680 IonicContact CZ-OE2 2.8Å; R1604-E1680 IonicContact NE-OE2 3.54Å; R1604-E1680 PolarHBondContact NE-OE2 3.15Å; R1604-E1680 IonicContact NH2-OE1 3.76Å; R1604-E1680 IonicContact NH2-OE2 3.74Å; R1604-E1680 PolarHBondContact NH2-OE2 2.36Å; R1604-I1682 HydrophobicContact CB-CD1 4.06Å |
| 1605 | V | 74.8 | Confident | 73.9 | Confident | 11 Ų | 11 | 65.4 Ų | 65.4 | 7% | 0.067 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 148.2 | -177.2 | -72.1 | 0 | 0 | 0 | 0 | 108.3 | I1603 Q1609 F1611 V1679 E1680 I1681 I1682 | I1603-V1605 HydrophobicContact CG2-CG1 3.63Å; V1605-Q1609 HydrophobicContact CB-CB 4.01Å; V1605-Q1609 HydrophobicContact CB-CG 4.4Å; V1605-Q1609 HydrophobicContact CG1-CG 4.49Å; V1605-F1611 HydrophobicContact CG1-CB 4.03Å; V1605-F1611 HydrophobicContact CG2-CD1 3.91Å; V1605-F1611 HydrophobicContact CG2-CE1 4.46Å; V1605-V1679 HydrophobicContact CG2-CG1 4.05Å; V1605-E1680 PolarHBondContact N-O 2.99Å; V1605-I1681 HydrophobicContact CG2-CG1 4.46Å; V1605-I1681 WeakPolarHBondContact O-CA 3.46Å; V1605-I1682 PolarHBondContact O-N 2.97Å |
| 1606 | I | 73.9 | Confident | 75.2 | Confident | 90 Ų | 90 | 62.7 Ų | 62.7 | 46% | 0.462 | 31% | 0.312 | S | S | . | . | trans | -76.3 | 0 | 173.8 | 51 | 172.4 | 0 | 0 | 0 | 109.6 | N1608 Q1609 | I1606-N1608 PolarHBondContact O-N 2.93Å; I1606-Q1609 HydrophobicContact CG1-CB 4Å; I1606-Q1609 VanDerWaalsContact O-CB 3.24Å; I1606-Q1609 WeakPolarHBondContact O-CB 3.49Å; I1606-Q1609 PolarHBondContact O-N 2.89Å; I1606-Q1609 VanDerWaalsContact O-N 3.16Å | ||
| 1607 | P | 66.1 | Low | 75.6 | Confident | 49 Ų | 49 | 62.7 Ų | 62.7 | 32% | 0.318 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -21.1 | 27.7 | 0 | 0 | 0 | 112.2 | Q1609 I1657 I1660 I1681 I1682 | P1607-Q1609 VanDerWaalsContact C-N 3.35Å; P1607-Q1609 PolarHBondContact O-N 3.25Å; P1607-I1657 WeakPolarHBondContact CA-O 3.47Å; P1607-I1660 HydrophobicContact CG-CD1 4.46Å; P1607-I1660 HydrophobicContact CG-CG1 3.88Å; P1607-I1681 HydrophobicContact CB-CG2 4.05Å; P1607-I1681 HydrophobicContact CG-CG2 3.7Å; P1607-I1682 WeakPolarHBondContact CD-O 3.17Å | |
| 1608 | N | 61.3 | Low | 75 | Confident | 107 Ų | 107 | 58.4 Ų | 58.4 | 57% | 0.572 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 17.3 | 0 | -69.9 | -32.8 | 0 | 0 | 0 | 110.5 | I1606 T1655 I1657 | I1606-N1608 PolarHBondContact O-N 2.93Å; N1608-T1655 CarbonylContact C-O 3.55Å; N1608-T1655 WeakPolarHBondContact CA-O 3.24Å; N1608-I1657 PolarHBondContact N-O 2.82Å | |
| 1609 | Q | 79.1 | Confident | 74.2 | Confident | 90 Ų | 90 | 60.3 Ų | 60.3 | 42% | 0.421 | 32% | 0.318 | S | S | . | . | trans | -89.5 | 136.4 | 171.5 | -170.5 | 176 | -10.1 | 0 | 0 | 110.3 | V1605 I1606 P1607 G1656 | V1605-Q1609 HydrophobicContact CB-CB 4.01Å; V1605-Q1609 HydrophobicContact CB-CG 4.4Å; V1605-Q1609 HydrophobicContact CG1-CG 4.49Å; I1606-Q1609 HydrophobicContact CG1-CB 4Å; I1606-Q1609 VanDerWaalsContact O-CB 3.24Å; I1606-Q1609 WeakPolarHBondContact O-CB 3.49Å; I1606-Q1609 PolarHBondContact O-N 2.89Å; I1606-Q1609 VanDerWaalsContact O-N 3.16Å; P1607-Q1609 VanDerWaalsContact C-N 3.35Å; P1607-Q1609 PolarHBondContact O-N 3.25Å; Q1609-G1656 VanDerWaalsContact C-CA 3.44Å; Q1609-G1656 WeakPolarHBondContact O-CA 3.4Å | ||
| 1610 | R | 80.7 | Confident | 73.3 | Confident | 165 Ų | 165 | 62.6 Ų | 62.6 | 62% | 0.623 | 33% | 0.334 | S | S | * | . | trans | -63.2 | 138.9 | -178.7 | 141.7 | 179.5 | -176.7 | -178.5 | 1.5 | 110.6 | A1653 P1654 | R1610-A1653 WeakPolarHBondContact CA-O 3.21Å; R1610-P1654 VanDerWaalsContact CB-O 3.27Å; R1610-P1654 WeakPolarHBondContact CB-O 3.09Å | ||
| 1611 | F | 87.6 | Confident | 73 | Confident | 10 Ų | 10 | 62.5 Ų | 62.5 | 4% | 0.044 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 0 | 170.5 | 64.5 | -91.7 | 0 | 0 | 0 | 109.1 | I1603 V1605 F1639 A1653 I1657 F1665 V1679 | I1603-F1611 HydrophobicContact CD1-CD2 4.02Å; I1603-F1611 HydrophobicContact CG2-CB 3.69Å; I1603-F1611 HydrophobicContact CG2-CD2 4.41Å; I1603-F1611 HydrophobicContact CG2-CG 4.18Å; V1605-F1611 HydrophobicContact CG1-CB 4.03Å; V1605-F1611 HydrophobicContact CG2-CD1 3.91Å; V1605-F1611 HydrophobicContact CG2-CE1 4.46Å; F1611-F1639 HydrophobicContact CE2-CE1 4.47Å; F1611-F1639 AromaticContact CZ-CE1 3.97Å; F1611-F1639 HydrophobicContact CZ-CE1 3.97Å; F1611-A1653 HydrophobicContact CD1-CB 3.89Å; F1611-A1653 HydrophobicContact CD2-CB 4.32Å; F1611-A1653 HydrophobicContact CE1-CB 3.54Å; F1611-A1653 HydrophobicContact CE2-CB 3.99Å; F1611-A1653 HydrophobicContact CG-CB 4.27Å; F1611-A1653 HydrophobicContact CZ-CB 3.59Å; F1611-A1653 PolarHBondContact N-O 2.57Å; F1611-A1653 VanDerWaalsContact N-O 3.15Å; F1611-A1653 PolarHBondContact O-N 2.9Å; F1611-I1657 HydrophobicContact CE1-CB 4.5Å; F1611-I1657 HydrophobicContact CE1-CD1 3.65Å; F1611-I1657 HydrophobicContact CE1-CG1 3.68Å; F1611-I1657 HydrophobicContact CZ-CD1 3.33Å; F1611-I1657 HydrophobicContact CZ-CG1 3.85Å; F1611-F1665 HydrophobicContact CE2-CE2 4.18Å; F1611-F1665 HydrophobicContact CE2-CZ 4.22Å; F1611-F1665 HydrophobicContact CZ-CE2 4.2Å; F1611-F1665 HydrophobicContact CZ-CZ 4.11Å; F1611-V1679 HydrophobicContact CE1-CG1 4.21Å; F1611-V1679 HydrophobicContact CE2-CG1 4.28Å; F1611-V1679 HydrophobicContact CE2-CG2 4.08Å; F1611-V1679 HydrophobicContact CZ-CG1 4.08Å |
| 1612 | Q | 87.2 | Confident | 72.1 | Confident | 95 Ų | 95 | 63.1 Ų | 63.1 | 44% | 0.444 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 153.3 | 0 | 68.6 | 177.7 | -5.3 | 0 | 0 | 109.7 | I1603 V1651 T1652 | I1603-Q1612 WeakPolarHBondContact CD1-O 3.49Å; Q1612-V1651 CarbonylContact C-O 3.56Å; Q1612-V1651 WeakPolarHBondContact CA-O 3.36Å; Q1612-V1651 WeakPolarHBondContact CB-O 3.42Å; Q1612-T1652 HydrophobicContact CB-CG2 3.96Å; Q1612-T1652 PolarHBondContact OE1-OG1 2.74Å | |
| 1613 | F | 89.5 | Confident | 72 | Confident | 3 Ų | 3 | 61.5 Ų | 61.5 | 1% | 0.013 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 153.5 | 174.3 | 62.3 | -88.4 | 0 | 0 | 0 | 109.4 | V1598 T1599 I1603 V1626 V1651 F1665 V1677 | V1598-F1613 HydrophobicContact CG1-CD2 4.1Å; T1599-F1613 CarbonylContact O-C 3.36Å; T1599-F1613 WeakPolarHBondContact O-CA 3.48Å; I1603-F1613 HydrophobicContact CD1-CB 3.81Å; I1603-F1613 HydrophobicContact CD1-CD1 4.1Å; I1603-F1613 HydrophobicContact CD1-CG 4.39Å; F1613-V1626 HydrophobicContact CE2-CG1 3.98Å; F1613-V1626 HydrophobicContact CZ-CG1 3.78Å; F1613-V1651 HydrophobicContact CD1-CB 4.34Å; F1613-V1651 HydrophobicContact CE1-CB 3.83Å; F1613-V1651 HydrophobicContact CE1-CG1 3.97Å; F1613-V1651 HydrophobicContact CE2-CB 4.1Å; F1613-V1651 HydrophobicContact CE2-CG2 4.11Å; F1613-V1651 HydrophobicContact CZ-CB 3.69Å; F1613-V1651 HydrophobicContact CZ-CG1 4.04Å; F1613-V1651 HydrophobicContact CZ-CG2 3.97Å; F1613-V1651 PolarHBondContact N-O 3.47Å; F1613-V1651 PolarHBondContact O-N 2.65Å; F1613-F1665 HydrophobicContact CE1-CB 4.35Å; F1613-F1665 AromaticContact CE1-CD1 3.93Å; F1613-F1665 HydrophobicContact CE1-CD1 3.93Å; F1613-F1665 HydrophobicContact CE1-CD2 4.28Å; F1613-F1665 HydrophobicContact CE1-CE1 4.26Å; F1613-F1665 AromaticContact CE1-CG 3.94Å; F1613-F1665 HydrophobicContact CE1-CG 3.94Å; F1613-F1665 HydrophobicContact CE2-CB 4.5Å; F1613-F1665 HydrophobicContact CZ-CB 3.83Å; F1613-F1665 AromaticContact CZ-CD1 3.7Å; F1613-F1665 HydrophobicContact CZ-CD1 3.7Å; F1613-F1665 HydrophobicContact CZ-CE1 4.4Å; F1613-F1665 AromaticContact CZ-CG 3.79Å; F1613-F1665 HydrophobicContact CZ-CG 3.79Å; F1613-V1677 HydrophobicContact CB-CG1 4.4Å; F1613-V1677 HydrophobicContact CD1-CG1 4.17Å; F1613-V1677 HydrophobicContact CD2-CB 4.43Å; F1613-V1677 HydrophobicContact CD2-CG1 4.29Å; F1613-V1677 HydrophobicContact CD2-CG2 3.8Å; F1613-V1677 HydrophobicContact CE2-CB 4.4Å; F1613-V1677 HydrophobicContact CE2-CG2 3.87Å; F1613-V1677 HydrophobicContact CG-CG1 4.04Å; F1613-V1677 HydrophobicContact CG-CG2 4.4Å |
| 1614 | E | 82.6 | Confident | 71.9 | Confident | 74 Ų | 74 | 60.7 Ų | 60.7 | 35% | 0.346 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 0 | -176.4 | 177.4 | -178 | 174.6 | 0 | 0 | 111 | V1598 T1599 T1648 V1650 | V1598-E1614 CarbonylContact C-O 3.27Å; V1598-E1614 WeakPolarHBondContact CA-O 3.01Å; T1599-E1614 PolarHBondContact N-O 3.02Å; T1599-E1614 PolarHBondContact O-N 2.96Å; E1614-T1648 HydrophobicContact CG-CG2 3.63Å; E1614-T1648 WeakPolarHBondContact OE1-CG2 3.42Å; E1614-V1650 HydrophobicContact CB-CG2 4.25Å; E1614-V1650 HydrophobicContact CG-CG2 3.99Å |
| 1615 | C | 85.2 | Confident | 72.1 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 114.2 | 0 | -156.9 | 0 | 0 | 0 | 0 | 109.6 | R1597 V1626 T1648 I1649 C1667 | R1597-C1615 CarbonylContact O-C 3.59Å; R1597-C1615 WeakPolarHBondContact O-CA 3.21Å; C1615-V1626 HydrophobicContact CB-CG2 4.03Å; C1615-T1648 CarbonylContact O-C 3.07Å; C1615-T1648 VanDerWaalsContact O-CA 3.31Å; C1615-T1648 WeakPolarHBondContact O-CA 3.07Å; C1615-I1649 WeakPolarHBondContact CA-O 3.2Å; C1615-I1649 HydrophobicContact CB-CG2 3.24Å; C1615-I1649 PolarHBondContact N-O 3.16Å; C1615-I1649 PolarHBondContact O-N 3.07Å; C1615-C1667 HydrophobicContact CB-CB 4.16Å; C1615-C1667 WeakPolarHBondContact CB-SG 3.26Å; C1615-C1667 WeakPolarHBondContact SG-CB 3.49Å; C1615-C1667 CovalentContact SG-SG 1.36Å; C1615-C1667 PolarHBondContact SG-SG 1.62Å | |
| 1616 | S | 72.6 | Confident | 72.7 | Confident | 20 Ų | 20 | 54.7 Ų | 54.7 | 14% | 0.14 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 0 | 179.8 | 57.3 | 0 | 0 | 0 | 0 | 111 | I1596 R1597 Q1647 T1648 | I1596-S1616 CarbonylContact C-O 3.4Å; I1596-S1616 WeakPolarHBondContact CA-O 3.48Å; R1597-S1616 VanDerWaalsContact CB-OG 3.27Å; R1597-S1616 WeakPolarHBondContact CB-OG 3.21Å; R1597-S1616 PolarHBondContact N-O 3.45Å; R1597-S1616 PolarHBondContact O-N 2.88Å; R1597-S1616 PolarHBondContact O-OG 3.01Å; S1616-Q1647 CarbonylContact C-O 3.03Å; S1616-Q1647 VanDerWaalsContact CA-O 3.27Å; S1616-Q1647 WeakPolarHBondContact CA-O 3.39Å; S1616-T1648 WeakPolarHBondContact CB-OG1 3.45Å |
| 1617 | T | 68.3 | Low | 73.2 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.043 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 141.8 | 0 | 171.1 | 0 | 0 | 0 | 0 | 109 | I1619 V1622 P1624 Q1647 V1669 | T1617-I1619 PolarHBondContact OG1-N 2.93Å; T1617-I1619 VanDerWaalsContact OG1-N 3.12Å; T1617-V1622 VanDerWaalsContact CG2-O 3.26Å; T1617-V1622 WeakPolarHBondContact CG2-O 3.47Å; T1617-P1624 HydrophobicContact CG2-CB 4.36Å; T1617-P1624 HydrophobicContact CG2-CG 3.75Å; T1617-Q1647 HydrophobicContact CG2-CB 3.94Å; T1617-Q1647 HydrophobicContact CG2-CG 4.42Å; T1617-Q1647 VanDerWaalsContact CG2-O 3.23Å; T1617-Q1647 WeakPolarHBondContact CG2-O 3.2Å; T1617-Q1647 PolarHBondContact N-O 2.97Å; T1617-Q1647 VanDerWaalsContact O-CB 3.31Å; T1617-Q1647 WeakPolarHBondContact O-CB 3.21Å; T1617-V1669 HydrophobicContact CG2-CG2 4.46Å | |
| 1618 | S | 60 | Low | 74 | Confident | 78 Ų | 78 | 49.6 Ų | 49.6 | 55% | 0.545 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -84.3 | 0 | 180 | 52.1 | 0 | 0 | 0 | 0 | 111.1 | N1595 P1620 | N1595-S1618 PolarHBondContact O-N 3.26Å; S1618-P1620 WeakPolarHBondContact O-CD 3.03Å |
| 1619 | I | 56.9 | Low | 74.3 | Confident | 48 Ų | 48 | 49.5 Ų | 49.5 | 25% | 0.246 | 28% | 0.276 | C | S | . | . | S | Bend | 0 | 113.6 | 0 | -59.2 | 169.4 | 0 | 0 | 0 | 108 | V1594 T1617 G1621 V1622 Q1647 V1669 | V1594-I1619 HydrophobicContact CG1-CD1 3.63Å; V1594-I1619 HydrophobicContact CG1-CG1 4.43Å; T1617-I1619 PolarHBondContact OG1-N 2.93Å; T1617-I1619 VanDerWaalsContact OG1-N 3.12Å; I1619-G1621 PolarHBondContact O-N 3.47Å; I1619-V1622 HydrophobicContact CB-CB 3.83Å; I1619-V1622 HydrophobicContact CB-CG2 3.86Å; I1619-V1622 HydrophobicContact CG2-CB 3.66Å; I1619-V1622 HydrophobicContact CG2-CG2 3.05Å; I1619-V1622 PolarHBondContact O-N 2.68Å; I1619-Q1647 VanDerWaalsContact O-CD 3.29Å; I1619-Q1647 VanDerWaalsContact O-CG 3.24Å; I1619-Q1647 WeakPolarHBondContact O-CG 3.1Å; I1619-Q1647 PolarHBondContact O-NE2 3.48Å; I1619-V1669 HydrophobicContact CD1-CG1 3.76Å | |
| 1620 | P | 50.4 | Low | 73.6 | Confident | 107 Ų | 107 | 53 Ų | 53 | 70% | 0.695 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 0 | 179 | -1.7 | 6.8 | 0 | 0 | 0 | 111.6 | S1618 V1622 Q1647 | S1618-P1620 WeakPolarHBondContact O-CD 3.03Å; P1620-V1622 PolarHBondContact O-N 3.18Å; P1620-Q1647 VanDerWaalsContact CB-NE2 3.3Å |
| 1621 | G | 56.7 | Low | 73.1 | Confident | 65 Ų | 65 | 54.6 Ų | 54.6 | 67% | 0.67 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | -5.8 | 0 | 0 | 0 | 0 | 0 | 0 | 111.3 | I1619 | I1619-G1621 PolarHBondContact O-N 3.47Š| |
| 1622 | V | 54.9 | Low | 72.6 | Confident | 47 Ų | 47 | 55.8 Ų | 55.8 | 29% | 0.285 | 31% | 0.307 | S | S | . | . | trans | -102.2 | 0 | -179.9 | 175.4 | 0 | 0 | 0 | 0 | 108.2 | T1617 I1619 P1620 L1646 Q1647 V1669 | T1617-V1622 VanDerWaalsContact CG2-O 3.26Å; T1617-V1622 WeakPolarHBondContact CG2-O 3.47Å; I1619-V1622 HydrophobicContact CB-CB 3.83Å; I1619-V1622 HydrophobicContact CB-CG2 3.86Å; I1619-V1622 HydrophobicContact CG2-CB 3.66Å; I1619-V1622 HydrophobicContact CG2-CG2 3.05Å; I1619-V1622 PolarHBondContact O-N 2.68Å; P1620-V1622 PolarHBondContact O-N 3.18Å; V1622-L1646 CarbonylContact C-O 3.47Å; V1622-L1646 VanDerWaalsContact O-O 3.07Å; V1622-Q1647 WeakPolarHBondContact O-CA 3.11Å; V1622-V1669 HydrophobicContact CB-CG1 4.45Å; V1622-V1669 HydrophobicContact CG1-CG1 3.31Å | ||
| 1623 | S | 68.9 | Low | 72.4 | Confident | 40 Ų | 40 | 51.3 Ų | 51.3 | 28% | 0.28 | 29% | 0.286 | S | S | . | . | 0 | 113.9 | 0 | -175.8 | 0 | 0 | 0 | 0 | 110.2 | R1643 L1646 | S1623-R1643 PolarHBondContact OG-NH1 3.01Å; S1623-L1646 WeakPolarHBondContact CA-O 3.24Å; S1623-L1646 WeakPolarHBondContact CB-O 3.29Å | |||
| 1624 | P | 76.7 | Confident | 71.8 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | trans | -67.9 | 0 | -179.2 | 14.8 | -14.4 | 0 | 0 | 0 | 112 | T1617 R1643 Q1647 V1669 | T1617-P1624 HydrophobicContact CG2-CB 4.36Å; T1617-P1624 HydrophobicContact CG2-CG 3.75Å; P1624-R1643 PolarHBondContact O-NH1 2.95Å; P1624-Q1647 WeakPolarHBondContact CG-O 3.35Å; P1624-V1669 HydrophobicContact CB-CG2 4.07Å | ||
| 1625 | Q | 81.8 | Confident | 71.2 | Confident | 53 Ų | 53 | 61.3 Ų | 61.3 | 25% | 0.248 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -59.9 | -69.5 | -43.5 | 0 | 0 | 109.5 | C1667 I1668 | Q1625-C1667 CarbonylContact O-C 3.49Å; Q1625-C1667 WeakPolarHBondContact O-CA 3.37Å; Q1625-I1668 PolarHBondContact N-O 2.22Å; Q1625-I1668 WeakPolarHBondContact O-CA 3.19Å; Q1625-I1668 PolarHBondContact O-N 2.75Å | |
| 1626 | V | 86.8 | Confident | 70.6 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | F1613 C1615 V1633 I1649 V1651 F1665 K1666 | F1613-V1626 HydrophobicContact CE2-CG1 3.98Å; F1613-V1626 HydrophobicContact CZ-CG1 3.78Å; C1615-V1626 HydrophobicContact CB-CG2 4.03Å; V1626-V1633 HydrophobicContact CB-CG2 3.37Å; V1626-V1633 HydrophobicContact CG1-CG1 4.1Å; V1626-V1633 HydrophobicContact CG1-CG2 3.64Å; V1626-V1633 WeakPolarHBondContact O-CG2 3.09Å; V1626-V1633 PolarHBondContact O-N 3.43Å; V1626-V1633 VanDerWaalsContact O-N 3.16Å; V1626-I1649 HydrophobicContact CG2-CD1 4.37Å; V1626-I1649 HydrophobicContact CG2-CG2 3.41Å; V1626-I1649 VanDerWaalsContact CG2-CG2 3.41Å; V1626-V1651 HydrophobicContact CB-CG2 4.1Å; V1626-V1651 HydrophobicContact CG1-CG2 4.05Å; V1626-V1651 HydrophobicContact CG2-CG2 4.01Å; V1626-F1665 HydrophobicContact CG1-CD1 4.27Å; V1626-K1666 CarbonylContact C-O 3.35Å; V1626-K1666 VanDerWaalsContact CA-O 3.23Å; V1626-K1666 WeakPolarHBondContact CA-O 3.37Å | |
| 1627 | T | 83.7 | Confident | 70.6 | Confident | 23 Ų | 23 | 70 Ų | 70 | 14% | 0.141 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | 56.7 | 0 | 0 | 0 | 0 | 109.5 | R1631 F1665 K1666 I1668 | T1627-R1631 CarbonylContact C-O 3.58Å; T1627-R1631 WeakPolarHBondContact CA-O 3.48Å; T1627-R1631 WeakPolarHBondContact CB-O 3.44Å; T1627-F1665 CarbonylContact O-C 3.38Å; T1627-F1665 WeakPolarHBondContact O-CA 3.41Å; T1627-K1666 PolarHBondContact N-O 2.86Å; T1627-K1666 PolarHBondContact O-N 3.34Å; T1627-K1666 VanDerWaalsContact OG1-CB 3.3Å; T1627-K1666 WeakPolarHBondContact OG1-CB 3.22Å; T1627-I1668 HydrophobicContact CG2-CD1 3.87Å | |
| 1628 | F | 84.1 | Confident | 70.8 | Confident | 9 Ų | 9 | 73.7 Ų | 73.7 | 4% | 0.039 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | 174.9 | -112.5 | 0 | 0 | 0 | 109.9 | E1630 R1631 V1633 F1639 I1657 H1663 F1665 | F1628-E1630 PolarHBondContact O-N 3.2Å; F1628-R1631 PolarHBondContact N-O 3.39Å; F1628-R1631 PolarHBondContact O-N 3Å; F1628-V1633 HydrophobicContact CB-CG1 3.74Å; F1628-F1639 HydrophobicContact CB-CE2 4.13Å; F1628-F1639 HydrophobicContact CB-CZ 4.42Å; F1628-F1639 AromaticContact CD1-CE2 3.98Å; F1628-F1639 HydrophobicContact CD1-CE2 3.98Å; F1628-F1639 HydrophobicContact CD1-CZ 4.09Å; F1628-F1639 HydrophobicContact CD2-CZ 4.34Å; F1628-F1639 HydrophobicContact CE1-CZ 4.44Å; F1628-F1639 HydrophobicContact CG-CE2 4.08Å; F1628-F1639 HydrophobicContact CG-CZ 4.04Å; F1628-I1657 HydrophobicContact CE2-CD1 4.02Å; F1628-I1657 HydrophobicContact CZ-CD1 4.02Å; F1628-H1663 HydrophobicContact CE2-CB 3.48Å; F1628-H1663 VanDerWaalsContact CE2-CB 3.48Å; F1628-H1663 AromaticContact CE2-CG 3.95Å; F1628-H1663 HydrophobicContact CZ-CB 4.1Å; F1628-H1663 AromaticContact CZ-ND1 3.8Å; F1628-F1665 HydrophobicContact CB-CD1 3.78Å; F1628-F1665 HydrophobicContact CB-CE1 3.47Å; F1628-F1665 VanDerWaalsContact CB-CE1 3.47Å; F1628-F1665 HydrophobicContact CB-CZ 4.15Å; F1628-F1665 AromaticContact CD2-CD1 3.89Å; F1628-F1665 HydrophobicContact CD2-CD1 3.89Å; F1628-F1665 AromaticContact CD2-CD2 3.94Å; F1628-F1665 HydrophobicContact CD2-CD2 3.94Å; F1628-F1665 AromaticContact CD2-CE1 3.38Å; F1628-F1665 HydrophobicContact CD2-CE1 3.38Å; F1628-F1665 AromaticContact CD2-CE2 3.44Å; F1628-F1665 HydrophobicContact CD2-CE2 3.44Å; F1628-F1665 VanDerWaalsContact CD2-CE2 3.44Å; F1628-F1665 HydrophobicContact CD2-CG 4.14Å; F1628-F1665 AromaticContact CD2-CZ 3.13Å; F1628-F1665 HydrophobicContact CD2-CZ 3.13Å; F1628-F1665 HydrophobicContact CE2-CD2 4.45Å; F1628-F1665 HydrophobicContact CE2-CE1 4.32Å; F1628-F1665 AromaticContact CE2-CE2 3.71Å; F1628-F1665 HydrophobicContact CE2-CE2 3.71Å; F1628-F1665 AromaticContact CE2-CZ 3.64Å; F1628-F1665 HydrophobicContact CE2-CZ 3.64Å; F1628-F1665 HydrophobicContact CG-CD1 4.27Å; F1628-F1665 AromaticContact CG-CE1 3.67Å; F1628-F1665 HydrophobicContact CG-CE1 3.67Å; F1628-F1665 HydrophobicContact CG-CE2 4.49Å; F1628-F1665 AromaticContact CG-CZ 3.81Å; F1628-F1665 HydrophobicContact CG-CZ 3.81Å | |
| 1629 | D | 65.9 | Low | 72 | Confident | 106 Ų | 106 | 70.6 Ų | 70.6 | 57% | 0.567 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -78.1 | -15.1 | 0 | 0 | 0 | 111.1 | R1631 | D1629-R1631 PolarHBondContact O-N 2.76Š| |
| 1630 | E | 65 | Low | 73.1 | Confident | 162 Ų | 162 | 71.9 Ų | 71.9 | 76% | 0.757 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -60.7 | -101.6 | 172.3 | 0 | 0 | 110.7 | F1628 K1666 | F1628-E1630 PolarHBondContact O-N 3.2Å; E1630-K1666 IonicContact OE1-NZ 2.76Å | |
| 1631 | R | 70.7 | Confident | 74.6 | Confident | 200 Ų | 200 | 68.7 Ų | 68.7 | 76% | 0.755 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | 0 | 141.3 | 0 | -70.8 | -177.9 | -173 | -169.5 | -1.1 | 109.6 | T1627 F1628 D1629 | T1627-R1631 CarbonylContact C-O 3.58Å; T1627-R1631 WeakPolarHBondContact CA-O 3.48Å; T1627-R1631 WeakPolarHBondContact CB-O 3.44Å; F1628-R1631 PolarHBondContact N-O 3.39Å; F1628-R1631 PolarHBondContact O-N 3Å; D1629-R1631 PolarHBondContact O-N 2.76Å | |
| 1632 | S | 77.9 | Confident | 75.5 | Confident | 34 Ų | 34 | 69.2 Ų | 69.2 | 24% | 0.238 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 0 | -176.8 | -178.2 | 0 | 0 | 0 | 0 | 110.8 | E1634 R1635 | S1632-E1634 VanDerWaalsContact C-N 3.26Å; S1632-E1634 PolarHBondContact O-N 3.27Å; S1632-R1635 PolarHBondContact O-N 2.63Å |
| 1633 | V | 82.1 | Confident | 76.4 | Confident | 1 Ų | 1 | 71.9 Ų | 71.9 | 1% | 0.006 | 34% | 0.343 | C | S | . | . | G | 310 helix | 0 | -23.5 | 0 | -79.9 | 0 | 0 | 0 | 0 | 109.6 | V1626 F1628 R1635 D1636 F1639 V1641 V1651 F1665 | V1626-V1633 HydrophobicContact CB-CG2 3.37Å; V1626-V1633 HydrophobicContact CG1-CG1 4.1Å; V1626-V1633 HydrophobicContact CG1-CG2 3.64Å; V1626-V1633 WeakPolarHBondContact O-CG2 3.09Å; V1626-V1633 PolarHBondContact O-N 3.43Å; V1626-V1633 VanDerWaalsContact O-N 3.16Å; F1628-V1633 HydrophobicContact CB-CG1 3.74Å; V1633-R1635 PolarHBondContact O-N 3.37Å; V1633-D1636 PolarHBondContact O-N 2.74Å; V1633-F1639 HydrophobicContact CB-CB 4.39Å; V1633-F1639 HydrophobicContact CB-CD2 4.1Å; V1633-F1639 HydrophobicContact CB-CG 4.41Å; V1633-F1639 HydrophobicContact CG1-CD2 3.86Å; V1633-F1639 HydrophobicContact CG1-CE2 4.09Å; V1633-F1639 HydrophobicContact CG1-CG 4.31Å; V1633-V1641 HydrophobicContact CG2-CG2 4.27Å; V1633-V1651 HydrophobicContact CB-CG1 4.39Å; V1633-V1651 HydrophobicContact CG1-CG1 4.47Å; V1633-V1651 HydrophobicContact CG2-CG2 4.18Å; V1633-F1665 HydrophobicContact CG1-CD1 3.8Å; V1633-F1665 HydrophobicContact CG1-CE1 3.63Å | |
| 1634 | E | 76.9 | Confident | 76.4 | Confident | 76 Ų | 76 | 74.2 Ų | 74.2 | 36% | 0.355 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -67.7 | -21.4 | -179.3 | -75.1 | 157.6 | 172.4 | 0 | 0 | 111.2 | S1632 V1641 R1643 I1649 | S1632-E1634 VanDerWaalsContact C-N 3.26Å; S1632-E1634 PolarHBondContact O-N 3.27Å; E1634-V1641 HydrophobicContact CG-CB 4.25Å; E1634-V1641 HydrophobicContact CG-CG1 4.12Å; E1634-V1641 HydrophobicContact CG-CG2 4.1Å; E1634-R1643 IonicContact OE1-CZ 3.81Å; E1634-R1643 IonicContact OE1-NE 3.66Å; E1634-R1643 IonicContact OE1-NH2 1.82Å; E1634-R1643 PolarHBondContact OE1-NH2 3Å; E1634-I1649 WeakPolarHBondContact OE1-CD1 3.43Å |
| 1635 | R | 69.6 | Low | 76.1 | Confident | 212 Ų | 212 | 76.7 Ų | 76.7 | 80% | 0.8 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -100.4 | -4.3 | -178.3 | -69.7 | -173.5 | -175 | -158.1 | 1 | 109.9 | S1632 V1633 | S1632-R1635 PolarHBondContact O-N 2.63Å; V1633-R1635 PolarHBondContact O-N 3.37Å |
| 1636 | D | 72 | Confident | 75.2 | Confident | 35 Ų | 35 | 80.4 Ų | 80.4 | 19% | 0.187 | 40% | 0.395 | C | S | . | . | trans | -98.3 | 0 | -177.5 | -168 | -43 | 0 | 0 | 0 | 109.1 | V1633 R1638 F1639 | V1633-D1636 PolarHBondContact O-N 2.74Å; D1636-R1638 VanDerWaalsContact CG-NE 3.31Å; D1636-R1638 PolarHBondContact O-N 3.08Å; D1636-R1638 WeakPolarHBondContact OD1-CB 3.28Å; D1636-R1638 WeakPolarHBondContact OD1-CG 3.39Å; D1636-R1638 IonicContact OD1-CZ 2.95Å; D1636-R1638 PolarHBondContact OD1-N 2.65Å; D1636-R1638 IonicContact OD1-NE 3.87Å; D1636-R1638 PolarHBondContact OD1-NE 2.55Å; D1636-R1638 IonicContact OD1-NH2 3.86Å; D1636-R1638 IonicContact OD2-CZ 3.39Å; D1636-R1638 VanDerWaalsContact OD2-CZ 3.23Å; D1636-R1638 IonicContact OD2-NE 2.71Å; D1636-R1638 PolarHBondContact OD2-NE 3.41Å; D1636-R1638 IonicContact OD2-NH2 3.46Å; D1636-R1638 PolarHBondContact OD2-NH2 3.39Å; D1636-F1639 HydrophobicContact CB-CD2 3.7Å; D1636-F1639 HydrophobicContact CB-CE2 4.1Å; D1636-F1639 PolarHBondContact O-N 3.2Å; D1636-F1639 VanDerWaalsContact O-N 3.13Å | ||
| 1637 | N | 74 | Confident | 74.6 | Confident | 166 Ų | 166 | 83 Ų | 83 | 89% | 0.888 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | -9.8 | 0 | -69.5 | -11 | 0 | 0 | 0 | 111.2 | F1639 | N1637-F1639 PolarHBondContact O-N 3.06Š| |
| 1638 | R | 72.2 | Confident | 74.2 | Confident | 85 Ų | 85 | 82.8 Ų | 82.8 | 32% | 0.321 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -18.4 | 179.4 | -67.2 | 179 | -67 | 172.2 | -0.7 | 110.6 | D1636 P1654 | D1636-R1638 VanDerWaalsContact CG-NE 3.31Å; D1636-R1638 PolarHBondContact O-N 3.08Å; D1636-R1638 WeakPolarHBondContact OD1-CB 3.28Å; D1636-R1638 WeakPolarHBondContact OD1-CG 3.39Å; D1636-R1638 IonicContact OD1-CZ 2.95Å; D1636-R1638 PolarHBondContact OD1-N 2.65Å; D1636-R1638 IonicContact OD1-NE 3.87Å; D1636-R1638 PolarHBondContact OD1-NE 2.55Å; D1636-R1638 IonicContact OD1-NH2 3.86Å; D1636-R1638 IonicContact OD2-CZ 3.39Å; D1636-R1638 VanDerWaalsContact OD2-CZ 3.23Å; D1636-R1638 IonicContact OD2-NE 2.71Å; D1636-R1638 PolarHBondContact OD2-NE 3.41Å; D1636-R1638 IonicContact OD2-NH2 3.46Å; D1636-R1638 PolarHBondContact OD2-NH2 3.39Å; R1638-P1654 WeakPolarHBondContact O-CD 2.82Å |
| 1639 | F | 84.5 | Confident | 74.3 | Confident | 13 Ų | 13 | 82.3 Ų | 82.3 | 6% | 0.057 | 40% | 0.404 | C | S | . | . | trans | -120.6 | 133.7 | -172.6 | -55.7 | -72.5 | 0 | 0 | 0 | 109.3 | F1611 F1628 V1633 D1636 N1637 V1651 T1652 A1653 I1657 F1665 | F1611-F1639 HydrophobicContact CE2-CE1 4.47Å; F1611-F1639 AromaticContact CZ-CE1 3.97Å; F1611-F1639 HydrophobicContact CZ-CE1 3.97Å; F1628-F1639 HydrophobicContact CB-CE2 4.13Å; F1628-F1639 HydrophobicContact CB-CZ 4.42Å; F1628-F1639 AromaticContact CD1-CE2 3.98Å; F1628-F1639 HydrophobicContact CD1-CE2 3.98Å; F1628-F1639 HydrophobicContact CD1-CZ 4.09Å; F1628-F1639 HydrophobicContact CD2-CZ 4.34Å; F1628-F1639 HydrophobicContact CE1-CZ 4.44Å; F1628-F1639 HydrophobicContact CG-CE2 4.08Å; F1628-F1639 HydrophobicContact CG-CZ 4.04Å; V1633-F1639 HydrophobicContact CB-CB 4.39Å; V1633-F1639 HydrophobicContact CB-CD2 4.1Å; V1633-F1639 HydrophobicContact CB-CG 4.41Å; V1633-F1639 HydrophobicContact CG1-CD2 3.86Å; V1633-F1639 HydrophobicContact CG1-CE2 4.09Å; V1633-F1639 HydrophobicContact CG1-CG 4.31Å; D1636-F1639 HydrophobicContact CB-CD2 3.7Å; D1636-F1639 HydrophobicContact CB-CE2 4.1Å; D1636-F1639 PolarHBondContact O-N 3.2Å; D1636-F1639 VanDerWaalsContact O-N 3.13Å; N1637-F1639 PolarHBondContact O-N 3.06Å; F1639-V1651 HydrophobicContact CB-CG1 3.93Å; F1639-V1651 HydrophobicContact CD1-CG1 4.09Å; F1639-V1651 HydrophobicContact CG-CG1 4.2Å; F1639-T1652 CarbonylContact C-O 3.4Å; F1639-T1652 VanDerWaalsContact C-O 3.26Å; F1639-T1652 WeakPolarHBondContact CA-O 3.27Å; F1639-A1653 HydrophobicContact CD1-CB 3.67Å; F1639-A1653 HydrophobicContact CE1-CB 3.83Å; F1639-I1657 HydrophobicContact CE1-CD1 4.01Å; F1639-I1657 HydrophobicContact CE1-CG1 4.36Å; F1639-I1657 HydrophobicContact CZ-CD1 3.93Å; F1639-I1657 HydrophobicContact CZ-CG1 4.39Å; F1639-F1665 HydrophobicContact CD1-CE1 4.33Å; F1639-F1665 HydrophobicContact CD1-CZ 4.41Å; F1639-F1665 AromaticContact CE1-CE1 3.66Å; F1639-F1665 HydrophobicContact CE1-CE1 3.66Å; F1639-F1665 AromaticContact CE1-CZ 3.4Å; F1639-F1665 HydrophobicContact CE1-CZ 3.4Å; F1639-F1665 VanDerWaalsContact CE1-CZ 3.4Å; F1639-F1665 HydrophobicContact CE2-CE1 4.05Å; F1639-F1665 HydrophobicContact CE2-CZ 4.29Å; F1639-F1665 AromaticContact CZ-CE1 3.49Å; F1639-F1665 HydrophobicContact CZ-CE1 3.49Å; F1639-F1665 VanDerWaalsContact CZ-CE1 3.49Å; F1639-F1665 AromaticContact CZ-CZ 3.32Å; F1639-F1665 HydrophobicContact CZ-CZ 3.32Å | ||
| 1640 | V | 80.5 | Confident | 75.3 | Confident | 75 Ų | 75 | 78.5 Ų | 78.5 | 46% | 0.455 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 0 | 170.6 | 179.4 | 0 | 0 | 0 | 0 | 109.3 | T1652 P1654 | V1640-T1652 WeakPolarHBondContact CA-O 3.19Å; V1640-T1652 PolarHBondContact N-O 2.82Å; V1640-T1652 WeakPolarHBondContact O-CA 3.15Å; V1640-T1652 WeakPolarHBondContact O-CB 3.45Å; V1640-T1652 PolarHBondContact O-N 2.73Å; V1640-P1654 HydrophobicContact CB-CG 4.35Å; V1640-P1654 HydrophobicContact CG2-CG 3.39Å |
| 1641 | V | 82.5 | Confident | 76.4 | Confident | 40 Ų | 40 | 70.8 Ų | 70.8 | 24% | 0.242 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 124 | 0 | 179.1 | 0 | 0 | 0 | 0 | 108.6 | V1633 E1634 I1649 V1650 V1651 | V1633-V1641 HydrophobicContact CG2-CG2 4.27Å; E1634-V1641 HydrophobicContact CG-CB 4.25Å; E1634-V1641 HydrophobicContact CG-CG1 4.12Å; E1634-V1641 HydrophobicContact CG-CG2 4.1Å; V1641-I1649 HydrophobicContact CG1-CD1 3.22Å; V1641-I1649 HydrophobicContact CG1-CG1 3.22Å; V1641-V1650 CarbonylContact C-O 3.54Å; V1641-V1650 WeakPolarHBondContact CA-O 3.2Å; V1641-V1651 HydrophobicContact CG2-CG2 4.32Å | |
| 1642 | T | 74.2 | Confident | 77.2 | Confident | 77 Ų | 77 | 62.3 Ų | 62.3 | 47% | 0.472 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 0 | 174.6 | 36.4 | 0 | 0 | 0 | 0 | 110 | P1644 V1650 | T1642-P1644 VanDerWaalsContact C-CD 3.46Å; T1642-P1644 WeakPolarHBondContact O-CD 3.4Å; T1642-V1650 PolarHBondContact N-O 2.86Å; T1642-V1650 PolarHBondContact O-N 3.35Å; T1642-V1650 WeakPolarHBondContact OG1-CB 2.85Å |
| 1643 | R | 74 | Confident | 77.5 | Confident | 103 Ų | 103 | 60.7 Ų | 60.7 | 39% | 0.389 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 94.5 | 0 | -81 | -179.3 | -167.7 | -87.8 | 2.6 | 109.4 | S1623 P1624 E1634 S1645 I1649 | S1623-R1643 PolarHBondContact OG-NH1 3.01Å; P1624-R1643 PolarHBondContact O-NH1 2.95Å; E1634-R1643 IonicContact OE1-CZ 3.81Å; E1634-R1643 IonicContact OE1-NE 3.66Å; E1634-R1643 IonicContact OE1-NH2 1.82Å; E1634-R1643 PolarHBondContact OE1-NH2 3Å; R1643-S1645 VanDerWaalsContact C-N 3.28Å; R1643-S1645 PolarHBondContact O-N 3.43Å; R1643-I1649 HydrophobicContact CG-CG1 4.28Å | |
| 1644 | P | 69.2 | Low | 77.3 | Confident | 89 Ų | 89 | 63.7 Ų | 63.7 | 58% | 0.578 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.7 | -30.2 | -176.8 | -9.3 | 12.9 | 0 | 0 | 0 | 111.7 | T1642 T1648 V1650 | T1642-P1644 VanDerWaalsContact C-CD 3.46Å; T1642-P1644 WeakPolarHBondContact O-CD 3.4Å; P1644-T1648 WeakPolarHBondContact CD-O 3.28Å; P1644-T1648 HydrophobicContact CG-CG2 4.23Å; P1644-V1650 HydrophobicContact CG-CG2 3.82Å |
| 1645 | S | 69.8 | Low | 77.2 | Confident | 51 Ų | 51 | 64.6 Ų | 64.6 | 36% | 0.357 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 0 | 171.9 | 72.5 | 0 | 0 | 0 | 0 | 109.7 | R1643 Q1647 T1648 | R1643-S1645 VanDerWaalsContact C-N 3.28Å; R1643-S1645 PolarHBondContact O-N 3.43Å; S1645-Q1647 PolarHBondContact O-N 3.12Å; S1645-Q1647 PolarHBondContact OG-N 2.98Å; S1645-T1648 PolarHBondContact O-N 2.69Å; S1645-T1648 WeakPolarHBondContact OG-CB 3.29Å; S1645-T1648 PolarHBondContact OG-N 2.82Å; S1645-T1648 PolarHBondContact OG-OG1 3.49Å; S1645-T1648 VanDerWaalsContact OG-OG1 3.06Å |
| 1646 | L | 63.4 | Low | 77.7 | Confident | 132 Ų | 132 | 54.7 Ų | 54.7 | 69% | 0.691 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | -5.4 | 0 | -83.3 | 164.3 | 0 | 0 | 0 | 111 | V1622 S1623 | V1622-L1646 CarbonylContact C-O 3.47Å; V1622-L1646 VanDerWaalsContact O-O 3.07Å; S1623-L1646 WeakPolarHBondContact CA-O 3.24Å; S1623-L1646 WeakPolarHBondContact CB-O 3.29Å | |
| 1647 | Q | 74.8 | Confident | 77.8 | Confident | 54 Ų | 54 | 53.1 Ų | 53.1 | 25% | 0.252 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | -3 | -174.6 | -67.6 | 175.1 | -35 | 0 | 0 | 110.4 | S1616 T1617 I1619 P1620 V1622 P1624 S1645 | S1616-Q1647 CarbonylContact C-O 3.03Å; S1616-Q1647 VanDerWaalsContact CA-O 3.27Å; S1616-Q1647 WeakPolarHBondContact CA-O 3.39Å; T1617-Q1647 HydrophobicContact CG2-CB 3.94Å; T1617-Q1647 HydrophobicContact CG2-CG 4.42Å; T1617-Q1647 VanDerWaalsContact CG2-O 3.23Å; T1617-Q1647 WeakPolarHBondContact CG2-O 3.2Å; T1617-Q1647 PolarHBondContact N-O 2.97Å; T1617-Q1647 VanDerWaalsContact O-CB 3.31Å; T1617-Q1647 WeakPolarHBondContact O-CB 3.21Å; I1619-Q1647 VanDerWaalsContact O-CD 3.29Å; I1619-Q1647 VanDerWaalsContact O-CG 3.24Å; I1619-Q1647 WeakPolarHBondContact O-CG 3.1Å; I1619-Q1647 PolarHBondContact O-NE2 3.48Å; P1620-Q1647 VanDerWaalsContact CB-NE2 3.3Å; V1622-Q1647 WeakPolarHBondContact O-CA 3.11Å; P1624-Q1647 WeakPolarHBondContact CG-O 3.35Å; S1645-Q1647 PolarHBondContact O-N 3.12Å; S1645-Q1647 PolarHBondContact OG-N 2.98Å |
| 1648 | T | 75.7 | Confident | 77.5 | Confident | 18 Ų | 18 | 48.5 Ų | 48.5 | 11% | 0.11 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 0 | -177.3 | -56.2 | 0 | 0 | 0 | 0 | 109.5 | E1614 C1615 S1616 P1644 S1645 | E1614-T1648 HydrophobicContact CG-CG2 3.63Å; E1614-T1648 WeakPolarHBondContact OE1-CG2 3.42Å; C1615-T1648 CarbonylContact O-C 3.07Å; C1615-T1648 VanDerWaalsContact O-CA 3.31Å; C1615-T1648 WeakPolarHBondContact O-CA 3.07Å; S1616-T1648 WeakPolarHBondContact CB-OG1 3.45Å; P1644-T1648 WeakPolarHBondContact CD-O 3.28Å; P1644-T1648 HydrophobicContact CG-CG2 4.23Å; S1645-T1648 PolarHBondContact O-N 2.69Å; S1645-T1648 WeakPolarHBondContact OG-CB 3.29Å; S1645-T1648 PolarHBondContact OG-N 2.82Å; S1645-T1648 PolarHBondContact OG-OG1 3.49Å; S1645-T1648 VanDerWaalsContact OG-OG1 3.06Å |
| 1649 | I | 84.6 | Confident | 77.3 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 129.7 | 0 | -168.9 | 167 | 0 | 0 | 0 | 108 | C1615 V1626 E1634 V1641 R1643 | C1615-I1649 WeakPolarHBondContact CA-O 3.2Å; C1615-I1649 HydrophobicContact CB-CG2 3.24Å; C1615-I1649 PolarHBondContact N-O 3.16Å; C1615-I1649 PolarHBondContact O-N 3.07Å; V1626-I1649 HydrophobicContact CG2-CD1 4.37Å; V1626-I1649 HydrophobicContact CG2-CG2 3.41Å; V1626-I1649 VanDerWaalsContact CG2-CG2 3.41Å; E1634-I1649 WeakPolarHBondContact OE1-CD1 3.43Å; V1641-I1649 HydrophobicContact CG1-CD1 3.22Å; V1641-I1649 HydrophobicContact CG1-CG1 3.22Å; R1643-I1649 HydrophobicContact CG-CG1 4.28Å | |
| 1650 | V | 88 | Confident | 76.3 | Confident | 26 Ų | 26 | 52.1 Ų | 52.1 | 16% | 0.158 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 0 | 176.1 | 179.3 | 0 | 0 | 0 | 0 | 109.3 | E1614 V1641 T1642 P1644 | E1614-V1650 HydrophobicContact CB-CG2 4.25Å; E1614-V1650 HydrophobicContact CG-CG2 3.99Å; V1641-V1650 CarbonylContact C-O 3.54Å; V1641-V1650 WeakPolarHBondContact CA-O 3.2Å; T1642-V1650 PolarHBondContact N-O 2.86Å; T1642-V1650 PolarHBondContact O-N 3.35Å; T1642-V1650 WeakPolarHBondContact OG1-CB 2.85Å; P1644-V1650 HydrophobicContact CG-CG2 3.82Å |
| 1651 | V | 87.7 | Confident | 75.7 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -179.9 | 0 | 0 | 0 | 0 | 108 | Q1612 F1613 V1626 V1633 F1639 V1641 | Q1612-V1651 CarbonylContact C-O 3.56Å; Q1612-V1651 WeakPolarHBondContact CA-O 3.36Å; Q1612-V1651 WeakPolarHBondContact CB-O 3.42Å; F1613-V1651 HydrophobicContact CD1-CB 4.34Å; F1613-V1651 HydrophobicContact CE1-CB 3.83Å; F1613-V1651 HydrophobicContact CE1-CG1 3.97Å; F1613-V1651 HydrophobicContact CE2-CB 4.1Å; F1613-V1651 HydrophobicContact CE2-CG2 4.11Å; F1613-V1651 HydrophobicContact CZ-CB 3.69Å; F1613-V1651 HydrophobicContact CZ-CG1 4.04Å; F1613-V1651 HydrophobicContact CZ-CG2 3.97Å; F1613-V1651 PolarHBondContact N-O 3.47Å; F1613-V1651 PolarHBondContact O-N 2.65Å; V1626-V1651 HydrophobicContact CB-CG2 4.1Å; V1626-V1651 HydrophobicContact CG1-CG2 4.05Å; V1626-V1651 HydrophobicContact CG2-CG2 4.01Å; V1633-V1651 HydrophobicContact CB-CG1 4.39Å; V1633-V1651 HydrophobicContact CG1-CG1 4.47Å; V1633-V1651 HydrophobicContact CG2-CG2 4.18Å; F1639-V1651 HydrophobicContact CB-CG1 3.93Å; F1639-V1651 HydrophobicContact CD1-CG1 4.09Å; F1639-V1651 HydrophobicContact CG-CG1 4.2Å; V1641-V1651 HydrophobicContact CG2-CG2 4.32Å | |
| 1652 | T | 87.9 | Confident | 75.2 | Confident | 22 Ų | 22 | 51.8 Ų | 51.8 | 14% | 0.135 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 127.3 | 0 | -54.3 | 0 | 0 | 0 | 0 | 109.4 | Q1612 F1639 V1640 P1654 | Q1612-T1652 HydrophobicContact CB-CG2 3.96Å; Q1612-T1652 PolarHBondContact OE1-OG1 2.74Å; F1639-T1652 CarbonylContact C-O 3.4Å; F1639-T1652 VanDerWaalsContact C-O 3.26Å; F1639-T1652 WeakPolarHBondContact CA-O 3.27Å; V1640-T1652 WeakPolarHBondContact CA-O 3.19Å; V1640-T1652 PolarHBondContact N-O 2.82Å; V1640-T1652 WeakPolarHBondContact O-CA 3.15Å; V1640-T1652 WeakPolarHBondContact O-CB 3.45Å; V1640-T1652 PolarHBondContact O-N 2.73Å; T1652-P1654 VanDerWaalsContact C-CD 3.46Å; T1652-P1654 WeakPolarHBondContact O-CD 3.14Å | |
| 1653 | A | 84.3 | Confident | 75.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 93.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | R1610 F1611 F1639 T1655 G1656 | R1610-A1653 WeakPolarHBondContact CA-O 3.21Å; F1611-A1653 HydrophobicContact CD1-CB 3.89Å; F1611-A1653 HydrophobicContact CD2-CB 4.32Å; F1611-A1653 HydrophobicContact CE1-CB 3.54Å; F1611-A1653 HydrophobicContact CE2-CB 3.99Å; F1611-A1653 HydrophobicContact CG-CB 4.27Å; F1611-A1653 HydrophobicContact CZ-CB 3.59Å; F1611-A1653 PolarHBondContact N-O 2.57Å; F1611-A1653 VanDerWaalsContact N-O 3.15Å; F1611-A1653 PolarHBondContact O-N 2.9Å; F1639-A1653 HydrophobicContact CD1-CB 3.67Å; F1639-A1653 HydrophobicContact CE1-CB 3.83Å; A1653-T1655 VanDerWaalsContact C-N 3.29Å; A1653-T1655 PolarHBondContact O-N 2.65Å; A1653-G1656 PolarHBondContact O-N 2.55Å; A1653-G1656 VanDerWaalsContact O-N 3.11Å |
| 1654 | P | 76.8 | Confident | 75.8 | Confident | 63 Ų | 63 | 49.4 Ų | 49.4 | 41% | 0.409 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 0 | -170.2 | -2.4 | 3.3 | 0 | 0 | 0 | 111.8 | R1610 R1638 V1640 T1652 | R1610-P1654 VanDerWaalsContact CB-O 3.27Å; R1610-P1654 WeakPolarHBondContact CB-O 3.09Å; R1638-P1654 WeakPolarHBondContact O-CD 2.82Å; V1640-P1654 HydrophobicContact CB-CG 4.35Å; V1640-P1654 HydrophobicContact CG2-CG 3.39Å; T1652-P1654 VanDerWaalsContact C-CD 3.46Å; T1652-P1654 WeakPolarHBondContact O-CD 3.14Å |
| 1655 | T | 76.2 | Confident | 76.7 | Confident | 96 Ų | 96 | 45.2 Ų | 45.2 | 59% | 0.589 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 53.1 | 0 | 0 | 0 | 0 | 110 | N1608 A1653 | N1608-T1655 CarbonylContact C-O 3.55Å; N1608-T1655 WeakPolarHBondContact CA-O 3.24Å; A1653-T1655 VanDerWaalsContact C-N 3.29Å; A1653-T1655 PolarHBondContact O-N 2.65Å | |
| 1656 | G | 78.8 | Confident | 77.3 | Confident | 4 Ų | 4 | 45.9 Ų | 45.9 | 4% | 0.041 | 27% | 0.266 | C | S | . | . | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q1609 A1653 | Q1609-G1656 VanDerWaalsContact C-CA 3.44Å; Q1609-G1656 WeakPolarHBondContact O-CA 3.4Å; A1653-G1656 PolarHBondContact O-N 2.55Å; A1653-G1656 VanDerWaalsContact O-N 3.11Å | |||
| 1657 | I | 75.5 | Confident | 78.2 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | 0 | 0 | 0 | -58 | 170.8 | 0 | 0 | 0 | 108.4 | P1607 N1608 F1611 F1628 F1639 D1659 F1665 I1681 | P1607-I1657 WeakPolarHBondContact CA-O 3.47Å; N1608-I1657 PolarHBondContact N-O 2.82Å; F1611-I1657 HydrophobicContact CE1-CB 4.5Å; F1611-I1657 HydrophobicContact CE1-CD1 3.65Å; F1611-I1657 HydrophobicContact CE1-CG1 3.68Å; F1611-I1657 HydrophobicContact CZ-CD1 3.33Å; F1611-I1657 HydrophobicContact CZ-CG1 3.85Å; F1628-I1657 HydrophobicContact CE2-CD1 4.02Å; F1628-I1657 HydrophobicContact CZ-CD1 4.02Å; F1639-I1657 HydrophobicContact CE1-CD1 4.01Å; F1639-I1657 HydrophobicContact CE1-CG1 4.36Å; F1639-I1657 HydrophobicContact CZ-CD1 3.93Å; F1639-I1657 HydrophobicContact CZ-CG1 4.39Å; I1657-D1659 HydrophobicContact CG2-CB 4.23Å; I1657-F1665 HydrophobicContact CD1-CE2 4.21Å; I1657-F1665 HydrophobicContact CD1-CZ 3.97Å; I1657-I1681 HydrophobicContact CB-CD1 3.16Å; I1657-I1681 HydrophobicContact CG1-CD1 4.37Å; I1657-I1681 HydrophobicContact CG2-CD1 3.64Å; I1657-I1681 WeakPolarHBondContact O-CD1 3.24Å | |||
| 1658 | S | 67.2 | Low | 78.3 | Confident | 69 Ų | 69 | 39.2 Ų | 39.2 | 48% | 0.483 | 23% | 0.233 | S | C | . | . | 0 | 0 | 0 | 55.2 | 0 | 0 | 0 | 0 | 111 | I1660 | S1658-I1660 PolarHBondContact O-N 2.88Š| |||
| 1659 | D | 67.9 | Low | 77.9 | Confident | 87 Ų | 87 | 39.7 Ų | 39.7 | 47% | 0.465 | 24% | 0.236 | S | C | . | . | 0 | 110.8 | 0 | -68.6 | -19.7 | 0 | 0 | 0 | 110.7 | I1657 H1663 I1681 | I1657-D1659 HydrophobicContact CG2-CB 4.23Å; D1659-H1663 VanDerWaalsContact CB-CE1 3.49Å; D1659-H1663 WeakPolarHBondContact CB-CE1 3.31Å; D1659-H1663 WeakPolarHBondContact CB-NE2 3.26Å; D1659-H1663 PolarHBondContact O-CD2 2.79Å; D1659-H1663 PolarHBondContact O-NE2 2.82Å; D1659-I1681 WeakPolarHBondContact O-CB 3.42Å; D1659-I1681 WeakPolarHBondContact O-CD1 3.39Å | |||
| 1660 | I | 63.7 | Low | 76.4 | Confident | 87 Ų | 87 | 42.2 Ų | 42.2 | 45% | 0.446 | 25% | 0.253 | S | S | . | . | trans | -67.9 | 131.4 | 180 | -64.2 | 169.6 | 0 | 0 | 0 | 109.4 | P1607 S1658 I1681 | P1607-I1660 HydrophobicContact CG-CD1 4.46Å; P1607-I1660 HydrophobicContact CG-CG1 3.88Å; S1658-I1660 PolarHBondContact O-N 2.88Å; I1660-I1681 WeakPolarHBondContact CG2-O 3.27Å | ||
| 1661 | G | 66.6 | Low | 74.7 | Confident | 29 Ų | 29 | 47.6 Ų | 47.6 | 30% | 0.299 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 132.3 | 171.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | H1663 I1681 | G1661-H1663 PolarHBondContact O-CD2 2.27Å; G1661-I1681 PolarHBondContact N-O 2.71Å; G1661-I1681 PolarHBondContact O-N 2.6Å |
| 1662 | A | 73.3 | Confident | 72.7 | Confident | 79 Ų | 79 | 54.4 Ų | 54.4 | 65% | 0.653 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 112.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 1663 | H | 78.2 | Confident | 71.3 | Confident | 19 Ų | 19 | 55 Ų | 55 | 9% | 0.088 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 0 | 175.3 | -60.2 | -77.8 | 0 | 0 | 0 | 110.4 | F1628 D1659 G1661 V1679 | F1628-H1663 HydrophobicContact CE2-CB 3.48Å; F1628-H1663 VanDerWaalsContact CE2-CB 3.48Å; F1628-H1663 AromaticContact CE2-CG 3.95Å; F1628-H1663 HydrophobicContact CZ-CB 4.1Å; F1628-H1663 AromaticContact CZ-ND1 3.8Å; D1659-H1663 VanDerWaalsContact CB-CE1 3.49Å; D1659-H1663 WeakPolarHBondContact CB-CE1 3.31Å; D1659-H1663 WeakPolarHBondContact CB-NE2 3.26Å; D1659-H1663 PolarHBondContact O-CD2 2.79Å; D1659-H1663 PolarHBondContact O-NE2 2.82Å; G1661-H1663 PolarHBondContact O-CD2 2.27Å; H1663-V1679 PolarHBondContact N-O 2.63Å; H1663-V1679 PolarHBondContact O-N 2.83Å |
| 1664 | K | 82.7 | Confident | 70.3 | Confident | 111 Ų | 111 | 58 Ų | 58 | 48% | 0.483 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 120 | 0 | -71.9 | -174.7 | -175.8 | -174 | 0 | 109.8 | |||
| 1665 | F | 87.6 | Confident | 70.2 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 0 | 169.1 | -71.1 | -99 | 0 | 0 | 0 | 110.3 | F1611 F1613 V1626 T1627 F1628 V1633 F1639 I1657 E1676 V1677 V1679 | F1611-F1665 HydrophobicContact CE2-CE2 4.18Å; F1611-F1665 HydrophobicContact CE2-CZ 4.22Å; F1611-F1665 HydrophobicContact CZ-CE2 4.2Å; F1611-F1665 HydrophobicContact CZ-CZ 4.11Å; F1613-F1665 HydrophobicContact CE1-CB 4.35Å; F1613-F1665 AromaticContact CE1-CD1 3.93Å; F1613-F1665 HydrophobicContact CE1-CD1 3.93Å; F1613-F1665 HydrophobicContact CE1-CD2 4.28Å; F1613-F1665 HydrophobicContact CE1-CE1 4.26Å; F1613-F1665 AromaticContact CE1-CG 3.94Å; F1613-F1665 HydrophobicContact CE1-CG 3.94Å; F1613-F1665 HydrophobicContact CE2-CB 4.5Å; F1613-F1665 HydrophobicContact CZ-CB 3.83Å; F1613-F1665 AromaticContact CZ-CD1 3.7Å; F1613-F1665 HydrophobicContact CZ-CD1 3.7Å; F1613-F1665 HydrophobicContact CZ-CE1 4.4Å; F1613-F1665 AromaticContact CZ-CG 3.79Å; F1613-F1665 HydrophobicContact CZ-CG 3.79Å; V1626-F1665 HydrophobicContact CG1-CD1 4.27Å; T1627-F1665 CarbonylContact O-C 3.38Å; T1627-F1665 WeakPolarHBondContact O-CA 3.41Å; F1628-F1665 HydrophobicContact CB-CD1 3.78Å; F1628-F1665 HydrophobicContact CB-CE1 3.47Å; F1628-F1665 VanDerWaalsContact CB-CE1 3.47Å; F1628-F1665 HydrophobicContact CB-CZ 4.15Å; F1628-F1665 AromaticContact CD2-CD1 3.89Å; F1628-F1665 HydrophobicContact CD2-CD1 3.89Å; F1628-F1665 AromaticContact CD2-CD2 3.94Å; F1628-F1665 HydrophobicContact CD2-CD2 3.94Å; F1628-F1665 AromaticContact CD2-CE1 3.38Å; F1628-F1665 HydrophobicContact CD2-CE1 3.38Å; F1628-F1665 AromaticContact CD2-CE2 3.44Å; F1628-F1665 HydrophobicContact CD2-CE2 3.44Å; F1628-F1665 VanDerWaalsContact CD2-CE2 3.44Å; F1628-F1665 HydrophobicContact CD2-CG 4.14Å; F1628-F1665 AromaticContact CD2-CZ 3.13Å; F1628-F1665 HydrophobicContact CD2-CZ 3.13Å; F1628-F1665 HydrophobicContact CE2-CD2 4.45Å; F1628-F1665 HydrophobicContact CE2-CE1 4.32Å; F1628-F1665 AromaticContact CE2-CE2 3.71Å; F1628-F1665 HydrophobicContact CE2-CE2 3.71Å; F1628-F1665 AromaticContact CE2-CZ 3.64Å; F1628-F1665 HydrophobicContact CE2-CZ 3.64Å; F1628-F1665 HydrophobicContact CG-CD1 4.27Å; F1628-F1665 AromaticContact CG-CE1 3.67Å; F1628-F1665 HydrophobicContact CG-CE1 3.67Å; F1628-F1665 HydrophobicContact CG-CE2 4.49Å; F1628-F1665 AromaticContact CG-CZ 3.81Å; F1628-F1665 HydrophobicContact CG-CZ 3.81Å; V1633-F1665 HydrophobicContact CG1-CD1 3.8Å; V1633-F1665 HydrophobicContact CG1-CE1 3.63Å; F1639-F1665 HydrophobicContact CD1-CE1 4.33Å; F1639-F1665 HydrophobicContact CD1-CZ 4.41Å; F1639-F1665 AromaticContact CE1-CE1 3.66Å; F1639-F1665 HydrophobicContact CE1-CE1 3.66Å; F1639-F1665 AromaticContact CE1-CZ 3.4Å; F1639-F1665 HydrophobicContact CE1-CZ 3.4Å; F1639-F1665 VanDerWaalsContact CE1-CZ 3.4Å; F1639-F1665 HydrophobicContact CE2-CE1 4.05Å; F1639-F1665 HydrophobicContact CE2-CZ 4.29Å; F1639-F1665 AromaticContact CZ-CE1 3.49Å; F1639-F1665 HydrophobicContact CZ-CE1 3.49Å; F1639-F1665 VanDerWaalsContact CZ-CE1 3.49Å; F1639-F1665 AromaticContact CZ-CZ 3.32Å; F1639-F1665 HydrophobicContact CZ-CZ 3.32Å; I1657-F1665 HydrophobicContact CD1-CE2 4.21Å; I1657-F1665 HydrophobicContact CD1-CZ 3.97Å; F1665-E1676 CarbonylContact O-C 3.52Å; F1665-E1676 VanDerWaalsContact O-C 3.29Å; F1665-E1676 WeakPolarHBondContact O-CA 3.17Å; F1665-V1677 HydrophobicContact CB-CB 3.79Å; F1665-V1677 HydrophobicContact CB-CG2 4.47Å; F1665-V1677 PolarHBondContact N-O 3.4Å; F1665-V1677 PolarHBondContact O-N 3.05Å; F1665-V1679 HydrophobicContact CD2-CB 4.39Å; F1665-V1679 HydrophobicContact CD2-CG2 3.6Å; F1665-V1679 HydrophobicContact CE2-CB 4.13Å; F1665-V1679 HydrophobicContact CE2-CG2 3.59Å |
| 1666 | K | 82.5 | Confident | 70.3 | Confident | 65 Ų | 65 | 58.6 Ų | 58.6 | 28% | 0.283 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 120.2 | 0 | -69.6 | -176.7 | -179.1 | -180 | 0 | 109.4 | V1626 T1627 E1630 I1668 V1674 K1675 E1676 | V1626-K1666 CarbonylContact C-O 3.35Å; V1626-K1666 VanDerWaalsContact CA-O 3.23Å; V1626-K1666 WeakPolarHBondContact CA-O 3.37Å; T1627-K1666 PolarHBondContact N-O 2.86Å; T1627-K1666 PolarHBondContact O-N 3.34Å; T1627-K1666 VanDerWaalsContact OG1-CB 3.3Å; T1627-K1666 WeakPolarHBondContact OG1-CB 3.22Å; E1630-K1666 IonicContact OE1-NZ 2.76Å; K1666-I1668 HydrophobicContact CB-CD1 4.3Å; K1666-I1668 HydrophobicContact CB-CG1 4.11Å; K1666-V1674 HydrophobicContact CB-CG1 3.59Å; K1666-V1674 HydrophobicContact CD-CG1 3.99Å; K1666-V1674 HydrophobicContact CG-CG1 3.93Å; K1666-K1675 CarbonylContact C-O 3.56Å; K1666-E1676 HydrophobicContact CG-CG 3.98Å | |
| 1667 | C | 82.8 | Confident | 70.5 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 0 | 168.9 | -167.7 | 0 | 0 | 0 | 0 | 110.9 | I1596 V1598 C1615 Q1625 V1674 K1675 | I1596-C1667 HydrophobicContact CG2-CB 3.82Å; I1596-C1667 WeakPolarHBondContact CG2-SG 3.29Å; V1598-C1667 HydrophobicContact CG2-CB 3.89Å; C1615-C1667 HydrophobicContact CB-CB 4.16Å; C1615-C1667 WeakPolarHBondContact CB-SG 3.26Å; C1615-C1667 WeakPolarHBondContact SG-CB 3.49Å; C1615-C1667 CovalentContact SG-SG 1.36Å; C1615-C1667 PolarHBondContact SG-SG 1.62Å; Q1625-C1667 CarbonylContact O-C 3.49Å; Q1625-C1667 WeakPolarHBondContact O-CA 3.37Å; C1667-V1674 CarbonylContact O-C 3.45Å; C1667-V1674 WeakPolarHBondContact O-CA 3.27Å; C1667-K1675 WeakPolarHBondContact CA-O 2.72Å; C1667-K1675 HydrophobicContact CB-CB 4.37Å; C1667-K1675 WeakPolarHBondContact CB-O 3.22Å; C1667-K1675 PolarHBondContact N-O 2.54Å; C1667-K1675 PolarHBondContact O-N 3.45Å |
| 1668 | I | 77 | Confident | 70.6 | Confident | 47 Ų | 47 | 61.8 Ų | 61.8 | 24% | 0.241 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 121.9 | 0 | -56.9 | 169.5 | 0 | 0 | 0 | 108 | Q1625 T1627 K1666 S1670 V1674 | Q1625-I1668 PolarHBondContact N-O 2.22Å; Q1625-I1668 WeakPolarHBondContact O-CA 3.19Å; Q1625-I1668 PolarHBondContact O-N 2.75Å; T1627-I1668 HydrophobicContact CG2-CD1 3.87Å; K1666-I1668 HydrophobicContact CB-CD1 4.3Å; K1666-I1668 HydrophobicContact CB-CG1 4.11Å; I1668-S1670 WeakPolarHBondContact CG2-O 3.43Å; I1668-V1674 HydrophobicContact CB-CG2 4.4Å; I1668-V1674 HydrophobicContact CG1-CB 4.46Å; I1668-V1674 HydrophobicContact CG1-CG1 3.91Å; I1668-V1674 HydrophobicContact CG1-CG2 3.93Å; I1668-V1674 HydrophobicContact CG2-CG2 4.06Å | |
| 1669 | V | 65.7 | Low | 71.3 | Confident | 28 Ų | 28 | 58.6 Ų | 58.6 | 17% | 0.17 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 0 | 172.7 | 175.2 | 0 | 0 | 0 | 0 | 109.5 | I1596 T1617 I1619 V1622 P1624 I1673 | I1596-V1669 HydrophobicContact CD1-CB 3.99Å; I1596-V1669 HydrophobicContact CD1-CG2 3.49Å; I1596-V1669 VanDerWaalsContact CD1-CG2 3.49Å; I1596-V1669 HydrophobicContact CG1-CB 4.27Å; I1596-V1669 HydrophobicContact CG1-CG2 3.36Å; T1617-V1669 HydrophobicContact CG2-CG2 4.46Å; I1619-V1669 HydrophobicContact CD1-CG1 3.76Å; V1622-V1669 HydrophobicContact CB-CG1 4.45Å; V1622-V1669 HydrophobicContact CG1-CG1 3.31Å; P1624-V1669 HydrophobicContact CB-CG2 4.07Å; V1669-I1673 HydrophobicContact CB-CB 4.39Å; V1669-I1673 HydrophobicContact CB-CG2 4.41Å; V1669-I1673 PolarHBondContact N-O 2.62Å |
| 1670 | S | 54.5 | Low | 71.6 | Confident | 52 Ų | 52 | 57.7 Ų | 57.7 | 36% | 0.364 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | 64 | 0 | 0 | 0 | 0 | 109.5 | I1668 N1672 I1673 | I1668-S1670 WeakPolarHBondContact CG2-O 3.43Å; S1670-N1672 PolarHBondContact O-N 2.78Å; S1670-I1673 PolarHBondContact O-N 2.75Å; S1670-I1673 VanDerWaalsContact OG-CD1 3.22Å; S1670-I1673 WeakPolarHBondContact OG-CD1 3.16Å; S1670-I1673 WeakPolarHBondContact OG-CG1 3.43Å; S1670-I1673 PolarHBondContact OG-N 2.98Å | |
| 1671 | V | 51.4 | Low | 72 | Confident | 140 Ų | 140 | 53.6 Ų | 53.6 | 85% | 0.848 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -171.2 | 0 | 0 | 0 | 0 | 109.7 | |||
| 1672 | N | 47.1 | Very low | 71.5 | Confident | 142 Ų | 142 | 55.7 Ų | 55.7 | 76% | 0.759 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -58.4 | -24.3 | 0 | 0 | 0 | 110.4 | S1670 | S1670-N1672 PolarHBondContact O-N 2.78Š| |
| 1673 | I | 56.6 | Low | 70.6 | Confident | 34 Ų | 34 | 54.2 Ų | 54.2 | 17% | 0.174 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 92.9 | 0 | -57.2 | 172 | 0 | 0 | 0 | 108.3 | V1594 I1596 V1669 S1670 | V1594-I1673 HydrophobicContact CB-CD1 3.45Å; V1594-I1673 VanDerWaalsContact CB-CD1 3.45Å; V1594-I1673 HydrophobicContact CB-CG1 4.14Å; V1594-I1673 HydrophobicContact CB-CG2 3.97Å; V1594-I1673 HydrophobicContact CG1-CB 4.05Å; V1594-I1673 HydrophobicContact CG1-CD1 2.9Å; V1594-I1673 HydrophobicContact CG1-CG1 3.8Å; V1594-I1673 HydrophobicContact CG1-CG2 3.27Å; V1594-I1673 HydrophobicContact CG2-CD1 3.38Å; V1594-I1673 HydrophobicContact CG2-CG1 4.32Å; I1596-I1673 HydrophobicContact CD1-CB 3.71Å; I1596-I1673 HydrophobicContact CD1-CG2 2.76Å; I1596-I1673 WeakPolarHBondContact CD1-O 3.25Å; I1596-I1673 HydrophobicContact CG1-CG2 3.42Å; I1596-I1673 VanDerWaalsContact CG1-CG2 3.42Å; V1669-I1673 HydrophobicContact CB-CB 4.39Å; V1669-I1673 HydrophobicContact CB-CG2 4.41Å; V1669-I1673 PolarHBondContact N-O 2.62Å; S1670-I1673 PolarHBondContact O-N 2.75Å; S1670-I1673 VanDerWaalsContact OG-CD1 3.22Å; S1670-I1673 WeakPolarHBondContact OG-CD1 3.16Å; S1670-I1673 WeakPolarHBondContact OG-CG1 3.43Å; S1670-I1673 PolarHBondContact OG-N 2.98Å | |
| 1674 | V | 64.2 | Low | 69.6 | Low | 63 Ų | 63 | 61.4 Ų | 61.4 | 38% | 0.382 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 125 | -175.1 | -180 | 0 | 0 | 0 | 0 | 108.2 | K1666 C1667 I1668 | K1666-V1674 HydrophobicContact CB-CG1 3.59Å; K1666-V1674 HydrophobicContact CD-CG1 3.99Å; K1666-V1674 HydrophobicContact CG-CG1 3.93Å; C1667-V1674 CarbonylContact O-C 3.45Å; C1667-V1674 WeakPolarHBondContact O-CA 3.27Å; I1668-V1674 HydrophobicContact CB-CG2 4.4Å; I1668-V1674 HydrophobicContact CG1-CB 4.46Å; I1668-V1674 HydrophobicContact CG1-CG1 3.91Å; I1668-V1674 HydrophobicContact CG1-CG2 3.93Å; I1668-V1674 HydrophobicContact CG2-CG2 4.06Å |
| 1675 | K | 73.8 | Confident | 68.6 | Low | 87 Ų | 87 | 56.9 Ų | 56.9 | 38% | 0.378 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 132.2 | 170.9 | -152.2 | 169.1 | 178.1 | 177.9 | 0 | 110.1 | I1596 V1598 K1666 C1667 | I1596-K1675 HydrophobicContact CB-CB 4.06Å; I1596-K1675 HydrophobicContact CB-CD 4.26Å; I1596-K1675 HydrophobicContact CG2-CB 3.54Å; I1596-K1675 HydrophobicContact CG2-CD 4.09Å; I1596-K1675 WeakPolarHBondContact O-CD 3.19Å; I1596-K1675 PolarHBondContact O-NZ 2.68Å; V1598-K1675 HydrophobicContact CB-CD 4.19Å; V1598-K1675 HydrophobicContact CG2-CB 3.68Å; V1598-K1675 HydrophobicContact CG2-CD 3.62Å; V1598-K1675 HydrophobicContact CG2-CG 3.85Å; K1666-K1675 CarbonylContact C-O 3.56Å; C1667-K1675 WeakPolarHBondContact CA-O 2.72Å; C1667-K1675 HydrophobicContact CB-CB 4.37Å; C1667-K1675 WeakPolarHBondContact CB-O 3.22Å; C1667-K1675 PolarHBondContact N-O 2.54Å; C1667-K1675 PolarHBondContact O-N 3.45Å |
| 1676 | E | 79.8 | Confident | 67 | Low | 85 Ų | 85 | 60.3 Ų | 60.3 | 40% | 0.397 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 141.7 | -174 | -70.1 | 179.4 | 170.6 | 0 | 0 | 110.2 | F1665 K1666 | F1665-E1676 CarbonylContact O-C 3.52Å; F1665-E1676 VanDerWaalsContact O-C 3.29Å; F1665-E1676 WeakPolarHBondContact O-CA 3.17Å; K1666-E1676 HydrophobicContact CG-CG 3.98Å |
| 1677 | V | 81.7 | Confident | 65.4 | Low | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.006 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 0 | 171.2 | -177.8 | 0 | 0 | 0 | 0 | 109.2 | V1598 G1601 I1603 F1613 F1665 V1679 | V1598-V1677 HydrophobicContact CB-CG2 3.87Å; V1598-V1677 HydrophobicContact CG1-CB 4.03Å; V1598-V1677 HydrophobicContact CG1-CG1 4.37Å; V1598-V1677 HydrophobicContact CG1-CG2 2.65Å; V1598-V1677 HydrophobicContact CG2-CG2 4.19Å; G1601-V1677 CarbonylContact O-C 3.51Å; G1601-V1677 WeakPolarHBondContact O-CA 3.49Å; I1603-V1677 HydrophobicContact CD1-CG1 4.43Å; F1613-V1677 HydrophobicContact CB-CG1 4.4Å; F1613-V1677 HydrophobicContact CD1-CG1 4.17Å; F1613-V1677 HydrophobicContact CD2-CB 4.43Å; F1613-V1677 HydrophobicContact CD2-CG1 4.29Å; F1613-V1677 HydrophobicContact CD2-CG2 3.8Å; F1613-V1677 HydrophobicContact CE2-CB 4.4Å; F1613-V1677 HydrophobicContact CE2-CG2 3.87Å; F1613-V1677 HydrophobicContact CG-CG1 4.04Å; F1613-V1677 HydrophobicContact CG-CG2 4.4Å; F1665-V1677 HydrophobicContact CB-CB 3.79Å; F1665-V1677 HydrophobicContact CB-CG2 4.47Å; F1665-V1677 PolarHBondContact N-O 3.4Å; F1665-V1677 PolarHBondContact O-N 3.05Å; V1677-V1679 HydrophobicContact CG1-CG2 4.29Å |
| 1678 | D | 79.4 | Confident | 64 | Low | 73 Ų | 73 | 66.4 Ų | 66.4 | 39% | 0.39 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 121.7 | 0 | -68.2 | -37.2 | 0 | 0 | 0 | 110.3 | G1601 S1602 I1603 | G1601-D1678 PolarHBondContact O-N 3.07Å; S1602-D1678 CarbonylContact C-O 3.51Å; S1602-D1678 VanDerWaalsContact C-O 3.32Å; S1602-D1678 WeakPolarHBondContact CA-O 3.5Å; I1603-D1678 PolarHBondContact N-O 3.18Å | |
| 1679 | V | 81.6 | Confident | 63.7 | Low | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.006 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 105.8 | 176.8 | 179.7 | 0 | 0 | 0 | 0 | 108.1 | I1603 V1605 F1611 H1663 F1665 V1677 | I1603-V1679 HydrophobicContact CB-CG1 4.45Å; I1603-V1679 HydrophobicContact CB-CG2 4.14Å; I1603-V1679 HydrophobicContact CD1-CG2 4.49Å; I1603-V1679 CarbonylContact O-C 3.31Å; I1603-V1679 WeakPolarHBondContact O-CA 3.35Å; V1605-V1679 HydrophobicContact CG2-CG1 4.05Å; F1611-V1679 HydrophobicContact CE1-CG1 4.21Å; F1611-V1679 HydrophobicContact CE2-CG1 4.28Å; F1611-V1679 HydrophobicContact CE2-CG2 4.08Å; F1611-V1679 HydrophobicContact CZ-CG1 4.08Å; H1663-V1679 PolarHBondContact N-O 2.63Å; H1663-V1679 PolarHBondContact O-N 2.83Å; F1665-V1679 HydrophobicContact CD2-CB 4.39Å; F1665-V1679 HydrophobicContact CD2-CG2 3.6Å; F1665-V1679 HydrophobicContact CE2-CB 4.13Å; F1665-V1679 HydrophobicContact CE2-CG2 3.59Å; V1677-V1679 HydrophobicContact CG1-CG2 4.29Å |
| 1680 | E | 73.2 | Confident | 63.3 | Low | 68 Ų | 68 | 67.4 Ų | 67.4 | 32% | 0.318 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 0 | -179.7 | -165.9 | 175.2 | -175.2 | 0 | 0 | 110.4 | I1603 R1604 V1605 I1682 | I1603-E1680 PolarHBondContact O-N 3.49Å; R1604-E1680 CarbonylContact C-O 3.38Å; R1604-E1680 WeakPolarHBondContact CA-O 3.16Å; R1604-E1680 HydrophobicContact CG-CB 3.95Å; R1604-E1680 IonicContact CZ-OE2 2.8Å; R1604-E1680 IonicContact NE-OE2 3.54Å; R1604-E1680 PolarHBondContact NE-OE2 3.15Å; R1604-E1680 IonicContact NH2-OE1 3.76Å; R1604-E1680 IonicContact NH2-OE2 3.74Å; R1604-E1680 PolarHBondContact NH2-OE2 2.36Å; V1605-E1680 PolarHBondContact N-O 2.99Å; E1680-I1682 HydrophobicContact CG-CG1 4.37Å |
| 1681 | I | 71.4 | Confident | 64.2 | Low | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.01 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 101 | 0 | -55.8 | -151.7 | 0 | 0 | 0 | 109.1 | V1605 P1607 I1657 D1659 I1660 G1661 | V1605-I1681 HydrophobicContact CG2-CG1 4.46Å; V1605-I1681 WeakPolarHBondContact O-CA 3.46Å; P1607-I1681 HydrophobicContact CB-CG2 4.05Å; P1607-I1681 HydrophobicContact CG-CG2 3.7Å; I1657-I1681 HydrophobicContact CB-CD1 3.16Å; I1657-I1681 HydrophobicContact CG1-CD1 4.37Å; I1657-I1681 HydrophobicContact CG2-CD1 3.64Å; I1657-I1681 WeakPolarHBondContact O-CD1 3.24Å; D1659-I1681 WeakPolarHBondContact O-CB 3.42Å; D1659-I1681 WeakPolarHBondContact O-CD1 3.39Å; I1660-I1681 WeakPolarHBondContact CG2-O 3.27Å; G1661-I1681 PolarHBondContact N-O 2.71Å; G1661-I1681 PolarHBondContact O-N 2.6Å | |
| 1682 | I | 57.3 | Low | 65.3 | Low | 73 Ų | 73 | 64.5 Ų | 64.5 | 37% | 0.374 | 36% | 0.355 | S | S | . | . | trans | -91.3 | 0 | -167.1 | -28 | 165.1 | 0 | 0 | 0 | 108.4 | R1604 V1605 P1607 E1680 | R1604-I1682 HydrophobicContact CB-CD1 4.06Å; V1605-I1682 PolarHBondContact O-N 2.97Å; P1607-I1682 WeakPolarHBondContact CD-O 3.17Å; E1680-I1682 HydrophobicContact CG-CG1 4.37Å | ||
| 1683 | S | 54.4 | Low | 66.2 | Low | 47 Ų | 47 | 66.1 Ų | 66.1 | 33% | 0.329 | 35% | 0.351 | S | S | . | . | 0 | 121.1 | 0 | 152.4 | 0 | 0 | 0 | 0 | 109.7 | C1685 | S1683-C1685 VanDerWaalsContact C-N 3.32Å; S1683-C1685 PolarHBondContact OG-N 2.89Å; S1683-C1685 PolarHBondContact OG-O 3.46Å; S1683-C1685 VanDerWaalsContact OG-O 3.06Å | |||
| 1684 | E | 56.6 | Low | 66.7 | Low | 170 Ų | 170 | 67.5 Ų | 67.5 | 79% | 0.794 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -86.2 | 20.3 | 178.3 | -63.2 | -140.2 | 170.3 | 0 | 0 | 110.5 | ||
| 1685 | C | 61.7 | Low | 66.6 | Low | 17 Ų | 17 | 66.3 Ų | 66.3 | 12% | 0.115 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -124.4 | 139 | 169 | -67.9 | 0 | 0 | 0 | 0 | 110.3 | S1683 C1697 | S1683-C1685 VanDerWaalsContact C-N 3.32Å; S1683-C1685 PolarHBondContact OG-N 2.89Å; S1683-C1685 PolarHBondContact OG-O 3.46Å; S1683-C1685 VanDerWaalsContact OG-O 3.06Å; C1685-C1697 HydrophobicContact CB-CB 4.09Å; C1685-C1697 WeakPolarHBondContact CB-SG 2.83Å; C1685-C1697 CovalentContact SG-SG 2.22Å; C1685-C1697 PolarHBondContact SG-SG 3.08Å |
| 1686 | P | 54 | Low | 66.3 | Low | 72 Ų | 72 | 67.2 Ų | 67.2 | 47% | 0.468 | 37% | 0.37 | S | S | . | . | trans | -57.5 | 0 | -177.6 | -7.3 | 11.2 | 0 | 0 | 0 | 111.8 | G1688 Q1689 | P1686-G1688 PolarHBondContact O-N 2.83Å; P1686-Q1689 WeakPolarHBondContact O-CB 3.09Å; P1686-Q1689 PolarHBondContact O-N 2.73Å | ||
| 1687 | P | 50.1 | Low | 65.9 | Low | 139 Ų | 139 | 65.3 Ų | 65.3 | 90% | 0.903 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 117 | 0 | -1.2 | 8.6 | 0 | 0 | 0 | 111.8 | |||
| 1688 | G | 52.3 | Low | 65.2 | Low | 54 Ų | 54 | 67.1 Ų | 67.1 | 56% | 0.557 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 110.4 | 0 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | P1686 R1700 | P1686-G1688 PolarHBondContact O-N 2.83Å; G1688-R1700 PolarHBondContact O-N 3.34Å |
| 1689 | Q | 70.8 | Confident | 64.6 | Low | 72 Ų | 72 | 66.7 Ų | 66.7 | 34% | 0.336 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 146.4 | 0 | -68.6 | -170.9 | 4.4 | 0 | 0 | 109.5 | P1686 C1697 L1698 | P1686-Q1689 WeakPolarHBondContact O-CB 3.09Å; P1686-Q1689 PolarHBondContact O-N 2.73Å; Q1689-C1697 HydrophobicContact CB-CB 4.28Å; Q1689-C1697 VanDerWaalsContact OE1-CB 3.23Å; Q1689-C1697 PolarHBondContact OE1-O 3.45Å; Q1689-L1698 CarbonylContact C-O 3.51Å; Q1689-L1698 WeakPolarHBondContact CA-O 3.33Å; Q1689-L1698 WeakPolarHBondContact CB-O 3.43Å | |
| 1690 | A | 58.4 | Low | 63.6 | Low | 23 Ų | 23 | 74.6 Ų | 74.6 | 19% | 0.19 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 144.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | C1697 L1698 R1700 F1703 | A1690-C1697 WeakPolarHBondContact O-CA 3.48Å; A1690-L1698 PolarHBondContact N-O 3.41Å; A1690-L1698 PolarHBondContact O-N 2.63Å; A1690-R1700 HydrophobicContact CB-CG 3.89Å; A1690-F1703 HydrophobicContact CB-CD2 3.92Å; A1690-F1703 HydrophobicContact CB-CE1 4.37Å; A1690-F1703 HydrophobicContact CB-CE2 3.62Å; A1690-F1703 HydrophobicContact CB-CG 4.41Å; A1690-F1703 HydrophobicContact CB-CZ 3.88Å; A1690-F1703 WeakPolarHBondContact O-CE2 3.37Å; A1690-F1703 WeakPolarHBondContact O-CZ 3.03Å |
| 1691 | K | 73.2 | Confident | 63.2 | Low | 129 Ų | 129 | 75.7 Ų | 75.7 | 56% | 0.561 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 126.5 | -172.4 | -170.8 | 174.8 | -177.4 | 178.2 | 0 | 109.8 | E1696 | K1691-E1696 CarbonylContact C-O 3.45Å; K1691-E1696 WeakPolarHBondContact CA-O 3.42Å |
| 1692 | C | 73.3 | Confident | 63.1 | Low | 2 Ų | 2 | 77.3 Ų | 77.3 | 1% | 0.014 | 44% | 0.436 | C | S | . | . | trans | -67.7 | 0 | 167.6 | -81.2 | 0 | 0 | 0 | 0 | 110 | S1694 G1695 E1696 C1710 | C1692-S1694 PolarHBondContact O-N 2.69Å; C1692-S1694 VanDerWaalsContact O-N 3.13Å; C1692-G1695 PolarHBondContact O-N 3.23Å; C1692-E1696 HydrophobicContact CB-CB 4.28Å; C1692-E1696 WeakPolarHBondContact CB-O 3.36Å; C1692-E1696 PolarHBondContact N-O 2.81Å; C1692-C1710 VanDerWaalsContact CA-SG 3.6Å; C1692-C1710 HydrophobicContact CB-CB 3.77Å; C1692-C1710 WeakPolarHBondContact CB-SG 3.24Å; C1692-C1710 VanDerWaalsContact SG-CA 3.59Å; C1692-C1710 WeakPolarHBondContact SG-CB 2.19Å; C1692-C1710 CovalentContact SG-SG 1.23Å; C1692-C1710 PolarHBondContact SG-SG 2.75Å | ||
| 1693 | R | 66.6 | Low | 63.7 | Low | 177 Ų | 177 | 76.2 Ų | 76.2 | 67% | 0.668 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | -23 | 0 | -166 | -177.3 | -69.5 | -173.5 | 1.7 | 110.8 | G1695 D1712 S1714 D1717 | R1693-G1695 PolarHBondContact O-N 3.03Å; R1693-D1712 WeakPolarHBondContact CA-OD2 3.32Å; R1693-D1712 WeakPolarHBondContact CB-OD2 3.24Å; R1693-D1712 PolarHBondContact N-OD2 3.24Å; R1693-S1714 VanDerWaalsContact CB-CB 3.47Å; R1693-S1714 WeakPolarHBondContact CB-OG 3.07Å; R1693-D1717 IonicContact CZ-OD2 3.8Å; R1693-D1717 IonicContact NH2-OD2 2.83Å; R1693-D1717 PolarHBondContact NH2-OD2 2.95Å | |
| 1694 | S | 67.7 | Low | 64.3 | Low | 62 Ų | 62 | 76.3 Ų | 76.3 | 43% | 0.434 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -3.2 | 177.2 | 63.3 | 0 | 0 | 0 | 0 | 110.9 | C1692 D1712 | C1692-S1694 PolarHBondContact O-N 2.69Å; C1692-S1694 VanDerWaalsContact O-N 3.13Å; S1694-D1712 PolarHBondContact N-OD2 3.19Å |
| 1695 | G | 61.9 | Low | 64.5 | Low | 39 Ų | 39 | 71.8 Ų | 71.8 | 40% | 0.402 | 41% | 0.41 | S | S | . | . | S | Bend | trans | 104.1 | -3.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | C1692 R1693 | C1692-G1695 PolarHBondContact O-N 3.23Å; R1693-G1695 PolarHBondContact O-N 3.03Å |
| 1696 | E | 67.8 | Low | 64.3 | Low | 106 Ų | 106 | 74 Ų | 74 | 50% | 0.495 | 44% | 0.435 | S | S | . | . | trans | -86.8 | 139.5 | 179 | -63 | -149.1 | 171.6 | 0 | 0 | 110.8 | K1691 C1692 | K1691-E1696 CarbonylContact C-O 3.45Å; K1691-E1696 WeakPolarHBondContact CA-O 3.42Å; C1692-E1696 HydrophobicContact CB-CB 4.28Å; C1692-E1696 WeakPolarHBondContact CB-O 3.36Å; C1692-E1696 PolarHBondContact N-O 2.81Å | ||
| 1697 | C | 69.6 | Low | 64.4 | Low | 44 Ų | 44 | 77.8 Ų | 77.8 | 30% | 0.297 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 0 | 179.8 | -70.5 | 0 | 0 | 0 | 0 | 109.8 | C1685 Q1689 A1690 | C1685-C1697 HydrophobicContact CB-CB 4.09Å; C1685-C1697 WeakPolarHBondContact CB-SG 2.83Å; C1685-C1697 CovalentContact SG-SG 2.22Å; C1685-C1697 PolarHBondContact SG-SG 3.08Å; Q1689-C1697 HydrophobicContact CB-CB 4.28Å; Q1689-C1697 VanDerWaalsContact OE1-CB 3.23Å; Q1689-C1697 PolarHBondContact OE1-O 3.45Å; A1690-C1697 WeakPolarHBondContact O-CA 3.48Å |
| 1698 | L | 68.8 | Low | 65.6 | Low | 39 Ų | 39 | 78.4 Ų | 78.4 | 20% | 0.204 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -67.2 | 170.3 | 0 | 0 | 0 | 110.4 | Q1689 A1690 R1700 V1702 F1703 D1709 | Q1689-L1698 CarbonylContact C-O 3.51Å; Q1689-L1698 WeakPolarHBondContact CA-O 3.33Å; Q1689-L1698 WeakPolarHBondContact CB-O 3.43Å; A1690-L1698 PolarHBondContact N-O 3.41Å; A1690-L1698 PolarHBondContact O-N 2.63Å; L1698-R1700 PolarHBondContact O-N 2.99Å; L1698-V1702 HydrophobicContact CB-CG2 4.35Å; L1698-F1703 HydrophobicContact CB-CE2 3.79Å; L1698-D1709 HydrophobicContact CD1-CB 3.98Å | |
| 1699 | P | 66.2 | Low | 66.5 | Low | 64 Ų | 64 | 78.7 Ų | 78.7 | 42% | 0.416 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 126.6 | 0 | -16.1 | 22.3 | 0 | 0 | 0 | 111.6 | A1701 V1702 | P1699-A1701 PolarHBondContact O-N 2.74Å; P1699-V1702 HydrophobicContact CB-CG2 3.75Å; P1699-V1702 HydrophobicContact CG-CG2 3.94Å; P1699-V1702 WeakPolarHBondContact O-CG2 2.85Å; P1699-V1702 PolarHBondContact O-N 2.7Å | |
| 1700 | R | 61.1 | Low | 66.6 | Low | 168 Ų | 168 | 75.5 Ų | 75.5 | 63% | 0.634 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -47.9 | 0 | -172.6 | -98.4 | 169.4 | 118.5 | 109.5 | -1.6 | 111.4 | G1688 A1690 L1698 V1702 F1703 | G1688-R1700 PolarHBondContact O-N 3.34Å; A1690-R1700 HydrophobicContact CB-CG 3.89Å; L1698-R1700 PolarHBondContact O-N 2.99Å; R1700-V1702 PolarHBondContact O-N 2.72Å; R1700-V1702 VanDerWaalsContact O-N 3.1Å; R1700-F1703 PolarHBondContact O-N 2.66Å; R1700-F1703 VanDerWaalsContact O-N 3.13Å |
| 1701 | A | 64.9 | Low | 67.2 | Low | 90 Ų | 90 | 78.9 Ų | 78.9 | 74% | 0.744 | 43% | 0.427 | S | S | * | . | G | 310 helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.7 | P1699 | P1699-A1701 PolarHBondContact O-N 2.74Š| |
| 1702 | V | 69.3 | Low | 67.1 | Low | 36 Ų | 36 | 75.3 Ų | 75.3 | 22% | 0.218 | 41% | 0.413 | C | S | . | . | G | 310 helix | 0 | -2.7 | 0 | -125 | 0 | 0 | 0 | 0 | 108.6 | L1698 P1699 R1700 D1705 D1709 | L1698-V1702 HydrophobicContact CB-CG2 4.35Å; P1699-V1702 HydrophobicContact CB-CG2 3.75Å; P1699-V1702 HydrophobicContact CG-CG2 3.94Å; P1699-V1702 WeakPolarHBondContact O-CG2 2.85Å; P1699-V1702 PolarHBondContact O-N 2.7Å; R1700-V1702 PolarHBondContact O-N 2.72Å; R1700-V1702 VanDerWaalsContact O-N 3.1Å; V1702-D1705 VanDerWaalsContact O-CG 3.29Å; V1702-D1705 VanDerWaalsContact O-OD1 3.05Å; V1702-D1709 HydrophobicContact CG1-CB 4.28Å; V1702-D1709 WeakPolarHBondContact CG1-OD2 3.39Å; V1702-D1709 VanDerWaalsContact O-OD2 3.08Å | |
| 1703 | F | 69.7 | Low | 66.8 | Low | 51 Ų | 51 | 83 Ų | 83 | 22% | 0.224 | 44% | 0.442 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 0 | 175.5 | -82.9 | -101.4 | 0 | 0 | 0 | 110.4 | A1690 L1698 R1700 D1715 | A1690-F1703 HydrophobicContact CB-CD2 3.92Å; A1690-F1703 HydrophobicContact CB-CE1 4.37Å; A1690-F1703 HydrophobicContact CB-CE2 3.62Å; A1690-F1703 HydrophobicContact CB-CG 4.41Å; A1690-F1703 HydrophobicContact CB-CZ 3.88Å; A1690-F1703 WeakPolarHBondContact O-CE2 3.37Å; A1690-F1703 WeakPolarHBondContact O-CZ 3.03Å; L1698-F1703 HydrophobicContact CB-CE2 3.79Å; R1700-F1703 PolarHBondContact O-N 2.66Å; R1700-F1703 VanDerWaalsContact O-N 3.13Å; F1703-D1715 HydrophobicContact CD1-CB 3.69Å; F1703-D1715 HydrophobicContact CE1-CB 3.79Å; F1703-D1715 HydrophobicContact CG-CB 4.19Å; F1703-D1715 HydrophobicContact CZ-CB 4.37Å |
| 1704 | C | 66.8 | Low | 66.8 | Low | 49 Ų | 49 | 75.3 Ų | 75.3 | 33% | 0.331 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 30.1 | 0 | -67.1 | 0 | 0 | 0 | 0 | 110.3 | C1721 | C1704-C1721 WeakPolarHBondContact CA-SG 3.24Å; C1704-C1721 HydrophobicContact CB-CB 4.43Å; C1704-C1721 WeakPolarHBondContact CB-SG 2.86Å; C1704-C1721 VanDerWaalsContact SG-CA 3.58Å; C1704-C1721 WeakPolarHBondContact SG-CB 3.05Å; C1704-C1721 CovalentContact SG-SG 1.54Å; C1704-C1721 PolarHBondContact SG-SG 3.15Å | |
| 1705 | D | 59.4 | Low | 66.6 | Low | 75 Ų | 75 | 72.5 Ų | 72.5 | 40% | 0.401 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -103.3 | 0 | -177.5 | 63.3 | -11.1 | 0 | 0 | 0 | 110 | V1702 K1707 E1716 | V1702-D1705 VanDerWaalsContact O-CG 3.29Å; V1702-D1705 VanDerWaalsContact O-OD1 3.05Å; D1705-K1707 VanDerWaalsContact C-N 3.26Å; D1705-K1707 PolarHBondContact O-N 2.99Å; D1705-K1707 PolarHBondContact OD1-N 2.93Å; D1705-K1707 VanDerWaalsContact OD1-N 3.14Å; D1705-E1716 PolarHBondContact N-OE1 3.14Å; D1705-E1716 VanDerWaalsContact OD1-OE1 3.1Å |
| 1706 | G | 59 | Low | 66.6 | Low | 62 Ų | 62 | 72.6 Ų | 72.6 | 64% | 0.639 | 39% | 0.386 | S | S | * | . | S | Bend | 0 | 1.1 | 0 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1716 | G1706-E1716 WeakPolarHBondContact CA-OE1 3.33Å; G1706-E1716 WeakPolarHBondContact CA-OE2 3.39Å; G1706-E1716 VanDerWaalsContact N-CD 3.34Å; G1706-E1716 PolarHBondContact N-OE1 3.28Å; G1706-E1716 PolarHBondContact N-OE2 3.23Å | |
| 1707 | K | 56.2 | Low | 66 | Low | 152 Ų | 152 | 69.4 Ų | 69.4 | 66% | 0.661 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -120.7 | 130.9 | 177.2 | -99.3 | -176.2 | -177.9 | 178.5 | 0 | 109.7 | D1705 D1709 E1716 | D1705-K1707 VanDerWaalsContact C-N 3.26Å; D1705-K1707 PolarHBondContact O-N 2.99Å; D1705-K1707 PolarHBondContact OD1-N 2.93Å; D1705-K1707 VanDerWaalsContact OD1-N 3.14Å; K1707-D1709 PolarHBondContact O-N 3.22Å; K1707-D1709 VanDerWaalsContact O-N 3.16Å; K1707-E1716 PolarHBondContact N-OE1 3.43Å; K1707-E1716 WeakPolarHBondContact O-CG 3.39Å |
| 1708 | Y | 74.6 | Confident | 65.2 | Low | 152 Ų | 152 | 72.1 Ų | 72.1 | 60% | 0.596 | 39% | 0.389 | S | S | * | . | trans | -71.6 | 97.2 | 178.5 | -61.3 | -56.5 | 0 | 0 | 0 | 110.3 | R1713 E1716 | Y1708-R1713 HydrophobicContact CD1-CB 4Å; Y1708-R1713 HydrophobicContact CD1-CG 4.19Å; Y1708-R1713 HydrophobicContact CE1-CB 4.46Å; Y1708-R1713 HydrophobicContact CG-CG 4.24Å; Y1708-E1716 HydrophobicContact CD1-CB 3.72Å; Y1708-E1716 HydrophobicContact CD1-CG 3.6Å; Y1708-E1716 HydrophobicContact CE1-CB 3.59Å; Y1708-E1716 HydrophobicContact CE1-CG 3.91Å | ||
| 1709 | D | 71.8 | Confident | 64.1 | Low | 60 Ų | 60 | 80.7 Ų | 80.7 | 32% | 0.321 | 42% | 0.419 | S | S | . | . | trans | -98.6 | 0 | -176.2 | -65.6 | -56.3 | 0 | 0 | 0 | 109.9 | L1698 V1702 K1707 D1715 | L1698-D1709 HydrophobicContact CD1-CB 3.98Å; V1702-D1709 HydrophobicContact CG1-CB 4.28Å; V1702-D1709 WeakPolarHBondContact CG1-OD2 3.39Å; V1702-D1709 VanDerWaalsContact O-OD2 3.08Å; K1707-D1709 PolarHBondContact O-N 3.22Å; K1707-D1709 VanDerWaalsContact O-N 3.16Å; D1709-D1715 WeakPolarHBondContact CB-OD2 3.39Å; D1709-D1715 VanDerWaalsContact N-CG 3.34Å; D1709-D1715 PolarHBondContact N-OD1 3Å; D1709-D1715 PolarHBondContact N-OD2 3.31Å | ||
| 1710 | C | 72.3 | Confident | 63.1 | Low | 6 Ų | 6 | 82.3 Ų | 82.3 | 4% | 0.041 | 43% | 0.431 | C | S | . | . | S | Bend | 0 | 0 | 0 | -84.2 | 0 | 0 | 0 | 0 | 109.5 | C1692 D1712 R1713 D1715 | C1692-C1710 VanDerWaalsContact CA-SG 3.6Å; C1692-C1710 HydrophobicContact CB-CB 3.77Å; C1692-C1710 WeakPolarHBondContact CB-SG 3.24Å; C1692-C1710 VanDerWaalsContact SG-CA 3.59Å; C1692-C1710 WeakPolarHBondContact SG-CB 2.19Å; C1692-C1710 CovalentContact SG-SG 1.23Å; C1692-C1710 PolarHBondContact SG-SG 2.75Å; C1710-D1712 PolarHBondContact O-N 2.77Å; C1710-R1713 WeakPolarHBondContact O-CA 3.36Å; C1710-R1713 PolarHBondContact O-N 3.26Å; C1710-D1715 HydrophobicContact CB-CB 4.03Å; C1710-D1715 PolarHBondContact N-OD1 3.12Å | |
| 1711 | S | 71.2 | Confident | 62.5 | Low | 94 Ų | 94 | 76.1 Ų | 76.1 | 66% | 0.657 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -28.6 | 0 | 0 | 0 | 0 | 110.9 | |||
| 1712 | D | 71.7 | Confident | 61.5 | Low | 53 Ų | 53 | 77.3 Ų | 77.3 | 28% | 0.283 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 8.6 | 0 | 77.9 | -7.9 | 0 | 0 | 0 | 110.8 | R1693 S1694 C1710 S1714 | R1693-D1712 WeakPolarHBondContact CA-OD2 3.32Å; R1693-D1712 WeakPolarHBondContact CB-OD2 3.24Å; R1693-D1712 PolarHBondContact N-OD2 3.24Å; S1694-D1712 PolarHBondContact N-OD2 3.19Å; C1710-D1712 PolarHBondContact O-N 2.77Å; D1712-S1714 PolarHBondContact O-N 2.89Å; D1712-S1714 WeakPolarHBondContact OD1-CA 3.34Å; D1712-S1714 WeakPolarHBondContact OD1-CB 3.39Å; D1712-S1714 PolarHBondContact OD1-N 3.39Å; D1712-S1714 PolarHBondContact OD1-OG 3.17Å; D1712-S1714 VanDerWaalsContact OD2-CB 3.32Å; D1712-S1714 WeakPolarHBondContact OD2-CB 3.23Å; D1712-S1714 PolarHBondContact OD2-OG 3.33Å | |
| 1713 | R | 66.2 | Low | 60.4 | Low | 164 Ų | 164 | 78.8 Ų | 78.8 | 62% | 0.619 | 42% | 0.423 | S | S | * | . | trans | 63.9 | 21.1 | 175.5 | -60 | -175.3 | -177.8 | -172.6 | -0.9 | 111.2 | Y1708 C1710 D1715 E1716 | Y1708-R1713 HydrophobicContact CD1-CB 4Å; Y1708-R1713 HydrophobicContact CD1-CG 4.19Å; Y1708-R1713 HydrophobicContact CE1-CB 4.46Å; Y1708-R1713 HydrophobicContact CG-CG 4.24Å; C1710-R1713 WeakPolarHBondContact O-CA 3.36Å; C1710-R1713 PolarHBondContact O-N 3.26Å; R1713-D1715 PolarHBondContact O-N 2.95Å; R1713-E1716 PolarHBondContact O-N 2.68Å | ||
| 1714 | S | 66.3 | Low | 59.8 | Low | 16 Ų | 16 | 80.1 Ų | 80.1 | 11% | 0.112 | 44% | 0.436 | C | S | . | . | G | 310 helix | trans | -73.3 | -22.7 | -174.2 | -60 | 0 | 0 | 0 | 0 | 110.4 | R1693 D1712 E1716 D1717 | R1693-S1714 VanDerWaalsContact CB-CB 3.47Å; R1693-S1714 WeakPolarHBondContact CB-OG 3.07Å; D1712-S1714 PolarHBondContact O-N 2.89Å; D1712-S1714 WeakPolarHBondContact OD1-CA 3.34Å; D1712-S1714 WeakPolarHBondContact OD1-CB 3.39Å; D1712-S1714 PolarHBondContact OD1-N 3.39Å; D1712-S1714 PolarHBondContact OD1-OG 3.17Å; D1712-S1714 VanDerWaalsContact OD2-CB 3.32Å; D1712-S1714 WeakPolarHBondContact OD2-CB 3.23Å; D1712-S1714 PolarHBondContact OD2-OG 3.33Å; S1714-E1716 PolarHBondContact O-N 3.47Å; S1714-E1716 VanDerWaalsContact O-N 3.15Å; S1714-D1717 PolarHBondContact O-N 2.81Å |
| 1715 | D | 62.8 | Low | 59.9 | Low | 3 Ų | 3 | 78 Ų | 78 | 2% | 0.016 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -66.9 | -7.6 | -179.3 | 68.5 | -39.6 | 0 | 0 | 0 | 111.1 | F1703 D1709 C1710 R1713 | F1703-D1715 HydrophobicContact CD1-CB 3.69Å; F1703-D1715 HydrophobicContact CE1-CB 3.79Å; F1703-D1715 HydrophobicContact CG-CB 4.19Å; F1703-D1715 HydrophobicContact CZ-CB 4.37Å; D1709-D1715 WeakPolarHBondContact CB-OD2 3.39Å; D1709-D1715 VanDerWaalsContact N-CG 3.34Å; D1709-D1715 PolarHBondContact N-OD1 3Å; D1709-D1715 PolarHBondContact N-OD2 3.31Å; C1710-D1715 HydrophobicContact CB-CB 4.03Å; C1710-D1715 PolarHBondContact N-OD1 3.12Å; R1713-D1715 PolarHBondContact O-N 2.95Å |
| 1716 | E | 61.9 | Low | 60.6 | Low | 40 Ų | 40 | 78.1 Ų | 78.1 | 19% | 0.187 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -125.3 | 16.8 | 178.8 | -61.7 | -89.5 | 169.2 | 0 | 0 | 109.9 | D1705 G1706 K1707 Y1708 R1713 S1714 P1718 | D1705-E1716 PolarHBondContact N-OE1 3.14Å; D1705-E1716 VanDerWaalsContact OD1-OE1 3.1Å; G1706-E1716 WeakPolarHBondContact CA-OE1 3.33Å; G1706-E1716 WeakPolarHBondContact CA-OE2 3.39Å; G1706-E1716 VanDerWaalsContact N-CD 3.34Å; G1706-E1716 PolarHBondContact N-OE1 3.28Å; G1706-E1716 PolarHBondContact N-OE2 3.23Å; K1707-E1716 PolarHBondContact N-OE1 3.43Å; K1707-E1716 WeakPolarHBondContact O-CG 3.39Å; Y1708-E1716 HydrophobicContact CD1-CB 3.72Å; Y1708-E1716 HydrophobicContact CD1-CG 3.6Å; Y1708-E1716 HydrophobicContact CE1-CB 3.59Å; Y1708-E1716 HydrophobicContact CE1-CG 3.91Å; R1713-E1716 PolarHBondContact O-N 2.68Å; S1714-E1716 PolarHBondContact O-N 3.47Å; S1714-E1716 VanDerWaalsContact O-N 3.15Å; E1716-P1718 VanDerWaalsContact O-CD 3.23Å; E1716-P1718 WeakPolarHBondContact O-CD 3.11Å |
| 1717 | D | 56.5 | Low | 61.5 | Low | 40 Ų | 40 | 76.1 Ų | 76.1 | 21% | 0.214 | 40% | 0.395 | C | S | . | . | trans | -70.6 | 123.4 | 176.8 | -171.3 | -5.2 | 0 | 0 | 0 | 110.9 | R1693 S1714 R1719 S1720 C1721 | R1693-D1717 IonicContact CZ-OD2 3.8Å; R1693-D1717 IonicContact NH2-OD2 2.83Å; R1693-D1717 PolarHBondContact NH2-OD2 2.95Å; S1714-D1717 PolarHBondContact O-N 2.81Å; D1717-R1719 PolarHBondContact O-N 3.27Å; D1717-R1719 PolarHBondContact OD1-N 2.64Å; D1717-S1720 PolarHBondContact O-N 2.64Å; D1717-C1721 PolarHBondContact O-N 2.54Å | ||
| 1718 | P | 51.9 | Low | 62.3 | Low | 100 Ų | 100 | 71.8 Ų | 71.8 | 65% | 0.649 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 0 | -175.1 | -8.6 | 11.1 | 0 | 0 | 0 | 111.6 | E1716 S1720 | E1716-P1718 VanDerWaalsContact O-CD 3.23Å; E1716-P1718 WeakPolarHBondContact O-CD 3.11Å; P1718-S1720 VanDerWaalsContact C-N 3.3Å; P1718-S1720 PolarHBondContact O-N 2.82Å |
| 1719 | R | 47.4 | Very low | 62.3 | Low | 219 Ų | 219 | 67.8 Ų | 67.8 | 83% | 0.826 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | -16.3 | 0 | -72.6 | -176.4 | -176.1 | 174.3 | -0.6 | 110.8 | D1717 | D1717-R1719 PolarHBondContact O-N 3.27Å; D1717-R1719 PolarHBondContact OD1-N 2.64Å | |
| 1720 | S | 44.8 | Very low | 62.1 | Low | 98 Ų | 98 | 68.8 Ų | 68.8 | 69% | 0.685 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | 0 | 177.1 | -74 | 0 | 0 | 0 | 0 | 110.6 | D1717 P1718 V1722 | D1717-S1720 PolarHBondContact O-N 2.64Å; P1718-S1720 VanDerWaalsContact C-N 3.3Å; P1718-S1720 PolarHBondContact O-N 2.82Å; S1720-V1722 PolarHBondContact O-N 2.99Å |
| 1721 | C | 47.3 | Very low | 62.2 | Low | 39 Ų | 39 | 73 Ų | 73 | 26% | 0.264 | 41% | 0.412 | S | S | . | . | 0 | 71.9 | 0 | -108 | 0 | 0 | 0 | 0 | 109.7 | C1704 D1717 | C1704-C1721 WeakPolarHBondContact CA-SG 3.24Å; C1704-C1721 HydrophobicContact CB-CB 4.43Å; C1704-C1721 WeakPolarHBondContact CB-SG 2.86Å; C1704-C1721 VanDerWaalsContact SG-CA 3.58Å; C1704-C1721 WeakPolarHBondContact SG-CB 3.05Å; C1704-C1721 CovalentContact SG-SG 1.54Å; C1704-C1721 PolarHBondContact SG-SG 3.15Å; D1717-C1721 PolarHBondContact O-N 2.54Å | |||
| 1722 | V | 44.2 | Very low | 62.7 | Low | 114 Ų | 114 | 69.5 Ų | 69.5 | 69% | 0.691 | 39% | 0.386 | S | S | * | . | trans | -105.1 | 0 | -175.2 | -166.8 | 0 | 0 | 0 | 0 | 108.6 | S1720 | S1720-V1722 PolarHBondContact O-N 2.99Š| ||
| 1723 | S | 47.5 | Very low | 62.6 | Low | 67 Ų | 67 | 73.1 Ų | 73.1 | 47% | 0.469 | 40% | 0.404 | S | S | . | . | 0 | 0 | 0 | 48.6 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 1724 | T | 55.4 | Low | 63 | Low | 80 Ų | 80 | 65.7 Ų | 65.7 | 49% | 0.491 | 38% | 0.377 | S | S | . | . | 0 | 0 | 0 | 36 | 0 | 0 | 0 | 0 | 109.3 | V1747 | T1724-V1747 WeakPolarHBondContact O-CG2 3.44Å; T1724-V1747 PolarHBondContact O-N 2.23Å | |||
| 1725 | I | 69.7 | Low | 63 | Low | 5 Ų | 5 | 71.7 Ų | 71.7 | 3% | 0.026 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -64.4 | 171.3 | 0 | 0 | 0 | 109 | I1727 C1796 V1798 A1801 P1802 K1804 | I1725-I1727 HydrophobicContact CG2-CG1 4.39Å; I1725-C1796 HydrophobicContact CG2-CB 4.04Å; I1725-C1796 WeakPolarHBondContact CG2-SG 3.48Å; I1725-V1798 HydrophobicContact CD1-CB 3.75Å; I1725-V1798 HydrophobicContact CD1-CG2 3.7Å; I1725-V1798 HydrophobicContact CG1-CB 3.79Å; I1725-V1798 HydrophobicContact CG1-CG2 3.5Å; I1725-V1798 VanDerWaalsContact CG1-CG2 3.5Å; I1725-A1801 HydrophobicContact CD1-CB 3.89Å; I1725-A1801 HydrophobicContact CG1-CB 3.79Å; I1725-P1802 VanDerWaalsContact CD1-O 3.29Å; I1725-P1802 WeakPolarHBondContact CD1-O 3.08Å; I1725-K1804 HydrophobicContact CG2-CB 4.4Å; I1725-K1804 WeakPolarHBondContact O-CD 3.45Å | |
| 1726 | I | 74.3 | Confident | 63.2 | Low | 77 Ų | 77 | 73.7 Ų | 73.7 | 40% | 0.395 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -59.4 | 172.7 | 0 | 0 | 0 | 109.3 | C1744 K1745 V1747 | I1726-C1744 WeakPolarHBondContact O-CA 3.13Å; I1726-K1745 HydrophobicContact CB-CB 4.37Å; I1726-K1745 PolarHBondContact N-O 3.3Å; I1726-K1745 PolarHBondContact O-N 3.05Å; I1726-V1747 HydrophobicContact CD1-CG1 4.21Å; I1726-V1747 HydrophobicContact CD1-CG2 4.3Å; I1726-V1747 HydrophobicContact CG1-CG2 4.32Å | |
| 1727 | I | 77.6 | Confident | 63.1 | Low | 19 Ų | 19 | 78 Ų | 78 | 10% | 0.097 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 123.4 | 0 | -64.2 | 172.7 | 0 | 0 | 0 | 108.5 | I1725 P1729 E1743 C1796 K1804 I1806 | I1725-I1727 HydrophobicContact CG2-CG1 4.39Å; I1727-P1729 WeakPolarHBondContact CG2-O 3.24Å; I1727-E1743 WeakPolarHBondContact CA-O 3.36Å; I1727-C1796 HydrophobicContact CD1-CB 3.65Å; I1727-C1796 HydrophobicContact CG1-CB 4Å; I1727-K1804 VanDerWaalsContact CD1-C 3.48Å; I1727-K1804 HydrophobicContact CD1-CB 3.34Å; I1727-K1804 VanDerWaalsContact CD1-O 3.31Å; I1727-K1804 WeakPolarHBondContact CD1-O 2.68Å; I1727-K1804 HydrophobicContact CG1-CB 4.17Å; I1727-I1806 HydrophobicContact CG2-CB 4Å; I1727-I1806 HydrophobicContact CG2-CD1 3.97Å; I1727-I1806 HydrophobicContact CG2-CG1 4.49Å | |
| 1728 | T | 72.5 | Confident | 64.1 | Low | 61 Ų | 61 | 80.5 Ų | 80.5 | 37% | 0.374 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 124.3 | 177 | 27.2 | 0 | 0 | 0 | 0 | 109.6 | E1743 | T1728-E1743 PolarHBondContact N-O 2.78Å; T1728-E1743 WeakPolarHBondContact O-CG 3.31Å; T1728-E1743 PolarHBondContact O-N 3.45Å |
| 1729 | P | 74.6 | Confident | 65.2 | Low | 68 Ų | 68 | 79.4 Ų | 79.4 | 44% | 0.442 | 44% | 0.439 | S | S | . | . | S | Bend | cis | -83.2 | 0 | -10.7 | 24.7 | -23.5 | 0 | 0 | 0 | 111.5 | I1727 I1732 I1806 | I1727-P1729 WeakPolarHBondContact CG2-O 3.24Å; P1729-I1732 HydrophobicContact CG-CD1 4.35Å; P1729-I1732 HydrophobicContact CG-CG1 3.93Å; P1729-I1806 WeakPolarHBondContact O-CD1 3.46Å |
| 1730 | S | 67.3 | Low | 67.2 | Low | 82 Ų | 82 | 69.9 Ų | 69.9 | 57% | 0.573 | 40% | 0.404 | S | S | * | . | S | Bend | 0 | 0 | 0 | 53 | 0 | 0 | 0 | 0 | 110.8 | I1806 | S1730-I1806 VanDerWaalsContact O-CG1 3.24Å; S1730-I1806 WeakPolarHBondContact O-CG1 3.49Å | |
| 1731 | T | 74.6 | Confident | 69.3 | Low | 94 Ų | 94 | 70 Ų | 70 | 58% | 0.577 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | 0 | 135 | 0 | 4.4 | 0 | 0 | 0 | 0 | 109.2 | V1807 | T1731-V1807 HydrophobicContact CG2-CB 4.17Å | |
| 1732 | I | 81.8 | Confident | 71.4 | Confident | 21 Ų | 21 | 68.4 Ų | 68.4 | 11% | 0.108 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 121.6 | 179.8 | -67 | 173.5 | 0 | 0 | 0 | 108.6 | P1729 F1740 Q1741 F1742 I1806 V1807 V1808 Q1809 | P1729-I1732 HydrophobicContact CG-CD1 4.35Å; P1729-I1732 HydrophobicContact CG-CG1 3.93Å; I1732-F1740 HydrophobicContact CD1-CD2 4Å; I1732-F1740 HydrophobicContact CG2-CB 3.8Å; I1732-F1740 HydrophobicContact CG2-CD2 4.34Å; I1732-F1740 HydrophobicContact CG2-CG 4.16Å; I1732-Q1741 WeakPolarHBondContact CD1-O 3.38Å; I1732-F1742 HydrophobicContact CD1-CB 3.75Å; I1732-F1742 HydrophobicContact CD1-CD1 4.1Å; I1732-F1742 HydrophobicContact CD1-CG 4.38Å; I1732-I1806 HydrophobicContact CD1-CD1 4.03Å; I1732-I1806 HydrophobicContact CG1-CD1 4.22Å; I1732-V1807 PolarHBondContact N-O 2.72Å; I1732-V1808 HydrophobicContact CB-CG1 4.41Å; I1732-V1808 HydrophobicContact CB-CG2 4.18Å; I1732-V1808 HydrophobicContact CG2-CG1 4.34Å; I1732-V1808 CarbonylContact O-C 3.56Å; I1732-V1808 VanDerWaalsContact O-CA 3.23Å; I1732-V1808 WeakPolarHBondContact O-CA 3.12Å; I1732-Q1809 PolarHBondContact O-N 2.79Å |
| 1733 | L | 70 | Confident | 73.4 | Confident | 128 Ų | 128 | 66 Ų | 66 | 67% | 0.67 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 115.4 | 173.4 | -67.6 | 163.6 | 0 | 0 | 0 | 109.6 | Q1809 | L1733-Q1809 HydrophobicContact CD2-CB 3.58Å; L1733-Q1809 HydrophobicContact CD2-CG 4.32Å |
| 1734 | T | 75.5 | Confident | 75.2 | Confident | 8 Ų | 8 | 62.9 Ų | 62.9 | 5% | 0.049 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 0 | -176.8 | 179.3 | 0 | 0 | 0 | 0 | 109.7 | E1738 F1740 V1808 Q1809 V1810 E1811 | T1734-E1738 WeakPolarHBondContact OG1-CB 3.06Å; T1734-E1738 PolarHBondContact OG1-O 2.98Å; T1734-E1738 PolarHBondContact OG1-OE2 3.03Å; T1734-F1740 HydrophobicContact CG2-CD1 3.96Å; T1734-F1740 HydrophobicContact CG2-CE1 4.33Å; T1734-V1808 HydrophobicContact CG2-CG1 3.82Å; T1734-Q1809 PolarHBondContact N-O 2.61Å; T1734-V1810 HydrophobicContact CG2-CG2 3.76Å; T1734-V1810 VanDerWaalsContact O-CA 3.23Å; T1734-V1810 WeakPolarHBondContact O-CA 3.28Å; T1734-E1811 PolarHBondContact O-N 3.44Å |
| 1735 | K | 65.1 | Low | 76.2 | Confident | 143 Ų | 143 | 63.3 Ų | 63.3 | 62% | 0.622 | 34% | 0.336 | S | S | * | . | 0 | 151.9 | 0 | -63 | -178.2 | -175.7 | 178.7 | 0 | 110.7 | H1737 E1738 | K1735-H1737 PolarHBondContact O-N 2.71Å; K1735-H1737 VanDerWaalsContact O-N 3.13Å; K1735-E1738 HydrophobicContact CB-CB 4.42Å; K1735-E1738 PolarHBondContact N-OE2 2.89Å; K1735-E1738 WeakPolarHBondContact O-CB 3.29Å; K1735-E1738 PolarHBondContact O-N 2.73Å | |||
| 1736 | P | 67.3 | Low | 76.2 | Confident | 45 Ų | 45 | 63.6 Ų | 63.6 | 29% | 0.292 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 122.5 | -179.7 | -21.9 | 29.5 | 0 | 0 | 0 | 112 | E1738 I1786 A1787 V1810 E1811 | P1736-E1738 VanDerWaalsContact C-N 3.3Å; P1736-E1738 PolarHBondContact O-N 2.76Å; P1736-I1786 WeakPolarHBondContact CA-O 3.46Å; P1736-A1787 WeakPolarHBondContact CB-O 3.43Å; P1736-V1810 HydrophobicContact CB-CG1 4.4Å; P1736-V1810 HydrophobicContact CG-CG1 4.1Å; P1736-E1811 VanDerWaalsContact CD-O 3.24Å; P1736-E1811 WeakPolarHBondContact CD-O 3.45Å; P1736-E1811 WeakPolarHBondContact CG-O 3.24Å |
| 1737 | H | 60.9 | Low | 75.7 | Confident | 129 Ų | 129 | 64 Ų | 64 | 60% | 0.597 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.5 | 12.5 | 173.1 | -67.9 | -69.7 | 0 | 0 | 0 | 110.5 | K1735 S1784 I1786 A1787 | K1735-H1737 PolarHBondContact O-N 2.71Å; K1735-H1737 VanDerWaalsContact O-N 3.13Å; H1737-S1784 CarbonylContact C-O 3.42Å; H1737-S1784 WeakPolarHBondContact CA-O 2.79Å; H1737-I1786 PolarHBondContact N-O 2.85Å; H1737-A1787 WeakPolarHBondContact CE1-CB 3.28Å; H1737-A1787 WeakPolarHBondContact NE2-CB 3.48Å |
| 1738 | E | 76.2 | Confident | 74.9 | Confident | 94 Ų | 94 | 67 Ų | 67 | 44% | 0.439 | 36% | 0.359 | S | S | . | . | trans | -91.7 | 128.6 | 175.6 | -170.6 | 178.1 | -174.8 | 0 | 0 | 109.6 | T1734 K1735 P1736 G1785 | T1734-E1738 WeakPolarHBondContact OG1-CB 3.06Å; T1734-E1738 PolarHBondContact OG1-O 2.98Å; T1734-E1738 PolarHBondContact OG1-OE2 3.03Å; K1735-E1738 HydrophobicContact CB-CB 4.42Å; K1735-E1738 PolarHBondContact N-OE2 2.89Å; K1735-E1738 WeakPolarHBondContact O-CB 3.29Å; K1735-E1738 PolarHBondContact O-N 2.73Å; P1736-E1738 VanDerWaalsContact C-N 3.3Å; P1736-E1738 PolarHBondContact O-N 2.76Å; E1738-G1785 WeakPolarHBondContact O-CA 3.2Å | ||
| 1739 | S | 74.8 | Confident | 74.1 | Confident | 76 Ų | 76 | 69.3 Ų | 69.3 | 53% | 0.531 | 38% | 0.375 | S | S | . | . | trans | -67.5 | 142.2 | -176.6 | 62.6 | 0 | 0 | 0 | 0 | 110.8 | A1782 E1783 | S1739-A1782 CarbonylContact C-O 3.38Å; S1739-A1782 WeakPolarHBondContact CA-O 3.24Å; S1739-A1782 VanDerWaalsContact CB-O 3.3Å; S1739-A1782 WeakPolarHBondContact CB-O 3.44Å; S1739-E1783 WeakPolarHBondContact CB-O 3.45Å | ||
| 1740 | F | 90 | Very high | 73.5 | Confident | 19 Ų | 19 | 68.5 Ų | 68.5 | 8% | 0.083 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 160 | 171.8 | 64.4 | -91.8 | 0 | 0 | 0 | 109.2 | I1732 T1734 F1742 F1768 A1782 I1786 V1808 | I1732-F1740 HydrophobicContact CD1-CD2 4Å; I1732-F1740 HydrophobicContact CG2-CB 3.8Å; I1732-F1740 HydrophobicContact CG2-CD2 4.34Å; I1732-F1740 HydrophobicContact CG2-CG 4.16Å; T1734-F1740 HydrophobicContact CG2-CD1 3.96Å; T1734-F1740 HydrophobicContact CG2-CE1 4.33Å; F1740-F1742 HydrophobicContact CE2-CD1 4.39Å; F1740-F1742 HydrophobicContact CE2-CE1 4.39Å; F1740-F1768 HydrophobicContact CE2-CE1 4.43Å; F1740-F1768 AromaticContact CZ-CE1 3.81Å; F1740-F1768 HydrophobicContact CZ-CE1 3.81Å; F1740-A1782 HydrophobicContact CD1-CB 3.92Å; F1740-A1782 HydrophobicContact CD2-CB 4.45Å; F1740-A1782 HydrophobicContact CE1-CB 3.52Å; F1740-A1782 HydrophobicContact CE2-CB 4.1Å; F1740-A1782 HydrophobicContact CG-CB 4.37Å; F1740-A1782 HydrophobicContact CZ-CB 3.62Å; F1740-A1782 PolarHBondContact N-O 3.48Å; F1740-A1782 PolarHBondContact O-N 2.92Å; F1740-I1786 HydrophobicContact CE1-CD1 3.92Å; F1740-I1786 HydrophobicContact CE1-CG1 3.91Å; F1740-I1786 HydrophobicContact CZ-CD1 3.82Å; F1740-I1786 HydrophobicContact CZ-CG1 4.23Å; F1740-V1808 HydrophobicContact CD1-CG1 4.43Å; F1740-V1808 HydrophobicContact CE1-CG1 4.05Å; F1740-V1808 HydrophobicContact CE2-CG1 4.14Å; F1740-V1808 HydrophobicContact CE2-CG2 3.99Å; F1740-V1808 HydrophobicContact CZ-CG1 3.89Å; F1740-V1808 HydrophobicContact CZ-CG2 4.39Å |
| 1741 | Q | 88.6 | Confident | 73.4 | Confident | 101 Ų | 101 | 64.8 Ų | 64.8 | 47% | 0.472 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 152.2 | 177.3 | 67.1 | 176.6 | -6.4 | 0 | 0 | 109.8 | I1732 V1780 R1781 | I1732-Q1741 WeakPolarHBondContact CD1-O 3.38Å; Q1741-V1780 CarbonylContact C-O 3.16Å; Q1741-V1780 WeakPolarHBondContact CA-O 3.45Å; Q1741-V1780 WeakPolarHBondContact CB-O 3.21Å; Q1741-R1781 HydrophobicContact CB-CB 4.5Å; Q1741-R1781 HydrophobicContact CB-CG 3.71Å |
| 1742 | F | 91.6 | Very high | 73.3 | Confident | 5 Ų | 5 | 64.9 Ų | 64.9 | 2% | 0.022 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 0 | 171.8 | 62 | -88.6 | 0 | 0 | 0 | 109.3 | I1732 F1740 I1755 V1780 F1794 I1806 | I1732-F1742 HydrophobicContact CD1-CB 3.75Å; I1732-F1742 HydrophobicContact CD1-CD1 4.1Å; I1732-F1742 HydrophobicContact CD1-CG 4.38Å; F1740-F1742 HydrophobicContact CE2-CD1 4.39Å; F1740-F1742 HydrophobicContact CE2-CE1 4.39Å; F1742-I1755 HydrophobicContact CE2-CG2 4.3Å; F1742-I1755 HydrophobicContact CZ-CG2 4.13Å; F1742-V1780 HydrophobicContact CD1-CB 4.23Å; F1742-V1780 HydrophobicContact CD2-CB 4.49Å; F1742-V1780 HydrophobicContact CE1-CB 3.69Å; F1742-V1780 HydrophobicContact CE1-CG1 3.83Å; F1742-V1780 HydrophobicContact CE1-CG2 4.41Å; F1742-V1780 HydrophobicContact CE2-CB 3.99Å; F1742-V1780 HydrophobicContact CE2-CG2 3.89Å; F1742-V1780 HydrophobicContact CZ-CB 3.56Å; F1742-V1780 HydrophobicContact CZ-CG1 3.89Å; F1742-V1780 HydrophobicContact CZ-CG2 3.75Å; F1742-V1780 PolarHBondContact N-O 2.87Å; F1742-V1780 PolarHBondContact O-N 2.31Å; F1742-F1794 HydrophobicContact CE1-CD1 4.27Å; F1742-F1794 HydrophobicContact CE1-CD2 4.4Å; F1742-F1794 HydrophobicContact CE1-CG 4.19Å; F1742-F1794 HydrophobicContact CZ-CB 3.97Å; F1742-F1794 AromaticContact CZ-CD1 3.9Å; F1742-F1794 HydrophobicContact CZ-CD1 3.9Å; F1742-F1794 AromaticContact CZ-CG 3.91Å; F1742-F1794 HydrophobicContact CZ-CG 3.91Å; F1742-I1806 HydrophobicContact CB-CD1 3.76Å; F1742-I1806 HydrophobicContact CD1-CD1 4.32Å; F1742-I1806 HydrophobicContact CD2-CD1 4.25Å; F1742-I1806 HydrophobicContact CD2-CG2 4.29Å; F1742-I1806 HydrophobicContact CE2-CG2 4.07Å; F1742-I1806 HydrophobicContact CG-CD1 3.88Å; F1742-I1806 HydrophobicContact CZ-CG2 4.23Å |
| 1743 | E | 86 | Confident | 73.1 | Confident | 65 Ų | 65 | 63.9 Ų | 63.9 | 30% | 0.304 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 144.8 | 0 | 8.6 | -179.1 | -178.8 | 0 | 0 | 109.6 | I1727 T1728 H1777 V1778 I1779 | I1727-E1743 WeakPolarHBondContact CA-O 3.36Å; T1728-E1743 PolarHBondContact N-O 2.78Å; T1728-E1743 WeakPolarHBondContact O-CG 3.31Å; T1728-E1743 PolarHBondContact O-N 3.45Å; E1743-H1777 IonicContact OE2-CE1 3.48Å; E1743-H1777 PolarHBondContact OE2-CE1 1.88Å; E1743-H1777 IonicContact OE2-NE2 3.02Å; E1743-H1777 PolarHBondContact OE2-NE2 3.49Å; E1743-V1778 CarbonylContact C-O 3.31Å; E1743-V1778 WeakPolarHBondContact CA-O 3.27Å; E1743-I1779 HydrophobicContact CB-CG1 4.08Å | |
| 1744 | C | 86.2 | Confident | 73.7 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 0 | 178.8 | -156.1 | 0 | 0 | 0 | 0 | 108.9 | I1726 P1753 H1777 V1778 C1796 | I1726-C1744 WeakPolarHBondContact O-CA 3.13Å; C1744-P1753 HydrophobicContact CB-CB 4.25Å; C1744-H1777 CarbonylContact O-C 3.57Å; C1744-H1777 WeakPolarHBondContact O-CA 3.3Å; C1744-V1778 PolarHBondContact N-O 2.8Å; C1744-V1778 PolarHBondContact O-N 2.68Å; C1744-C1796 HydrophobicContact CB-CB 4.28Å; C1744-C1796 WeakPolarHBondContact CB-SG 3.33Å; C1744-C1796 WeakPolarHBondContact SG-CB 2.74Å; C1744-C1796 CovalentContact SG-SG 1.68Å; C1744-C1796 PolarHBondContact SG-SG 2.97Å |
| 1745 | K | 75.8 | Confident | 74.3 | Confident | 90 Ų | 90 | 61.5 Ų | 61.5 | 39% | 0.391 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -73.5 | -177.2 | -176 | 178.8 | 0 | 110 | I1726 E1776 H1777 | I1726-K1745 HydrophobicContact CB-CB 4.37Å; I1726-K1745 PolarHBondContact N-O 3.3Å; I1726-K1745 PolarHBondContact O-N 3.05Å; K1745-E1776 CarbonylContact C-O 3.6Å; K1745-E1776 VanDerWaalsContact CA-O 3.27Å; K1745-E1776 WeakPolarHBondContact CA-O 3.49Å; K1745-H1777 WeakPolarHBondContact CE-CD2 2.85Å; K1745-H1777 WeakPolarHBondContact CE-CE1 3.44Å; K1745-H1777 WeakPolarHBondContact CE-ND1 3.17Å; K1745-H1777 WeakPolarHBondContact CE-NE2 3.18Å; K1745-H1777 HydrophobicContact CG-CB 4.13Å; K1745-H1777 WeakPolarHBondContact CG-CD2 3.32Å; K1745-H1777 WeakPolarHBondContact CG-NE2 3.13Å | |
| 1746 | S | 69 | Low | 75.3 | Confident | 10 Ų | 10 | 56.5 Ų | 56.5 | 7% | 0.07 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 124.6 | 0 | 169 | 0 | 0 | 0 | 0 | 109.2 | M1748 G1751 E1776 | S1746-M1748 PolarHBondContact OG-N 2.81Å; S1746-M1748 PolarHBondContact OG-O 3.33Å; S1746-G1751 WeakPolarHBondContact CB-O 3.14Å; S1746-E1776 PolarHBondContact N-O 3.33Å; S1746-E1776 WeakPolarHBondContact O-CB 3.27Å | |
| 1747 | V | 65.3 | Low | 76.2 | Confident | 86 Ų | 86 | 55.2 Ų | 55.2 | 52% | 0.521 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -83.5 | 0 | -177.9 | -120.7 | 0 | 0 | 0 | 0 | 108.8 | T1724 I1726 | T1724-V1747 WeakPolarHBondContact O-CG2 3.44Å; T1724-V1747 PolarHBondContact O-N 2.23Å; I1726-V1747 HydrophobicContact CD1-CG1 4.21Å; I1726-V1747 HydrophobicContact CD1-CG2 4.3Å; I1726-V1747 HydrophobicContact CG1-CG2 4.32Å |
| 1748 | M | 59.6 | Low | 76.6 | Confident | 83 Ų | 83 | 55.7 Ų | 55.7 | 41% | 0.409 | 30% | 0.302 | S | S | . | . | S | Bend | 0 | 123.4 | 0 | -156.2 | -117 | -81.6 | 0 | 0 | 111.1 | S1746 G1750 G1751 V1798 | S1746-M1748 PolarHBondContact OG-N 2.81Å; S1746-M1748 PolarHBondContact OG-O 3.33Å; M1748-G1750 PolarHBondContact O-N 2.87Å; M1748-G1751 PolarHBondContact O-N 3Å; M1748-V1798 HydrophobicContact CE-CG1 4.49Å | |
| 1749 | P | 56.7 | Low | 76.2 | Confident | 108 Ų | 108 | 54.1 Ų | 54.1 | 70% | 0.701 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 0 | 176.3 | -0.8 | 9.6 | 0 | 0 | 0 | 111.5 | E1776 | P1749-E1776 WeakPolarHBondContact CA-OE1 3.4Å; P1749-E1776 WeakPolarHBondContact CA-OE2 2.9Å; P1749-E1776 WeakPolarHBondContact CB-OE1 3.3Å; P1749-E1776 VanDerWaalsContact N-OE1 3.17Å |
| 1750 | G | 61.1 | Low | 76 | Confident | 51 Ų | 51 | 54.2 Ų | 54.2 | 53% | 0.526 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | -4.7 | 0 | 0 | 0 | 0 | 0 | 0 | 112.1 | M1748 E1752 E1776 | M1748-G1750 PolarHBondContact O-N 2.87Å; G1750-E1752 PolarHBondContact O-N 3.49Å; G1750-E1776 PolarHBondContact N-OE1 2.96Å | |
| 1751 | G | 64.5 | Low | 75.5 | Confident | 4 Ų | 4 | 56.2 Ų | 56.2 | 4% | 0.041 | 33% | 0.326 | C | S | . | . | trans | -75.6 | 111.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S1746 M1748 P1753 E1776 | S1746-G1751 WeakPolarHBondContact CB-O 3.14Å; M1748-G1751 PolarHBondContact O-N 3Å; G1751-P1753 WeakPolarHBondContact O-CD 3.43Å; G1751-E1776 WeakPolarHBondContact O-CA 3.4Å | ||
| 1752 | E | 73.2 | Confident | 75.1 | Confident | 96 Ų | 96 | 51.4 Ų | 51.4 | 45% | 0.449 | 30% | 0.304 | S | S | . | . | trans | -92 | 107.2 | -177.9 | -85.8 | 179.9 | -175.4 | 0 | 0 | 110.4 | G1750 Q1754 R1775 | G1750-E1752 PolarHBondContact O-N 3.49Å; E1752-Q1754 PolarHBondContact O-N 2.86Å; E1752-R1775 WeakPolarHBondContact CA-O 3.07Å; E1752-R1775 HydrophobicContact CG-CB 4.5Å; E1752-R1775 VanDerWaalsContact CG-O 3.3Å; E1752-R1775 WeakPolarHBondContact CG-O 3.42Å | ||
| 1753 | P | 77.9 | Confident | 74.4 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | trans | -68.5 | 131.2 | -178.5 | -5.3 | 10.3 | 0 | 0 | 0 | 112 | C1744 G1751 R1772 V1778 T1797 V1798 | C1744-P1753 HydrophobicContact CB-CB 4.25Å; G1751-P1753 WeakPolarHBondContact O-CD 3.43Å; P1753-R1772 PolarHBondContact O-NH2 2.47Å; P1753-V1778 HydrophobicContact CB-CG2 4.29Å; P1753-V1778 HydrophobicContact CG-CG2 3.97Å; P1753-T1797 WeakPolarHBondContact CA-O 3.46Å; P1753-V1798 HydrophobicContact CB-CG2 3.98Å; P1753-V1798 HydrophobicContact CG-CG2 4.33Å | ||
| 1754 | Q | 83.5 | Confident | 73.8 | Confident | 82 Ų | 82 | 59 Ų | 59 | 38% | 0.383 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 0 | 172.9 | -64.7 | -69.9 | -45.2 | 0 | 0 | 110.6 | E1752 T1797 | E1752-Q1754 PolarHBondContact O-N 2.86Å; Q1754-T1797 PolarHBondContact N-O 3.08Å; Q1754-T1797 PolarHBondContact O-N 2.66Å; Q1754-T1797 PolarHBondContact O-OG1 2.73Å |
| 1755 | I | 86.6 | Confident | 73.2 | Confident | 5 Ų | 5 | 60.5 Ų | 60.5 | 3% | 0.026 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -57.7 | 151.3 | 0 | 0 | 0 | 108.4 | F1742 V1762 V1778 V1780 F1794 T1795 | F1742-I1755 HydrophobicContact CE2-CG2 4.3Å; F1742-I1755 HydrophobicContact CZ-CG2 4.13Å; I1755-V1762 HydrophobicContact CG2-CB 4.5Å; I1755-V1762 HydrophobicContact CG2-CG2 3.88Å; I1755-V1762 PolarHBondContact O-N 3.28Å; I1755-V1778 HydrophobicContact CD1-CB 4.01Å; I1755-V1778 HydrophobicContact CD1-CG1 3.26Å; I1755-V1780 HydrophobicContact CB-CG2 4.46Å; I1755-V1780 HydrophobicContact CD1-CG2 3.03Å; I1755-V1780 HydrophobicContact CG1-CG2 4.19Å; I1755-V1780 HydrophobicContact CG2-CG2 4.28Å; I1755-F1794 HydrophobicContact CG2-CB 4.48Å; I1755-F1794 HydrophobicContact CG2-CD1 4.22Å; I1755-T1795 WeakPolarHBondContact CA-O 3.33Å | |
| 1756 | T | 85.7 | Confident | 73.2 | Confident | 38 Ų | 38 | 62.4 Ų | 62.4 | 23% | 0.233 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 140.3 | 0 | 55.2 | 0 | 0 | 0 | 0 | 109.8 | S1760 F1794 T1795 | T1756-S1760 CarbonylContact C-O 3.29Å; T1756-S1760 VanDerWaalsContact CA-O 3.32Å; T1756-S1760 WeakPolarHBondContact CA-O 3.27Å; T1756-F1794 VanDerWaalsContact O-CA 3.31Å; T1756-F1794 WeakPolarHBondContact O-CA 3.23Å; T1756-T1795 PolarHBondContact N-O 2.46Å; T1756-T1795 PolarHBondContact O-N 2.87Å | |
| 1757 | L | 86.3 | Confident | 73.3 | Confident | 18 Ų | 18 | 66.7 Ų | 66.7 | 9% | 0.094 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 0 | 170.1 | 176 | 69.8 | 0 | 0 | 0 | 110.3 | G1759 S1760 V1762 F1768 Y1792 F1794 | L1757-G1759 PolarHBondContact O-N 2.67Å; L1757-G1759 VanDerWaalsContact O-N 3.1Å; L1757-S1760 PolarHBondContact N-O 3.44Å; L1757-S1760 PolarHBondContact O-N 2.74Å; L1757-V1762 HydrophobicContact CB-CG2 3.84Å; L1757-F1768 HydrophobicContact CD2-CE2 3.96Å; L1757-F1768 HydrophobicContact CD2-CZ 4.23Å; L1757-Y1792 HydrophobicContact CD1-CD1 4.34Å; L1757-F1794 HydrophobicContact CB-CD1 4.04Å; L1757-F1794 HydrophobicContact CB-CE1 3.8Å; L1757-F1794 HydrophobicContact CB-CZ 4.44Å; L1757-F1794 HydrophobicContact CD1-CD1 3.85Å; L1757-F1794 HydrophobicContact CD1-CD2 3.87Å; L1757-F1794 HydrophobicContact CD1-CE1 3.47Å; L1757-F1794 VanDerWaalsContact CD1-CE1 3.47Å; L1757-F1794 HydrophobicContact CD1-CE2 3.49Å; L1757-F1794 VanDerWaalsContact CD1-CE2 3.49Å; L1757-F1794 HydrophobicContact CD1-CG 4.03Å; L1757-F1794 HydrophobicContact CD1-CZ 3.29Å; L1757-F1794 HydrophobicContact CD2-CE1 4.33Å; L1757-F1794 HydrophobicContact CD2-CZ 4.29Å; L1757-F1794 HydrophobicContact CG-CE1 4.07Å; L1757-F1794 HydrophobicContact CG-CZ 4.21Å |
| 1758 | E | 69.8 | Low | 74.2 | Confident | 139 Ų | 139 | 63.2 Ų | 63.2 | 65% | 0.65 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 31.9 | 0 | -59.6 | -125.1 | 165.5 | 0 | 0 | 110.8 | S1793 | E1758-S1793 PolarHBondContact N-O 2.58Š| |
| 1759 | G | 67.6 | Low | 75.1 | Confident | 60 Ų | 60 | 62.2 Ų | 62.2 | 62% | 0.619 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104.2 | 0 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1757 | L1757-G1759 PolarHBondContact O-N 2.67Å; L1757-G1759 VanDerWaalsContact O-N 3.1Å |
| 1760 | S | 70.1 | Confident | 76.4 | Confident | 78 Ų | 78 | 59.3 Ų | 59.3 | 55% | 0.545 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -59.4 | 0 | 0 | 0 | 0 | 109.3 | T1756 L1757 V1762 | T1756-S1760 CarbonylContact C-O 3.29Å; T1756-S1760 VanDerWaalsContact CA-O 3.32Å; T1756-S1760 WeakPolarHBondContact CA-O 3.27Å; L1757-S1760 PolarHBondContact N-O 3.44Å; L1757-S1760 PolarHBondContact O-N 2.74Å; S1760-V1762 PolarHBondContact O-N 1.36Å | |
| 1761 | P | 80.5 | Confident | 77.3 | Confident | 61 Ų | 61 | 59.9 Ų | 59.9 | 40% | 0.396 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 127.8 | 0 | -12.6 | 18.9 | 0 | 0 | 0 | 111.8 | E1763 N1764 | P1761-E1763 PolarHBondContact O-N 2.87Å; P1761-N1764 PolarHBondContact O-N 3.43Å | |
| 1762 | V | 81.2 | Confident | 78.2 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.006 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -69.9 | -16.6 | -172.1 | 171.1 | 0 | 0 | 0 | 0 | 109.1 | I1755 L1757 S1760 N1764 D1765 F1768 V1780 F1794 | I1755-V1762 HydrophobicContact CG2-CB 4.5Å; I1755-V1762 HydrophobicContact CG2-CG2 3.88Å; I1755-V1762 PolarHBondContact O-N 3.28Å; L1757-V1762 HydrophobicContact CB-CG2 3.84Å; S1760-V1762 PolarHBondContact O-N 1.36Å; V1762-N1764 PolarHBondContact O-N 2.67Å; V1762-D1765 PolarHBondContact O-N 2.62Å; V1762-F1768 HydrophobicContact CG1-CB 3.32Å; V1762-F1768 HydrophobicContact CG1-CD1 4.35Å; V1762-F1768 HydrophobicContact CG1-CD2 3.42Å; V1762-F1768 VanDerWaalsContact CG1-CD2 3.42Å; V1762-F1768 HydrophobicContact CG1-CE2 4.3Å; V1762-F1768 HydrophobicContact CG1-CG 3.46Å; V1762-F1768 VanDerWaalsContact CG1-CG 3.46Å; V1762-V1780 HydrophobicContact CG1-CG1 4.04Å; V1762-F1794 HydrophobicContact CG2-CD1 3.74Å; V1762-F1794 HydrophobicContact CG2-CE1 3.73Å |
| 1763 | E | 75.2 | Confident | 78.2 | Confident | 93 Ų | 93 | 63.1 Ų | 63.1 | 44% | 0.435 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -70 | -22.7 | -177.5 | -67.9 | 150 | -173.7 | 0 | 0 | 111.1 | P1761 D1765 I1770 R1772 | P1761-E1763 PolarHBondContact O-N 2.87Å; E1763-D1765 VanDerWaalsContact C-N 3.29Å; E1763-I1770 HydrophobicContact CB-CD1 3.74Å; E1763-I1770 HydrophobicContact CG-CD1 2.73Å; E1763-I1770 HydrophobicContact CG-CG1 4.21Å; E1763-R1772 IonicContact OE1-NH2 3.98Å |
| 1764 | N | 73.4 | Confident | 78 | Confident | 135 Ų | 135 | 65.9 Ų | 65.9 | 72% | 0.722 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -94 | -3.6 | -178 | -67.7 | -20.8 | 0 | 0 | 0 | 111.4 | P1761 V1762 P1766 | P1761-N1764 PolarHBondContact O-N 3.43Å; V1762-N1764 PolarHBondContact O-N 2.67Å; N1764-P1766 VanDerWaalsContact O-CD 3.32Å; N1764-P1766 WeakPolarHBondContact O-CD 3.31Å |
| 1765 | D | 74.3 | Confident | 77.4 | Confident | 33 Ų | 33 | 70.8 Ų | 70.8 | 18% | 0.176 | 38% | 0.384 | C | S | . | . | trans | -96.6 | 0 | -179 | -168.6 | -41.3 | 0 | 0 | 0 | 109.6 | V1762 E1763 R1767 F1768 | V1762-D1765 PolarHBondContact O-N 2.62Å; E1763-D1765 VanDerWaalsContact C-N 3.29Å; D1765-R1767 PolarHBondContact O-N 3.02Å; D1765-R1767 WeakPolarHBondContact OD1-CB 3.5Å; D1765-R1767 WeakPolarHBondContact OD1-CG 3.26Å; D1765-R1767 IonicContact OD1-CZ 2.41Å; D1765-R1767 PolarHBondContact OD1-N 3.31Å; D1765-R1767 IonicContact OD1-NE 3.28Å; D1765-R1767 PolarHBondContact OD1-NE 2.97Å; D1765-R1767 IonicContact OD1-NH2 2.97Å; D1765-R1767 IonicContact OD2-CZ 3.73Å; D1765-R1767 IonicContact OD2-NE 3.95Å; D1765-R1767 PolarHBondContact OD2-NE 3.06Å; D1765-R1767 IonicContact OD2-NH2 2.5Å; D1765-R1767 PolarHBondContact OD2-NH2 3.03Å; D1765-F1768 HydrophobicContact CB-CD2 3.81Å; D1765-F1768 HydrophobicContact CB-CE2 4.24Å; D1765-F1768 PolarHBondContact O-N 3.02Å; D1765-F1768 VanDerWaalsContact O-N 3.13Å | ||
| 1766 | P | 76.3 | Confident | 76.7 | Confident | 129 Ų | 129 | 72.8 Ų | 72.8 | 84% | 0.838 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 9.5 | -11.6 | 0 | 0 | 0 | 111.8 | N1764 F1768 | N1764-P1766 VanDerWaalsContact O-CD 3.32Å; N1764-P1766 WeakPolarHBondContact O-CD 3.31Å; P1766-F1768 VanDerWaalsContact C-N 3.3Å; P1766-F1768 PolarHBondContact O-N 3.31Å | |
| 1767 | R | 71.3 | Confident | 76.6 | Confident | 101 Ų | 101 | 72 Ų | 72 | 38% | 0.381 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | -17.7 | 0 | -67.4 | 176.2 | -64.2 | -176.9 | -1 | 110 | D1765 | D1765-R1767 PolarHBondContact O-N 3.02Å; D1765-R1767 WeakPolarHBondContact OD1-CB 3.5Å; D1765-R1767 WeakPolarHBondContact OD1-CG 3.26Å; D1765-R1767 IonicContact OD1-CZ 2.41Å; D1765-R1767 PolarHBondContact OD1-N 3.31Å; D1765-R1767 IonicContact OD1-NE 3.28Å; D1765-R1767 PolarHBondContact OD1-NE 2.97Å; D1765-R1767 IonicContact OD1-NH2 2.97Å; D1765-R1767 IonicContact OD2-CZ 3.73Å; D1765-R1767 IonicContact OD2-NE 3.95Å; D1765-R1767 PolarHBondContact OD2-NE 3.06Å; D1765-R1767 IonicContact OD2-NH2 2.5Å; D1765-R1767 PolarHBondContact OD2-NH2 3.03Å | |
| 1768 | F | 83.9 | Confident | 76.7 | Confident | 13 Ų | 13 | 71.2 Ų | 71.2 | 6% | 0.057 | 38% | 0.382 | C | S | . | . | trans | -122.7 | 141.5 | -172.2 | -56.3 | -77 | 0 | 0 | 0 | 109.3 | F1740 L1757 V1762 D1765 P1766 V1780 R1781 A1782 I1786 F1794 | F1740-F1768 HydrophobicContact CE2-CE1 4.43Å; F1740-F1768 AromaticContact CZ-CE1 3.81Å; F1740-F1768 HydrophobicContact CZ-CE1 3.81Å; L1757-F1768 HydrophobicContact CD2-CE2 3.96Å; L1757-F1768 HydrophobicContact CD2-CZ 4.23Å; V1762-F1768 HydrophobicContact CG1-CB 3.32Å; V1762-F1768 HydrophobicContact CG1-CD1 4.35Å; V1762-F1768 HydrophobicContact CG1-CD2 3.42Å; V1762-F1768 VanDerWaalsContact CG1-CD2 3.42Å; V1762-F1768 HydrophobicContact CG1-CE2 4.3Å; V1762-F1768 HydrophobicContact CG1-CG 3.46Å; V1762-F1768 VanDerWaalsContact CG1-CG 3.46Å; D1765-F1768 HydrophobicContact CB-CD2 3.81Å; D1765-F1768 HydrophobicContact CB-CE2 4.24Å; D1765-F1768 PolarHBondContact O-N 3.02Å; D1765-F1768 VanDerWaalsContact O-N 3.13Å; P1766-F1768 VanDerWaalsContact C-N 3.3Å; P1766-F1768 PolarHBondContact O-N 3.31Å; F1768-V1780 HydrophobicContact CB-CG1 4.17Å; F1768-V1780 HydrophobicContact CD1-CG1 4.21Å; F1768-V1780 HydrophobicContact CG-CG1 4.45Å; F1768-R1781 CarbonylContact C-O 3.58Å; F1768-R1781 WeakPolarHBondContact CA-O 3.04Å; F1768-A1782 HydrophobicContact CD1-CB 3.65Å; F1768-A1782 HydrophobicContact CE1-CB 3.78Å; F1768-I1786 HydrophobicContact CE1-CD1 4.21Å; F1768-I1786 HydrophobicContact CE1-CG1 4.43Å; F1768-I1786 HydrophobicContact CZ-CD1 3.95Å; F1768-I1786 HydrophobicContact CZ-CG1 4.3Å; F1768-F1794 HydrophobicContact CE1-CE1 4.11Å; F1768-F1794 AromaticContact CE1-CZ 3.71Å; F1768-F1794 HydrophobicContact CE1-CZ 3.71Å; F1768-F1794 HydrophobicContact CE2-CE1 4.26Å; F1768-F1794 HydrophobicContact CE2-CZ 4.28Å; F1768-F1794 AromaticContact CZ-CE1 3.89Å; F1768-F1794 HydrophobicContact CZ-CE1 3.89Å; F1768-F1794 AromaticContact CZ-CZ 3.5Å; F1768-F1794 HydrophobicContact CZ-CZ 3.5Å; F1768-F1794 VanDerWaalsContact CZ-CZ 3.5Å | ||
| 1769 | T | 78.9 | Confident | 77.5 | Confident | 61 Ų | 61 | 65.7 Ų | 65.7 | 37% | 0.374 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 0 | 172.3 | 10.9 | 0 | 0 | 0 | 0 | 109.1 | V1780 R1781 | T1769-V1780 CarbonylContact O-C 3.38Å; T1769-R1781 PolarHBondContact N-O 2.81Å; T1769-R1781 WeakPolarHBondContact O-CA 3.19Å; T1769-R1781 PolarHBondContact O-N 3.18Å; T1769-R1781 PolarHBondContact OG1-O 2.97Å |
| 1770 | I | 82.4 | Confident | 78.5 | Confident | 48 Ų | 48 | 62.8 Ų | 62.8 | 25% | 0.246 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 128.1 | 0 | -65 | 175.8 | 0 | 0 | 0 | 108.4 | E1763 V1778 I1779 | E1763-I1770 HydrophobicContact CB-CD1 3.74Å; E1763-I1770 HydrophobicContact CG-CD1 2.73Å; E1763-I1770 HydrophobicContact CG-CG1 4.21Å; I1770-V1778 HydrophobicContact CG2-CG1 3.58Å; I1770-I1779 CarbonylContact C-O 3.55Å; I1770-I1779 WeakPolarHBondContact CA-O 3.33Å | |
| 1771 | I | 81.4 | Confident | 79.3 | Confident | 63 Ų | 63 | 63.6 Ų | 63.6 | 32% | 0.323 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 0 | 175.1 | -60.4 | 170.1 | 0 | 0 | 0 | 108.5 | P1773 I1779 | I1771-P1773 VanDerWaalsContact C-CD 3.44Å; I1771-P1773 WeakPolarHBondContact O-CD 3.5Å; I1771-I1779 HydrophobicContact CB-CB 4.13Å; I1771-I1779 PolarHBondContact N-O 2.85Å; I1771-I1779 WeakPolarHBondContact O-CA 3.39Å; I1771-I1779 WeakPolarHBondContact O-CB 2.98Å; I1771-I1779 PolarHBondContact O-N 3.06Å |
| 1772 | R | 82.2 | Confident | 79.5 | Confident | 94 Ų | 94 | 60.7 Ų | 60.7 | 36% | 0.355 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 93.6 | 0 | -90.2 | 176.8 | -159.8 | -90.9 | -0.5 | 109.3 | P1753 E1763 S1774 V1778 | P1753-R1772 PolarHBondContact O-NH2 2.47Å; E1763-R1772 IonicContact OE1-NH2 3.98Å; R1772-S1774 PolarHBondContact O-N 2.69Å; R1772-V1778 HydrophobicContact CG-CB 4.37Å; R1772-V1778 HydrophobicContact CG-CG1 4.36Å; R1772-V1778 HydrophobicContact CG-CG2 3.64Å; R1772-V1778 VanDerWaalsContact CZ-CG2 3.43Å | |
| 1773 | P | 74.1 | Confident | 79.4 | Confident | 74 Ų | 74 | 67 Ų | 67 | 48% | 0.481 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | -34.9 | -179.2 | -9.4 | 13.9 | 0 | 0 | 0 | 111.7 | I1771 H1777 I1779 | I1771-P1773 VanDerWaalsContact C-CD 3.44Å; I1771-P1773 WeakPolarHBondContact O-CD 3.5Å; P1773-H1777 WeakPolarHBondContact CD-O 3.02Å; P1773-H1777 HydrophobicContact CG-CB 4.46Å; P1773-H1777 WeakPolarHBondContact CG-ND1 2.59Å; P1773-I1779 HydrophobicContact CG-CD1 3.5Å; P1773-I1779 HydrophobicContact CG-CG1 3.93Å |
| 1774 | S | 74.2 | Confident | 79.3 | Confident | 58 Ų | 58 | 66.9 Ų | 66.9 | 41% | 0.406 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 162.8 | 172.5 | 70.4 | 0 | 0 | 0 | 0 | 110.2 | R1772 E1776 H1777 | R1772-S1774 PolarHBondContact O-N 2.69Å; S1774-E1776 PolarHBondContact O-N 2.58Å; S1774-E1776 VanDerWaalsContact O-N 3.09Å; S1774-H1777 CarbonylContact O-C 3.42Å; S1774-H1777 PolarHBondContact O-N 2.77Å; S1774-H1777 WeakPolarHBondContact OG-CB 3.47Å; S1774-H1777 PolarHBondContact OG-N 2.69Å |
| 1775 | R | 69.3 | Low | 79.5 | Confident | 185 Ų | 185 | 60.8 Ų | 60.8 | 70% | 0.698 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -21 | -177.6 | -84.2 | -168.1 | 175.1 | 178.6 | -0.8 | 111 | E1752 | E1752-R1775 WeakPolarHBondContact CA-O 3.07Å; E1752-R1775 HydrophobicContact CG-CB 4.5Å; E1752-R1775 VanDerWaalsContact CG-O 3.3Å; E1752-R1775 WeakPolarHBondContact CG-O 3.42Å |
| 1776 | E | 73.4 | Confident | 79.6 | Confident | 46 Ų | 46 | 59.2 Ų | 59.2 | 22% | 0.215 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 0 | -175.4 | -46.5 | -148.6 | -174.4 | 0 | 0 | 110.3 | K1745 S1746 P1749 G1750 G1751 S1774 | K1745-E1776 CarbonylContact C-O 3.6Å; K1745-E1776 VanDerWaalsContact CA-O 3.27Å; K1745-E1776 WeakPolarHBondContact CA-O 3.49Å; S1746-E1776 PolarHBondContact N-O 3.33Å; S1746-E1776 WeakPolarHBondContact O-CB 3.27Å; P1749-E1776 WeakPolarHBondContact CA-OE1 3.4Å; P1749-E1776 WeakPolarHBondContact CA-OE2 2.9Å; P1749-E1776 WeakPolarHBondContact CB-OE1 3.3Å; P1749-E1776 VanDerWaalsContact N-OE1 3.17Å; G1750-E1776 PolarHBondContact N-OE1 2.96Å; G1751-E1776 WeakPolarHBondContact O-CA 3.4Å; S1774-E1776 PolarHBondContact O-N 2.58Å; S1774-E1776 VanDerWaalsContact O-N 3.09Å |
| 1777 | H | 84 | Confident | 79 | Confident | 23 Ų | 23 | 55.1 Ų | 55.1 | 11% | 0.106 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 120.4 | 0 | -173.7 | -162.6 | 0 | 0 | 0 | 109.6 | E1743 C1744 K1745 P1773 S1774 | E1743-H1777 IonicContact OE2-CE1 3.48Å; E1743-H1777 PolarHBondContact OE2-CE1 1.88Å; E1743-H1777 IonicContact OE2-NE2 3.02Å; E1743-H1777 PolarHBondContact OE2-NE2 3.49Å; C1744-H1777 CarbonylContact O-C 3.57Å; C1744-H1777 WeakPolarHBondContact O-CA 3.3Å; K1745-H1777 WeakPolarHBondContact CE-CD2 2.85Å; K1745-H1777 WeakPolarHBondContact CE-CE1 3.44Å; K1745-H1777 WeakPolarHBondContact CE-ND1 3.17Å; K1745-H1777 WeakPolarHBondContact CE-NE2 3.18Å; K1745-H1777 HydrophobicContact CG-CB 4.13Å; K1745-H1777 WeakPolarHBondContact CG-CD2 3.32Å; K1745-H1777 WeakPolarHBondContact CG-NE2 3.13Å; P1773-H1777 WeakPolarHBondContact CD-O 3.02Å; P1773-H1777 HydrophobicContact CG-CB 4.46Å; P1773-H1777 WeakPolarHBondContact CG-ND1 2.59Å; S1774-H1777 CarbonylContact O-C 3.42Å; S1774-H1777 PolarHBondContact O-N 2.77Å; S1774-H1777 WeakPolarHBondContact OG-CB 3.47Å; S1774-H1777 PolarHBondContact OG-N 2.69Å | |
| 1778 | V | 86.6 | Confident | 78.6 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 133.9 | -179.7 | 175.9 | 0 | 0 | 0 | 0 | 108.6 | E1743 C1744 P1753 I1755 I1770 R1772 V1780 | E1743-V1778 CarbonylContact C-O 3.31Å; E1743-V1778 WeakPolarHBondContact CA-O 3.27Å; C1744-V1778 PolarHBondContact N-O 2.8Å; C1744-V1778 PolarHBondContact O-N 2.68Å; P1753-V1778 HydrophobicContact CB-CG2 4.29Å; P1753-V1778 HydrophobicContact CG-CG2 3.97Å; I1755-V1778 HydrophobicContact CD1-CB 4.01Å; I1755-V1778 HydrophobicContact CD1-CG1 3.26Å; I1770-V1778 HydrophobicContact CG2-CG1 3.58Å; R1772-V1778 HydrophobicContact CG-CB 4.37Å; R1772-V1778 HydrophobicContact CG-CG1 4.36Å; R1772-V1778 HydrophobicContact CG-CG2 3.64Å; R1772-V1778 VanDerWaalsContact CZ-CG2 3.43Å; V1778-V1780 HydrophobicContact CG1-CG2 4.46Å |
| 1779 | I | 88.5 | Confident | 77.4 | Confident | 23 Ų | 23 | 57 Ų | 57 | 12% | 0.118 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 129.7 | 177 | -58.7 | 172.2 | 0 | 0 | 0 | 109.2 | E1743 I1770 I1771 P1773 R1781 | E1743-I1779 HydrophobicContact CB-CG1 4.08Å; I1770-I1779 CarbonylContact C-O 3.55Å; I1770-I1779 WeakPolarHBondContact CA-O 3.33Å; I1771-I1779 HydrophobicContact CB-CB 4.13Å; I1771-I1779 PolarHBondContact N-O 2.85Å; I1771-I1779 WeakPolarHBondContact O-CA 3.39Å; I1771-I1779 WeakPolarHBondContact O-CB 2.98Å; I1771-I1779 PolarHBondContact O-N 3.06Å; P1773-I1779 HydrophobicContact CG-CD1 3.5Å; P1773-I1779 HydrophobicContact CG-CG1 3.93Å; I1779-R1781 HydrophobicContact CG2-CG 4.29Å |
| 1780 | V | 87.3 | Confident | 77 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 0 | 177.8 | -179.2 | 0 | 0 | 0 | 0 | 108.8 | Q1741 F1742 I1755 V1762 F1768 T1769 V1778 | Q1741-V1780 CarbonylContact C-O 3.16Å; Q1741-V1780 WeakPolarHBondContact CA-O 3.45Å; Q1741-V1780 WeakPolarHBondContact CB-O 3.21Å; F1742-V1780 HydrophobicContact CD1-CB 4.23Å; F1742-V1780 HydrophobicContact CD2-CB 4.49Å; F1742-V1780 HydrophobicContact CE1-CB 3.69Å; F1742-V1780 HydrophobicContact CE1-CG1 3.83Å; F1742-V1780 HydrophobicContact CE1-CG2 4.41Å; F1742-V1780 HydrophobicContact CE2-CB 3.99Å; F1742-V1780 HydrophobicContact CE2-CG2 3.89Å; F1742-V1780 HydrophobicContact CZ-CB 3.56Å; F1742-V1780 HydrophobicContact CZ-CG1 3.89Å; F1742-V1780 HydrophobicContact CZ-CG2 3.75Å; F1742-V1780 PolarHBondContact N-O 2.87Å; F1742-V1780 PolarHBondContact O-N 2.31Å; I1755-V1780 HydrophobicContact CB-CG2 4.46Å; I1755-V1780 HydrophobicContact CD1-CG2 3.03Å; I1755-V1780 HydrophobicContact CG1-CG2 4.19Å; I1755-V1780 HydrophobicContact CG2-CG2 4.28Å; V1762-V1780 HydrophobicContact CG1-CG1 4.04Å; F1768-V1780 HydrophobicContact CB-CG1 4.17Å; F1768-V1780 HydrophobicContact CD1-CG1 4.21Å; F1768-V1780 HydrophobicContact CG-CG1 4.45Å; T1769-V1780 CarbonylContact O-C 3.38Å; V1778-V1780 HydrophobicContact CG1-CG2 4.46Å |
| 1781 | R | 87.9 | Confident | 76.9 | Confident | 94 Ų | 94 | 59.9 Ų | 59.9 | 36% | 0.355 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 129.7 | 0 | -74.3 | -175.7 | 178.6 | 166.9 | -0.2 | 110.5 | Q1741 F1768 T1769 I1779 | Q1741-R1781 HydrophobicContact CB-CB 4.5Å; Q1741-R1781 HydrophobicContact CB-CG 3.71Å; F1768-R1781 CarbonylContact C-O 3.58Å; F1768-R1781 WeakPolarHBondContact CA-O 3.04Å; T1769-R1781 PolarHBondContact N-O 2.81Å; T1769-R1781 WeakPolarHBondContact O-CA 3.19Å; T1769-R1781 PolarHBondContact O-N 3.18Å; T1769-R1781 PolarHBondContact OG1-O 2.97Å; I1779-R1781 HydrophobicContact CG2-CG 4.29Å | |
| 1782 | A | 84.4 | Confident | 77 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.008 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 91.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | S1739 F1740 F1768 S1784 G1785 | S1739-A1782 CarbonylContact C-O 3.38Å; S1739-A1782 WeakPolarHBondContact CA-O 3.24Å; S1739-A1782 VanDerWaalsContact CB-O 3.3Å; S1739-A1782 WeakPolarHBondContact CB-O 3.44Å; F1740-A1782 HydrophobicContact CD1-CB 3.92Å; F1740-A1782 HydrophobicContact CD2-CB 4.45Å; F1740-A1782 HydrophobicContact CE1-CB 3.52Å; F1740-A1782 HydrophobicContact CE2-CB 4.1Å; F1740-A1782 HydrophobicContact CG-CB 4.37Å; F1740-A1782 HydrophobicContact CZ-CB 3.62Å; F1740-A1782 PolarHBondContact N-O 3.48Å; F1740-A1782 PolarHBondContact O-N 2.92Å; F1768-A1782 HydrophobicContact CD1-CB 3.65Å; F1768-A1782 HydrophobicContact CE1-CB 3.78Å; A1782-S1784 PolarHBondContact O-N 3.25Å; A1782-G1785 PolarHBondContact O-N 2.62Å |
| 1783 | E | 78.4 | Confident | 77.2 | Confident | 134 Ų | 134 | 55.9 Ų | 55.9 | 63% | 0.626 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | 0 | -170 | -77.5 | -173.8 | 175.3 | 0 | 0 | 111.1 | S1739 G1785 | S1739-E1783 WeakPolarHBondContact CB-O 3.45Å; E1783-G1785 VanDerWaalsContact C-N 3.3Å |
| 1784 | S | 73.6 | Confident | 77.8 | Confident | 89 Ų | 89 | 52.4 Ų | 52.4 | 62% | 0.622 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -58.3 | 0 | 0 | 0 | 0 | 110.3 | H1737 A1782 | H1737-S1784 CarbonylContact C-O 3.42Å; H1737-S1784 WeakPolarHBondContact CA-O 2.79Å; A1782-S1784 PolarHBondContact O-N 3.25Å | |
| 1785 | G | 77.6 | Confident | 78.4 | Confident | 7 Ų | 7 | 51.1 Ų | 51.1 | 7% | 0.072 | 27% | 0.265 | C | S | . | . | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1738 A1782 E1783 | E1738-G1785 WeakPolarHBondContact O-CA 3.2Å; A1782-G1785 PolarHBondContact O-N 2.62Å; E1783-G1785 VanDerWaalsContact C-N 3.3Å | |||
| 1786 | I | 75.5 | Confident | 79.2 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | 0 | 123.3 | 0 | -60 | 175.1 | 0 | 0 | 0 | 108.6 | P1736 H1737 F1740 F1768 D1788 Y1792 V1810 | P1736-I1786 WeakPolarHBondContact CA-O 3.46Å; H1737-I1786 PolarHBondContact N-O 2.85Å; F1740-I1786 HydrophobicContact CE1-CD1 3.92Å; F1740-I1786 HydrophobicContact CE1-CG1 3.91Å; F1740-I1786 HydrophobicContact CZ-CD1 3.82Å; F1740-I1786 HydrophobicContact CZ-CG1 4.23Å; F1768-I1786 HydrophobicContact CE1-CD1 4.21Å; F1768-I1786 HydrophobicContact CE1-CG1 4.43Å; F1768-I1786 HydrophobicContact CZ-CD1 3.95Å; F1768-I1786 HydrophobicContact CZ-CG1 4.3Å; I1786-D1788 VanDerWaalsContact C-N 3.27Å; I1786-Y1792 HydrophobicContact CB-CE2 4.42Å; I1786-Y1792 HydrophobicContact CD1-CD1 4.36Å; I1786-Y1792 HydrophobicContact CD1-CD2 3.96Å; I1786-Y1792 HydrophobicContact CD1-CE2 4.18Å; I1786-Y1792 HydrophobicContact CD1-CG 4.05Å; I1786-Y1792 HydrophobicContact CG2-CD2 4.47Å; I1786-Y1792 HydrophobicContact CG2-CE1 4.05Å; I1786-Y1792 HydrophobicContact CG2-CE2 3.64Å; I1786-Y1792 VanDerWaalsContact CG2-OH 3.28Å; I1786-Y1792 WeakPolarHBondContact CG2-OH 3.42Å; I1786-V1810 HydrophobicContact CB-CG2 3.99Å; I1786-V1810 HydrophobicContact CD1-CG2 4.41Å; I1786-V1810 HydrophobicContact CG2-CG2 4.43Å; I1786-V1810 WeakPolarHBondContact O-CG1 3.5Å | |||
| 1787 | A | 64.3 | Low | 79.5 | Confident | 42 Ų | 42 | 42.7 Ų | 42.7 | 35% | 0.347 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -71.7 | -30 | -171.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | P1736 H1737 P1789 | P1736-A1787 WeakPolarHBondContact CB-O 3.43Å; H1737-A1787 WeakPolarHBondContact CE1-CB 3.28Å; H1737-A1787 WeakPolarHBondContact NE2-CB 3.48Å; A1787-P1789 VanDerWaalsContact O-CD 3.29Å; A1787-P1789 WeakPolarHBondContact O-CD 3.28Å |
| 1788 | D | 62.9 | Low | 79 | Confident | 101 Ų | 101 | 42 Ų | 42 | 54% | 0.54 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -92.2 | 121.2 | -171 | -66.4 | -38.3 | 0 | 0 | 0 | 110.3 | I1786 Y1792 V1810 | I1786-D1788 VanDerWaalsContact C-N 3.27Å; D1788-Y1792 WeakPolarHBondContact CB-OH 3.18Å; D1788-Y1792 WeakPolarHBondContact O-CE2 3.21Å; D1788-Y1792 PolarHBondContact O-OH 2.84Å; D1788-V1810 WeakPolarHBondContact O-CG1 3.34Å |
| 1789 | P | 57.6 | Low | 77.7 | Confident | 54 Ų | 54 | 47.5 Ų | 47.5 | 35% | 0.351 | 27% | 0.268 | S | S | . | . | trans | -59.6 | 134.4 | 172.5 | -3.9 | 7.4 | 0 | 0 | 0 | 112.2 | A1787 V1810 | A1787-P1789 VanDerWaalsContact O-CD 3.29Å; A1787-P1789 WeakPolarHBondContact O-CD 3.28Å; P1789-V1810 CarbonylContact C-O 3.55Å; P1789-V1810 WeakPolarHBondContact CA-O 3.32Å; P1789-V1810 WeakPolarHBondContact CB-O 3.41Å | ||
| 1790 | G | 72.1 | Confident | 76 | Confident | 29 Ų | 29 | 51.6 Ų | 51.6 | 30% | 0.299 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.8 | 0 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y1792 V1810 | G1790-Y1792 WeakPolarHBondContact O-CD2 3Å; G1790-Y1792 WeakPolarHBondContact O-CE2 3.35Å; G1790-V1810 PolarHBondContact N-O 2.79Å; G1790-V1810 PolarHBondContact O-N 3.5Å |
| 1791 | K | 79.2 | Confident | 74.6 | Confident | 140 Ų | 140 | 52.6 Ų | 52.6 | 61% | 0.609 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | 0 | 120 | 0 | -83 | -173.8 | -174.5 | 179.2 | 0 | 110.3 | Q1809 | K1791-Q1809 VanDerWaalsContact CE-OE1 3.25Å; K1791-Q1809 HydrophobicContact CG-CB 4.24Å; K1791-Q1809 HydrophobicContact CG-CG 3.6Å | |
| 1792 | Y | 84.6 | Confident | 73.2 | Confident | 34 Ų | 34 | 52.7 Ų | 52.7 | 13% | 0.133 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 0 | -179.5 | -61.5 | -93.3 | 0 | 0 | 0 | 108.8 | L1757 I1786 D1788 G1790 V1807 V1808 V1810 | L1757-Y1792 HydrophobicContact CD1-CD1 4.34Å; I1786-Y1792 HydrophobicContact CB-CE2 4.42Å; I1786-Y1792 HydrophobicContact CD1-CD1 4.36Å; I1786-Y1792 HydrophobicContact CD1-CD2 3.96Å; I1786-Y1792 HydrophobicContact CD1-CE2 4.18Å; I1786-Y1792 HydrophobicContact CD1-CG 4.05Å; I1786-Y1792 HydrophobicContact CG2-CD2 4.47Å; I1786-Y1792 HydrophobicContact CG2-CE1 4.05Å; I1786-Y1792 HydrophobicContact CG2-CE2 3.64Å; I1786-Y1792 VanDerWaalsContact CG2-OH 3.28Å; I1786-Y1792 WeakPolarHBondContact CG2-OH 3.42Å; D1788-Y1792 WeakPolarHBondContact CB-OH 3.18Å; D1788-Y1792 WeakPolarHBondContact O-CE2 3.21Å; D1788-Y1792 PolarHBondContact O-OH 2.84Å; G1790-Y1792 WeakPolarHBondContact O-CD2 3Å; G1790-Y1792 WeakPolarHBondContact O-CE2 3.35Å; Y1792-V1807 CarbonylContact O-C 3.4Å; Y1792-V1807 WeakPolarHBondContact O-CA 3.49Å; Y1792-V1808 PolarHBondContact N-O 2.6Å; Y1792-V1808 PolarHBondContact O-N 3.22Å; Y1792-V1810 HydrophobicContact CD2-CG2 3.75Å; Y1792-V1810 HydrophobicContact CE2-CB 4Å; Y1792-V1810 HydrophobicContact CE2-CG2 3.58Å |
| 1793 | S | 85.1 | Confident | 72.7 | Confident | 38 Ų | 38 | 56 Ų | 56 | 27% | 0.266 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 115.5 | 0 | 57.7 | 0 | 0 | 0 | 0 | 110 | E1758 I1806 | E1758-S1793 PolarHBondContact N-O 2.58Å; S1793-I1806 CarbonylContact C-O 3.53Å; S1793-I1806 WeakPolarHBondContact CA-O 3.38Å | |
| 1794 | F | 88.4 | Confident | 72.6 | Confident | 1 Ų | 1 | 55 Ų | 55 | 0% | 0.004 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 0 | 174.1 | -67.2 | -96.9 | 0 | 0 | 0 | 109.6 | F1742 I1755 T1756 L1757 V1762 F1768 T1805 I1806 V1808 | F1742-F1794 HydrophobicContact CE1-CD1 4.27Å; F1742-F1794 HydrophobicContact CE1-CD2 4.4Å; F1742-F1794 HydrophobicContact CE1-CG 4.19Å; F1742-F1794 HydrophobicContact CZ-CB 3.97Å; F1742-F1794 AromaticContact CZ-CD1 3.9Å; F1742-F1794 HydrophobicContact CZ-CD1 3.9Å; F1742-F1794 AromaticContact CZ-CG 3.91Å; F1742-F1794 HydrophobicContact CZ-CG 3.91Å; I1755-F1794 HydrophobicContact CG2-CB 4.48Å; I1755-F1794 HydrophobicContact CG2-CD1 4.22Å; T1756-F1794 VanDerWaalsContact O-CA 3.31Å; T1756-F1794 WeakPolarHBondContact O-CA 3.23Å; L1757-F1794 HydrophobicContact CB-CD1 4.04Å; L1757-F1794 HydrophobicContact CB-CE1 3.8Å; L1757-F1794 HydrophobicContact CB-CZ 4.44Å; L1757-F1794 HydrophobicContact CD1-CD1 3.85Å; L1757-F1794 HydrophobicContact CD1-CD2 3.87Å; L1757-F1794 HydrophobicContact CD1-CE1 3.47Å; L1757-F1794 VanDerWaalsContact CD1-CE1 3.47Å; L1757-F1794 HydrophobicContact CD1-CE2 3.49Å; L1757-F1794 VanDerWaalsContact CD1-CE2 3.49Å; L1757-F1794 HydrophobicContact CD1-CG 4.03Å; L1757-F1794 HydrophobicContact CD1-CZ 3.29Å; L1757-F1794 HydrophobicContact CD2-CE1 4.33Å; L1757-F1794 HydrophobicContact CD2-CZ 4.29Å; L1757-F1794 HydrophobicContact CG-CE1 4.07Å; L1757-F1794 HydrophobicContact CG-CZ 4.21Å; V1762-F1794 HydrophobicContact CG2-CD1 3.74Å; V1762-F1794 HydrophobicContact CG2-CE1 3.73Å; F1768-F1794 HydrophobicContact CE1-CE1 4.11Å; F1768-F1794 AromaticContact CE1-CZ 3.71Å; F1768-F1794 HydrophobicContact CE1-CZ 3.71Å; F1768-F1794 HydrophobicContact CE2-CE1 4.26Å; F1768-F1794 HydrophobicContact CE2-CZ 4.28Å; F1768-F1794 AromaticContact CZ-CE1 3.89Å; F1768-F1794 HydrophobicContact CZ-CE1 3.89Å; F1768-F1794 AromaticContact CZ-CZ 3.5Å; F1768-F1794 HydrophobicContact CZ-CZ 3.5Å; F1768-F1794 VanDerWaalsContact CZ-CZ 3.5Å; F1794-T1805 CarbonylContact O-C 3.53Å; F1794-T1805 VanDerWaalsContact O-C 3.23Å; F1794-T1805 WeakPolarHBondContact O-CA 3.19Å; F1794-T1805 VanDerWaalsContact O-CG2 3.26Å; F1794-T1805 WeakPolarHBondContact O-CG2 3.42Å; F1794-I1806 HydrophobicContact CB-CG2 3.14Å; F1794-I1806 HydrophobicContact CD2-CG2 4.27Å; F1794-I1806 HydrophobicContact CG-CG2 4.09Å; F1794-I1806 PolarHBondContact N-O 2.57Å; F1794-I1806 WeakPolarHBondContact O-CG2 3.32Å; F1794-I1806 PolarHBondContact O-N 2.82Å; F1794-V1808 HydrophobicContact CD2-CB 4.46Å; F1794-V1808 HydrophobicContact CD2-CG2 3.71Å; F1794-V1808 HydrophobicContact CE2-CB 4.07Å; F1794-V1808 HydrophobicContact CE2-CG2 3.61Å |
| 1795 | T | 86.3 | Confident | 72.9 | Confident | 31 Ų | 31 | 54.6 Ų | 54.6 | 19% | 0.19 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -52.8 | 0 | 0 | 0 | 0 | 109.5 | I1755 T1756 T1797 K1804 T1805 | I1755-T1795 WeakPolarHBondContact CA-O 3.33Å; T1756-T1795 PolarHBondContact N-O 2.46Å; T1756-T1795 PolarHBondContact O-N 2.87Å; T1795-T1797 HydrophobicContact CG2-CG2 3.91Å; T1795-K1804 CarbonylContact C-O 3.59Å; T1795-T1805 HydrophobicContact CG2-CG2 3.81Å; T1795-T1805 WeakPolarHBondContact OG1-CG2 3.3Å | |
| 1796 | C | 86 | Confident | 73.3 | Confident | 4 Ų | 4 | 54.4 Ų | 54.4 | 3% | 0.027 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 126.2 | 0 | -173.6 | 0 | 0 | 0 | 0 | 109.9 | I1725 I1727 C1744 S1803 K1804 | I1725-C1796 HydrophobicContact CG2-CB 4.04Å; I1725-C1796 WeakPolarHBondContact CG2-SG 3.48Å; I1727-C1796 HydrophobicContact CD1-CB 3.65Å; I1727-C1796 HydrophobicContact CG1-CB 4Å; C1744-C1796 HydrophobicContact CB-CB 4.28Å; C1744-C1796 WeakPolarHBondContact CB-SG 3.33Å; C1744-C1796 WeakPolarHBondContact SG-CB 2.74Å; C1744-C1796 CovalentContact SG-SG 1.68Å; C1744-C1796 PolarHBondContact SG-SG 2.97Å; C1796-S1803 CarbonylContact O-C 3.55Å; C1796-S1803 VanDerWaalsContact O-CA 3.29Å; C1796-S1803 WeakPolarHBondContact O-CA 2.89Å; C1796-K1804 WeakPolarHBondContact CA-O 3.46Å; C1796-K1804 PolarHBondContact N-O 2.94Å; C1796-K1804 PolarHBondContact O-N 2.7Å | |
| 1797 | T | 78.5 | Confident | 73.5 | Confident | 51 Ų | 51 | 57 Ų | 57 | 31% | 0.313 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 0 | -177.1 | 50.9 | 0 | 0 | 0 | 0 | 108.8 | P1753 Q1754 T1795 | P1753-T1797 WeakPolarHBondContact CA-O 3.46Å; Q1754-T1797 PolarHBondContact N-O 3.08Å; Q1754-T1797 PolarHBondContact O-N 2.66Å; Q1754-T1797 PolarHBondContact O-OG1 2.73Å; T1795-T1797 HydrophobicContact CG2-CG2 3.91Å |
| 1798 | V | 74.4 | Confident | 74.4 | Confident | 7 Ų | 7 | 55 Ų | 55 | 4% | 0.042 | 33% | 0.327 | C | S | . | . | 0 | 131.4 | 0 | 179.7 | 0 | 0 | 0 | 0 | 108.1 | I1725 M1748 P1753 S1800 A1801 | I1725-V1798 HydrophobicContact CD1-CB 3.75Å; I1725-V1798 HydrophobicContact CD1-CG2 3.7Å; I1725-V1798 HydrophobicContact CG1-CB 3.79Å; I1725-V1798 HydrophobicContact CG1-CG2 3.5Å; I1725-V1798 VanDerWaalsContact CG1-CG2 3.5Å; M1748-V1798 HydrophobicContact CE-CG1 4.49Å; P1753-V1798 HydrophobicContact CB-CG2 3.98Å; P1753-V1798 HydrophobicContact CG-CG2 4.33Å; V1798-S1800 PolarHBondContact O-N 2.82Å; V1798-S1800 VanDerWaalsContact O-N 3.12Å; V1798-A1801 HydrophobicContact CB-CB 4.26Å; V1798-A1801 PolarHBondContact O-N 2.67Å | |||
| 1799 | V | 60.3 | Low | 75 | Confident | 117 Ų | 117 | 53.6 Ų | 53.6 | 71% | 0.709 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 0 | -178 | -176.3 | 0 | 0 | 0 | 0 | 109.5 | ||
| 1800 | S | 52.6 | Low | 75.4 | Confident | 109 Ų | 109 | 51.1 Ų | 51.1 | 76% | 0.762 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -56.1 | 0 | 0 | 0 | 0 | 110.5 | V1798 | V1798-S1800 PolarHBondContact O-N 2.82Å; V1798-S1800 VanDerWaalsContact O-N 3.12Å | |
| 1801 | A | 56.3 | Low | 74.6 | Confident | 20 Ų | 20 | 55.4 Ų | 55.4 | 17% | 0.165 | 31% | 0.314 | C | S | . | . | S | Bend | 0 | 137.9 | 0 | 0 | 0 | 0 | 0 | 0 | 110.2 | I1725 V1798 S1803 | I1725-A1801 HydrophobicContact CD1-CB 3.89Å; I1725-A1801 HydrophobicContact CG1-CB 3.79Å; V1798-A1801 HydrophobicContact CB-CB 4.26Å; V1798-A1801 PolarHBondContact O-N 2.67Å; A1801-S1803 PolarHBondContact O-N 2.66Å | |
| 1802 | P | 59.8 | Low | 73.2 | Confident | 97 Ų | 97 | 52.7 Ų | 52.7 | 63% | 0.63 | 31% | 0.312 | S | S | * | . | trans | -53.6 | 0 | 177 | 5.1 | -4 | 0 | 0 | 0 | 111.7 | I1725 | I1725-P1802 VanDerWaalsContact CD1-O 3.29Å; I1725-P1802 WeakPolarHBondContact CD1-O 3.08Å | ||
| 1803 | S | 72.5 | Confident | 71.5 | Confident | 71 Ų | 71 | 57.5 Ų | 57.5 | 50% | 0.497 | 35% | 0.345 | S | S | . | . | 0 | 0 | 0 | 53 | 0 | 0 | 0 | 0 | 111 | C1796 A1801 | C1796-S1803 CarbonylContact O-C 3.55Å; C1796-S1803 VanDerWaalsContact O-CA 3.29Å; C1796-S1803 WeakPolarHBondContact O-CA 2.89Å; A1801-S1803 PolarHBondContact O-N 2.66Å | |||
| 1804 | K | 77.5 | Confident | 70.2 | Confident | 111 Ų | 111 | 57.5 Ų | 57.5 | 48% | 0.483 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 136.4 | 0 | -95.4 | -166.1 | 179.5 | -174.2 | 0 | 110.5 | I1725 I1727 T1795 C1796 | I1725-K1804 HydrophobicContact CG2-CB 4.4Å; I1725-K1804 WeakPolarHBondContact O-CD 3.45Å; I1727-K1804 VanDerWaalsContact CD1-C 3.48Å; I1727-K1804 HydrophobicContact CD1-CB 3.34Å; I1727-K1804 VanDerWaalsContact CD1-O 3.31Å; I1727-K1804 WeakPolarHBondContact CD1-O 2.68Å; I1727-K1804 HydrophobicContact CG1-CB 4.17Å; T1795-K1804 CarbonylContact C-O 3.59Å; C1796-K1804 WeakPolarHBondContact CA-O 3.46Å; C1796-K1804 PolarHBondContact N-O 2.94Å; C1796-K1804 PolarHBondContact O-N 2.7Å | |
| 1805 | T | 79.6 | Confident | 68.3 | Low | 82 Ų | 82 | 61.3 Ų | 61.3 | 50% | 0.503 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 138.3 | -175.9 | 5 | 0 | 0 | 0 | 0 | 109.5 | F1794 T1795 | F1794-T1805 CarbonylContact O-C 3.53Å; F1794-T1805 VanDerWaalsContact O-C 3.23Å; F1794-T1805 WeakPolarHBondContact O-CA 3.19Å; F1794-T1805 VanDerWaalsContact O-CG2 3.26Å; F1794-T1805 WeakPolarHBondContact O-CG2 3.42Å; T1795-T1805 HydrophobicContact CG2-CG2 3.81Å; T1795-T1805 WeakPolarHBondContact OG1-CG2 3.3Å |
| 1806 | I | 85.4 | Confident | 66.5 | Low | 2 Ų | 2 | 66.3 Ų | 66.3 | 1% | 0.01 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 0 | 169.9 | 180 | 168.7 | 0 | 0 | 0 | 109.8 | I1727 P1729 S1730 I1732 F1742 S1793 F1794 | I1727-I1806 HydrophobicContact CG2-CB 4Å; I1727-I1806 HydrophobicContact CG2-CD1 3.97Å; I1727-I1806 HydrophobicContact CG2-CG1 4.49Å; P1729-I1806 WeakPolarHBondContact O-CD1 3.46Å; S1730-I1806 VanDerWaalsContact O-CG1 3.24Å; S1730-I1806 WeakPolarHBondContact O-CG1 3.49Å; I1732-I1806 HydrophobicContact CD1-CD1 4.03Å; I1732-I1806 HydrophobicContact CG1-CD1 4.22Å; F1742-I1806 HydrophobicContact CB-CD1 3.76Å; F1742-I1806 HydrophobicContact CD1-CD1 4.32Å; F1742-I1806 HydrophobicContact CD2-CD1 4.25Å; F1742-I1806 HydrophobicContact CD2-CG2 4.29Å; F1742-I1806 HydrophobicContact CE2-CG2 4.07Å; F1742-I1806 HydrophobicContact CG-CD1 3.88Å; F1742-I1806 HydrophobicContact CZ-CG2 4.23Å; S1793-I1806 CarbonylContact C-O 3.53Å; S1793-I1806 WeakPolarHBondContact CA-O 3.38Å; F1794-I1806 HydrophobicContact CB-CG2 3.14Å; F1794-I1806 HydrophobicContact CD2-CG2 4.27Å; F1794-I1806 HydrophobicContact CG-CG2 4.09Å; F1794-I1806 PolarHBondContact N-O 2.57Å; F1794-I1806 WeakPolarHBondContact O-CG2 3.32Å; F1794-I1806 PolarHBondContact O-N 2.82Å |
| 1807 | V | 80.4 | Confident | 64.8 | Low | 56 Ų | 56 | 68.2 Ų | 68.2 | 34% | 0.339 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | T1731 I1732 Y1792 | T1731-V1807 HydrophobicContact CG2-CB 4.17Å; I1732-V1807 PolarHBondContact N-O 2.72Å; Y1792-V1807 CarbonylContact O-C 3.4Å; Y1792-V1807 WeakPolarHBondContact O-CA 3.49Å | |
| 1808 | V | 83.4 | Confident | 64.3 | Low | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 110.2 | 0 | -179 | 0 | 0 | 0 | 0 | 109.5 | I1732 T1734 F1740 Y1792 F1794 V1810 | I1732-V1808 HydrophobicContact CB-CG1 4.41Å; I1732-V1808 HydrophobicContact CB-CG2 4.18Å; I1732-V1808 HydrophobicContact CG2-CG1 4.34Å; I1732-V1808 CarbonylContact O-C 3.56Å; I1732-V1808 VanDerWaalsContact O-CA 3.23Å; I1732-V1808 WeakPolarHBondContact O-CA 3.12Å; T1734-V1808 HydrophobicContact CG2-CG1 3.82Å; F1740-V1808 HydrophobicContact CD1-CG1 4.43Å; F1740-V1808 HydrophobicContact CE1-CG1 4.05Å; F1740-V1808 HydrophobicContact CE2-CG1 4.14Å; F1740-V1808 HydrophobicContact CE2-CG2 3.99Å; F1740-V1808 HydrophobicContact CZ-CG1 3.89Å; F1740-V1808 HydrophobicContact CZ-CG2 4.39Å; Y1792-V1808 PolarHBondContact N-O 2.6Å; Y1792-V1808 PolarHBondContact O-N 3.22Å; F1794-V1808 HydrophobicContact CD2-CB 4.46Å; F1794-V1808 HydrophobicContact CD2-CG2 3.71Å; F1794-V1808 HydrophobicContact CE2-CB 4.07Å; F1794-V1808 HydrophobicContact CE2-CG2 3.61Å; V1808-V1810 HydrophobicContact CG1-CG2 4.35Å | |
| 1809 | Q | 74.4 | Confident | 63.5 | Low | 71 Ų | 71 | 72.7 Ų | 72.7 | 33% | 0.332 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 0 | -179 | -160.9 | 164.3 | -18.3 | 0 | 0 | 110.4 | I1732 L1733 T1734 K1791 | I1732-Q1809 PolarHBondContact O-N 2.79Å; L1733-Q1809 HydrophobicContact CD2-CB 3.58Å; L1733-Q1809 HydrophobicContact CD2-CG 4.32Å; T1734-Q1809 PolarHBondContact N-O 2.61Å; K1791-Q1809 VanDerWaalsContact CE-OE1 3.25Å; K1791-Q1809 HydrophobicContact CG-CB 4.24Å; K1791-Q1809 HydrophobicContact CG-CG 3.6Å |
| 1810 | V | 67.8 | Low | 63.9 | Low | 3 Ų | 3 | 73.5 Ų | 73.5 | 2% | 0.018 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 104.1 | 0 | -176.2 | 0 | 0 | 0 | 0 | 108.7 | T1734 P1736 I1786 D1788 P1789 G1790 Y1792 V1808 | T1734-V1810 HydrophobicContact CG2-CG2 3.76Å; T1734-V1810 VanDerWaalsContact O-CA 3.23Å; T1734-V1810 WeakPolarHBondContact O-CA 3.28Å; P1736-V1810 HydrophobicContact CB-CG1 4.4Å; P1736-V1810 HydrophobicContact CG-CG1 4.1Å; I1786-V1810 HydrophobicContact CB-CG2 3.99Å; I1786-V1810 HydrophobicContact CD1-CG2 4.41Å; I1786-V1810 HydrophobicContact CG2-CG2 4.43Å; I1786-V1810 WeakPolarHBondContact O-CG1 3.5Å; D1788-V1810 WeakPolarHBondContact O-CG1 3.34Å; P1789-V1810 CarbonylContact C-O 3.55Å; P1789-V1810 WeakPolarHBondContact CA-O 3.32Å; P1789-V1810 WeakPolarHBondContact CB-O 3.41Å; G1790-V1810 PolarHBondContact N-O 2.79Å; G1790-V1810 PolarHBondContact O-N 3.5Å; Y1792-V1810 HydrophobicContact CD2-CG2 3.75Å; Y1792-V1810 HydrophobicContact CE2-CB 4Å; Y1792-V1810 HydrophobicContact CE2-CG2 3.58Å; V1808-V1810 HydrophobicContact CG1-CG2 4.35Å | |
| 1811 | E | 53.6 | Low | 64.8 | Low | 119 Ų | 119 | 68.5 Ų | 68.5 | 56% | 0.556 | 40% | 0.398 | S | S | * | . | trans | -69.9 | 0 | -171.7 | -76.9 | -174.1 | 167.7 | 0 | 0 | 110.9 | T1734 P1736 | T1734-E1811 PolarHBondContact O-N 3.44Å; P1736-E1811 VanDerWaalsContact CD-O 3.24Å; P1736-E1811 WeakPolarHBondContact CD-O 3.45Å; P1736-E1811 WeakPolarHBondContact CG-O 3.24Å | ||
| 1812 | S | 49.7 | Very low | 65.1 | Low | 83 Ų | 83 | 75.5 Ų | 75.5 | 58% | 0.58 | 43% | 0.425 | S | S | * | . | 0 | 0 | 0 | 84.3 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1813 | V | 49.8 | Very low | 65 | Low | 134 Ų | 134 | 74.8 Ų | 74.8 | 81% | 0.812 | 42% | 0.416 | S | S | * | . | 0 | 0 | 0 | -168.7 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 1814 | C | 56.8 | Low | 64.2 | Low | 38 Ų | 38 | 73.1 Ų | 73.1 | 26% | 0.257 | 41% | 0.41 | S | S | . | . | S | Bend | 0 | 137.5 | 0 | -69.8 | 0 | 0 | 0 | 0 | 109.2 | C1826 | C1814-C1826 HydrophobicContact CB-CB 4.3Å; C1814-C1826 WeakPolarHBondContact CB-SG 3.4Å; C1814-C1826 CovalentContact SG-SG 2.12Å; C1814-C1826 PolarHBondContact SG-SG 2.84Å | |
| 1815 | P | 50 | Low | 63.9 | Low | 81 Ų | 81 | 71 Ų | 71 | 53% | 0.526 | 41% | 0.406 | S | S | . | . | trans | -61.8 | 142.5 | -175.8 | -5.8 | 9.1 | 0 | 0 | 0 | 111.9 | G1817 Y1818 | P1815-G1817 PolarHBondContact O-N 1.21Å; P1815-Y1818 PolarHBondContact O-N 3.05Å | ||
| 1816 | P | 48.8 | Very low | 63.4 | Low | 136 Ų | 136 | 69.4 Ų | 69.4 | 88% | 0.883 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47 | 117.9 | -177.5 | -5 | 11.6 | 0 | 0 | 0 | 111.8 | ||
| 1817 | G | 49.2 | Very low | 62.5 | Low | 44 Ų | 44 | 70 Ų | 70 | 45% | 0.454 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 116.7 | 0 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | P1815 S1829 | P1815-G1817 PolarHBondContact O-N 1.21Å; G1817-S1829 PolarHBondContact O-N 2.68Å |
| 1818 | Y | 68.1 | Low | 61.6 | Low | 115 Ų | 115 | 70.4 Ų | 70.4 | 45% | 0.451 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -73.3 | -99.2 | 0 | 0 | 0 | 109.4 | P1815 C1826 I1827 L1828 | P1815-Y1818 PolarHBondContact O-N 3.05Å; Y1818-C1826 HydrophobicContact CD1-CB 4.28Å; Y1818-C1826 HydrophobicContact CG-CB 4.42Å; Y1818-I1827 CarbonylContact C-O 3.39Å; Y1818-I1827 VanDerWaalsContact C-O 3.27Å; Y1818-I1827 WeakPolarHBondContact CA-O 3.17Å; Y1818-L1828 HydrophobicContact CD1-CD2 4.48Å; Y1818-L1828 HydrophobicContact CE1-CD2 4.08Å; Y1818-L1828 HydrophobicContact CE1-CG 4.12Å; Y1818-L1828 HydrophobicContact CE2-CD2 4.31Å | |
| 1819 | S | 57.8 | Low | 60.9 | Low | 37 Ų | 37 | 73.5 Ų | 73.5 | 26% | 0.259 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -51.5 | 0 | 0 | 0 | 0 | 110.6 | C1826 I1827 S1829 | S1819-C1826 CarbonylContact O-C 3.47Å; S1819-C1826 WeakPolarHBondContact O-CA 3.39Å; S1819-I1827 PolarHBondContact N-O 2.77Å; S1819-I1827 WeakPolarHBondContact O-CG1 3.16Å; S1819-I1827 PolarHBondContact O-N 2.67Å; S1819-S1829 WeakPolarHBondContact OG-CA 2.89Å; S1819-S1829 PolarHBondContact OG-OG 2.78Å | |
| 1820 | K | 67.7 | Low | 60.8 | Low | 135 Ų | 135 | 76.6 Ų | 76.6 | 59% | 0.587 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | 0 | 130.5 | 0 | -172.8 | 178.6 | 178.8 | -179.9 | 0 | 110.5 | T1825 | K1820-T1825 CarbonylContact C-O 3.42Å; K1820-T1825 WeakPolarHBondContact CA-O 3.49Å | |
| 1821 | C | 72.3 | Confident | 60.9 | Low | 3 Ų | 3 | 78.7 Ų | 78.7 | 2% | 0.02 | 45% | 0.446 | C | S | . | . | trans | -74.1 | 0 | 167.4 | -72.9 | 0 | 0 | 0 | 0 | 110.3 | D1823 G1824 T1825 C1839 | C1821-D1823 VanDerWaalsContact CB-OD1 3.31Å; C1821-D1823 WeakPolarHBondContact CB-OD1 2.63Å; C1821-D1823 PolarHBondContact O-N 2.69Å; C1821-G1824 PolarHBondContact O-N 2.68Å; C1821-T1825 WeakPolarHBondContact CB-O 3.34Å; C1821-T1825 WeakPolarHBondContact CB-OG1 3.28Å; C1821-T1825 PolarHBondContact N-O 2.62Å; C1821-C1839 HydrophobicContact CB-CB 3.68Å; C1821-C1839 WeakPolarHBondContact CB-SG 3.17Å; C1821-C1839 WeakPolarHBondContact SG-CA 3.45Å; C1821-C1839 WeakPolarHBondContact SG-CB 3.38Å; C1821-C1839 CovalentContact SG-SG 1.42Å; C1821-C1839 PolarHBondContact SG-SG 3.06Å | ||
| 1822 | K | 63.4 | Low | 61.5 | Low | 168 Ų | 168 | 75.5 Ų | 75.5 | 73% | 0.73 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | -22.5 | 0 | -138.5 | 177.3 | -179.9 | 178.5 | 0 | 111.7 | D1841 S1843 | K1822-D1841 WeakPolarHBondContact CB-OD2 3.3Å; K1822-S1843 WeakPolarHBondContact CB-OG 3.49Å | |
| 1823 | D | 57.2 | Low | 62.4 | Low | 81 Ų | 81 | 74.6 Ų | 74.6 | 43% | 0.433 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 8.2 | 178.6 | 61 | -6.4 | 0 | 0 | 0 | 110.1 | C1821 T1825 | C1821-D1823 VanDerWaalsContact CB-OD1 3.31Å; C1821-D1823 WeakPolarHBondContact CB-OD1 2.63Å; C1821-D1823 PolarHBondContact O-N 2.69Å; D1823-T1825 PolarHBondContact OD1-N 2.79Å; D1823-T1825 PolarHBondContact OD1-OG1 3.42Å |
| 1824 | G | 55.8 | Low | 62.9 | Low | 36 Ų | 36 | 71.2 Ų | 71.2 | 37% | 0.371 | 40% | 0.401 | S | S | . | . | S | Bend | trans | 102.2 | 0 | 168 | 0 | 0 | 0 | 0 | 0 | 111.6 | C1821 | C1821-G1824 PolarHBondContact O-N 2.68Š|
| 1825 | T | 70.4 | Confident | 63.1 | Low | 66 Ų | 66 | 72.6 Ų | 72.6 | 41% | 0.405 | 42% | 0.421 | S | S | . | . | 0 | 138.8 | 0 | 34 | 0 | 0 | 0 | 0 | 110.3 | K1820 C1821 D1823 | K1820-T1825 CarbonylContact C-O 3.42Å; K1820-T1825 WeakPolarHBondContact CA-O 3.49Å; C1821-T1825 WeakPolarHBondContact CB-O 3.34Å; C1821-T1825 WeakPolarHBondContact CB-OG1 3.28Å; C1821-T1825 PolarHBondContact N-O 2.62Å; D1823-T1825 PolarHBondContact OD1-N 2.79Å; D1823-T1825 PolarHBondContact OD1-OG1 3.42Å | |||
| 1826 | C | 70.1 | Confident | 63.3 | Low | 49 Ų | 49 | 73.8 Ų | 73.8 | 33% | 0.331 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 0 | -177 | -66.6 | 0 | 0 | 0 | 0 | 110.1 | C1814 Y1818 S1819 | C1814-C1826 HydrophobicContact CB-CB 4.3Å; C1814-C1826 WeakPolarHBondContact CB-SG 3.4Å; C1814-C1826 CovalentContact SG-SG 2.12Å; C1814-C1826 PolarHBondContact SG-SG 2.84Å; Y1818-C1826 HydrophobicContact CD1-CB 4.28Å; Y1818-C1826 HydrophobicContact CG-CB 4.42Å; S1819-C1826 CarbonylContact O-C 3.47Å; S1819-C1826 WeakPolarHBondContact O-CA 3.39Å |
| 1827 | I | 66.1 | Low | 64.2 | Low | 16 Ų | 16 | 70.3 Ų | 70.3 | 8% | 0.082 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 160.2 | 0 | 57.5 | 171.6 | 0 | 0 | 0 | 108.6 | Y1818 S1819 Q1831 F1832 H1838 D1844 | Y1818-I1827 CarbonylContact C-O 3.39Å; Y1818-I1827 VanDerWaalsContact C-O 3.27Å; Y1818-I1827 WeakPolarHBondContact CA-O 3.17Å; S1819-I1827 PolarHBondContact N-O 2.77Å; S1819-I1827 WeakPolarHBondContact O-CG1 3.16Å; S1819-I1827 PolarHBondContact O-N 2.67Å; I1827-Q1831 HydrophobicContact CD1-CB 4.26Å; I1827-F1832 HydrophobicContact CD1-CD2 3.56Å; I1827-F1832 HydrophobicContact CD1-CE2 3.99Å; I1827-F1832 HydrophobicContact CG1-CD2 4.12Å; I1827-F1832 HydrophobicContact CG1-CE2 4.44Å; I1827-H1838 HydrophobicContact CD1-CB 4.19Å; I1827-H1838 HydrophobicContact CG2-CB 4.36Å; I1827-D1844 HydrophobicContact CD1-CB 3.75Å | |
| 1828 | L | 62.1 | Low | 65.2 | Low | 64 Ų | 64 | 71.5 Ų | 71.5 | 34% | 0.335 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 129.4 | 178.4 | -73.7 | 164.4 | 0 | 0 | 0 | 111 | Y1818 H1830 Q1831 | Y1818-L1828 HydrophobicContact CD1-CD2 4.48Å; Y1818-L1828 HydrophobicContact CE1-CD2 4.08Å; Y1818-L1828 HydrophobicContact CE1-CG 4.12Å; Y1818-L1828 HydrophobicContact CE2-CD2 4.31Å; L1828-H1830 PolarHBondContact O-N 2.77Å; L1828-Q1831 HydrophobicContact CB-CG 4.21Å; L1828-Q1831 VanDerWaalsContact O-CB 3.26Å; L1828-Q1831 WeakPolarHBondContact O-CB 2.12Å; L1828-Q1831 PolarHBondContact O-N 3.02Å |
| 1829 | S | 67.4 | Low | 65.4 | Low | 65 Ų | 65 | 66.3 Ų | 66.3 | 46% | 0.455 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -51 | -27.2 | -169.7 | -68.7 | 0 | 0 | 0 | 0 | 111.2 | G1817 S1819 Q1831 | G1817-S1829 PolarHBondContact O-N 2.68Å; S1819-S1829 WeakPolarHBondContact OG-CA 2.89Å; S1819-S1829 PolarHBondContact OG-OG 2.78Å; S1829-Q1831 PolarHBondContact O-N 3.17Å |
| 1830 | H | 72.2 | Confident | 66.1 | Low | 136 Ų | 136 | 76.2 Ų | 76.2 | 63% | 0.63 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -82.9 | 0 | -178.1 | 70.8 | -90.5 | 0 | 0 | 0 | 110.9 | L1828 F1832 | L1828-H1830 PolarHBondContact O-N 2.77Å; H1830-F1832 VanDerWaalsContact C-N 3.28Å; H1830-F1832 PolarHBondContact O-N 2.55Å |
| 1831 | Q | 70.4 | Confident | 66.1 | Low | 46 Ų | 46 | 72.9 Ų | 72.9 | 22% | 0.215 | 40% | 0.399 | C | S | . | . | G | 310 helix | 0 | 12.3 | 0 | -71.6 | -178.6 | -23.1 | 0 | 0 | 109.8 | I1827 L1828 S1829 H1838 D1844 | I1827-Q1831 HydrophobicContact CD1-CB 4.26Å; L1828-Q1831 HydrophobicContact CB-CG 4.21Å; L1828-Q1831 VanDerWaalsContact O-CB 3.26Å; L1828-Q1831 WeakPolarHBondContact O-CB 2.12Å; L1828-Q1831 PolarHBondContact O-N 3.02Å; S1829-Q1831 PolarHBondContact O-N 3.17Å; Q1831-H1838 HydrophobicContact CB-CB 4.16Å; Q1831-H1838 WeakPolarHBondContact CB-CD2 3.46Å; Q1831-H1838 PolarHBondContact O-CD2 2.83Å; Q1831-H1838 VanDerWaalsContact O-CD2 3.24Å; Q1831-D1844 VanDerWaalsContact O-OD2 3.09Å | |
| 1832 | F | 67.1 | Low | 65.6 | Low | 53 Ų | 53 | 74 Ų | 74 | 23% | 0.232 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 0 | -179.4 | -132.1 | -96.2 | 0 | 0 | 0 | 109.3 | I1827 H1830 D1844 | I1827-F1832 HydrophobicContact CD1-CD2 3.56Å; I1827-F1832 HydrophobicContact CD1-CE2 3.99Å; I1827-F1832 HydrophobicContact CG1-CD2 4.12Å; I1827-F1832 HydrophobicContact CG1-CE2 4.44Å; H1830-F1832 VanDerWaalsContact C-N 3.28Å; H1830-F1832 PolarHBondContact O-N 2.55Å; F1832-D1844 HydrophobicContact CD2-CB 3.93Å; F1832-D1844 HydrophobicContact CE2-CB 3.97Å; F1832-D1844 HydrophobicContact CG-CB 4.24Å; F1832-D1844 HydrophobicContact CZ-CB 4.33Å |
| 1833 | C | 67.6 | Low | 65.8 | Low | 63 Ų | 63 | 66.7 Ų | 66.7 | 43% | 0.426 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 36.8 | 0 | -68.3 | 0 | 0 | 0 | 0 | 110.6 | D1844 C1850 | C1833-D1844 PolarHBondContact N-O 3.14Å; C1833-C1850 HydrophobicContact CB-CB 4.29Å; C1833-C1850 WeakPolarHBondContact CB-SG 3.15Å; C1833-C1850 WeakPolarHBondContact SG-CB 2.94Å; C1833-C1850 CovalentContact SG-SG 1.83Å; C1833-C1850 PolarHBondContact SG-SG 2.8Å | |
| 1834 | D | 59.8 | Low | 66.3 | Low | 64 Ų | 64 | 62.9 Ų | 62.9 | 34% | 0.342 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -106.8 | 16.5 | -177.3 | 64.1 | -8.6 | 0 | 0 | 0 | 110.3 | I1836 H1838 E1845 | D1834-I1836 PolarHBondContact O-N 3.39Å; D1834-I1836 PolarHBondContact OD1-N 3.02Å; D1834-H1838 IonicContact OD1-CD2 3.32Å; D1834-H1838 IonicContact OD1-NE2 3.35Å; D1834-H1838 IonicContact OD2-CD2 3.85Å; D1834-H1838 PolarHBondContact OD2-CD2 3.01Å; D1834-H1838 IonicContact OD2-NE2 3.82Å; D1834-H1838 PolarHBondContact OD2-NE2 2.68Å; D1834-H1838 VanDerWaalsContact OD2-NE2 3.09Å; D1834-E1845 PolarHBondContact N-OE1 3.04Å |
| 1835 | G | 61.5 | Low | 66.7 | Low | 66 Ų | 66 | 63.5 Ų | 63.5 | 68% | 0.68 | 35% | 0.354 | S | S | * | . | S | Bend | trans | 84.9 | -5.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1845 | G1835-E1845 WeakPolarHBondContact CA-OE2 3.18Å; G1835-E1845 PolarHBondContact N-OE1 2.31Å; G1835-E1845 PolarHBondContact N-OE2 3.36Å |
| 1836 | I | 55.2 | Low | 66.2 | Low | 107 Ų | 107 | 63.9 Ų | 63.9 | 55% | 0.549 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -122.7 | 126.2 | 178.3 | -59.6 | 171.1 | 0 | 0 | 0 | 108.2 | D1834 H1838 E1845 | D1834-I1836 PolarHBondContact O-N 3.39Å; D1834-I1836 PolarHBondContact OD1-N 3.02Å; I1836-H1838 PolarHBondContact O-CD2 2.96Å; I1836-H1838 VanDerWaalsContact O-CD2 3.25Å; I1836-H1838 PolarHBondContact O-N 3.21Å; I1836-E1845 PolarHBondContact N-OE1 2.78Å |
| 1837 | A | 66.6 | Low | 65.2 | Low | 63 Ų | 63 | 69.5 Ų | 69.5 | 52% | 0.521 | 37% | 0.373 | S | S | . | . | trans | -72.7 | 102.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | D1844 E1845 | A1837-D1844 WeakPolarHBondContact CA-OD1 3.14Å; A1837-E1845 HydrophobicContact CB-CG 4.48Å | ||
| 1838 | H | 70.9 | Confident | 64.3 | Low | 69 Ų | 69 | 77.1 Ų | 77.1 | 32% | 0.319 | 41% | 0.413 | S | S | . | . | trans | -94 | 0 | 179.4 | -72.4 | -75.2 | 0 | 0 | 0 | 110.4 | I1827 Q1831 D1834 I1836 D1844 | I1827-H1838 HydrophobicContact CD1-CB 4.19Å; I1827-H1838 HydrophobicContact CG2-CB 4.36Å; Q1831-H1838 HydrophobicContact CB-CB 4.16Å; Q1831-H1838 WeakPolarHBondContact CB-CD2 3.46Å; Q1831-H1838 PolarHBondContact O-CD2 2.83Å; Q1831-H1838 VanDerWaalsContact O-CD2 3.24Å; D1834-H1838 IonicContact OD1-CD2 3.32Å; D1834-H1838 IonicContact OD1-NE2 3.35Å; D1834-H1838 IonicContact OD2-CD2 3.85Å; D1834-H1838 PolarHBondContact OD2-CD2 3.01Å; D1834-H1838 IonicContact OD2-NE2 3.82Å; D1834-H1838 PolarHBondContact OD2-NE2 2.68Å; D1834-H1838 VanDerWaalsContact OD2-NE2 3.09Å; I1836-H1838 PolarHBondContact O-CD2 2.96Å; I1836-H1838 VanDerWaalsContact O-CD2 3.25Å; I1836-H1838 PolarHBondContact O-N 3.21Å; H1838-D1844 IonicContact CD2-OD2 3.1Å; H1838-D1844 PolarHBondContact N-OD1 3.35Å; H1838-D1844 PolarHBondContact N-OD2 3.29Å | ||
| 1839 | C | 71.2 | Confident | 63.8 | Low | 6 Ų | 6 | 83.2 Ų | 83.2 | 4% | 0.041 | 43% | 0.431 | C | S | . | . | S | Bend | 0 | 0 | 0 | -76.3 | 0 | 0 | 0 | 0 | 110.5 | C1821 D1841 G1842 D1844 | C1821-C1839 HydrophobicContact CB-CB 3.68Å; C1821-C1839 WeakPolarHBondContact CB-SG 3.17Å; C1821-C1839 WeakPolarHBondContact SG-CA 3.45Å; C1821-C1839 WeakPolarHBondContact SG-CB 3.38Å; C1821-C1839 CovalentContact SG-SG 1.42Å; C1821-C1839 PolarHBondContact SG-SG 3.06Å; C1839-D1841 VanDerWaalsContact CB-OD1 3.28Å; C1839-D1841 WeakPolarHBondContact CB-OD1 3.5Å; C1839-D1841 PolarHBondContact O-N 2.92Å; C1839-D1841 VanDerWaalsContact O-N 3.17Å; C1839-G1842 VanDerWaalsContact C-N 3.31Å; C1839-G1842 WeakPolarHBondContact O-CA 3.18Å; C1839-G1842 PolarHBondContact O-N 3.46Å; C1839-D1844 HydrophobicContact CB-CB 4.35Å; C1839-D1844 PolarHBondContact N-OD1 3.21Å | |
| 1840 | R | 72.6 | Confident | 63 | Low | 244 Ų | 244 | 81.3 Ų | 81.3 | 92% | 0.921 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | -29.9 | 0 | -126.2 | 177.7 | -171.6 | 174.6 | -0.8 | 111.1 | G1842 | R1840-G1842 VanDerWaalsContact C-N 3.29Š| |
| 1841 | D | 67.6 | Low | 61.6 | Low | 65 Ų | 65 | 81 Ų | 81 | 35% | 0.348 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 0 | -179.8 | 73.1 | -15.8 | 0 | 0 | 0 | 110.8 | K1822 C1839 S1843 | K1822-D1841 WeakPolarHBondContact CB-OD2 3.3Å; C1839-D1841 VanDerWaalsContact CB-OD1 3.28Å; C1839-D1841 WeakPolarHBondContact CB-OD1 3.5Å; C1839-D1841 PolarHBondContact O-N 2.92Å; C1839-D1841 VanDerWaalsContact O-N 3.17Å; D1841-S1843 VanDerWaalsContact CG-CB 3.46Å; D1841-S1843 PolarHBondContact O-N 3.21Å; D1841-S1843 WeakPolarHBondContact OD1-CA 3.36Å; D1841-S1843 WeakPolarHBondContact OD1-CB 3.05Å; D1841-S1843 PolarHBondContact OD1-N 2.47Å; D1841-S1843 PolarHBondContact OD1-OG 3.02Å; D1841-S1843 VanDerWaalsContact OD2-CB 3.29Å; D1841-S1843 WeakPolarHBondContact OD2-CB 3.34Å; D1841-S1843 PolarHBondContact OD2-OG 3.24Å |
| 1842 | G | 62.9 | Low | 59.9 | Low | 27 Ų | 27 | 86.6 Ų | 86.6 | 28% | 0.278 | 45% | 0.454 | S | S | . | . | trans | 78.1 | 14.7 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | C1839 R1840 D1844 E1845 | C1839-G1842 VanDerWaalsContact C-N 3.31Å; C1839-G1842 WeakPolarHBondContact O-CA 3.18Å; C1839-G1842 PolarHBondContact O-N 3.46Å; R1840-G1842 VanDerWaalsContact C-N 3.29Å; G1842-D1844 VanDerWaalsContact C-N 3.25Å; G1842-D1844 PolarHBondContact O-N 3.1Å; G1842-E1845 PolarHBondContact O-N 3.2Å | ||
| 1843 | S | 68.5 | Low | 58.2 | Low | 14 Ų | 14 | 91.3 Ų | 91.3 | 10% | 0.098 | 49% | 0.487 | C | S | . | . | G | 310 helix | trans | -73.8 | -26.6 | -170.7 | -68.4 | 0 | 0 | 0 | 0 | 110.8 | K1822 D1841 E1845 D1846 | K1822-S1843 WeakPolarHBondContact CB-OG 3.49Å; D1841-S1843 VanDerWaalsContact CG-CB 3.46Å; D1841-S1843 PolarHBondContact O-N 3.21Å; D1841-S1843 WeakPolarHBondContact OD1-CA 3.36Å; D1841-S1843 WeakPolarHBondContact OD1-CB 3.05Å; D1841-S1843 PolarHBondContact OD1-N 2.47Å; D1841-S1843 PolarHBondContact OD1-OG 3.02Å; D1841-S1843 VanDerWaalsContact OD2-CB 3.29Å; D1841-S1843 WeakPolarHBondContact OD2-CB 3.34Å; D1841-S1843 PolarHBondContact OD2-OG 3.24Å; S1843-E1845 PolarHBondContact O-N 3.5Å; S1843-E1845 VanDerWaalsContact O-N 3.17Å; S1843-D1846 PolarHBondContact O-N 3.46Å |
| 1844 | D | 66.4 | Low | 56.7 | Low | 1 Ų | 1 | 93.7 Ų | 93.7 | 1% | 0.005 | 50% | 0.5 | C | S | . | . | G | 310 helix | trans | -69.4 | -1.2 | 178.6 | 67.8 | -42.6 | 0 | 0 | 0 | 111.5 | I1827 Q1831 F1832 C1833 A1837 H1838 C1839 G1842 | I1827-D1844 HydrophobicContact CD1-CB 3.75Å; Q1831-D1844 VanDerWaalsContact O-OD2 3.09Å; F1832-D1844 HydrophobicContact CD2-CB 3.93Å; F1832-D1844 HydrophobicContact CE2-CB 3.97Å; F1832-D1844 HydrophobicContact CG-CB 4.24Å; F1832-D1844 HydrophobicContact CZ-CB 4.33Å; C1833-D1844 PolarHBondContact N-O 3.14Å; A1837-D1844 WeakPolarHBondContact CA-OD1 3.14Å; H1838-D1844 IonicContact CD2-OD2 3.1Å; H1838-D1844 PolarHBondContact N-OD1 3.35Å; H1838-D1844 PolarHBondContact N-OD2 3.29Å; C1839-D1844 HydrophobicContact CB-CB 4.35Å; C1839-D1844 PolarHBondContact N-OD1 3.21Å; G1842-D1844 VanDerWaalsContact C-N 3.25Å; G1842-D1844 PolarHBondContact O-N 3.1Å |
| 1845 | E | 65.4 | Low | 56 | Low | 49 Ų | 49 | 93.6 Ų | 93.6 | 23% | 0.229 | 51% | 0.507 | C | S | . | . | G | 310 helix | trans | -128.8 | 12.6 | 177.6 | -61.1 | -70.1 | 161.8 | 0 | 0 | 109.9 | D1834 G1835 I1836 A1837 G1842 S1843 K1847 | D1834-E1845 PolarHBondContact N-OE1 3.04Å; G1835-E1845 WeakPolarHBondContact CA-OE2 3.18Å; G1835-E1845 PolarHBondContact N-OE1 2.31Å; G1835-E1845 PolarHBondContact N-OE2 3.36Å; I1836-E1845 PolarHBondContact N-OE1 2.78Å; A1837-E1845 HydrophobicContact CB-CG 4.48Å; G1842-E1845 PolarHBondContact O-N 3.2Å; S1843-E1845 PolarHBondContact O-N 3.5Å; S1843-E1845 VanDerWaalsContact O-N 3.17Å; E1845-K1847 PolarHBondContact O-N 3.03Å |
| 1846 | D | 59.1 | Low | 55.5 | Low | 75 Ų | 75 | 96.4 Ų | 96.4 | 40% | 0.401 | 51% | 0.507 | S | S | . | . | trans | -62.3 | 123.6 | -179.9 | -154.5 | -2.4 | 0 | 0 | 0 | 110.6 | S1843 L1848 R1849 C1850 | S1843-D1846 PolarHBondContact O-N 3.46Å; D1846-L1848 PolarHBondContact O-N 3.26Å; D1846-R1849 PolarHBondContact O-N 3.43Å; D1846-C1850 PolarHBondContact O-N 3.16Å; D1846-C1850 VanDerWaalsContact O-N 3.16Å | ||
| 1847 | K | 49.9 | Very low | 56 | Low | 167 Ų | 167 | 91.9 Ų | 91.9 | 73% | 0.726 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 0 | -169.9 | -77 | -169.8 | -178.2 | -180 | 0 | 110.7 | E1845 R1849 C1850 | E1845-K1847 PolarHBondContact O-N 3.03Å; K1847-R1849 PolarHBondContact O-N 2.72Å; K1847-C1850 PolarHBondContact O-N 2.27Å |
| 1848 | L | 46.8 | Very low | 56.5 | Low | 175 Ų | 175 | 96.4 Ų | 96.4 | 92% | 0.916 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | -17 | 0 | -144 | 92.8 | 0 | 0 | 0 | 110.7 | D1846 | D1846-L1848 PolarHBondContact O-N 3.26Š| |
| 1849 | R | 50.3 | Low | 57.2 | Low | 192 Ų | 192 | 93.2 Ų | 93.2 | 73% | 0.725 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | 0 | 179.8 | -114.1 | 177.2 | -157.6 | -125 | 1.7 | 111 | D1846 K1847 | D1846-R1849 PolarHBondContact O-N 3.43Å; K1847-R1849 PolarHBondContact O-N 2.72Å |
| 1850 | C | 52 | Low | 57.9 | Low | 26 Ų | 26 | 95.6 Ų | 95.6 | 18% | 0.176 | 48% | 0.483 | C | S | . | . | S | Bend | 0 | 0 | 0 | -71.5 | 0 | 0 | 0 | 0 | 108.8 | C1833 D1846 K1847 | C1833-C1850 HydrophobicContact CB-CB 4.29Å; C1833-C1850 WeakPolarHBondContact CB-SG 3.15Å; C1833-C1850 WeakPolarHBondContact SG-CB 2.94Å; C1833-C1850 CovalentContact SG-SG 1.83Å; C1833-C1850 PolarHBondContact SG-SG 2.8Å; D1846-C1850 PolarHBondContact O-N 3.16Å; D1846-C1850 VanDerWaalsContact O-N 3.16Å; K1847-C1850 PolarHBondContact O-N 2.27Å | |
| 1851 | P | 43 | Very low | 58.8 | Low | 129 Ų | 129 | 84.4 Ų | 84.4 | 84% | 0.838 | 44% | 0.441 | S | S | * | . | 0 | 0 | 0 | 7.7 | -2.3 | 0 | 0 | 0 | 111.7 | |||||
| 1852 | E | 32.8 | Very low | 59.8 | Low | 163 Ų | 163 | 81.8 Ų | 81.8 | 76% | 0.762 | 43% | 0.428 | S | S | * | . | 0 | 0 | 0 | -101.3 | -174.9 | 178.8 | 0 | 0 | 111.4 | |||||
| 1853 | V | 31.8 | Very low | 61 | Low | 152 Ų | 152 | 80.7 Ų | 80.7 | 92% | 0.921 | 42% | 0.415 | S | S | * | . | 0 | 0 | 0 | -175.3 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 1854 | T | 37.6 | Very low | 61.9 | Low | 114 Ų | 114 | 81.5 Ų | 81.5 | 70% | 0.699 | 43% | 0.426 | S | S | * | . | 0 | 0 | 0 | 51.2 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 1855 | A | 44.3 | Very low | 62.9 | Low | 61 Ų | 61 | 84.5 Ų | 84.5 | 50% | 0.504 | 44% | 0.44 | S | S | . | . | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.6 | I1857 | A1855-I1857 WeakPolarHBondContact O-CG1 3.45Å; A1855-I1857 PolarHBondContact O-N 2.87Å | |||
| 1856 | D | 51.6 | Low | 64 | Low | 125 Ų | 125 | 82.2 Ų | 82.2 | 67% | 0.668 | 43% | 0.429 | S | S | * | . | 0 | 75.9 | 0 | -141.4 | -1.9 | 0 | 0 | 0 | 111.3 | |||||
| 1857 | I | 65.6 | Low | 65.1 | Low | 13 Ų | 13 | 79.9 Ų | 79.9 | 7% | 0.067 | 42% | 0.415 | C | S | . | . | trans | -77.9 | 0 | 174.9 | -60.5 | 168.8 | 0 | 0 | 0 | 109.7 | A1855 T1880 R1882 T1885 S1934 P1935 S1936 | A1855-I1857 WeakPolarHBondContact O-CG1 3.45Å; A1855-I1857 PolarHBondContact O-N 2.87Å; I1857-T1880 HydrophobicContact CG2-CG2 4.15Å; I1857-R1882 HydrophobicContact CG2-CB 4.48Å; I1857-T1885 HydrophobicContact CD1-CG2 3.23Å; I1857-T1885 HydrophobicContact CG1-CG2 4.05Å; I1857-T1885 HydrophobicContact CG2-CG2 4.06Å; I1857-S1934 VanDerWaalsContact O-CB 3.32Å; I1857-S1934 WeakPolarHBondContact O-CB 2.75Å; I1857-S1934 PolarHBondContact O-OG 2.69Å; I1857-S1934 VanDerWaalsContact O-OG 3.04Å; I1857-P1935 HydrophobicContact CD1-CB 4.11Å; I1857-P1935 HydrophobicContact CD1-CG 4.12Å; I1857-S1936 PolarHBondContact N-OG 2.57Å; I1857-S1936 PolarHBondContact O-OG 3.03Å | ||
| 1858 | R | 76.9 | Confident | 66.6 | Low | 158 Ų | 158 | 72.2 Ų | 72.2 | 60% | 0.596 | 38% | 0.382 | S | S | * | . | 0 | 143 | 0 | -67.1 | -171.1 | -174.6 | 179.4 | -0.2 | 110.9 | T1880 D1881 E1938 | R1858-T1880 WeakPolarHBondContact O-CA 3.33Å; R1858-D1881 VanDerWaalsContact CB-OD2 3.24Å; R1858-D1881 WeakPolarHBondContact CB-OD2 3.44Å; R1858-D1881 PolarHBondContact N-OD1 3.28Å; R1858-D1881 PolarHBondContact O-N 2.94Å; R1858-D1881 VanDerWaalsContact O-OD1 3.07Å; R1858-E1938 WeakPolarHBondContact CA-OE2 3.15Å; R1858-E1938 WeakPolarHBondContact CB-OE2 3.33Å; R1858-E1938 PolarHBondContact N-OE2 2.39Å | |||
| 1859 | V | 85.6 | Confident | 68 | Low | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.006 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 132.9 | -174.9 | 69.4 | 0 | 0 | 0 | 0 | 108.4 | C1878 V1879 T1880 C1932 E1938 K1940 | V1859-C1878 VanDerWaalsContact CG2-SG 3.55Å; V1859-V1879 CarbonylContact C-O 3.4Å; V1859-V1879 WeakPolarHBondContact CA-O 3.23Å; V1859-T1880 HydrophobicContact CG2-CG2 4.33Å; V1859-C1932 HydrophobicContact CG2-CB 3.93Å; V1859-C1932 WeakPolarHBondContact CG2-SG 3.31Å; V1859-E1938 HydrophobicContact CG1-CB 4.29Å; V1859-E1938 HydrophobicContact CG1-CG 4.05Å; V1859-E1938 PolarHBondContact N-OE2 2.3Å; V1859-E1938 VanDerWaalsContact N-OE2 3.16Å; V1859-K1940 HydrophobicContact CG1-CB 3.82Å; V1859-K1940 HydrophobicContact CG1-CG 3.56Å; V1859-K1940 WeakPolarHBondContact O-CG 3.41Å |
| 1860 | H | 85.7 | Confident | 69.3 | Low | 57 Ų | 57 | 60.3 Ų | 60.3 | 26% | 0.264 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 0 | 173.6 | -69.5 | -80.4 | 0 | 0 | 0 | 110 | C1878 V1879 | H1860-C1878 CarbonylContact O-C 3.55Å; H1860-C1878 WeakPolarHBondContact O-CA 3.41Å; H1860-V1879 PolarHBondContact N-O 3.06Å; H1860-V1879 PolarHBondContact O-N 3.46Å |
| 1861 | F | 91.1 | Very high | 70.5 | Confident | 9 Ų | 9 | 61.4 Ų | 61.4 | 4% | 0.039 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 109.1 | 0 | -155.1 | 167.5 | 0 | 0 | 0 | 109.2 | G1864 L1876 E1877 C1878 I1915 I1930 C1932 K1940 | F1861-G1864 PolarHBondContact O-N 2.77Å; F1861-L1876 HydrophobicContact CE2-CB 3.64Å; F1861-L1876 HydrophobicContact CE2-CD1 4.3Å; F1861-L1876 HydrophobicContact CE2-CG 4.48Å; F1861-L1876 HydrophobicContact CZ-CB 4.31Å; F1861-L1876 HydrophobicContact CZ-CD1 4.21Å; F1861-E1877 CarbonylContact C-O 3.24Å; F1861-E1877 WeakPolarHBondContact CA-O 3.21Å; F1861-E1877 WeakPolarHBondContact CD2-O 2.56Å; F1861-C1878 HydrophobicContact CD2-CB 4.33Å; F1861-C1878 HydrophobicContact CE2-CB 4.41Å; F1861-I1915 HydrophobicContact CE2-CD1 4.06Å; F1861-I1915 HydrophobicContact CZ-CD1 3.75Å; F1861-I1930 HydrophobicContact CE1-CB 3.99Å; F1861-I1930 HydrophobicContact CE1-CG2 3.72Å; F1861-I1930 WeakPolarHBondContact CE1-O 3.18Å; F1861-I1930 HydrophobicContact CZ-CB 4.07Å; F1861-I1930 HydrophobicContact CZ-CG2 3.71Å; F1861-C1932 HydrophobicContact CB-CB 4.33Å; F1861-C1932 HydrophobicContact CD1-CB 3.53Å; F1861-C1932 HydrophobicContact CE1-CB 3.93Å; F1861-C1932 HydrophobicContact CG-CB 3.93Å; F1861-K1940 HydrophobicContact CB-CB 3.84Å; F1861-K1940 WeakPolarHBondContact CD1-O 3.2Å | |
| 1862 | T | 87.9 | Confident | 72.1 | Confident | 10 Ų | 10 | 58.4 Ų | 58.4 | 6% | 0.061 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 0 | -174.8 | -179.5 | 0 | 0 | 0 | 0 | 109.2 | L1876 E1877 D2156 F2178 L2179 | T1862-L1876 CarbonylContact O-C 3.32Å; T1862-E1877 HydrophobicContact CG2-CB 3.86Å; T1862-E1877 PolarHBondContact N-O 3.21Å; T1862-E1877 PolarHBondContact O-N 2.62Å; T1862-D2156 WeakPolarHBondContact CA-OD2 3.46Å; T1862-D2156 WeakPolarHBondContact CB-OD2 3.34Å; T1862-D2156 VanDerWaalsContact OG1-CB 3.27Å; T1862-D2156 WeakPolarHBondContact OG1-CB 2.87Å; T1862-D2156 PolarHBondContact OG1-OD2 3.18Å; T1862-F2178 HydrophobicContact CG2-CB 4.17Å; T1862-F2178 HydrophobicContact CG2-CD1 3.84Å; T1862-F2178 HydrophobicContact CG2-CG 4.5Å; T1862-L2179 PolarHBondContact OG1-N 2.98Å |
| 1863 | P | 89.5 | Confident | 74.5 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.019 | 30% | 0.303 | C | S | . | . | S | Bend | 0 | 142.2 | 0 | 21.2 | -23.1 | 0 | 0 | 0 | 111.9 | E1865 L1866 L1876 S1942 D2156 | P1863-E1865 PolarHBondContact O-N 2.9Å; P1863-L1866 HydrophobicContact CG-CB 4.21Å; P1863-L1866 HydrophobicContact CG-CD1 3.97Å; P1863-L1876 HydrophobicContact CG-CD2 3.83Å; P1863-S1942 PolarHBondContact O-OG 2.58Å; P1863-D2156 WeakPolarHBondContact CA-OD2 2.95Å; P1863-D2156 HydrophobicContact CB-CB 4.37Å; P1863-D2156 WeakPolarHBondContact CB-O 2.99Å; P1863-D2156 WeakPolarHBondContact CB-OD2 3Å | |
| 1864 | G | 86.6 | Confident | 77.2 | Confident | 31 Ų | 31 | 45.9 Ų | 45.9 | 32% | 0.32 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -61.8 | -31.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F1861 S1942 T1943 | F1861-G1864 PolarHBondContact O-N 2.77Å; G1864-S1942 CarbonylContact O-C 3.55Å; G1864-S1942 WeakPolarHBondContact O-CA 3.46Å; G1864-T1943 PolarHBondContact O-N 2.84Å |
| 1865 | E | 87.7 | Confident | 79.6 | Confident | 64 Ų | 64 | 44.4 Ų | 44.4 | 30% | 0.299 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 127.6 | 176.1 | -175.4 | 176.5 | 139.5 | 0 | 0 | 109.7 | P1863 R1867 T1943 F1945 N2118 | P1863-E1865 PolarHBondContact O-N 2.9Å; E1865-R1867 IonicContact OE1-NE 3.13Å; E1865-R1867 PolarHBondContact OE1-NE 3.2Å; E1865-R1867 IonicContact OE1-NH2 2.95Å; E1865-T1943 CarbonylContact C-O 3.58Å; E1865-T1943 WeakPolarHBondContact CA-O 3.13Å; E1865-F1945 HydrophobicContact CG-CD2 4.03Å; E1865-F1945 HydrophobicContact CG-CE2 3.69Å; E1865-N2118 PolarHBondContact O-ND2 2.91Å |
| 1866 | L | 87.5 | Confident | 81.8 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 125.6 | -179.8 | -174.7 | 70.3 | 0 | 0 | 0 | 109.6 | P1863 F1874 L1876 T1943 I1944 F1945 I2158 | P1863-L1866 HydrophobicContact CG-CB 4.21Å; P1863-L1866 HydrophobicContact CG-CD1 3.97Å; L1866-F1874 HydrophobicContact CD2-CB 3.43Å; L1866-F1874 VanDerWaalsContact CD2-CB 3.43Å; L1866-F1874 HydrophobicContact CD2-CD1 4.35Å; L1866-F1874 HydrophobicContact CD2-CD2 3.24Å; L1866-F1874 HydrophobicContact CD2-CE2 4.05Å; L1866-F1874 HydrophobicContact CD2-CG 3.42Å; L1866-F1874 VanDerWaalsContact CD2-CG 3.42Å; L1866-L1876 HydrophobicContact CD2-CD2 4.34Å; L1866-T1943 PolarHBondContact N-O 2.86Å; L1866-I1944 HydrophobicContact CB-CG1 4.47Å; L1866-I1944 CarbonylContact O-C 3.49Å; L1866-I1944 WeakPolarHBondContact O-CA 3.27Å; L1866-F1945 PolarHBondContact O-N 2.9Å; L1866-I2158 HydrophobicContact CD1-CD1 3.46Å; L1866-I2158 VanDerWaalsContact CD1-CD1 3.46Å; L1866-I2158 HydrophobicContact CD1-CG1 3.52Å; L1866-I2158 HydrophobicContact CG-CD1 4.22Å |
| 1867 | R | 82.7 | Confident | 83.6 | Confident | 27 Ų | 27 | 35.7 Ų | 35.7 | 10% | 0.102 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 126.9 | 173.4 | -67.7 | 178.5 | -178.8 | -90.7 | 2.3 | 109.8 | E1865 F1945 E1947 N2118 W2119 R2120 | E1865-R1867 IonicContact OE1-NE 3.13Å; E1865-R1867 PolarHBondContact OE1-NE 3.2Å; E1865-R1867 IonicContact OE1-NH2 2.95Å; R1867-F1945 WeakPolarHBondContact CA-O 3.35Å; R1867-F1945 HydrophobicContact CB-CB 4.44Å; R1867-F1945 HydrophobicContact CG-CB 3.71Å; R1867-F1945 HydrophobicContact CG-CD2 3.81Å; R1867-F1945 HydrophobicContact CG-CG 4.15Å; R1867-E1947 IonicContact CZ-OE1 3.1Å; R1867-E1947 IonicContact NH1-OE1 3.04Å; R1867-E1947 PolarHBondContact NH1-OE1 3.43Å; R1867-E1947 IonicContact NH1-OE2 3.92Å; R1867-N2118 HydrophobicContact CB-CB 4.16Å; R1867-N2118 WeakPolarHBondContact CB-O 3.37Å; R1867-W2119 VanDerWaalsContact O-CD1 3.3Å; R1867-R2120 VanDerWaalsContact CD-CZ 3.42Å; R1867-R2120 VanDerWaalsContact NE-NH2 3.15Å; R1867-R2120 VanDerWaalsContact NH1-CZ 3.3Å; R1867-R2120 VanDerWaalsContact NH2-CZ 3.32Å |
| 1868 | I | 81.3 | Confident | 84.9 | Confident | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 154.9 | -174.4 | -171.5 | 164.2 | 0 | 0 | 0 | 108.2 | R1872 A1873 F1874 I1944 F1945 I2158 | I1868-R1872 HydrophobicContact CD1-CB 3.43Å; I1868-R1872 VanDerWaalsContact CD1-CB 3.43Å; I1868-R1872 WeakPolarHBondContact CD1-O 3.08Å; I1868-R1872 HydrophobicContact CG1-CB 3.5Å; I1868-R1872 VanDerWaalsContact CG1-CB 3.5Å; I1868-A1873 WeakPolarHBondContact CD1-O 3.27Å; I1868-F1874 HydrophobicContact CD1-CB 3.64Å; I1868-F1874 HydrophobicContact CD1-CD1 3.61Å; I1868-F1874 HydrophobicContact CD1-CG 4.04Å; I1868-F1874 HydrophobicContact CG2-CD1 4.15Å; I1868-F1874 HydrophobicContact CG2-CE1 4.31Å; I1868-I1944 HydrophobicContact CG2-CG2 4.23Å; I1868-F1945 PolarHBondContact N-O 2.88Å; I1868-I2158 HydrophobicContact CD1-CD1 4.18Å |
| 1869 | Q | 76.7 | Confident | 85.4 | Confident | 69 Ų | 69 | 28.2 Ų | 28.2 | 32% | 0.322 | 16% | 0.159 | S | C | . | . | trans | -80.4 | 153.5 | 178.3 | -69.4 | -173.8 | -41.6 | 0 | 0 | 110.8 | G1871 R1872 W2119 | Q1869-G1871 PolarHBondContact O-N 3.12Å; Q1869-R1872 PolarHBondContact O-N 3.28Å; Q1869-W2119 HydrophobicContact CG-CD2 4.5Å | ||
| 1870 | P | 77.1 | Confident | 85.3 | Confident | 48 Ų | 48 | 28.3 Ų | 28.3 | 31% | 0.312 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 0 | -175.2 | -20.6 | 27.5 | 0 | 0 | 0 | 111.9 | L1921 A1923 I1946 | P1870-L1921 CarbonylContact C-O 3.39Å; P1870-L1921 WeakPolarHBondContact CA-O 3.23Å; P1870-A1923 HydrophobicContact CB-CB 4.34Å; P1870-A1923 HydrophobicContact CG-CB 3.97Å; P1870-I1946 HydrophobicContact CB-CG2 4.15Å; P1870-I1946 HydrophobicContact CG-CG2 3.86Å |
| 1871 | G | 76.7 | Confident | 84.9 | Confident | 49 Ų | 49 | 29.2 Ų | 29.2 | 51% | 0.505 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q1869 G1919 L1921 | Q1869-G1871 PolarHBondContact O-N 3.12Å; G1871-G1919 CarbonylContact C-O 3.55Å; G1871-G1919 WeakPolarHBondContact CA-O 3.39Å; G1871-G1919 VanDerWaalsContact O-O 3.12Å; G1871-L1921 PolarHBondContact N-O 2.89Å | |
| 1872 | R | 78.6 | Confident | 84 | Confident | 67 Ų | 67 | 34.6 Ų | 34.6 | 25% | 0.253 | 19% | 0.187 | S | C | . | . | 0 | 139.2 | 0 | -86.3 | -168.7 | 134.5 | 168.8 | -0.6 | 110.8 | I1868 Q1869 G1920 W2119 D2174 | I1868-R1872 HydrophobicContact CD1-CB 3.43Å; I1868-R1872 VanDerWaalsContact CD1-CB 3.43Å; I1868-R1872 WeakPolarHBondContact CD1-O 3.08Å; I1868-R1872 HydrophobicContact CG1-CB 3.5Å; I1868-R1872 VanDerWaalsContact CG1-CB 3.5Å; Q1869-R1872 PolarHBondContact O-N 3.28Å; R1872-G1920 WeakPolarHBondContact O-CA 3.41Å; R1872-W2119 CovalentContact NH1-CH2 1.86Å; R1872-W2119 CovalentContact NH1-CZ2 1.32Å; R1872-W2119 VanDerWaalsContact NH1-CZ3 3.25Å; R1872-D2174 IonicContact CZ-OD1 3.56Å; R1872-D2174 IonicContact CZ-OD2 3.05Å; R1872-D2174 IonicContact NE-OD2 2.41Å; R1872-D2174 IonicContact NH1-OD1 2.35Å; R1872-D2174 PolarHBondContact NH1-OD1 3.14Å; R1872-D2174 IonicContact NH1-OD2 3.95Å; R1872-D2174 IonicContact NH2-OD1 3.87Å | |||
| 1873 | A | 82.6 | Confident | 83 | Confident | 45 Ų | 45 | 39.3 Ų | 39.3 | 37% | 0.372 | 22% | 0.218 | S | C | . | . | trans | -75.6 | 147.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | I1868 V1917 P1918 F2176 | I1868-A1873 WeakPolarHBondContact CD1-O 3.27Å; A1873-V1917 WeakPolarHBondContact CA-O 3.47Å; A1873-P1918 VanDerWaalsContact CB-C 3.48Å; A1873-P1918 WeakPolarHBondContact CB-O 3.5Å; A1873-F2176 WeakPolarHBondContact O-CZ 3.33Å | ||
| 1874 | F | 87.6 | Confident | 81.9 | Confident | 7 Ų | 7 | 41.9 Ų | 41.9 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 165.1 | 176.4 | 60.4 | -89 | 0 | 0 | 0 | 109.4 | L1866 I1868 L1876 V1917 L1921 I1944 F2176 | L1866-F1874 HydrophobicContact CD2-CB 3.43Å; L1866-F1874 VanDerWaalsContact CD2-CB 3.43Å; L1866-F1874 HydrophobicContact CD2-CD1 4.35Å; L1866-F1874 HydrophobicContact CD2-CD2 3.24Å; L1866-F1874 HydrophobicContact CD2-CE2 4.05Å; L1866-F1874 HydrophobicContact CD2-CG 3.42Å; L1866-F1874 VanDerWaalsContact CD2-CG 3.42Å; I1868-F1874 HydrophobicContact CD1-CB 3.64Å; I1868-F1874 HydrophobicContact CD1-CD1 3.61Å; I1868-F1874 HydrophobicContact CD1-CG 4.04Å; I1868-F1874 HydrophobicContact CG2-CD1 4.15Å; I1868-F1874 HydrophobicContact CG2-CE1 4.31Å; F1874-L1876 HydrophobicContact CD2-CG 4.4Å; F1874-L1876 HydrophobicContact CE2-CD1 4.35Å; F1874-L1876 HydrophobicContact CE2-CG 4.39Å; F1874-V1917 HydrophobicContact CD1-CB 4.17Å; F1874-V1917 HydrophobicContact CD2-CG2 4.31Å; F1874-V1917 HydrophobicContact CE1-CB 3.77Å; F1874-V1917 HydrophobicContact CE1-CG1 3.97Å; F1874-V1917 HydrophobicContact CE1-CG2 4.09Å; F1874-V1917 HydrophobicContact CE2-CB 4.12Å; F1874-V1917 HydrophobicContact CE2-CG2 3.61Å; F1874-V1917 HydrophobicContact CZ-CB 3.73Å; F1874-V1917 HydrophobicContact CZ-CG1 4.13Å; F1874-V1917 HydrophobicContact CZ-CG2 3.48Å; F1874-V1917 VanDerWaalsContact CZ-CG2 3.48Å; F1874-V1917 PolarHBondContact N-O 3.02Å; F1874-V1917 PolarHBondContact O-N 3.49Å; F1874-L1921 HydrophobicContact CE1-CD1 3.99Å; F1874-L1921 HydrophobicContact CE1-CG 3.99Å; F1874-L1921 HydrophobicContact CZ-CD1 3.74Å; F1874-L1921 HydrophobicContact CZ-CG 4.12Å; F1874-I1944 HydrophobicContact CE1-CG2 4.46Å; F1874-I1944 HydrophobicContact CE2-CD1 3.88Å; F1874-I1944 HydrophobicContact CE2-CG1 4.24Å; F1874-I1944 HydrophobicContact CE2-CG2 4.44Å; F1874-I1944 HydrophobicContact CZ-CD1 4.11Å; F1874-I1944 HydrophobicContact CZ-CG2 4.08Å; F1874-F2176 HydrophobicContact CB-CE1 3.95Å; F1874-F2176 HydrophobicContact CB-CZ 4.32Å |
| 1875 | R | 87.6 | Confident | 81.2 | Confident | 82 Ų | 82 | 41.2 Ų | 41.2 | 31% | 0.309 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 0 | -175.1 | 172.3 | -178.2 | -74.4 | -178.4 | -0.9 | 110 | I1914 I1915 D1916 F2178 | R1875-I1914 HydrophobicContact CG-CG2 3.86Å; R1875-I1915 CarbonylContact C-O 3.44Å; R1875-I1915 WeakPolarHBondContact CA-O 2.85Å; R1875-D1916 VanDerWaalsContact CB-OD1 3.28Å; R1875-D1916 WeakPolarHBondContact CB-OD1 3.48Å; R1875-D1916 WeakPolarHBondContact CD-OD1 3.37Å; R1875-D1916 WeakPolarHBondContact CG-OD1 3.43Å; R1875-D1916 IonicContact CZ-OD1 2.01Å; R1875-D1916 IonicContact NE-OD1 3.41Å; R1875-D1916 PolarHBondContact NE-OD1 2.75Å; R1875-D1916 IonicContact NE-OD2 2Å; R1875-D1916 IonicContact NH2-OD1 2.98Å; R1875-D1916 IonicContact NH2-OD2 2.87Å; R1875-F2178 HydrophobicContact CB-CZ 3.94Å; R1875-F2178 HydrophobicContact CG-CE1 4.37Å; R1875-F2178 HydrophobicContact CG-CZ 3.87Å; R1875-F2178 WeakPolarHBondContact O-CE1 3.43Å |
| 1876 | L | 91.7 | Very high | 80.6 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | 0 | 151.4 | 0 | -57.1 | 171.2 | 0 | 0 | 0 | 109.9 | F1861 T1862 P1863 L1866 F1874 I1915 I1930 S1942 I1944 | F1861-L1876 HydrophobicContact CE2-CB 3.64Å; F1861-L1876 HydrophobicContact CE2-CD1 4.3Å; F1861-L1876 HydrophobicContact CE2-CG 4.48Å; F1861-L1876 HydrophobicContact CZ-CB 4.31Å; F1861-L1876 HydrophobicContact CZ-CD1 4.21Å; T1862-L1876 CarbonylContact O-C 3.32Å; P1863-L1876 HydrophobicContact CG-CD2 3.83Å; L1866-L1876 HydrophobicContact CD2-CD2 4.34Å; F1874-L1876 HydrophobicContact CD2-CG 4.4Å; F1874-L1876 HydrophobicContact CE2-CD1 4.35Å; F1874-L1876 HydrophobicContact CE2-CG 4.39Å; L1876-I1915 HydrophobicContact CB-CB 4.05Å; L1876-I1915 HydrophobicContact CB-CD1 4.25Å; L1876-I1915 PolarHBondContact N-O 3.07Å; L1876-I1915 PolarHBondContact O-N 2.8Å; L1876-I1930 HydrophobicContact CD1-CD1 3.9Å; L1876-S1942 WeakPolarHBondContact CD2-OG 3.38Å; L1876-I1944 HydrophobicContact CD1-CD1 3.73Å; L1876-I1944 HydrophobicContact CD1-CG1 4.33Å | |
| 1877 | E | 89.7 | Confident | 80.4 | Confident | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.019 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 0 | 179 | -74.9 | -173.7 | -177.8 | 0 | 0 | 110.1 | F1861 T1862 R1912 A1913 I1914 R2092 F2178 | F1861-E1877 CarbonylContact C-O 3.24Å; F1861-E1877 WeakPolarHBondContact CA-O 3.21Å; F1861-E1877 WeakPolarHBondContact CD2-O 2.56Å; T1862-E1877 HydrophobicContact CG2-CB 3.86Å; T1862-E1877 PolarHBondContact N-O 3.21Å; T1862-E1877 PolarHBondContact O-N 2.62Å; E1877-R1912 IonicContact OE1-CZ 3.91Å; E1877-R1912 IonicContact OE1-NH2 3.04Å; E1877-R1912 PolarHBondContact OE1-NH2 2.84Å; E1877-R1912 IonicContact OE2-NE 1.68Å; E1877-R1912 IonicContact OE2-NH2 2.89Å; E1877-A1913 WeakPolarHBondContact CA-O 3.37Å; E1877-I1914 HydrophobicContact CG-CG1 4.04Å; E1877-I1914 HydrophobicContact CG-CG2 4.49Å; E1877-R2092 IonicContact OE1-CZ 3.14Å; E1877-R2092 IonicContact OE1-NH2 2.1Å; E1877-R2092 PolarHBondContact OE1-NH2 3.01Å; E1877-R2092 IonicContact OE2-CZ 3.9Å; E1877-R2092 IonicContact OE2-NE 3.01Å; E1877-R2092 IonicContact OE2-NH1 3.99Å; E1877-R2092 IonicContact OE2-NH2 2.58Å; E1877-R2092 PolarHBondContact OE2-NH2 2.75Å; E1877-F2178 HydrophobicContact CG-CD1 4.43Å; E1877-F2178 HydrophobicContact CG-CE1 4.37Å |
| 1878 | C | 91.4 | Very high | 80.6 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 119.6 | 0 | -178.7 | 0 | 0 | 0 | 0 | 109.4 | V1859 H1860 F1861 L1889 A1913 C1932 | V1859-C1878 VanDerWaalsContact CG2-SG 3.55Å; H1860-C1878 CarbonylContact O-C 3.55Å; H1860-C1878 WeakPolarHBondContact O-CA 3.41Å; F1861-C1878 HydrophobicContact CD2-CB 4.33Å; F1861-C1878 HydrophobicContact CE2-CB 4.41Å; C1878-L1889 HydrophobicContact CB-CD2 3.7Å; C1878-A1913 HydrophobicContact CB-CB 4.35Å; C1878-A1913 PolarHBondContact N-O 3.23Å; C1878-A1913 PolarHBondContact O-N 3.09Å; C1878-C1932 HydrophobicContact CB-CB 3.76Å; C1878-C1932 WeakPolarHBondContact CB-SG 2.97Å; C1878-C1932 WeakPolarHBondContact SG-CB 3.22Å; C1878-C1932 CovalentContact SG-SG 1.21Å; C1878-C1932 PolarHBondContact SG-SG 2.85Å | |
| 1879 | V | 87.6 | Confident | 81 | Confident | 14 Ų | 14 | 44 Ų | 44 | 9% | 0.085 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 137.7 | -175.6 | -175.4 | 0 | 0 | 0 | 0 | 108.6 | V1859 H1860 E1911 R1912 P2181 | V1859-V1879 CarbonylContact C-O 3.4Å; V1859-V1879 WeakPolarHBondContact CA-O 3.23Å; H1860-V1879 PolarHBondContact N-O 3.06Å; H1860-V1879 PolarHBondContact O-N 3.46Å; V1879-E1911 CarbonylContact C-O 3.23Å; V1879-E1911 VanDerWaalsContact CA-O 3.3Å; V1879-E1911 WeakPolarHBondContact CA-O 3.24Å; V1879-R1912 HydrophobicContact CG2-CB 4.46Å; V1879-R1912 HydrophobicContact CG2-CG 3.75Å; V1879-P2181 HydrophobicContact CB-CG 4.33Å; V1879-P2181 HydrophobicContact CG1-CB 4.42Å; V1879-P2181 HydrophobicContact CG1-CG 3.97Å |
| 1880 | T | 84.5 | Confident | 81.6 | Confident | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 149 | 171.5 | 57.8 | 0 | 0 | 0 | 0 | 109.9 | I1857 R1858 V1859 R1882 T1885 P1887 E1911 | I1857-T1880 HydrophobicContact CG2-CG2 4.15Å; R1858-T1880 WeakPolarHBondContact O-CA 3.33Å; V1859-T1880 HydrophobicContact CG2-CG2 4.33Å; T1880-R1882 PolarHBondContact O-N 3.1Å; T1880-R1882 PolarHBondContact OG1-O 3.43Å; T1880-T1885 WeakPolarHBondContact CB-OG1 3.35Å; T1880-T1885 PolarHBondContact OG1-OG1 2.61Å; T1880-P1887 HydrophobicContact CG2-CB 3.74Å; T1880-P1887 HydrophobicContact CG2-CG 3.85Å; T1880-E1911 PolarHBondContact N-O 3.12Å; T1880-E1911 VanDerWaalsContact OG1-CA 3.23Å; T1880-E1911 WeakPolarHBondContact OG1-CA 3.33Å; T1880-E1911 WeakPolarHBondContact OG1-CB 3.32Å; T1880-E1911 PolarHBondContact OG1-O 3.26Å |
| 1881 | D | 77.4 | Confident | 82.2 | Confident | 76 Ų | 76 | 40.8 Ų | 40.8 | 41% | 0.406 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -81 | 0 | -171.3 | 56 | -11.3 | 0 | 0 | 0 | 110.4 | R1858 | R1858-D1881 VanDerWaalsContact CB-OD2 3.24Å; R1858-D1881 WeakPolarHBondContact CB-OD2 3.44Å; R1858-D1881 PolarHBondContact N-OD1 3.28Å; R1858-D1881 PolarHBondContact O-N 2.94Å; R1858-D1881 VanDerWaalsContact O-OD1 3.07Å |
| 1882 | R | 71.9 | Confident | 82.6 | Confident | 122 Ų | 122 | 43.1 Ų | 43.1 | 46% | 0.46 | 24% | 0.241 | S | C | . | . | S | Bend | 0 | 126.5 | 0 | -76.7 | -164.9 | -179.8 | -178.8 | 0.9 | 109.2 | I1857 T1880 T1885 E1911 | I1857-R1882 HydrophobicContact CG2-CB 4.48Å; T1880-R1882 PolarHBondContact O-N 3.1Å; T1880-R1882 PolarHBondContact OG1-O 3.43Å; R1882-T1885 HydrophobicContact CB-CG2 3.89Å; R1882-T1885 WeakPolarHBondContact O-CB 3.13Å; R1882-T1885 PolarHBondContact O-N 3.16Å; R1882-T1885 PolarHBondContact O-OG1 2.7Å; R1882-E1911 VanDerWaalsContact O-CB 3.22Å; R1882-E1911 WeakPolarHBondContact O-CB 3.3Å | |
| 1883 | P | 66.4 | Low | 82.5 | Confident | 109 Ų | 109 | 44.3 Ų | 44.3 | 71% | 0.708 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 137.2 | 176.4 | -5.8 | 9.8 | 0 | 0 | 0 | 111.6 | ||
| 1884 | G | 66.2 | Low | 82.1 | Confident | 57 Ų | 57 | 44 Ų | 44 | 59% | 0.588 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.4 | -0.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | T1910 | G1884-T1910 WeakPolarHBondContact CA-OG1 3.16Å; G1884-T1910 PolarHBondContact N-OG1 3Å |
| 1885 | T | 72 | Confident | 81.7 | Confident | 16 Ų | 16 | 50.1 Ų | 50.1 | 10% | 0.098 | 28% | 0.277 | C | S | . | . | trans | -97 | 0 | 178.2 | 52.3 | 0 | 0 | 0 | 0 | 109.3 | I1857 T1880 R1882 T1910 E1911 P1935 | I1857-T1885 HydrophobicContact CD1-CG2 3.23Å; I1857-T1885 HydrophobicContact CG1-CG2 4.05Å; I1857-T1885 HydrophobicContact CG2-CG2 4.06Å; T1880-T1885 WeakPolarHBondContact CB-OG1 3.35Å; T1880-T1885 PolarHBondContact OG1-OG1 2.61Å; R1882-T1885 HydrophobicContact CB-CG2 3.89Å; R1882-T1885 WeakPolarHBondContact O-CB 3.13Å; R1882-T1885 PolarHBondContact O-N 3.16Å; R1882-T1885 PolarHBondContact O-OG1 2.7Å; T1885-T1910 CarbonylContact C-O 3.55Å; T1885-T1910 CarbonylContact O-C 3.5Å; T1885-E1911 WeakPolarHBondContact O-CA 3.38Å; T1885-E1911 PolarHBondContact O-N 3.05Å; T1885-P1935 HydrophobicContact CG2-CG 4.48Å | ||
| 1886 | S | 75.2 | Confident | 81.5 | Confident | 63 Ų | 63 | 49.5 Ų | 49.5 | 44% | 0.441 | 28% | 0.283 | S | S | . | . | 0 | 102.7 | 0 | -166.5 | 0 | 0 | 0 | 0 | 110.1 | T1910 | S1886-T1910 WeakPolarHBondContact CA-O 3.2Š| |||
| 1887 | P | 84.5 | Confident | 81 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | trans | -66.7 | 144.6 | 176.8 | 24 | -28.5 | 0 | 0 | 0 | 112 | T1880 R1907 T1910 A1913 I1933 | T1880-P1887 HydrophobicContact CG2-CB 3.74Å; T1880-P1887 HydrophobicContact CG2-CG 3.85Å; P1887-R1907 PolarHBondContact O-NH1 2.88Å; P1887-R1907 PolarHBondContact O-NH2 3.23Å; P1887-R1907 VanDerWaalsContact O-NH2 3.09Å; P1887-T1910 WeakPolarHBondContact CD-O 3.08Å; P1887-A1913 HydrophobicContact CG-CB 4.46Å; P1887-I1933 CarbonylContact C-O 3.35Å; P1887-I1933 WeakPolarHBondContact CA-O 3.23Å | ||
| 1888 | V | 86 | Confident | 80.4 | Confident | 78 Ų | 78 | 54.3 Ų | 54.3 | 47% | 0.473 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 0 | 178.6 | 177.6 | 0 | 0 | 0 | 0 | 109.5 | I1933 | V1888-I1933 HydrophobicContact CB-CB 4.29Å; V1888-I1933 PolarHBondContact N-O 2.8Å; V1888-I1933 PolarHBondContact O-N 2.64Å |
| 1889 | L | 90.5 | Very high | 79.8 | Confident | 13 Ų | 13 | 57.3 Ų | 57.3 | 7% | 0.068 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -59.5 | 169 | 0 | 0 | 0 | 109.5 | C1878 I1897 V1905 A1913 I1915 E1931 C1932 | C1878-L1889 HydrophobicContact CB-CD2 3.7Å; L1889-I1897 HydrophobicContact CB-CB 4.43Å; L1889-I1897 HydrophobicContact CB-CD1 3.29Å; L1889-I1897 HydrophobicContact CB-CG1 3.98Å; L1889-I1897 HydrophobicContact CD1-CD1 4.44Å; L1889-I1897 HydrophobicContact CD2-CD1 4.4Å; L1889-I1897 HydrophobicContact CG-CD1 4.24Å; L1889-V1905 HydrophobicContact CD1-CB 4.45Å; L1889-V1905 HydrophobicContact CD1-CG1 3.5Å; L1889-V1905 VanDerWaalsContact CD1-CG1 3.5Å; L1889-V1905 HydrophobicContact CD1-CG2 4.08Å; L1889-A1913 HydrophobicContact CD1-CB 3.76Å; L1889-A1913 HydrophobicContact CG-CB 4.42Å; L1889-I1915 HydrophobicContact CD1-CD1 4.03Å; L1889-I1915 HydrophobicContact CD1-CG1 3.88Å; L1889-I1915 HydrophobicContact CD2-CD1 3.87Å; L1889-I1915 HydrophobicContact CG-CD1 4.46Å; L1889-E1931 WeakPolarHBondContact CA-O 3.48Å; L1889-C1932 HydrophobicContact CD2-CB 4.28Å | |
| 1890 | Q | 87.5 | Confident | 79.4 | Confident | 38 Ų | 38 | 58.1 Ų | 58.1 | 18% | 0.178 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | 63.6 | -177.6 | 20.5 | 0 | 0 | 109.3 | R1895 E1931 I1933 | Q1890-R1895 CarbonylContact C-O 3.27Å; Q1890-R1895 VanDerWaalsContact CA-O 3.28Å; Q1890-R1895 WeakPolarHBondContact CA-O 3.19Å; Q1890-R1895 WeakPolarHBondContact CB-O 3.29Å; Q1890-E1931 HydrophobicContact CG-CB 4.14Å; Q1890-E1931 PolarHBondContact N-O 2.69Å; Q1890-E1931 PolarHBondContact NE2-OE2 2.7Å; Q1890-E1931 PolarHBondContact O-N 2.69Å; Q1890-I1933 HydrophobicContact CG-CD1 3.97Å; Q1890-I1933 VanDerWaalsContact NE2-CD1 3.29Å | |
| 1891 | F | 91.1 | Very high | 79.3 | Confident | 13 Ų | 13 | 65.4 Ų | 65.4 | 6% | 0.057 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 159 | 0 | -68.3 | -75.8 | 0 | 0 | 0 | 111 | D1893 G1894 R1895 D1900 F1903 I1928 I1930 | F1891-D1893 WeakPolarHBondContact CB-OD1 3.37Å; F1891-D1893 PolarHBondContact O-N 3.11Å; F1891-G1894 PolarHBondContact O-N 2.92Å; F1891-R1895 HydrophobicContact CB-CB 4.5Å; F1891-R1895 HydrophobicContact CD2-CB 3.99Å; F1891-R1895 WeakPolarHBondContact CD2-O 3.19Å; F1891-R1895 PolarHBondContact N-O 2.71Å; F1891-D1900 HydrophobicContact CE2-CB 3.91Å; F1891-D1900 HydrophobicContact CZ-CB 3.7Å; F1891-F1903 AromaticContact CE1-CE2 4Å; F1891-F1903 HydrophobicContact CE1-CE2 4Å; F1891-F1903 AromaticContact CE1-CZ 3.99Å; F1891-F1903 HydrophobicContact CE1-CZ 3.99Å; F1891-F1903 HydrophobicContact CZ-CD2 4.02Å; F1891-F1903 AromaticContact CZ-CE2 3.81Å; F1891-F1903 HydrophobicContact CZ-CE2 3.81Å; F1891-F1903 HydrophobicContact CZ-CZ 4.25Å; F1891-I1928 HydrophobicContact CD1-CG2 4.09Å; F1891-I1928 HydrophobicContact CE1-CG2 3.92Å; F1891-I1930 HydrophobicContact CD1-CG1 4.43Å | |
| 1892 | I | 83.9 | Confident | 79.6 | Confident | 97 Ų | 97 | 66.1 Ų | 66.1 | 50% | 0.497 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -18.5 | -174.1 | -165.3 | 130.2 | 0 | 0 | 0 | 109.6 | G1894 I1929 | I1892-G1894 VanDerWaalsContact C-N 3.3Å; I1892-G1894 PolarHBondContact O-N 3.32Å; I1892-I1929 HydrophobicContact CB-CB 4.01Å; I1892-I1929 HydrophobicContact CB-CG2 4.18Å; I1892-I1929 HydrophobicContact CD1-CB 3.96Å; I1892-I1929 HydrophobicContact CD1-CD1 3.94Å; I1892-I1929 HydrophobicContact CD1-CG2 3.41Å; I1892-I1929 VanDerWaalsContact CD1-CG2 3.41Å; I1892-I1929 HydrophobicContact CG1-CG2 4.42Å; I1892-I1929 HydrophobicContact CG2-CB 4.45Å; I1892-I1929 PolarHBondContact N-O 2.79Å; I1892-I1929 VanDerWaalsContact N-O 3.11Å |
| 1893 | D | 77.4 | Confident | 80.3 | Confident | 93 Ų | 93 | 60.7 Ų | 60.7 | 50% | 0.497 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 0 | -178.3 | 57.6 | 3.9 | 0 | 0 | 0 | 110.6 | F1891 R1895 | F1891-D1893 WeakPolarHBondContact CB-OD1 3.37Å; F1891-D1893 PolarHBondContact O-N 3.11Å; D1893-R1895 VanDerWaalsContact CG-NE 3.33Å; D1893-R1895 WeakPolarHBondContact OD1-CB 3.48Å; D1893-R1895 PolarHBondContact OD1-N 3.04Å; D1893-R1895 IonicContact OD1-NE 2.51Å; D1893-R1895 PolarHBondContact OD1-NE 2.77Å; D1893-R1895 IonicContact OD2-CZ 3.64Å; D1893-R1895 IonicContact OD2-NE 3.6Å; D1893-R1895 PolarHBondContact OD2-NE 2.41Å; D1893-R1895 IonicContact OD2-NH2 3.98Å; D1893-R1895 PolarHBondContact OD2-NH2 2.51Å; D1893-R1895 VanDerWaalsContact OD2-NH2 3.09Å |
| 1894 | G | 74.6 | Confident | 81.2 | Confident | 38 Ų | 38 | 59.1 Ų | 59.1 | 39% | 0.392 | 34% | 0.337 | S | S | . | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.2 | F1891 I1892 | F1891-G1894 PolarHBondContact O-N 2.92Å; I1892-G1894 VanDerWaalsContact C-N 3.3Å; I1892-G1894 PolarHBondContact O-N 3.32Å | |
| 1895 | R | 79.4 | Confident | 82.1 | Confident | 135 Ų | 135 | 58.4 Ų | 58.4 | 51% | 0.509 | 32% | 0.321 | S | S | . | . | 0 | 134.5 | 0 | -71.8 | -176.1 | -63.4 | 151.5 | -2.4 | 110.7 | Q1890 F1891 D1893 | Q1890-R1895 CarbonylContact C-O 3.27Å; Q1890-R1895 VanDerWaalsContact CA-O 3.28Å; Q1890-R1895 WeakPolarHBondContact CA-O 3.19Å; Q1890-R1895 WeakPolarHBondContact CB-O 3.29Å; F1891-R1895 HydrophobicContact CB-CB 4.5Å; F1891-R1895 HydrophobicContact CD2-CB 3.99Å; F1891-R1895 WeakPolarHBondContact CD2-O 3.19Å; F1891-R1895 PolarHBondContact N-O 2.71Å; D1893-R1895 VanDerWaalsContact CG-NE 3.33Å; D1893-R1895 WeakPolarHBondContact OD1-CB 3.48Å; D1893-R1895 PolarHBondContact OD1-N 3.04Å; D1893-R1895 IonicContact OD1-NE 2.51Å; D1893-R1895 PolarHBondContact OD1-NE 2.77Å; D1893-R1895 IonicContact OD2-CZ 3.64Å; D1893-R1895 IonicContact OD2-NE 3.6Å; D1893-R1895 PolarHBondContact OD2-NE 2.41Å; D1893-R1895 IonicContact OD2-NH2 3.98Å; D1893-R1895 PolarHBondContact OD2-NH2 2.51Å; D1893-R1895 VanDerWaalsContact OD2-NH2 3.09Å | |||
| 1896 | P | 82.9 | Confident | 82.7 | Confident | 69 Ų | 69 | 60 Ų | 60 | 45% | 0.448 | 33% | 0.332 | S | S | . | . | B | Isolated β-bridge | trans | -62 | 140.7 | 176.9 | 17.5 | -18.5 | 0 | 0 | 0 | 111.5 | T1898 S1899 | P1896-T1898 PolarHBondContact O-N 2.89Å; P1896-S1899 WeakPolarHBondContact O-CB 3.17Å; P1896-S1899 PolarHBondContact O-N 3.48Å; P1896-S1899 PolarHBondContact O-OG 2.9Å |
| 1897 | I | 80.6 | Confident | 83.1 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -61.1 | -21.7 | -174.1 | -70.9 | 178.2 | 0 | 0 | 0 | 109.1 | L1889 S1899 D1900 F1903 V1905 I1915 I1930 | L1889-I1897 HydrophobicContact CB-CB 4.43Å; L1889-I1897 HydrophobicContact CB-CD1 3.29Å; L1889-I1897 HydrophobicContact CB-CG1 3.98Å; L1889-I1897 HydrophobicContact CD1-CD1 4.44Å; L1889-I1897 HydrophobicContact CD2-CD1 4.4Å; L1889-I1897 HydrophobicContact CG-CD1 4.24Å; I1897-S1899 PolarHBondContact O-N 2.66Å; I1897-S1899 VanDerWaalsContact O-N 3.17Å; I1897-D1900 PolarHBondContact O-N 2.77Å; I1897-D1900 VanDerWaalsContact O-N 3.14Å; I1897-F1903 HydrophobicContact CG2-CB 3.2Å; I1897-F1903 HydrophobicContact CG2-CD1 3.83Å; I1897-F1903 HydrophobicContact CG2-CD2 4.47Å; I1897-F1903 HydrophobicContact CG2-CG 3.61Å; I1897-V1905 HydrophobicContact CG2-CG2 4.17Å; I1897-I1915 HydrophobicContact CD1-CD1 3.73Å; I1897-I1930 HydrophobicContact CD1-CB 4.28Å; I1897-I1930 HydrophobicContact CD1-CD1 4.17Å; I1897-I1930 HydrophobicContact CD1-CG1 4.37Å; I1897-I1930 HydrophobicContact CD1-CG2 2.99Å; I1897-I1930 HydrophobicContact CG1-CG2 3.92Å |
| 1898 | T | 78 | Confident | 82.8 | Confident | 104 Ų | 104 | 65.4 Ų | 65.4 | 64% | 0.638 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -74.9 | 0 | -178.6 | 50.4 | 0 | 0 | 0 | 0 | 110.7 | P1896 D1900 | P1896-T1898 PolarHBondContact O-N 2.89Å; T1898-D1900 PolarHBondContact O-N 2.64Å |
| 1899 | S | 78 | Confident | 82.4 | Confident | 62 Ų | 62 | 63.4 Ų | 63.4 | 43% | 0.434 | 34% | 0.342 | S | S | . | . | G | 310 helix | 0 | -22.4 | 0 | 63.1 | 0 | 0 | 0 | 0 | 111.7 | P1896 I1897 | P1896-S1899 WeakPolarHBondContact O-CB 3.17Å; P1896-S1899 PolarHBondContact O-N 3.48Å; P1896-S1899 PolarHBondContact O-OG 2.9Å; I1897-S1899 PolarHBondContact O-N 2.66Å; I1897-S1899 VanDerWaalsContact O-N 3.17Å | |
| 1900 | D | 80 | Confident | 81.7 | Confident | 31 Ų | 31 | 66.5 Ų | 66.5 | 17% | 0.166 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -106.1 | 0 | 177.3 | -168.2 | -37.6 | 0 | 0 | 0 | 109.3 | F1891 I1897 T1898 R1902 F1903 | F1891-D1900 HydrophobicContact CE2-CB 3.91Å; F1891-D1900 HydrophobicContact CZ-CB 3.7Å; I1897-D1900 PolarHBondContact O-N 2.77Å; I1897-D1900 VanDerWaalsContact O-N 3.14Å; T1898-D1900 PolarHBondContact O-N 2.64Å; D1900-R1902 PolarHBondContact O-N 2.72Å; D1900-R1902 VanDerWaalsContact O-N 3.12Å; D1900-R1902 WeakPolarHBondContact OD1-CB 3.26Å; D1900-R1902 WeakPolarHBondContact OD1-CG 3.49Å; D1900-R1902 PolarHBondContact OD1-N 2.61Å; D1900-R1902 IonicContact OD1-NE 2.16Å; D1900-R1902 PolarHBondContact OD1-NE 2.99Å; D1900-R1902 IonicContact OD2-CZ 2.89Å; D1900-R1902 IonicContact OD2-NE 4Å; D1900-R1902 PolarHBondContact OD2-NE 2.8Å; D1900-R1902 IonicContact OD2-NH2 3.58Å; D1900-R1902 PolarHBondContact OD2-NH2 2.71Å; D1900-F1903 HydrophobicContact CB-CD2 3.77Å; D1900-F1903 HydrophobicContact CB-CE2 4.2Å; D1900-F1903 PolarHBondContact O-N 3.2Å; D1900-F1903 VanDerWaalsContact O-N 3.17Å |
| 1901 | Q | 81.1 | Confident | 81.3 | Confident | 157 Ų | 157 | 67 Ų | 67 | 73% | 0.734 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -70.8 | -166.3 | -11 | 0 | 0 | 110.8 | F1903 | Q1901-F1903 PolarHBondContact O-N 2.79Š| |
| 1902 | R | 83.6 | Confident | 81.1 | Confident | 90 Ų | 90 | 69 Ų | 69 | 34% | 0.34 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | -18.3 | 0 | -64.4 | 177.9 | -65.2 | 171.2 | 1.8 | 111.2 | D1900 D1925 | D1900-R1902 PolarHBondContact O-N 2.72Å; D1900-R1902 VanDerWaalsContact O-N 3.12Å; D1900-R1902 WeakPolarHBondContact OD1-CB 3.26Å; D1900-R1902 WeakPolarHBondContact OD1-CG 3.49Å; D1900-R1902 PolarHBondContact OD1-N 2.61Å; D1900-R1902 IonicContact OD1-NE 2.16Å; D1900-R1902 PolarHBondContact OD1-NE 2.99Å; D1900-R1902 IonicContact OD2-CZ 2.89Å; D1900-R1902 IonicContact OD2-NE 4Å; D1900-R1902 PolarHBondContact OD2-NE 2.8Å; D1900-R1902 IonicContact OD2-NH2 3.58Å; D1900-R1902 PolarHBondContact OD2-NH2 2.71Å; R1902-D1925 IonicContact CZ-OD2 2.27Å; R1902-D1925 VanDerWaalsContact CZ-OD2 3.25Å; R1902-D1925 IonicContact NH1-OD1 3.93Å; R1902-D1925 IonicContact NH1-OD2 3.8Å; R1902-D1925 PolarHBondContact NH1-OD2 3.47Å; R1902-D1925 IonicContact NH2-OD1 2.8Å; R1902-D1925 IonicContact NH2-OD2 3.39Å; R1902-D1925 PolarHBondContact NH2-OD2 3.19Å | |
| 1903 | F | 87.9 | Confident | 81.3 | Confident | 9 Ų | 9 | 64.4 Ų | 64.4 | 4% | 0.039 | 35% | 0.348 | C | S | . | . | trans | -102 | 0 | -177.5 | -68.2 | -101.1 | 0 | 0 | 0 | 109.1 | F1891 I1897 D1900 Q1901 I1915 V1917 L1921 I1928 I1930 | F1891-F1903 AromaticContact CE1-CE2 4Å; F1891-F1903 HydrophobicContact CE1-CE2 4Å; F1891-F1903 AromaticContact CE1-CZ 3.99Å; F1891-F1903 HydrophobicContact CE1-CZ 3.99Å; F1891-F1903 HydrophobicContact CZ-CD2 4.02Å; F1891-F1903 AromaticContact CZ-CE2 3.81Å; F1891-F1903 HydrophobicContact CZ-CE2 3.81Å; F1891-F1903 HydrophobicContact CZ-CZ 4.25Å; I1897-F1903 HydrophobicContact CG2-CB 3.2Å; I1897-F1903 HydrophobicContact CG2-CD1 3.83Å; I1897-F1903 HydrophobicContact CG2-CD2 4.47Å; I1897-F1903 HydrophobicContact CG2-CG 3.61Å; D1900-F1903 HydrophobicContact CB-CD2 3.77Å; D1900-F1903 HydrophobicContact CB-CE2 4.2Å; D1900-F1903 PolarHBondContact O-N 3.2Å; D1900-F1903 VanDerWaalsContact O-N 3.17Å; Q1901-F1903 PolarHBondContact O-N 2.79Å; F1903-I1915 HydrophobicContact CB-CG2 4.35Å; F1903-I1915 HydrophobicContact CD1-CG2 3.7Å; F1903-V1917 HydrophobicContact CD1-CG2 3.66Å; F1903-V1917 HydrophobicContact CE1-CG2 3.82Å; F1903-V1917 HydrophobicContact CG-CG2 4.26Å; F1903-L1921 HydrophobicContact CE2-CD2 3.98Å; F1903-L1921 HydrophobicContact CZ-CD1 4.31Å; F1903-L1921 HydrophobicContact CZ-CD2 3.96Å; F1903-I1928 HydrophobicContact CZ-CD1 4.22Å; F1903-I1928 HydrophobicContact CZ-CG2 4.25Å; F1903-I1930 HydrophobicContact CD1-CD1 3.91Å; F1903-I1930 HydrophobicContact CE1-CD1 3.4Å; F1903-I1930 VanDerWaalsContact CE1-CD1 3.4Å; F1903-I1930 HydrophobicContact CZ-CD1 4.29Å | ||
| 1904 | V | 84.6 | Confident | 81.9 | Confident | 75 Ų | 75 | 60.6 Ų | 60.6 | 46% | 0.455 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 123.9 | 0 | -178.7 | 0 | 0 | 0 | 0 | 109.3 | I1915 D1916 | V1904-I1915 CarbonylContact O-C 3.51Å; V1904-I1915 WeakPolarHBondContact O-CA 3.01Å; V1904-D1916 HydrophobicContact CB-CB 4.38Å; V1904-D1916 PolarHBondContact N-O 2.77Å; V1904-D1916 PolarHBondContact O-N 1.28Å | |
| 1905 | V | 85.3 | Confident | 82.8 | Confident | 43 Ų | 43 | 58.8 Ų | 58.8 | 26% | 0.261 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 123.4 | -175.4 | 177.4 | 0 | 0 | 0 | 0 | 108.4 | L1889 I1897 R1907 I1914 I1915 | L1889-V1905 HydrophobicContact CD1-CB 4.45Å; L1889-V1905 HydrophobicContact CD1-CG1 3.5Å; L1889-V1905 VanDerWaalsContact CD1-CG1 3.5Å; L1889-V1905 HydrophobicContact CD1-CG2 4.08Å; I1897-V1905 HydrophobicContact CG2-CG2 4.17Å; V1905-R1907 HydrophobicContact CG1-CG 4.46Å; V1905-I1914 CarbonylContact C-O 3.41Å; V1905-I1914 WeakPolarHBondContact CA-O 3.46Å; V1905-I1915 HydrophobicContact CG2-CG1 4.41Å |
| 1906 | S | 84.8 | Confident | 83.3 | Confident | 48 Ų | 48 | 54 Ų | 54 | 34% | 0.336 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 139.7 | 172 | 56.4 | 0 | 0 | 0 | 0 | 110.8 | P1908 A1913 I1914 | S1906-P1908 WeakPolarHBondContact O-CD 3.47Å; S1906-A1913 CarbonylContact O-C 3.57Å; S1906-I1914 PolarHBondContact N-O 3.31Å; S1906-I1914 PolarHBondContact O-N 3.43Å; S1906-I1914 VanDerWaalsContact OG-CB 3.29Å; S1906-I1914 WeakPolarHBondContact OG-CB 3.12Å |
| 1907 | R | 83.8 | Confident | 83.6 | Confident | 104 Ų | 104 | 50.8 Ų | 50.8 | 39% | 0.392 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 82.9 | -177.1 | -68.2 | -177.2 | -176.5 | -91.2 | 0.8 | 109.3 | P1887 V1905 S1909 R1912 A1913 | P1887-R1907 PolarHBondContact O-NH1 2.88Å; P1887-R1907 PolarHBondContact O-NH2 3.23Å; P1887-R1907 VanDerWaalsContact O-NH2 3.09Å; V1905-R1907 HydrophobicContact CG1-CG 4.46Å; R1907-S1909 PolarHBondContact O-N 2.97Å; R1907-S1909 VanDerWaalsContact O-N 3.15Å; R1907-R1912 WeakPolarHBondContact CA-O 3.2Å; R1907-A1913 HydrophobicContact CG-CB 4.21Å |
| 1908 | P | 77.6 | Confident | 83.5 | Confident | 74 Ų | 74 | 54.9 Ų | 54.9 | 48% | 0.481 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | -26.7 | -179.3 | 11.3 | -13.5 | 0 | 0 | 0 | 111.8 | S1906 R1912 I1914 | S1906-P1908 WeakPolarHBondContact O-CD 3.47Å; P1908-R1912 WeakPolarHBondContact CD-O 3.43Å; P1908-R1912 HydrophobicContact CG-CB 4.4Å; P1908-R1912 HydrophobicContact CG-CG 4.17Å; P1908-I1914 HydrophobicContact CG-CD1 3.64Å; P1908-I1914 HydrophobicContact CG-CG1 4.06Å |
| 1909 | S | 78.2 | Confident | 83.5 | Confident | 36 Ų | 36 | 52.7 Ų | 52.7 | 25% | 0.252 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 159.1 | 173.2 | 64.7 | 0 | 0 | 0 | 0 | 109.6 | R1907 E1911 R1912 | R1907-S1909 PolarHBondContact O-N 2.97Å; R1907-S1909 VanDerWaalsContact O-N 3.15Å; S1909-E1911 WeakPolarHBondContact CB-OE1 3.33Å; S1909-E1911 PolarHBondContact O-N 3.09Å; S1909-E1911 PolarHBondContact OG-OE1 3.02Å; S1909-E1911 VanDerWaalsContact OG-OE1 3.12Å; S1909-R1912 PolarHBondContact O-N 3.02Å; S1909-R1912 VanDerWaalsContact O-N 3.14Å; S1909-R1912 WeakPolarHBondContact OG-CB 3.21Å; S1909-R1912 PolarHBondContact OG-N 3.31Å |
| 1910 | T | 76.2 | Confident | 83.8 | Confident | 78 Ų | 78 | 50.1 Ų | 50.1 | 48% | 0.479 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -27.5 | -174.3 | 48.8 | 0 | 0 | 0 | 0 | 110.7 | G1884 T1885 S1886 P1887 | G1884-T1910 WeakPolarHBondContact CA-OG1 3.16Å; G1884-T1910 PolarHBondContact N-OG1 3Å; T1885-T1910 CarbonylContact C-O 3.55Å; T1885-T1910 CarbonylContact O-C 3.5Å; S1886-T1910 WeakPolarHBondContact CA-O 3.2Å; P1887-T1910 WeakPolarHBondContact CD-O 3.08Å |
| 1911 | E | 79.5 | Confident | 84 | Confident | 48 Ų | 48 | 48.8 Ų | 48.8 | 22% | 0.224 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -2.6 | -175.4 | 68.1 | -84.8 | -167.2 | 0 | 0 | 110.5 | V1879 T1880 R1882 T1885 S1909 | V1879-E1911 CarbonylContact C-O 3.23Å; V1879-E1911 VanDerWaalsContact CA-O 3.3Å; V1879-E1911 WeakPolarHBondContact CA-O 3.24Å; T1880-E1911 PolarHBondContact N-O 3.12Å; T1880-E1911 VanDerWaalsContact OG1-CA 3.23Å; T1880-E1911 WeakPolarHBondContact OG1-CA 3.33Å; T1880-E1911 WeakPolarHBondContact OG1-CB 3.32Å; T1880-E1911 PolarHBondContact OG1-O 3.26Å; R1882-E1911 VanDerWaalsContact O-CB 3.22Å; R1882-E1911 WeakPolarHBondContact O-CB 3.3Å; T1885-E1911 WeakPolarHBondContact O-CA 3.38Å; T1885-E1911 PolarHBondContact O-N 3.05Å; S1909-E1911 WeakPolarHBondContact CB-OE1 3.33Å; S1909-E1911 PolarHBondContact O-N 3.09Å; S1909-E1911 PolarHBondContact OG-OE1 3.02Å; S1909-E1911 VanDerWaalsContact OG-OE1 3.12Å |
| 1912 | R | 86.5 | Confident | 83.6 | Confident | 57 Ų | 57 | 45.7 Ų | 45.7 | 22% | 0.215 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 130.3 | -173.5 | -170.4 | 175.3 | 172.9 | -131.9 | 0.4 | 109.3 | E1877 V1879 R1907 P1908 S1909 R2092 | E1877-R1912 IonicContact OE1-CZ 3.91Å; E1877-R1912 IonicContact OE1-NH2 3.04Å; E1877-R1912 PolarHBondContact OE1-NH2 2.84Å; E1877-R1912 IonicContact OE2-NE 1.68Å; E1877-R1912 IonicContact OE2-NH2 2.89Å; V1879-R1912 HydrophobicContact CG2-CB 4.46Å; V1879-R1912 HydrophobicContact CG2-CG 3.75Å; R1907-R1912 WeakPolarHBondContact CA-O 3.2Å; P1908-R1912 WeakPolarHBondContact CD-O 3.43Å; P1908-R1912 HydrophobicContact CG-CB 4.4Å; P1908-R1912 HydrophobicContact CG-CG 4.17Å; S1909-R1912 PolarHBondContact O-N 3.02Å; S1909-R1912 VanDerWaalsContact O-N 3.14Å; S1909-R1912 WeakPolarHBondContact OG-CB 3.21Å; S1909-R1912 PolarHBondContact OG-N 3.31Å; R1912-R2092 VanDerWaalsContact NE-NH2 3.16Å |
| 1913 | A | 88.4 | Confident | 83 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 127.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | E1877 C1878 P1887 L1889 S1906 R1907 | E1877-A1913 WeakPolarHBondContact CA-O 3.37Å; C1878-A1913 HydrophobicContact CB-CB 4.35Å; C1878-A1913 PolarHBondContact N-O 3.23Å; C1878-A1913 PolarHBondContact O-N 3.09Å; P1887-A1913 HydrophobicContact CG-CB 4.46Å; L1889-A1913 HydrophobicContact CD1-CB 3.76Å; L1889-A1913 HydrophobicContact CG-CB 4.42Å; S1906-A1913 CarbonylContact O-C 3.57Å; R1907-A1913 HydrophobicContact CG-CB 4.21Å |
| 1914 | I | 90.4 | Very high | 82.2 | Confident | 13 Ų | 13 | 52.5 Ų | 52.5 | 7% | 0.067 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 0 | 179.9 | -62.2 | 175.2 | 0 | 0 | 0 | 109.2 | R1875 E1877 V1905 S1906 P1908 | R1875-I1914 HydrophobicContact CG-CG2 3.86Å; E1877-I1914 HydrophobicContact CG-CG1 4.04Å; E1877-I1914 HydrophobicContact CG-CG2 4.49Å; V1905-I1914 CarbonylContact C-O 3.41Å; V1905-I1914 WeakPolarHBondContact CA-O 3.46Å; S1906-I1914 PolarHBondContact N-O 3.31Å; S1906-I1914 PolarHBondContact O-N 3.43Å; S1906-I1914 VanDerWaalsContact OG-CB 3.29Å; S1906-I1914 WeakPolarHBondContact OG-CB 3.12Å; P1908-I1914 HydrophobicContact CG-CD1 3.64Å; P1908-I1914 HydrophobicContact CG-CG1 4.06Å |
| 1915 | I | 91.6 | Very high | 81.6 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 114.6 | 0 | -56.2 | 164.1 | 0 | 0 | 0 | 108.1 | F1861 R1875 L1876 L1889 I1897 F1903 V1904 V1905 I1930 | F1861-I1915 HydrophobicContact CE2-CD1 4.06Å; F1861-I1915 HydrophobicContact CZ-CD1 3.75Å; R1875-I1915 CarbonylContact C-O 3.44Å; R1875-I1915 WeakPolarHBondContact CA-O 2.85Å; L1876-I1915 HydrophobicContact CB-CB 4.05Å; L1876-I1915 HydrophobicContact CB-CD1 4.25Å; L1876-I1915 PolarHBondContact N-O 3.07Å; L1876-I1915 PolarHBondContact O-N 2.8Å; L1889-I1915 HydrophobicContact CD1-CD1 4.03Å; L1889-I1915 HydrophobicContact CD1-CG1 3.88Å; L1889-I1915 HydrophobicContact CD2-CD1 3.87Å; L1889-I1915 HydrophobicContact CG-CD1 4.46Å; I1897-I1915 HydrophobicContact CD1-CD1 3.73Å; F1903-I1915 HydrophobicContact CB-CG2 4.35Å; F1903-I1915 HydrophobicContact CD1-CG2 3.7Å; V1904-I1915 CarbonylContact O-C 3.51Å; V1904-I1915 WeakPolarHBondContact O-CA 3.01Å; V1905-I1915 HydrophobicContact CG2-CG1 4.41Å; I1915-I1930 HydrophobicContact CD1-CG2 4.17Å | |
| 1916 | D | 89.7 | Confident | 80.9 | Confident | 35 Ų | 35 | 58.6 Ų | 58.6 | 19% | 0.187 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 135.5 | 177.6 | -75.2 | -44.9 | 0 | 0 | 0 | 110.5 | R1875 V1904 P1918 | R1875-D1916 VanDerWaalsContact CB-OD1 3.28Å; R1875-D1916 WeakPolarHBondContact CB-OD1 3.48Å; R1875-D1916 WeakPolarHBondContact CD-OD1 3.37Å; R1875-D1916 WeakPolarHBondContact CG-OD1 3.43Å; R1875-D1916 IonicContact CZ-OD1 2.01Å; R1875-D1916 IonicContact NE-OD1 3.41Å; R1875-D1916 PolarHBondContact NE-OD1 2.75Å; R1875-D1916 IonicContact NE-OD2 2Å; R1875-D1916 IonicContact NH2-OD1 2.98Å; R1875-D1916 IonicContact NH2-OD2 2.87Å; V1904-D1916 HydrophobicContact CB-CB 4.38Å; V1904-D1916 PolarHBondContact N-O 2.77Å; V1904-D1916 PolarHBondContact O-N 1.28Å; D1916-P1918 VanDerWaalsContact C-CD 3.42Å; D1916-P1918 WeakPolarHBondContact O-CD 3.1Å |
| 1917 | V | 89.2 | Confident | 80.9 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 77.9 | 175 | -172.1 | 0 | 0 | 0 | 0 | 107.7 | A1873 F1874 F1903 G1919 G1920 L1921 | A1873-V1917 WeakPolarHBondContact CA-O 3.47Å; F1874-V1917 HydrophobicContact CD1-CB 4.17Å; F1874-V1917 HydrophobicContact CD2-CG2 4.31Å; F1874-V1917 HydrophobicContact CE1-CB 3.77Å; F1874-V1917 HydrophobicContact CE1-CG1 3.97Å; F1874-V1917 HydrophobicContact CE1-CG2 4.09Å; F1874-V1917 HydrophobicContact CE2-CB 4.12Å; F1874-V1917 HydrophobicContact CE2-CG2 3.61Å; F1874-V1917 HydrophobicContact CZ-CB 3.73Å; F1874-V1917 HydrophobicContact CZ-CG1 4.13Å; F1874-V1917 HydrophobicContact CZ-CG2 3.48Å; F1874-V1917 VanDerWaalsContact CZ-CG2 3.48Å; F1874-V1917 PolarHBondContact N-O 3.02Å; F1874-V1917 PolarHBondContact O-N 3.49Å; F1903-V1917 HydrophobicContact CD1-CG2 3.66Å; F1903-V1917 HydrophobicContact CE1-CG2 3.82Å; F1903-V1917 HydrophobicContact CG-CG2 4.26Å; V1917-G1919 PolarHBondContact O-N 3.46Å; V1917-G1920 PolarHBondContact O-N 3.05Å; V1917-L1921 HydrophobicContact CG1-CD2 4.23Å; V1917-L1921 HydrophobicContact CG1-CG 4.36Å |
| 1918 | P | 78.9 | Confident | 81.1 | Confident | 87 Ų | 87 | 57 Ų | 57 | 57% | 0.565 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 0 | -167.4 | 7.6 | -10.8 | 0 | 0 | 0 | 111.6 | A1873 D1916 | A1873-P1918 VanDerWaalsContact CB-C 3.48Å; A1873-P1918 WeakPolarHBondContact CB-O 3.5Å; D1916-P1918 VanDerWaalsContact C-CD 3.42Å; D1916-P1918 WeakPolarHBondContact O-CD 3.1Å |
| 1919 | G | 77.4 | Confident | 81.7 | Confident | 58 Ų | 58 | 55.4 Ų | 55.4 | 60% | 0.598 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | -2 | 0 | 0 | 0 | 0 | 0 | 0 | 111.7 | G1871 V1917 | G1871-G1919 CarbonylContact C-O 3.55Å; G1871-G1919 WeakPolarHBondContact CA-O 3.39Å; G1871-G1919 VanDerWaalsContact O-O 3.12Å; V1917-G1919 PolarHBondContact O-N 3.46Å | |
| 1920 | G | 84.3 | Confident | 82.4 | Confident | 8 Ų | 8 | 53.7 Ų | 53.7 | 8% | 0.082 | 27% | 0.271 | C | S | . | . | trans | 68.1 | 176.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R1872 V1917 | R1872-G1920 WeakPolarHBondContact O-CA 3.41Å; V1917-G1920 PolarHBondContact O-N 3.05Å | ||
| 1921 | L | 84.9 | Confident | 83.1 | Confident | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | trans | -114.5 | 154.4 | -177.2 | -61.3 | 170.6 | 0 | 0 | 0 | 110 | P1870 G1871 F1874 F1903 V1917 D1925 I1928 I1944 I1946 | P1870-L1921 CarbonylContact C-O 3.39Å; P1870-L1921 WeakPolarHBondContact CA-O 3.23Å; G1871-L1921 PolarHBondContact N-O 2.89Å; F1874-L1921 HydrophobicContact CE1-CD1 3.99Å; F1874-L1921 HydrophobicContact CE1-CG 3.99Å; F1874-L1921 HydrophobicContact CZ-CD1 3.74Å; F1874-L1921 HydrophobicContact CZ-CG 4.12Å; F1903-L1921 HydrophobicContact CE2-CD2 3.98Å; F1903-L1921 HydrophobicContact CZ-CD1 4.31Å; F1903-L1921 HydrophobicContact CZ-CD2 3.96Å; V1917-L1921 HydrophobicContact CG1-CD2 4.23Å; V1917-L1921 HydrophobicContact CG1-CG 4.36Å; L1921-D1925 HydrophobicContact CB-CB 4.21Å; L1921-I1928 HydrophobicContact CD1-CB 4.48Å; L1921-I1928 HydrophobicContact CD1-CD1 3.06Å; L1921-I1928 HydrophobicContact CD1-CG1 4.14Å; L1921-I1928 HydrophobicContact CD2-CD1 3.84Å; L1921-I1928 HydrophobicContact CG-CD1 3.97Å; L1921-I1944 HydrophobicContact CD1-CG2 4.15Å; L1921-I1946 HydrophobicContact CB-CD1 2.61Å; L1921-I1946 HydrophobicContact CB-CG1 3.94Å; L1921-I1946 HydrophobicContact CD1-CD1 3.46Å; L1921-I1946 VanDerWaalsContact CD1-CD1 3.46Å; L1921-I1946 HydrophobicContact CD1-CG1 4.2Å; L1921-I1946 HydrophobicContact CG-CD1 3.63Å | ||
| 1922 | D | 73.9 | Confident | 83.7 | Confident | 92 Ų | 92 | 48.7 Ų | 48.7 | 49% | 0.492 | 24% | 0.242 | S | C | . | . | trans | -80.8 | 160.9 | -175.9 | -155.5 | -15.1 | 0 | 0 | 0 | 110.8 | R1924 D1925 I1946 | D1922-R1924 PolarHBondContact O-N 3.22Å; D1922-R1924 VanDerWaalsContact O-N 3.14Å; D1922-D1925 PolarHBondContact N-OD2 3.25Å; D1922-D1925 WeakPolarHBondContact O-CB 3.4Å; D1922-D1925 PolarHBondContact O-N 3.39Å; D1922-I1946 VanDerWaalsContact O-CD1 3.23Å; D1922-I1946 WeakPolarHBondContact O-CD1 3.43Å; D1922-I1946 VanDerWaalsContact O-CG2 3.26Å; D1922-I1946 WeakPolarHBondContact O-CG2 3.13Å | ||
| 1923 | A | 69.4 | Low | 83.8 | Confident | 19 Ų | 19 | 46.9 Ų | 46.9 | 16% | 0.157 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 0 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111 | P1870 D1925 L1948 | P1870-A1923 HydrophobicContact CB-CB 4.34Å; P1870-A1923 HydrophobicContact CG-CB 3.97Å; A1923-D1925 PolarHBondContact O-N 3.28Å; A1923-L1948 HydrophobicContact CB-CD1 3.49Å; A1923-L1948 VanDerWaalsContact CB-CD1 3.49Å; A1923-L1948 HydrophobicContact CB-CD2 3.6Å; A1923-L1948 HydrophobicContact CB-CG 3.43Å; A1923-L1948 VanDerWaalsContact CB-CG 3.43Å |
| 1924 | R | 71.9 | Confident | 83.4 | Confident | 223 Ų | 223 | 47 Ų | 47 | 84% | 0.842 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -65.3 | -179.3 | -172.3 | -159 | -0.7 | 110.7 | D1922 R1926 | D1922-R1924 PolarHBondContact O-N 3.22Å; D1922-R1924 VanDerWaalsContact O-N 3.14Å; R1924-R1926 PolarHBondContact O-N 3.28Å | |
| 1925 | D | 72.3 | Confident | 82.5 | Confident | 39 Ų | 39 | 50 Ų | 50 | 21% | 0.209 | 26% | 0.258 | C | S | . | . | 0 | 52.2 | 0 | -65.3 | -40.3 | 0 | 0 | 0 | 110.9 | R1902 L1921 D1922 A1923 Q1927 I1928 I1946 | R1902-D1925 IonicContact CZ-OD2 2.27Å; R1902-D1925 VanDerWaalsContact CZ-OD2 3.25Å; R1902-D1925 IonicContact NH1-OD1 3.93Å; R1902-D1925 IonicContact NH1-OD2 3.8Å; R1902-D1925 PolarHBondContact NH1-OD2 3.47Å; R1902-D1925 IonicContact NH2-OD1 2.8Å; R1902-D1925 IonicContact NH2-OD2 3.39Å; R1902-D1925 PolarHBondContact NH2-OD2 3.19Å; L1921-D1925 HydrophobicContact CB-CB 4.21Å; D1922-D1925 PolarHBondContact N-OD2 3.25Å; D1922-D1925 WeakPolarHBondContact O-CB 3.4Å; D1922-D1925 PolarHBondContact O-N 3.39Å; A1923-D1925 PolarHBondContact O-N 3.28Å; D1925-Q1927 PolarHBondContact O-N 3.4Å; D1925-I1928 HydrophobicContact CB-CD1 3.67Å; D1925-I1928 HydrophobicContact CB-CG1 4.04Å; D1925-I1946 HydrophobicContact CB-CD1 3.3Å; D1925-I1946 HydrophobicContact CB-CG1 4.32Å; D1925-I1946 WeakPolarHBondContact O-CB 3.02Å; D1925-I1946 WeakPolarHBondContact O-CD1 3.22Å; D1925-I1946 WeakPolarHBondContact O-CG1 3.43Å | |||
| 1926 | R | 70.3 | Confident | 81.5 | Confident | 207 Ų | 207 | 52 Ų | 52 | 78% | 0.781 | 27% | 0.272 | S | S | * | . | trans | -35 | 0 | -172 | -74.8 | -174.6 | 179.2 | 176.1 | -0.4 | 111.3 | R1924 I1946 | R1924-R1926 PolarHBondContact O-N 3.28Å; R1926-I1946 PolarHBondContact O-N 2.9Å | ||
| 1927 | Q | 84.1 | Confident | 80.8 | Confident | 103 Ų | 103 | 52.5 Ų | 52.5 | 48% | 0.481 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 124.3 | 0 | -176.8 | -179.7 | -10.3 | 0 | 0 | 109.4 | D1925 I1929 T1943 I1944 F1945 | D1925-Q1927 PolarHBondContact O-N 3.4Å; Q1927-I1929 HydrophobicContact CG-CG1 4.27Å; Q1927-T1943 HydrophobicContact CG-CG2 3.78Å; Q1927-T1943 VanDerWaalsContact NE2-CG2 3.3Å; Q1927-I1944 CarbonylContact C-O 3.48Å; Q1927-I1944 VanDerWaalsContact CA-O 3.26Å; Q1927-I1944 WeakPolarHBondContact CA-O 3.42Å; Q1927-F1945 HydrophobicContact CB-CD1 4.43Å; Q1927-F1945 HydrophobicContact CG-CD1 4.08Å; Q1927-F1945 HydrophobicContact CG-CE1 3.92Å | |
| 1928 | I | 87.9 | Confident | 80.4 | Confident | 17 Ų | 17 | 55.3 Ų | 55.3 | 9% | 0.087 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 131.5 | 177.1 | -65 | -179.2 | 0 | 0 | 0 | 109 | F1891 F1903 L1921 D1925 I1930 T1943 I1944 | F1891-I1928 HydrophobicContact CD1-CG2 4.09Å; F1891-I1928 HydrophobicContact CE1-CG2 3.92Å; F1903-I1928 HydrophobicContact CZ-CD1 4.22Å; F1903-I1928 HydrophobicContact CZ-CG2 4.25Å; L1921-I1928 HydrophobicContact CD1-CB 4.48Å; L1921-I1928 HydrophobicContact CD1-CD1 3.06Å; L1921-I1928 HydrophobicContact CD1-CG1 4.14Å; L1921-I1928 HydrophobicContact CD2-CD1 3.84Å; L1921-I1928 HydrophobicContact CG-CD1 3.97Å; D1925-I1928 HydrophobicContact CB-CD1 3.67Å; D1925-I1928 HydrophobicContact CB-CG1 4.04Å; I1928-I1930 HydrophobicContact CG2-CG1 4.18Å; I1928-T1943 CarbonylContact O-C 3.55Å; I1928-I1944 HydrophobicContact CB-CB 4.35Å; I1928-I1944 HydrophobicContact CB-CD1 4.41Å; I1928-I1944 HydrophobicContact CG2-CD1 4.34Å; I1928-I1944 PolarHBondContact N-O 3.42Å; I1928-I1944 PolarHBondContact O-N 3.12Å |
| 1929 | I | 91.5 | Very high | 80.6 | Confident | 39 Ų | 39 | 58.6 Ų | 58.6 | 20% | 0.2 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 0 | -177.9 | -58 | 173.3 | 0 | 0 | 0 | 108.4 | I1892 Q1927 T1941 S1942 T1943 | I1892-I1929 HydrophobicContact CB-CB 4.01Å; I1892-I1929 HydrophobicContact CB-CG2 4.18Å; I1892-I1929 HydrophobicContact CD1-CB 3.96Å; I1892-I1929 HydrophobicContact CD1-CD1 3.94Å; I1892-I1929 HydrophobicContact CD1-CG2 3.41Å; I1892-I1929 VanDerWaalsContact CD1-CG2 3.41Å; I1892-I1929 HydrophobicContact CG1-CG2 4.42Å; I1892-I1929 HydrophobicContact CG2-CB 4.45Å; I1892-I1929 PolarHBondContact N-O 2.79Å; I1892-I1929 VanDerWaalsContact N-O 3.11Å; Q1927-I1929 HydrophobicContact CG-CG1 4.27Å; I1929-T1941 HydrophobicContact CG2-CG2 4.4Å; I1929-S1942 WeakPolarHBondContact CA-O 3.38Å; I1929-T1943 HydrophobicContact CG1-CG2 3.99Å |
| 1930 | I | 92.8 | Very high | 81.1 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -63.4 | 176.6 | 0 | 0 | 0 | 109 | F1861 L1876 F1891 I1897 F1903 I1915 I1928 T1941 S1942 I1944 | F1861-I1930 HydrophobicContact CE1-CB 3.99Å; F1861-I1930 HydrophobicContact CE1-CG2 3.72Å; F1861-I1930 WeakPolarHBondContact CE1-O 3.18Å; F1861-I1930 HydrophobicContact CZ-CB 4.07Å; F1861-I1930 HydrophobicContact CZ-CG2 3.71Å; L1876-I1930 HydrophobicContact CD1-CD1 3.9Å; F1891-I1930 HydrophobicContact CD1-CG1 4.43Å; I1897-I1930 HydrophobicContact CD1-CB 4.28Å; I1897-I1930 HydrophobicContact CD1-CD1 4.17Å; I1897-I1930 HydrophobicContact CD1-CG1 4.37Å; I1897-I1930 HydrophobicContact CD1-CG2 2.99Å; I1897-I1930 HydrophobicContact CG1-CG2 3.92Å; F1903-I1930 HydrophobicContact CD1-CD1 3.91Å; F1903-I1930 HydrophobicContact CE1-CD1 3.4Å; F1903-I1930 VanDerWaalsContact CE1-CD1 3.4Å; F1903-I1930 HydrophobicContact CZ-CD1 4.29Å; I1915-I1930 HydrophobicContact CD1-CG2 4.17Å; I1928-I1930 HydrophobicContact CG2-CG1 4.18Å; I1930-T1941 CarbonylContact O-C 2.59Å; I1930-T1941 WeakPolarHBondContact O-CA 3.21Å; I1930-S1942 PolarHBondContact N-O 3.22Å; I1930-S1942 PolarHBondContact O-N 2.84Å; I1930-I1944 HydrophobicContact CD1-CD1 3.86Å; I1930-I1944 HydrophobicContact CG1-CD1 4.37Å | |
| 1931 | E | 91.2 | Very high | 81.4 | Confident | 22 Ų | 22 | 62.1 Ų | 62.1 | 10% | 0.103 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 135.4 | 0 | -71.2 | -176.7 | 130.7 | 0 | 0 | 109.5 | L1889 Q1890 I1933 K1940 T1941 | L1889-E1931 WeakPolarHBondContact CA-O 3.48Å; Q1890-E1931 HydrophobicContact CG-CB 4.14Å; Q1890-E1931 PolarHBondContact N-O 2.69Å; Q1890-E1931 PolarHBondContact NE2-OE2 2.7Å; Q1890-E1931 PolarHBondContact O-N 2.69Å; E1931-I1933 HydrophobicContact CB-CG1 4.37Å; E1931-K1940 CarbonylContact C-O 3.35Å; E1931-T1941 HydrophobicContact CG-CG2 3.58Å | |
| 1932 | C | 91.6 | Very high | 81.6 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 116.1 | 170.3 | -175.7 | 0 | 0 | 0 | 0 | 110.1 | V1859 F1861 C1878 L1889 R1939 K1940 | V1859-C1932 HydrophobicContact CG2-CB 3.93Å; V1859-C1932 WeakPolarHBondContact CG2-SG 3.31Å; F1861-C1932 HydrophobicContact CB-CB 4.33Å; F1861-C1932 HydrophobicContact CD1-CB 3.53Å; F1861-C1932 HydrophobicContact CE1-CB 3.93Å; F1861-C1932 HydrophobicContact CG-CB 3.93Å; C1878-C1932 HydrophobicContact CB-CB 3.76Å; C1878-C1932 WeakPolarHBondContact CB-SG 2.97Å; C1878-C1932 WeakPolarHBondContact SG-CB 3.22Å; C1878-C1932 CovalentContact SG-SG 1.21Å; C1878-C1932 PolarHBondContact SG-SG 2.85Å; L1889-C1932 HydrophobicContact CD2-CB 4.28Å; C1932-R1939 WeakPolarHBondContact O-CA 3.41Å; C1932-K1940 PolarHBondContact N-O 3.49Å; C1932-K1940 PolarHBondContact O-N 3.34Å |
| 1933 | I | 87.8 | Confident | 82.4 | Confident | 18 Ų | 18 | 58.9 Ų | 58.9 | 9% | 0.092 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 126.8 | -171.2 | -56.8 | 167.3 | 0 | 0 | 0 | 108 | P1887 V1888 Q1890 E1931 E1938 R1939 | P1887-I1933 CarbonylContact C-O 3.35Å; P1887-I1933 WeakPolarHBondContact CA-O 3.23Å; V1888-I1933 HydrophobicContact CB-CB 4.29Å; V1888-I1933 PolarHBondContact N-O 2.8Å; V1888-I1933 PolarHBondContact O-N 2.64Å; Q1890-I1933 HydrophobicContact CG-CD1 3.97Å; Q1890-I1933 VanDerWaalsContact NE2-CD1 3.29Å; E1931-I1933 HydrophobicContact CB-CG1 4.37Å; I1933-E1938 CarbonylContact C-O 3.55Å; I1933-E1938 VanDerWaalsContact CA-O 3.28Å; I1933-E1938 WeakPolarHBondContact CA-O 3.45Å; I1933-R1939 HydrophobicContact CB-CG 4.42Å; I1933-R1939 HydrophobicContact CG1-CB 4.46Å; I1933-R1939 HydrophobicContact CG1-CG 3.83Å; I1933-R1939 HydrophobicContact CG2-CG 4.05Å |
| 1934 | S | 79.4 | Confident | 83.4 | Confident | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | trans | -75.7 | 157.8 | 176.8 | 76.3 | 0 | 0 | 0 | 0 | 111.1 | I1857 S1936 G1937 E1938 | I1857-S1934 VanDerWaalsContact O-CB 3.32Å; I1857-S1934 WeakPolarHBondContact O-CB 2.75Å; I1857-S1934 PolarHBondContact O-OG 2.69Å; I1857-S1934 VanDerWaalsContact O-OG 3.04Å; S1934-S1936 PolarHBondContact O-N 2.98Å; S1934-S1936 VanDerWaalsContact O-N 3.11Å; S1934-S1936 PolarHBondContact OG-N 2.76Å; S1934-S1936 PolarHBondContact OG-OG 3.35Å; S1934-G1937 PolarHBondContact O-N 3.3Å; S1934-G1937 PolarHBondContact OG-N 3.25Å; S1934-E1938 PolarHBondContact N-O 3.33Å; S1934-E1938 WeakPolarHBondContact OG-CB 3.03Å; S1934-E1938 PolarHBondContact OG-N 2.8Å | ||
| 1935 | P | 71.8 | Confident | 84 | Confident | 77 Ų | 77 | 49.1 Ų | 49.1 | 50% | 0.5 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -23.2 | 176.5 | -22.2 | 27.6 | 0 | 0 | 0 | 111.8 | I1857 T1885 | I1857-P1935 HydrophobicContact CD1-CB 4.11Å; I1857-P1935 HydrophobicContact CD1-CG 4.12Å; T1885-P1935 HydrophobicContact CG2-CG 4.48Å |
| 1936 | S | 72.2 | Confident | 84.3 | Confident | 42 Ų | 42 | 47.6 Ų | 47.6 | 29% | 0.294 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 0 | 178.2 | 62.2 | 0 | 0 | 0 | 0 | 111.2 | I1857 S1934 | I1857-S1936 PolarHBondContact N-OG 2.57Å; I1857-S1936 PolarHBondContact O-OG 3.03Å; S1934-S1936 PolarHBondContact O-N 2.98Å; S1934-S1936 VanDerWaalsContact O-N 3.11Å; S1934-S1936 PolarHBondContact OG-N 2.76Å; S1934-S1936 PolarHBondContact OG-OG 3.35Å |
| 1937 | G | 74.5 | Confident | 84.2 | Confident | 45 Ų | 45 | 42.2 Ų | 42.2 | 46% | 0.464 | 22% | 0.22 | S | C | . | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.7 | S1934 | S1934-G1937 PolarHBondContact O-N 3.3Å; S1934-G1937 PolarHBondContact OG-N 3.25Å | |
| 1938 | E | 79.3 | Confident | 83.2 | Confident | 59 Ų | 59 | 42.1 Ų | 42.1 | 28% | 0.276 | 22% | 0.223 | S | C | . | . | 0 | 0 | 0 | -167.2 | -176.2 | 173.8 | 0 | 0 | 111.3 | R1858 V1859 I1933 S1934 | R1858-E1938 WeakPolarHBondContact CA-OE2 3.15Å; R1858-E1938 WeakPolarHBondContact CB-OE2 3.33Å; R1858-E1938 PolarHBondContact N-OE2 2.39Å; V1859-E1938 HydrophobicContact CG1-CB 4.29Å; V1859-E1938 HydrophobicContact CG1-CG 4.05Å; V1859-E1938 PolarHBondContact N-OE2 2.3Å; V1859-E1938 VanDerWaalsContact N-OE2 3.16Å; I1933-E1938 CarbonylContact C-O 3.55Å; I1933-E1938 VanDerWaalsContact CA-O 3.28Å; I1933-E1938 WeakPolarHBondContact CA-O 3.45Å; S1934-E1938 PolarHBondContact N-O 3.33Å; S1934-E1938 WeakPolarHBondContact OG-CB 3.03Å; S1934-E1938 PolarHBondContact OG-N 2.8Å | |||
| 1939 | R | 83.9 | Confident | 81.8 | Confident | 156 Ų | 156 | 43.5 Ų | 43.5 | 59% | 0.589 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | 0 | 129.5 | 0 | -59.2 | 173.6 | 165.5 | -170.6 | 0.9 | 109.6 | C1932 I1933 | C1932-R1939 WeakPolarHBondContact O-CA 3.41Å; I1933-R1939 HydrophobicContact CB-CG 4.42Å; I1933-R1939 HydrophobicContact CG1-CB 4.46Å; I1933-R1939 HydrophobicContact CG1-CG 3.83Å; I1933-R1939 HydrophobicContact CG2-CG 4.05Å | |
| 1940 | K | 89 | Confident | 80.4 | Confident | 78 Ų | 78 | 42.8 Ų | 42.8 | 34% | 0.339 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 143.1 | 168.7 | -79 | -79.1 | -172.3 | 176.9 | 0 | 109.6 | V1859 F1861 E1931 C1932 E2153 | V1859-K1940 HydrophobicContact CG1-CB 3.82Å; V1859-K1940 HydrophobicContact CG1-CG 3.56Å; V1859-K1940 WeakPolarHBondContact O-CG 3.41Å; F1861-K1940 HydrophobicContact CB-CB 3.84Å; F1861-K1940 WeakPolarHBondContact CD1-O 3.2Å; E1931-K1940 CarbonylContact C-O 3.35Å; C1932-K1940 PolarHBondContact N-O 3.49Å; C1932-K1940 PolarHBondContact O-N 3.34Å; K1940-E2153 IonicContact NZ-OE1 3.64Å |
| 1941 | T | 89.4 | Confident | 78.3 | Confident | 63 Ų | 63 | 49.1 Ų | 49.1 | 39% | 0.387 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 147.1 | -174.1 | 55 | 0 | 0 | 0 | 0 | 109.3 | I1929 I1930 E1931 | I1929-T1941 HydrophobicContact CG2-CG2 4.4Å; I1930-T1941 CarbonylContact O-C 2.59Å; I1930-T1941 WeakPolarHBondContact O-CA 3.21Å; E1931-T1941 HydrophobicContact CG-CG2 3.58Å |
| 1942 | S | 90.3 | Very high | 76.2 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 122.6 | 167.8 | -174.2 | 0 | 0 | 0 | 0 | 109.6 | P1863 G1864 L1876 I1929 I1930 | P1863-S1942 PolarHBondContact O-OG 2.58Å; G1864-S1942 CarbonylContact O-C 3.55Å; G1864-S1942 WeakPolarHBondContact O-CA 3.46Å; L1876-S1942 WeakPolarHBondContact CD2-OG 3.38Å; I1929-S1942 WeakPolarHBondContact CA-O 3.38Å; I1930-S1942 PolarHBondContact N-O 3.22Å; I1930-S1942 PolarHBondContact O-N 2.84Å |
| 1943 | T | 90.8 | Very high | 74.2 | Confident | 26 Ų | 26 | 51.8 Ų | 51.8 | 16% | 0.16 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 125 | -179.9 | -52.6 | 0 | 0 | 0 | 0 | 109.8 | G1864 E1865 L1866 Q1927 I1928 I1929 F1945 | G1864-T1943 PolarHBondContact O-N 2.84Å; E1865-T1943 CarbonylContact C-O 3.58Å; E1865-T1943 WeakPolarHBondContact CA-O 3.13Å; L1866-T1943 PolarHBondContact N-O 2.86Å; Q1927-T1943 HydrophobicContact CG-CG2 3.78Å; Q1927-T1943 VanDerWaalsContact NE2-CG2 3.3Å; I1928-T1943 CarbonylContact O-C 3.55Å; I1929-T1943 HydrophobicContact CG1-CG2 3.99Å; T1943-F1945 HydrophobicContact CG2-CD2 4.16Å; T1943-F1945 HydrophobicContact CG2-CE1 4.04Å; T1943-F1945 HydrophobicContact CG2-CE2 3.5Å; T1943-F1945 HydrophobicContact CG2-CZ 3.44Å; T1943-F1945 VanDerWaalsContact CG2-CZ 3.44Å |
| 1944 | I | 90.3 | Very high | 73.1 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 119.8 | 179.4 | -57.9 | 144.2 | 0 | 0 | 0 | 108.8 | L1866 I1868 F1874 L1876 L1921 Q1927 I1928 I1930 | L1866-I1944 HydrophobicContact CB-CG1 4.47Å; L1866-I1944 CarbonylContact O-C 3.49Å; L1866-I1944 WeakPolarHBondContact O-CA 3.27Å; I1868-I1944 HydrophobicContact CG2-CG2 4.23Å; F1874-I1944 HydrophobicContact CE1-CG2 4.46Å; F1874-I1944 HydrophobicContact CE2-CD1 3.88Å; F1874-I1944 HydrophobicContact CE2-CG1 4.24Å; F1874-I1944 HydrophobicContact CE2-CG2 4.44Å; F1874-I1944 HydrophobicContact CZ-CD1 4.11Å; F1874-I1944 HydrophobicContact CZ-CG2 4.08Å; L1876-I1944 HydrophobicContact CD1-CD1 3.73Å; L1876-I1944 HydrophobicContact CD1-CG1 4.33Å; L1921-I1944 HydrophobicContact CD1-CG2 4.15Å; Q1927-I1944 CarbonylContact C-O 3.48Å; Q1927-I1944 VanDerWaalsContact CA-O 3.26Å; Q1927-I1944 WeakPolarHBondContact CA-O 3.42Å; I1928-I1944 HydrophobicContact CB-CB 4.35Å; I1928-I1944 HydrophobicContact CB-CD1 4.41Å; I1928-I1944 HydrophobicContact CG2-CD1 4.34Å; I1928-I1944 PolarHBondContact N-O 3.42Å; I1928-I1944 PolarHBondContact O-N 3.12Å; I1930-I1944 HydrophobicContact CD1-CD1 3.86Å; I1930-I1944 HydrophobicContact CG1-CD1 4.37Å |
| 1945 | F | 83.7 | Confident | 72.4 | Confident | 38 Ų | 38 | 56.1 Ų | 56.1 | 17% | 0.167 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 0 | 177.5 | -65.1 | -84.6 | 0 | 0 | 0 | 109.2 | E1865 L1866 R1867 I1868 Q1927 T1943 | E1865-F1945 HydrophobicContact CG-CD2 4.03Å; E1865-F1945 HydrophobicContact CG-CE2 3.69Å; L1866-F1945 PolarHBondContact O-N 2.9Å; R1867-F1945 WeakPolarHBondContact CA-O 3.35Å; R1867-F1945 HydrophobicContact CB-CB 4.44Å; R1867-F1945 HydrophobicContact CG-CB 3.71Å; R1867-F1945 HydrophobicContact CG-CD2 3.81Å; R1867-F1945 HydrophobicContact CG-CG 4.15Å; I1868-F1945 PolarHBondContact N-O 2.88Å; Q1927-F1945 HydrophobicContact CB-CD1 4.43Å; Q1927-F1945 HydrophobicContact CG-CD1 4.08Å; Q1927-F1945 HydrophobicContact CG-CE1 3.92Å; T1943-F1945 HydrophobicContact CG2-CD2 4.16Å; T1943-F1945 HydrophobicContact CG2-CE1 4.04Å; T1943-F1945 HydrophobicContact CG2-CE2 3.5Å; T1943-F1945 HydrophobicContact CG2-CZ 3.44Å; T1943-F1945 VanDerWaalsContact CG2-CZ 3.44Å |
| 1946 | I | 79.4 | Confident | 72.4 | Confident | 6 Ų | 6 | 57.6 Ų | 57.6 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 98.9 | 0 | -54.7 | -168.4 | 0 | 0 | 0 | 109 | P1870 L1921 D1922 D1925 R1926 | P1870-I1946 HydrophobicContact CB-CG2 4.15Å; P1870-I1946 HydrophobicContact CG-CG2 3.86Å; L1921-I1946 HydrophobicContact CB-CD1 2.61Å; L1921-I1946 HydrophobicContact CB-CG1 3.94Å; L1921-I1946 HydrophobicContact CD1-CD1 3.46Å; L1921-I1946 VanDerWaalsContact CD1-CD1 3.46Å; L1921-I1946 HydrophobicContact CD1-CG1 4.2Å; L1921-I1946 HydrophobicContact CG-CD1 3.63Å; D1922-I1946 VanDerWaalsContact O-CD1 3.23Å; D1922-I1946 WeakPolarHBondContact O-CD1 3.43Å; D1922-I1946 VanDerWaalsContact O-CG2 3.26Å; D1922-I1946 WeakPolarHBondContact O-CG2 3.13Å; D1925-I1946 HydrophobicContact CB-CD1 3.3Å; D1925-I1946 HydrophobicContact CB-CG1 4.32Å; D1925-I1946 WeakPolarHBondContact O-CB 3.02Å; D1925-I1946 WeakPolarHBondContact O-CD1 3.22Å; D1925-I1946 WeakPolarHBondContact O-CG1 3.43Å; R1926-I1946 PolarHBondContact O-N 2.9Å | |
| 1947 | E | 67.1 | Low | 72.4 | Confident | 94 Ų | 94 | 55.8 Ų | 55.8 | 44% | 0.439 | 29% | 0.293 | S | S | . | . | trans | -107.7 | 0 | -175 | -77.3 | -175.7 | 176.6 | 0 | 0 | 109.7 | R1867 G1949 R2120 | R1867-E1947 IonicContact CZ-OE1 3.1Å; R1867-E1947 IonicContact NH1-OE1 3.04Å; R1867-E1947 PolarHBondContact NH1-OE1 3.43Å; R1867-E1947 IonicContact NH1-OE2 3.92Å; E1947-G1949 PolarHBondContact O-N 3.14Å; E1947-R2120 IonicContact OE1-NH2 3.7Å; E1947-R2120 PolarHBondContact OE1-NH2 3.07Å; E1947-R2120 IonicContact OE2-NH2 3.7Å | ||
| 1948 | L | 62.4 | Low | 71.9 | Confident | 101 Ų | 101 | 57.2 Ų | 57.2 | 53% | 0.529 | 29% | 0.294 | S | S | . | . | 0 | 102.1 | 0 | -81.1 | 143.1 | 0 | 0 | 0 | 110.6 | A1923 | A1923-L1948 HydrophobicContact CB-CD1 3.49Å; A1923-L1948 VanDerWaalsContact CB-CD1 3.49Å; A1923-L1948 HydrophobicContact CB-CD2 3.6Å; A1923-L1948 HydrophobicContact CB-CG 3.43Å; A1923-L1948 VanDerWaalsContact CB-CG 3.43Å | |||
| 1949 | G | 59.3 | Low | 71.1 | Confident | 46 Ų | 46 | 57.6 Ų | 57.6 | 47% | 0.474 | 30% | 0.303 | S | S | . | . | trans | -71 | 136.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111 | E1947 | E1947-G1949 PolarHBondContact O-N 3.14Š| ||
| 1950 | C | 61.6 | Low | 70.1 | Confident | 25 Ų | 25 | 51.8 Ų | 51.8 | 17% | 0.169 | 29% | 0.292 | C | S | . | . | trans | -70.7 | 154.8 | 163.2 | -67.9 | 0 | 0 | 0 | 0 | 110.3 | Q1954 R1956 C1962 | C1950-Q1954 HydrophobicContact CB-CB 3.65Å; C1950-Q1954 WeakPolarHBondContact CB-O 2.99Å; C1950-R1956 WeakPolarHBondContact SG-CA 3.37Å; C1950-R1956 WeakPolarHBondContact SG-CB 3.32Å; C1950-R1956 PolarHBondContact SG-N 3.06Å; C1950-C1962 HydrophobicContact CB-CB 3.78Å; C1950-C1962 WeakPolarHBondContact CB-SG 3.35Å; C1950-C1962 WeakPolarHBondContact SG-CB 3.36Å; C1950-C1962 CovalentContact SG-SG 2.28Å; C1950-C1962 PolarHBondContact SG-SG 3.22Å | ||
| 1951 | Q | 50.3 | Low | 69.1 | Low | 132 Ų | 132 | 52.1 Ų | 52.1 | 62% | 0.617 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -43.2 | 133.4 | 176.7 | -62.8 | -66.2 | -40.2 | 0 | 0 | 111.6 | G1953 Q1954 | Q1951-G1953 PolarHBondContact O-N 3.15Å; Q1951-Q1954 HydrophobicContact CB-CG 4.42Å; Q1951-Q1954 WeakPolarHBondContact O-CB 3.47Å; Q1951-Q1954 PolarHBondContact O-N 2.69Å |
| 1952 | P | 45.5 | Very low | 68.1 | Low | 55 Ų | 55 | 51.1 Ų | 51.1 | 36% | 0.357 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -43.3 | 0 | 178.4 | -14.4 | 21.4 | 0 | 0 | 0 | 112.2 | R2169 | P1952-R2169 CovalentContact CB-NH1 1.14Å; P1952-R2169 VanDerWaalsContact N-NH1 3.16Å; P1952-R2169 PolarHBondContact O-NH1 3.35Å |
| 1953 | G | 50.1 | Low | 67.1 | Low | 24 Ų | 24 | 51.2 Ų | 51.2 | 25% | 0.247 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q1951 F1964 V1965 | Q1951-G1953 PolarHBondContact O-N 3.15Å; G1953-F1964 CarbonylContact O-C 3.58Å; G1953-F1964 WeakPolarHBondContact O-CA 3.46Å; G1953-V1965 VanDerWaalsContact O-CB 3.3Å; G1953-V1965 WeakPolarHBondContact O-CB 3.12Å; G1953-V1965 WeakPolarHBondContact O-CG2 3.41Å; G1953-V1965 PolarHBondContact O-N 3.2Å | |
| 1954 | Q | 65.2 | Low | 65.9 | Low | 55 Ų | 55 | 55.2 Ų | 55.2 | 26% | 0.257 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 148.9 | 0 | -67.5 | -177 | 3.4 | 0 | 0 | 109.5 | C1950 Q1951 C1962 I1963 F1964 | C1950-Q1954 HydrophobicContact CB-CB 3.65Å; C1950-Q1954 WeakPolarHBondContact CB-O 2.99Å; Q1951-Q1954 HydrophobicContact CB-CG 4.42Å; Q1951-Q1954 WeakPolarHBondContact O-CB 3.47Å; Q1951-Q1954 PolarHBondContact O-N 2.69Å; Q1954-C1962 HydrophobicContact CB-CB 4.3Å; Q1954-I1963 CarbonylContact C-O 3.27Å; Q1954-I1963 VanDerWaalsContact C-O 3.32Å; Q1954-I1963 WeakPolarHBondContact CA-O 3.49Å; Q1954-I1963 WeakPolarHBondContact CB-O 3.12Å; Q1954-F1964 HydrophobicContact CG-CD1 4.17Å; Q1954-F1964 HydrophobicContact CG-CD2 4.45Å; Q1954-F1964 HydrophobicContact CG-CE1 4.31Å; Q1954-F1964 HydrophobicContact CG-CG 4.25Å | |
| 1955 | R | 65.4 | Low | 64.5 | Low | 56 Ų | 56 | 55.9 Ų | 55.9 | 21% | 0.211 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 142.8 | 179.6 | -128.2 | 172.5 | 106 | 162.5 | -1.1 | 109.2 | C1962 I1963 F1968 N1985 | R1955-C1962 CarbonylContact O-C 3.1Å; R1955-C1962 VanDerWaalsContact O-CA 3.31Å; R1955-C1962 WeakPolarHBondContact O-CA 3.28Å; R1955-I1963 PolarHBondContact N-O 2.96Å; R1955-I1963 VanDerWaalsContact O-CG1 3.3Å; R1955-I1963 WeakPolarHBondContact O-CG1 3.38Å; R1955-I1963 PolarHBondContact O-N 1.97Å; R1955-F1968 HydrophobicContact CB-CD2 3.97Å; R1955-F1968 HydrophobicContact CB-CE2 4.07Å; R1955-F1968 VanDerWaalsContact CZ-CD1 3.5Å; R1955-N1985 PolarHBondContact NH2-O 2.66Å; R1955-N1985 VanDerWaalsContact NH2-O 3.1Å |
| 1956 | R | 71.6 | Confident | 63.6 | Low | 109 Ų | 109 | 55.9 Ų | 55.9 | 41% | 0.411 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 0 | -174 | -173 | 177.1 | -79.5 | -94.5 | 0.6 | 110.2 | C1950 G1960 Q1961 | C1950-R1956 WeakPolarHBondContact SG-CA 3.37Å; C1950-R1956 WeakPolarHBondContact SG-CB 3.32Å; C1950-R1956 PolarHBondContact SG-N 3.06Å; R1956-G1960 PolarHBondContact NH1-O 3.43Å; R1956-Q1961 CarbonylContact C-O 3.4Å; R1956-Q1961 VanDerWaalsContact C-O 3.31Å; R1956-Q1961 WeakPolarHBondContact CA-O 3.18Å |
| 1957 | C | 72.1 | Confident | 63.1 | Low | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.02 | 34% | 0.335 | C | S | . | . | 0 | 150.2 | 0 | -69.4 | 0 | 0 | 0 | 0 | 109.4 | S1959 G1960 Q1961 C1975 | C1957-S1959 PolarHBondContact O-N 3.06Å; C1957-G1960 PolarHBondContact O-N 3.05Å; C1957-Q1961 HydrophobicContact CB-CB 4.17Å; C1957-Q1961 WeakPolarHBondContact CB-O 3.12Å; C1957-Q1961 PolarHBondContact N-O 3.26Å; C1957-C1975 HydrophobicContact CB-CB 3.79Å; C1957-C1975 WeakPolarHBondContact CB-SG 2.85Å; C1957-C1975 WeakPolarHBondContact SG-CB 3.49Å; C1957-C1975 CovalentContact SG-SG 1.66Å; C1957-C1975 PolarHBondContact SG-SG 3.1Å | |||
| 1958 | P | 63.4 | Low | 63 | Low | 75 Ų | 75 | 55.3 Ų | 55.3 | 49% | 0.487 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -19.6 | 174.6 | -19.7 | 24.4 | 0 | 0 | 0 | 111.9 | G1960 F1979 | P1958-G1960 PolarHBondContact O-N 2.82Å; P1958-F1979 HydrophobicContact CB-CD2 4.13Å; P1958-F1979 HydrophobicContact CB-CE2 4.4Å; P1958-F1979 HydrophobicContact CB-CG 4.4Å; P1958-F1979 VanDerWaalsContact CD-CD2 3.42Å; P1958-F1979 HydrophobicContact CG-CB 3.47Å; P1958-F1979 VanDerWaalsContact CG-CB 3.47Å; P1958-F1979 HydrophobicContact CG-CD1 3.42Å; P1958-F1979 VanDerWaalsContact CG-CD1 3.42Å; P1958-F1979 HydrophobicContact CG-CD2 2.75Å; P1958-F1979 HydrophobicContact CG-CE1 3.77Å; P1958-F1979 HydrophobicContact CG-CE2 3.17Å; P1958-F1979 HydrophobicContact CG-CG 2.89Å; P1958-F1979 HydrophobicContact CG-CZ 3.66Å |
| 1959 | S | 62.3 | Low | 63.1 | Low | 67 Ų | 67 | 52.7 Ų | 52.7 | 47% | 0.469 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 0 | -179.1 | 61.2 | 0 | 0 | 0 | 0 | 110.6 | C1957 | C1957-S1959 PolarHBondContact O-N 3.06Š|
| 1960 | G | 62.6 | Low | 63.3 | Low | 35 Ų | 35 | 53 Ų | 53 | 36% | 0.361 | 30% | 0.298 | S | S | . | . | S | Bend | 0 | -7.4 | 0 | 0 | 0 | 0 | 0 | 0 | 111.8 | R1956 C1957 P1958 | R1956-G1960 PolarHBondContact NH1-O 3.43Å; C1957-G1960 PolarHBondContact O-N 3.05Å; P1958-G1960 PolarHBondContact O-N 2.82Å | |
| 1961 | Q | 67.5 | Low | 63.6 | Low | 84 Ų | 84 | 54.6 Ų | 54.6 | 39% | 0.393 | 32% | 0.318 | S | S | . | . | trans | -80.3 | 0 | 179 | -179.3 | -176.4 | -17.3 | 0 | 0 | 110.6 | R1956 C1957 I1963 | R1956-Q1961 CarbonylContact C-O 3.4Å; R1956-Q1961 VanDerWaalsContact C-O 3.31Å; R1956-Q1961 WeakPolarHBondContact CA-O 3.18Å; C1957-Q1961 HydrophobicContact CB-CB 4.17Å; C1957-Q1961 WeakPolarHBondContact CB-O 3.12Å; C1957-Q1961 PolarHBondContact N-O 3.26Å; Q1961-I1963 HydrophobicContact CG-CG2 4.17Å | ||
| 1962 | C | 70.2 | Confident | 64.5 | Low | 43 Ų | 43 | 55.4 Ų | 55.4 | 29% | 0.291 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 115.4 | 0 | -70.9 | 0 | 0 | 0 | 0 | 110.2 | C1950 Q1954 R1955 | C1950-C1962 HydrophobicContact CB-CB 3.78Å; C1950-C1962 WeakPolarHBondContact CB-SG 3.35Å; C1950-C1962 WeakPolarHBondContact SG-CB 3.36Å; C1950-C1962 CovalentContact SG-SG 2.28Å; C1950-C1962 PolarHBondContact SG-SG 3.22Å; Q1954-C1962 HydrophobicContact CB-CB 4.3Å; R1955-C1962 CarbonylContact O-C 3.1Å; R1955-C1962 VanDerWaalsContact O-CA 3.31Å; R1955-C1962 WeakPolarHBondContact O-CA 3.28Å | |
| 1963 | I | 69.1 | Low | 65.9 | Low | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 148.9 | 178 | 55.8 | 172.4 | 0 | 0 | 0 | 108.8 | Q1954 R1955 Q1961 V1965 Q1967 F1968 D1974 D1980 | Q1954-I1963 CarbonylContact C-O 3.27Å; Q1954-I1963 VanDerWaalsContact C-O 3.32Å; Q1954-I1963 WeakPolarHBondContact CA-O 3.49Å; Q1954-I1963 WeakPolarHBondContact CB-O 3.12Å; R1955-I1963 PolarHBondContact N-O 2.96Å; R1955-I1963 VanDerWaalsContact O-CG1 3.3Å; R1955-I1963 WeakPolarHBondContact O-CG1 3.38Å; R1955-I1963 PolarHBondContact O-N 1.97Å; Q1961-I1963 HydrophobicContact CG-CG2 4.17Å; I1963-V1965 PolarHBondContact O-N 2.96Å; I1963-Q1967 HydrophobicContact CB-CB 4.31Å; I1963-Q1967 HydrophobicContact CD1-CB 4.48Å; I1963-F1968 HydrophobicContact CD1-CD2 3Å; I1963-F1968 HydrophobicContact CD1-CE2 3.38Å; I1963-F1968 HydrophobicContact CD1-CG 4.12Å; I1963-F1968 HydrophobicContact CG1-CD2 3.65Å; I1963-F1968 HydrophobicContact CG1-CE2 3.98Å; I1963-D1974 HydrophobicContact CD1-CB 4.2Å; I1963-D1974 HydrophobicContact CG2-CB 4.24Å; I1963-D1980 HydrophobicContact CD1-CB 3.43Å; I1963-D1980 VanDerWaalsContact CD1-CB 3.43Å |
| 1964 | F | 64.7 | Low | 67.2 | Low | 109 Ų | 109 | 58.1 Ų | 58.1 | 48% | 0.478 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 130.3 | 179.2 | -92.9 | -81.6 | 0 | 0 | 0 | 110.8 | G1953 Q1954 G1966 Q1967 | G1953-F1964 CarbonylContact O-C 3.58Å; G1953-F1964 WeakPolarHBondContact O-CA 3.46Å; Q1954-F1964 HydrophobicContact CG-CD1 4.17Å; Q1954-F1964 HydrophobicContact CG-CD2 4.45Å; Q1954-F1964 HydrophobicContact CG-CE1 4.31Å; Q1954-F1964 HydrophobicContact CG-CG 4.25Å; F1964-G1966 PolarHBondContact O-N 3.25Å; F1964-Q1967 HydrophobicContact CB-CG 4.18Å; F1964-Q1967 WeakPolarHBondContact O-CA 2.74Å; F1964-Q1967 WeakPolarHBondContact O-CB 3.32Å; F1964-Q1967 PolarHBondContact O-N 3.24Å |
| 1965 | V | 61.2 | Low | 67.8 | Low | 15 Ų | 15 | 55.7 Ų | 55.7 | 9% | 0.091 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -47 | 0 | -173.9 | 175.8 | 0 | 0 | 0 | 0 | 109.6 | G1953 I1963 Q1967 F1968 D1990 T1993 | G1953-V1965 VanDerWaalsContact O-CB 3.3Å; G1953-V1965 WeakPolarHBondContact O-CB 3.12Å; G1953-V1965 WeakPolarHBondContact O-CG2 3.41Å; G1953-V1965 PolarHBondContact O-N 3.2Å; I1963-V1965 PolarHBondContact O-N 2.96Å; V1965-Q1967 PolarHBondContact O-N 3.35Å; V1965-F1968 WeakPolarHBondContact O-CB 3.43Å; V1965-F1968 PolarHBondContact O-N 2.54Å; V1965-D1990 WeakPolarHBondContact CB-OD2 3.44Å; V1965-D1990 HydrophobicContact CG1-CB 3.44Å; V1965-D1990 VanDerWaalsContact CG1-CB 3.44Å; V1965-D1990 CovalentContact CG1-OD2 1.8Å; V1965-D1990 WeakPolarHBondContact CG1-OD2 3.44Å; V1965-D1990 WeakPolarHBondContact CG2-OD2 3.29Å; V1965-T1993 VanDerWaalsContact CG1-OG1 3.32Å; V1965-T1993 WeakPolarHBondContact CG1-OG1 3.45Å |
| 1966 | G | 64 | Low | 68.4 | Low | 37 Ų | 37 | 59.7 Ų | 59.7 | 38% | 0.381 | 35% | 0.345 | S | S | . | . | G | 310 helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1964 F1968 D1970 | F1964-G1966 PolarHBondContact O-N 3.25Å; G1966-F1968 VanDerWaalsContact C-N 3.32Å; G1966-D1970 WeakPolarHBondContact O-CB 3.21Å | |
| 1967 | Q | 69 | Low | 68.5 | Low | 72 Ų | 72 | 58 Ų | 58 | 34% | 0.336 | 35% | 0.345 | S | S | . | . | G | 310 helix | 0 | -6.4 | 0 | -69.2 | 179.7 | -30.9 | 0 | 0 | 111.3 | I1963 F1964 V1965 D1970 D1974 | I1963-Q1967 HydrophobicContact CB-CB 4.31Å; I1963-Q1967 HydrophobicContact CD1-CB 4.48Å; F1964-Q1967 HydrophobicContact CB-CG 4.18Å; F1964-Q1967 WeakPolarHBondContact O-CA 2.74Å; F1964-Q1967 WeakPolarHBondContact O-CB 3.32Å; F1964-Q1967 PolarHBondContact O-N 3.24Å; V1965-Q1967 PolarHBondContact O-N 3.35Å; Q1967-D1970 WeakPolarHBondContact CA-OD2 3.47Å; Q1967-D1970 VanDerWaalsContact O-OD1 3.13Å; Q1967-D1974 WeakPolarHBondContact CA-OD2 3.46Å; Q1967-D1974 HydrophobicContact CB-CB 4.09Å; Q1967-D1974 WeakPolarHBondContact CB-OD2 3.36Å | |
| 1968 | F | 66 | Low | 68.6 | Low | 16 Ų | 16 | 58.7 Ų | 58.7 | 7% | 0.07 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 114.2 | 178.6 | -129.3 | -99 | 0 | 0 | 0 | 110.2 | R1955 I1963 V1965 G1966 D1970 F1979 D1980 N1985 | R1955-F1968 HydrophobicContact CB-CD2 3.97Å; R1955-F1968 HydrophobicContact CB-CE2 4.07Å; R1955-F1968 VanDerWaalsContact CZ-CD1 3.5Å; I1963-F1968 HydrophobicContact CD1-CD2 3Å; I1963-F1968 HydrophobicContact CD1-CE2 3.38Å; I1963-F1968 HydrophobicContact CD1-CG 4.12Å; I1963-F1968 HydrophobicContact CG1-CD2 3.65Å; I1963-F1968 HydrophobicContact CG1-CE2 3.98Å; V1965-F1968 WeakPolarHBondContact O-CB 3.43Å; V1965-F1968 PolarHBondContact O-N 2.54Å; G1966-F1968 VanDerWaalsContact C-N 3.32Å; F1968-D1970 PolarHBondContact O-N 2.75Å; F1968-F1979 AromaticContact CZ-CD1 3.77Å; F1968-F1979 HydrophobicContact CZ-CD1 3.77Å; F1968-F1979 AromaticContact CZ-CE1 3.95Å; F1968-F1979 HydrophobicContact CZ-CE1 3.95Å; F1968-D1980 HydrophobicContact CD1-CB 4.11Å; F1968-D1980 HydrophobicContact CD2-CB 3.41Å; F1968-D1980 VanDerWaalsContact CD2-CB 3.41Å; F1968-D1980 HydrophobicContact CE1-CB 4.1Å; F1968-D1980 HydrophobicContact CE2-CB 3.4Å; F1968-D1980 HydrophobicContact CG-CB 3.77Å; F1968-D1980 VanDerWaalsContact CZ-CA 3.45Å; F1968-D1980 HydrophobicContact CZ-CB 3.77Å; F1968-N1985 HydrophobicContact CE1-CB 4.01Å |
| 1969 | C | 64.7 | Low | 69.2 | Low | 46 Ų | 46 | 57.4 Ų | 57.4 | 31% | 0.311 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 35.4 | 178.2 | -63.9 | 0 | 0 | 0 | 0 | 110.3 | D1980 E1981 C1986 | C1969-D1980 PolarHBondContact N-O 3.08Å; C1969-D1980 VanDerWaalsContact N-O 3.11Å; C1969-E1981 WeakPolarHBondContact CA-OE2 3.37Å; C1969-C1986 HydrophobicContact CB-CB 3.83Å; C1969-C1986 WeakPolarHBondContact CB-SG 3.21Å; C1969-C1986 WeakPolarHBondContact SG-CA 2.99Å; C1969-C1986 WeakPolarHBondContact SG-CB 3.17Å; C1969-C1986 CovalentContact SG-SG 1.66Å; C1969-C1986 PolarHBondContact SG-SG 2.91Å |
| 1970 | D | 62.7 | Low | 69.9 | Low | 54 Ų | 54 | 54.2 Ų | 54.2 | 29% | 0.289 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -100.1 | 0 | -179.3 | 61.6 | -9.5 | 0 | 0 | 0 | 110.6 | G1966 Q1967 F1968 K1972 E1981 | G1966-D1970 WeakPolarHBondContact O-CB 3.21Å; Q1967-D1970 WeakPolarHBondContact CA-OD2 3.47Å; Q1967-D1970 VanDerWaalsContact O-OD1 3.13Å; F1968-D1970 PolarHBondContact O-N 2.75Å; D1970-K1972 PolarHBondContact O-N 3Å; D1970-K1972 PolarHBondContact OD1-N 2.87Å; D1970-E1981 PolarHBondContact N-OE1 2.89Å |
| 1971 | G | 67 | Low | 70.7 | Confident | 58 Ų | 58 | 54.9 Ų | 54.9 | 60% | 0.598 | 31% | 0.311 | S | S | * | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.3 | E1981 | G1971-E1981 PolarHBondContact N-OE1 3.13Å; G1971-E1981 PolarHBondContact N-OE2 3.03Å; G1971-E1981 VanDerWaalsContact N-OE2 3.07Å | |
| 1972 | K | 69.4 | Low | 71 | Confident | 148 Ų | 148 | 56.6 Ų | 56.6 | 64% | 0.643 | 31% | 0.313 | S | S | * | . | S | Bend | 0 | 0 | 0 | -70 | -173 | -177 | -177.6 | 0 | 110 | D1970 D1974 E1981 | D1970-K1972 PolarHBondContact O-N 3Å; D1970-K1972 PolarHBondContact OD1-N 2.87Å; K1972-D1974 PolarHBondContact O-N 3.34Å; K1972-E1981 PolarHBondContact N-OE1 3.35Å | |
| 1973 | P | 75.9 | Confident | 70.9 | Confident | 96 Ų | 96 | 59.6 Ų | 59.6 | 62% | 0.623 | 33% | 0.333 | S | S | * | . | 0 | 100.6 | 0 | 3.3 | -0.1 | 0 | 0 | 0 | 111.9 | E1981 | P1973-E1981 HydrophobicContact CB-CG 4.44Š| |||
| 1974 | D | 78.3 | Confident | 70.5 | Confident | 40 Ų | 40 | 66.5 Ų | 66.5 | 21% | 0.214 | 37% | 0.365 | C | S | . | . | trans | -92.5 | 0 | -179.9 | -63.6 | -63 | 0 | 0 | 0 | 110.6 | I1963 Q1967 K1972 D1980 | I1963-D1974 HydrophobicContact CD1-CB 4.2Å; I1963-D1974 HydrophobicContact CG2-CB 4.24Å; Q1967-D1974 WeakPolarHBondContact CA-OD2 3.46Å; Q1967-D1974 HydrophobicContact CB-CB 4.09Å; Q1967-D1974 WeakPolarHBondContact CB-OD2 3.36Å; K1972-D1974 PolarHBondContact O-N 3.34Å; D1974-D1980 VanDerWaalsContact CB-OD2 3.25Å; D1974-D1980 WeakPolarHBondContact CB-OD2 2.91Å; D1974-D1980 PolarHBondContact N-OD1 3.25Å; D1974-D1980 PolarHBondContact N-OD2 3Å | ||
| 1975 | C | 77.5 | Confident | 70.3 | Confident | 5 Ų | 5 | 62.2 Ų | 62.2 | 3% | 0.034 | 35% | 0.347 | C | S | . | . | S | Bend | 0 | 0 | 0 | -70.9 | 0 | 0 | 0 | 0 | 110.8 | C1957 D1977 G1978 F1979 D1980 | C1957-C1975 HydrophobicContact CB-CB 3.79Å; C1957-C1975 WeakPolarHBondContact CB-SG 2.85Å; C1957-C1975 WeakPolarHBondContact SG-CB 3.49Å; C1957-C1975 CovalentContact SG-SG 1.66Å; C1957-C1975 PolarHBondContact SG-SG 3.1Å; C1975-D1977 WeakPolarHBondContact CB-OD1 2.76Å; C1975-D1977 PolarHBondContact O-N 3.49Å; C1975-G1978 WeakPolarHBondContact O-CA 3.28Å; C1975-G1978 PolarHBondContact O-N 3.45Å; C1975-F1979 HydrophobicContact CB-CB 3.97Å; C1975-D1980 HydrophobicContact CB-CB 4.36Å; C1975-D1980 PolarHBondContact N-OD1 2.58Å; C1975-D1980 VanDerWaalsContact N-OD1 3.08Å | |
| 1976 | D | 76.7 | Confident | 70.3 | Confident | 139 Ų | 139 | 63.9 Ų | 63.9 | 74% | 0.743 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -66.8 | -25.5 | 0 | 0 | 0 | 111.1 | |||
| 1977 | D | 74.7 | Confident | 70 | Confident | 74 Ų | 74 | 70.4 Ų | 70.4 | 40% | 0.396 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 58.9 | -8.4 | 0 | 0 | 0 | 110.7 | C1975 F1979 | C1975-D1977 WeakPolarHBondContact CB-OD1 2.76Å; C1975-D1977 PolarHBondContact O-N 3.49Å; D1977-F1979 PolarHBondContact O-N 3.2Å; D1977-F1979 WeakPolarHBondContact OD1-CA 3.16Å; D1977-F1979 WeakPolarHBondContact OD1-CB 3.12Å; D1977-F1979 PolarHBondContact OD1-N 3.21Å; D1977-F1979 WeakPolarHBondContact OD2-CB 3.37Å | |
| 1978 | G | 73.9 | Confident | 69.4 | Low | 18 Ų | 18 | 72.5 Ų | 72.5 | 19% | 0.186 | 39% | 0.385 | C | S | . | . | 0 | 14.2 | 0 | 0 | 0 | 0 | 0 | 0 | 111.8 | C1975 D1980 E1981 | C1975-G1978 WeakPolarHBondContact O-CA 3.28Å; C1975-G1978 PolarHBondContact O-N 3.45Å; G1978-D1980 PolarHBondContact O-N 2.5Å; G1978-E1981 PolarHBondContact O-N 3.01Å | |||
| 1979 | F | 75.5 | Confident | 69 | Low | 48 Ų | 48 | 75.3 Ų | 75.3 | 21% | 0.211 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -51 | -40.3 | -179.9 | -175.9 | -98.1 | 0 | 0 | 0 | 110.6 | P1958 F1968 C1975 D1977 E1981 N1985 | P1958-F1979 HydrophobicContact CB-CD2 4.13Å; P1958-F1979 HydrophobicContact CB-CE2 4.4Å; P1958-F1979 HydrophobicContact CB-CG 4.4Å; P1958-F1979 VanDerWaalsContact CD-CD2 3.42Å; P1958-F1979 HydrophobicContact CG-CB 3.47Å; P1958-F1979 VanDerWaalsContact CG-CB 3.47Å; P1958-F1979 HydrophobicContact CG-CD1 3.42Å; P1958-F1979 VanDerWaalsContact CG-CD1 3.42Å; P1958-F1979 HydrophobicContact CG-CD2 2.75Å; P1958-F1979 HydrophobicContact CG-CE1 3.77Å; P1958-F1979 HydrophobicContact CG-CE2 3.17Å; P1958-F1979 HydrophobicContact CG-CG 2.89Å; P1958-F1979 HydrophobicContact CG-CZ 3.66Å; F1968-F1979 AromaticContact CZ-CD1 3.77Å; F1968-F1979 HydrophobicContact CZ-CD1 3.77Å; F1968-F1979 AromaticContact CZ-CE1 3.95Å; F1968-F1979 HydrophobicContact CZ-CE1 3.95Å; C1975-F1979 HydrophobicContact CB-CB 3.97Å; D1977-F1979 PolarHBondContact O-N 3.2Å; D1977-F1979 WeakPolarHBondContact OD1-CA 3.16Å; D1977-F1979 WeakPolarHBondContact OD1-CB 3.12Å; D1977-F1979 PolarHBondContact OD1-N 3.21Å; D1977-F1979 WeakPolarHBondContact OD2-CB 3.37Å; F1979-E1981 PolarHBondContact O-N 2.89Å; F1979-E1981 VanDerWaalsContact O-N 3.11Å; F1979-N1985 VanDerWaalsContact CD2-ND2 3.26Å; F1979-N1985 WeakPolarHBondContact CD2-ND2 3.18Å; F1979-N1985 HydrophobicContact CE1-CB 4.49Å; F1979-N1985 WeakPolarHBondContact CE1-ND2 3.31Å; F1979-N1985 WeakPolarHBondContact CE2-ND2 3.48Å; F1979-N1985 WeakPolarHBondContact CZ-ND2 3.32Å; F1979-N1985 PolarHBondContact O-ND2 3.18Å |
| 1980 | D | 78.3 | Confident | 68.8 | Low | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -70 | 0 | -177 | 66.5 | -43.9 | 0 | 0 | 0 | 111.4 | I1963 F1968 C1969 D1974 C1975 G1978 | I1963-D1980 HydrophobicContact CD1-CB 3.43Å; I1963-D1980 VanDerWaalsContact CD1-CB 3.43Å; F1968-D1980 HydrophobicContact CD1-CB 4.11Å; F1968-D1980 HydrophobicContact CD2-CB 3.41Å; F1968-D1980 VanDerWaalsContact CD2-CB 3.41Å; F1968-D1980 HydrophobicContact CE1-CB 4.1Å; F1968-D1980 HydrophobicContact CE2-CB 3.4Å; F1968-D1980 HydrophobicContact CG-CB 3.77Å; F1968-D1980 VanDerWaalsContact CZ-CA 3.45Å; F1968-D1980 HydrophobicContact CZ-CB 3.77Å; C1969-D1980 PolarHBondContact N-O 3.08Å; C1969-D1980 VanDerWaalsContact N-O 3.11Å; D1974-D1980 VanDerWaalsContact CB-OD2 3.25Å; D1974-D1980 WeakPolarHBondContact CB-OD2 2.91Å; D1974-D1980 PolarHBondContact N-OD1 3.25Å; D1974-D1980 PolarHBondContact N-OD2 3Å; C1975-D1980 HydrophobicContact CB-CB 4.36Å; C1975-D1980 PolarHBondContact N-OD1 2.58Å; C1975-D1980 VanDerWaalsContact N-OD1 3.08Å; G1978-D1980 PolarHBondContact O-N 2.5Å |
| 1981 | E | 78.2 | Confident | 68.9 | Low | 49 Ų | 49 | 72.5 Ų | 72.5 | 23% | 0.229 | 39% | 0.388 | C | S | . | . | G | 310 helix | 0 | 11.1 | 0 | -60.8 | -68.7 | 167.2 | 0 | 0 | 110.1 | C1969 D1970 G1971 K1972 P1973 G1978 F1979 | C1969-E1981 WeakPolarHBondContact CA-OE2 3.37Å; D1970-E1981 PolarHBondContact N-OE1 2.89Å; G1971-E1981 PolarHBondContact N-OE1 3.13Å; G1971-E1981 PolarHBondContact N-OE2 3.03Å; G1971-E1981 VanDerWaalsContact N-OE2 3.07Å; K1972-E1981 PolarHBondContact N-OE1 3.35Å; P1973-E1981 HydrophobicContact CB-CG 4.44Å; G1978-E1981 PolarHBondContact O-N 3.01Å; F1979-E1981 PolarHBondContact O-N 2.89Å; F1979-E1981 VanDerWaalsContact O-N 3.11Å | |
| 1982 | R | 75 | Confident | 68.9 | Low | 119 Ų | 119 | 70.2 Ų | 70.2 | 45% | 0.449 | 36% | 0.362 | S | S | . | . | trans | -83.4 | 124.5 | -179.7 | -70.9 | -178.1 | -178 | -172.5 | -0.7 | 109.9 | E1984 N1985 C1986 | R1982-E1984 HydrophobicContact CB-CG 4.48Å; R1982-E1984 PolarHBondContact O-N 2.68Å; R1982-E1984 VanDerWaalsContact O-N 3.07Å; R1982-N1985 HydrophobicContact CB-CB 4.49Å; R1982-N1985 PolarHBondContact O-N 2.45Å; R1982-C1986 PolarHBondContact O-N 2.61Å; R1982-C1986 PolarHBondContact O-SG 3.43Å | ||
| 1983 | P | 67.4 | Low | 68.9 | Low | 107 Ų | 107 | 64.3 Ų | 64.3 | 70% | 0.695 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -49 | 0 | -175.5 | -12.8 | 15.6 | 0 | 0 | 0 | 111.7 | N1985 C1986 E1987 | P1983-N1985 VanDerWaalsContact C-N 3.27Å; P1983-N1985 PolarHBondContact O-N 2.95Å; P1983-C1986 PolarHBondContact O-N 3.22Å; P1983-E1987 PolarHBondContact O-N 3.34Å |
| 1984 | E | 60.2 | Low | 68.7 | Low | 146 Ų | 146 | 62.9 Ų | 62.9 | 68% | 0.682 | 32% | 0.322 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -9.6 | -169.8 | -167.8 | 0 | 0 | 110.3 | R1982 | R1982-E1984 HydrophobicContact CB-CG 4.48Å; R1982-E1984 PolarHBondContact O-N 2.68Å; R1982-E1984 VanDerWaalsContact O-N 3.07Å | |
| 1985 | N | 60.2 | Low | 68.4 | Low | 19 Ų | 19 | 64.8 Ų | 64.8 | 10% | 0.102 | 34% | 0.337 | C | S | . | . | H | α-helix | 0 | 0 | 0 | -66 | -27.1 | 0 | 0 | 0 | 111.2 | R1955 F1968 F1979 R1982 P1983 E1987 Y1988 | R1955-N1985 PolarHBondContact NH2-O 2.66Å; R1955-N1985 VanDerWaalsContact NH2-O 3.1Å; F1968-N1985 HydrophobicContact CE1-CB 4.01Å; F1979-N1985 VanDerWaalsContact CD2-ND2 3.26Å; F1979-N1985 WeakPolarHBondContact CD2-ND2 3.18Å; F1979-N1985 HydrophobicContact CE1-CB 4.49Å; F1979-N1985 WeakPolarHBondContact CE1-ND2 3.31Å; F1979-N1985 WeakPolarHBondContact CE2-ND2 3.48Å; F1979-N1985 WeakPolarHBondContact CZ-ND2 3.32Å; F1979-N1985 PolarHBondContact O-ND2 3.18Å; R1982-N1985 HydrophobicContact CB-CB 4.49Å; R1982-N1985 PolarHBondContact O-N 2.45Å; P1983-N1985 VanDerWaalsContact C-N 3.27Å; P1983-N1985 PolarHBondContact O-N 2.95Å; N1985-E1987 PolarHBondContact O-N 2.85Å; N1985-Y1988 VanDerWaalsContact O-CB 3.25Å; N1985-Y1988 WeakPolarHBondContact O-CB 3.36Å; N1985-Y1988 PolarHBondContact O-N 3.4Å | |
| 1986 | C | 62.1 | Low | 68.3 | Low | 50 Ų | 50 | 65.2 Ų | 65.2 | 34% | 0.338 | 34% | 0.34 | S | S | . | . | H | α-helix | 0 | -8.9 | 0 | -72.3 | 0 | 0 | 0 | 0 | 110.6 | C1969 R1982 P1983 Y1988 | C1969-C1986 HydrophobicContact CB-CB 3.83Å; C1969-C1986 WeakPolarHBondContact CB-SG 3.21Å; C1969-C1986 WeakPolarHBondContact SG-CA 2.99Å; C1969-C1986 WeakPolarHBondContact SG-CB 3.17Å; C1969-C1986 CovalentContact SG-SG 1.66Å; C1969-C1986 PolarHBondContact SG-SG 2.91Å; R1982-C1986 PolarHBondContact O-N 2.61Å; R1982-C1986 PolarHBondContact O-SG 3.43Å; P1983-C1986 PolarHBondContact O-N 3.22Å; C1986-Y1988 PolarHBondContact O-N 3.45Å | |
| 1987 | E | 57.3 | Low | 68.3 | Low | 175 Ų | 175 | 64 Ų | 64 | 82% | 0.818 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 0 | 178.4 | -142.9 | 178.4 | 174.7 | 0 | 0 | 110.2 | P1983 N1985 | P1983-E1987 PolarHBondContact O-N 3.34Å; N1985-E1987 PolarHBondContact O-N 2.85Å |
| 1988 | Y | 55.5 | Low | 68.3 | Low | 116 Ų | 116 | 65.4 Ų | 65.4 | 46% | 0.455 | 34% | 0.336 | S | S | . | . | S | Bend | 0 | 117.8 | 0 | -99.8 | -89.2 | 0 | 0 | 0 | 110 | N1985 C1986 | N1985-Y1988 VanDerWaalsContact O-CB 3.25Å; N1985-Y1988 WeakPolarHBondContact O-CB 3.36Å; N1985-Y1988 PolarHBondContact O-N 3.4Å; C1986-Y1988 PolarHBondContact O-N 3.45Å | |
| 1989 | C | 58 | Low | 68.2 | Low | 74 Ų | 74 | 65 Ų | 65 | 50% | 0.5 | 33% | 0.33 | S | S | . | . | trans | -71.8 | 0 | -172.1 | 103.1 | 0 | 0 | 0 | 0 | 110.1 | C2121 | C1989-C2121 VanDerWaalsContact CA-SG 3.52Å; C1989-C2121 HydrophobicContact CB-CB 3.37Å; C1989-C2121 WeakPolarHBondContact CB-SG 2.99Å; C1989-C2121 PolarHBondContact O-SG 2.93Å; C1989-C2121 WeakPolarHBondContact SG-CA 3.09Å; C1989-C2121 CovalentContact SG-CB 1.77Å; C1989-C2121 WeakPolarHBondContact SG-CB 3.12Å; C1989-C2121 PolarHBondContact SG-N 2.8Å; C1989-C2121 CovalentContact SG-SG 1.74Å; C1989-C2121 PolarHBondContact SG-SG 3.28Å | ||
| 1990 | D | 62.1 | Low | 68.1 | Low | 28 Ų | 28 | 70.3 Ų | 70.3 | 15% | 0.15 | 36% | 0.361 | C | S | . | . | 0 | 123.9 | 0 | -174.6 | -14.8 | 0 | 0 | 0 | 109.8 | V1965 I1992 T1993 C2121 | V1965-D1990 WeakPolarHBondContact CB-OD2 3.44Å; V1965-D1990 HydrophobicContact CG1-CB 3.44Å; V1965-D1990 VanDerWaalsContact CG1-CB 3.44Å; V1965-D1990 CovalentContact CG1-OD2 1.8Å; V1965-D1990 WeakPolarHBondContact CG1-OD2 3.44Å; V1965-D1990 WeakPolarHBondContact CG2-OD2 3.29Å; D1990-I1992 PolarHBondContact O-N 3.16Å; D1990-I1992 PolarHBondContact OD1-N 3.26Å; D1990-T1993 PolarHBondContact OD2-OG1 3.31Å; D1990-T1993 VanDerWaalsContact OD2-OG1 3.12Å; D1990-C2121 VanDerWaalsContact C-SG 3.52Å; D1990-C2121 PolarHBondContact N-SG 3.38Å | |||
| 1991 | P | 64.2 | Low | 67.6 | Low | 13 Ų | 13 | 73.5 Ų | 73.5 | 8% | 0.084 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -67.7 | -16.5 | -173.7 | 9.4 | -11.5 | 0 | 0 | 0 | 111.8 | L2011 I2114 | P1991-L2011 WeakPolarHBondContact O-CD1 3.4Å; P1991-I2114 HydrophobicContact CB-CG2 3.9Å |
| 1992 | I | 66.4 | Low | 67.4 | Low | 11 Ų | 11 | 76 Ų | 76 | 6% | 0.056 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -109 | 0 | -170.8 | -63.6 | 174.2 | 0 | 0 | 0 | 109.2 | D1990 E2010 L2011 I2114 L2164 | D1990-I1992 PolarHBondContact O-N 3.16Å; D1990-I1992 PolarHBondContact OD1-N 3.26Å; I1992-E2010 HydrophobicContact CG2-CB 4.35Å; I1992-E2010 CarbonylContact O-C 3.51Å; I1992-L2011 HydrophobicContact CG2-CB 4.5Å; I1992-L2011 WeakPolarHBondContact O-CA 3.2Å; I1992-L2011 WeakPolarHBondContact O-CB 3.48Å; I1992-L2011 WeakPolarHBondContact O-CD1 3.45Å; I1992-L2011 PolarHBondContact O-N 2.67Å; I1992-I2114 HydrophobicContact CG1-CD1 3.98Å; I1992-L2164 HydrophobicContact CD1-CD2 4.27Å; I1992-L2164 HydrophobicContact CG1-CD1 4.38Å |
| 1993 | T | 70.1 | Confident | 67.2 | Low | 24 Ų | 24 | 74.1 Ų | 74.1 | 15% | 0.147 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -55 | 0 | 0 | 0 | 0 | 110 | V1965 D1990 T2008 | V1965-T1993 VanDerWaalsContact CG1-OG1 3.32Å; V1965-T1993 WeakPolarHBondContact CG1-OG1 3.45Å; D1990-T1993 PolarHBondContact OD2-OG1 3.31Å; D1990-T1993 VanDerWaalsContact OD2-OG1 3.12Å; T1993-T2008 HydrophobicContact CG2-CG2 4.26Å | |
| 1994 | K | 72 | Confident | 67.4 | Low | 65 Ų | 65 | 70.5 Ų | 70.5 | 28% | 0.283 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 146 | 0 | -62.5 | -68.9 | -176.3 | -176.4 | 0 | 110.6 | T2008 Y2009 L2011 | K1994-T2008 CarbonylContact O-C 3.41Å; K1994-T2008 VanDerWaalsContact O-CA 3.3Å; K1994-T2008 WeakPolarHBondContact O-CA 3.47Å; K1994-Y2009 HydrophobicContact CB-CD1 4.17Å; K1994-Y2009 HydrophobicContact CB-CE1 3.5Å; K1994-Y2009 HydrophobicContact CB-CE2 4.23Å; K1994-Y2009 PolarHBondContact N-O 3.22Å; K1994-Y2009 WeakPolarHBondContact O-CD1 3.06Å; K1994-Y2009 PolarHBondContact O-N 3.19Å; K1994-L2011 HydrophobicContact CD-CD1 3.6Å; K1994-L2011 HydrophobicContact CG-CD1 3.12Å; K1994-L2011 HydrophobicContact CG-CG 3.92Å | |
| 1995 | P | 70.5 | Confident | 68.2 | Low | 80 Ų | 80 | 74 Ų | 74 | 52% | 0.519 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 0 | -175.1 | 21 | -24.3 | 0 | 0 | 0 | 111.7 | ||
| 1996 | C | 76.7 | Confident | 68.6 | Low | 14 Ų | 14 | 78.4 Ų | 78.4 | 10% | 0.095 | 42% | 0.416 | C | S | . | . | 0 | 127.1 | 0 | -73.3 | 0 | 0 | 0 | 0 | 111 | P2004 E2006 K2007 C2021 | C1996-P2004 HydrophobicContact CB-CB 3.17Å; C1996-P2004 HydrophobicContact CB-CG 3.63Å; C1996-E2006 WeakPolarHBondContact CB-O 3.03Å; C1996-E2006 PolarHBondContact SG-O 2.83Å; C1996-K2007 WeakPolarHBondContact CB-O 3Å; C1996-K2007 PolarHBondContact N-O 2.94Å; C1996-C2021 HydrophobicContact CB-CB 3.61Å; C1996-C2021 WeakPolarHBondContact CB-SG 3.41Å; C1996-C2021 WeakPolarHBondContact SG-CA 3.19Å; C1996-C2021 WeakPolarHBondContact SG-CB 3.03Å; C1996-C2021 CovalentContact SG-SG 1.81Å; C1996-C2021 PolarHBondContact SG-SG 3.28Å | |||
| 1997 | E | 76.4 | Confident | 68.9 | Low | 113 Ų | 113 | 83.1 Ų | 83.1 | 53% | 0.528 | 43% | 0.431 | S | S | . | . | trans | -106.7 | 160.5 | -178.3 | -67.3 | -178.8 | -174.8 | 0 | 0 | 110 | V1999 N2023 F2025 | E1997-V1999 PolarHBondContact O-N 3.17Å; E1997-V1999 VanDerWaalsContact O-N 3.1Å; E1997-N2023 PolarHBondContact O-ND2 2.75Å; E1997-F2025 HydrophobicContact CB-CD1 4.41Å; E1997-F2025 HydrophobicContact CB-CD2 3.69Å; E1997-F2025 HydrophobicContact CB-CE1 4.05Å; E1997-F2025 HydrophobicContact CB-CE2 3.25Å; E1997-F2025 HydrophobicContact CB-CG 4.24Å; E1997-F2025 HydrophobicContact CB-CZ 3.46Å; E1997-F2025 VanDerWaalsContact CB-CZ 3.46Å; E1997-F2025 VanDerWaalsContact CD-CZ 3.44Å; E1997-F2025 HydrophobicContact CG-CE1 4.05Å; E1997-F2025 HydrophobicContact CG-CE2 3.87Å; E1997-F2025 HydrophobicContact CG-CZ 3.52Å; E1997-F2025 WeakPolarHBondContact OE2-CE2 3.28Å; E1997-F2025 WeakPolarHBondContact OE2-CZ 3.46Å | ||
| 1998 | I | 74.2 | Confident | 69.5 | Low | 105 Ų | 105 | 77.7 Ų | 77.7 | 54% | 0.538 | 41% | 0.41 | S | S | . | . | trans | -72.5 | 115 | -177.6 | -63.9 | 169.5 | 0 | 0 | 0 | 109.1 | ||||
| 1999 | V | 72.4 | Confident | 70.5 | Confident | 10 Ų | 10 | 72.8 Ų | 72.8 | 6% | 0.061 | 39% | 0.39 | C | S | . | . | B | Isolated β-bridge | trans | -103.9 | 119.2 | 178.8 | 177.4 | 0 | 0 | 0 | 0 | 108.6 | E1997 G2001 I2002 N2023 F2025 | E1997-V1999 PolarHBondContact O-N 3.17Å; E1997-V1999 VanDerWaalsContact O-N 3.1Å; V1999-G2001 VanDerWaalsContact C-N 3.31Å; V1999-G2001 PolarHBondContact O-N 1.83Å; V1999-I2002 PolarHBondContact N-O 3.17Å; V1999-I2002 PolarHBondContact O-N 3.4Å; V1999-I2002 VanDerWaalsContact O-N 3.14Å; V1999-N2023 WeakPolarHBondContact CB-O 3.41Å; V1999-N2023 PolarHBondContact N-ND2 3.28Å; V1999-F2025 HydrophobicContact CB-CB 4.41Å; V1999-F2025 HydrophobicContact CB-CD2 4.44Å; V1999-F2025 HydrophobicContact CG2-CB 3.13Å; V1999-F2025 HydrophobicContact CG2-CD2 2.89Å; V1999-F2025 HydrophobicContact CG2-CE2 4.05Å; V1999-F2025 HydrophobicContact CG2-CG 3.44Å; V1999-F2025 VanDerWaalsContact CG2-CG 3.44Å |
| 2000 | N | 72.8 | Confident | 71.3 | Confident | 158 Ų | 158 | 72.2 Ų | 72.2 | 85% | 0.845 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 0 | 179.2 | -65.9 | -26.4 | 0 | 0 | 0 | 111.6 | I2002 | N2000-I2002 VanDerWaalsContact C-N 3.31Å; N2000-I2002 PolarHBondContact O-N 3.39Å |
| 2001 | G | 68.5 | Low | 71.9 | Confident | 68 Ų | 68 | 71.9 Ų | 71.9 | 70% | 0.701 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1999 | V1999-G2001 VanDerWaalsContact C-N 3.31Å; V1999-G2001 PolarHBondContact O-N 1.83Å | |
| 2002 | I | 72.4 | Confident | 72.3 | Confident | 101 Ų | 101 | 72.4 Ų | 72.4 | 52% | 0.518 | 38% | 0.38 | S | S | . | . | B | Isolated β-bridge | 0 | 109.9 | 0 | -60 | 169.7 | 0 | 0 | 0 | 108.7 | V1999 N2000 N2023 | V1999-I2002 PolarHBondContact N-O 3.17Å; V1999-I2002 PolarHBondContact O-N 3.4Å; V1999-I2002 VanDerWaalsContact O-N 3.14Å; N2000-I2002 VanDerWaalsContact C-N 3.31Å; N2000-I2002 PolarHBondContact O-N 3.39Å; I2002-N2023 HydrophobicContact CB-CB 3.86Å; I2002-N2023 HydrophobicContact CG2-CB 3.6Å; I2002-N2023 WeakPolarHBondContact O-CB 3.46Å; I2002-N2023 PolarHBondContact O-ND2 1.42Å | |
| 2003 | S | 70.8 | Confident | 72.9 | Confident | 80 Ų | 80 | 75.9 Ų | 75.9 | 56% | 0.559 | 39% | 0.392 | S | S | * | . | trans | -61.8 | 132.7 | 175.8 | -54.9 | 0 | 0 | 0 | 0 | 110.8 | R2005 | S2003-R2005 PolarHBondContact O-N 2.76Š| ||
| 2004 | P | 73 | Confident | 73.3 | Confident | 30 Ų | 30 | 78.8 Ų | 78.8 | 20% | 0.195 | 40% | 0.401 | C | S | . | . | trans | -58.3 | 129.7 | -179.3 | 18.4 | -19.3 | 0 | 0 | 0 | 112.1 | C1996 E2006 C2021 | C1996-P2004 HydrophobicContact CB-CB 3.17Å; C1996-P2004 HydrophobicContact CB-CG 3.63Å; P2004-E2006 WeakPolarHBondContact CB-O 3.16Å; P2004-C2021 CarbonylContact C-O 3.58Å; P2004-C2021 WeakPolarHBondContact CA-O 2.88Å; P2004-C2021 HydrophobicContact CB-CB 4.22Å; P2004-C2021 WeakPolarHBondContact CB-O 2.96Å | ||
| 2005 | R | 77.6 | Confident | 73.7 | Confident | 221 Ų | 221 | 75.8 Ų | 75.8 | 83% | 0.834 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -60.3 | -39.8 | 175.5 | -159.5 | 176.3 | 174.4 | 175.9 | 0.7 | 111.3 | S2003 C2021 | S2003-R2005 PolarHBondContact O-N 2.76Å; R2005-C2021 PolarHBondContact N-O 2.68Å |
| 2006 | E | 68.1 | Low | 74.1 | Confident | 111 Ų | 111 | 72.4 Ų | 72.4 | 52% | 0.519 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -107.8 | 137.4 | 174.5 | -66.6 | -70.8 | 157.2 | 0 | 0 | 110.4 | C1996 P2004 T2008 D2020 C2021 | C1996-E2006 WeakPolarHBondContact CB-O 3.03Å; C1996-E2006 PolarHBondContact SG-O 2.83Å; P2004-E2006 WeakPolarHBondContact CB-O 3.16Å; E2006-T2008 VanDerWaalsContact C-N 3.34Å; E2006-D2020 WeakPolarHBondContact CB-O 3.44Å; E2006-D2020 WeakPolarHBondContact CG-O 2.73Å; E2006-C2021 PolarHBondContact N-O 2.82Å |
| 2007 | K | 67.8 | Low | 74.1 | Confident | 149 Ų | 149 | 72.6 Ų | 72.6 | 65% | 0.648 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -74.3 | -28.3 | -172.2 | -75.3 | -172.9 | -177.2 | 179.5 | 0 | 110.3 | C1996 | C1996-K2007 WeakPolarHBondContact CB-O 3Å; C1996-K2007 PolarHBondContact N-O 2.94Å |
| 2008 | T | 69.4 | Low | 74.4 | Confident | 60 Ų | 60 | 70 Ų | 70 | 37% | 0.368 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 151 | -177.3 | 56.1 | 0 | 0 | 0 | 0 | 108.9 | T1993 K1994 E2006 | T1993-T2008 HydrophobicContact CG2-CG2 4.26Å; K1994-T2008 CarbonylContact O-C 3.41Å; K1994-T2008 VanDerWaalsContact O-CA 3.3Å; K1994-T2008 WeakPolarHBondContact O-CA 3.47Å; E2006-T2008 VanDerWaalsContact C-N 3.34Å |
| 2009 | Y | 77.1 | Confident | 74.7 | Confident | 13 Ų | 13 | 68.2 Ų | 68.2 | 5% | 0.051 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 0 | 171 | 70.2 | -79.7 | 0 | 0 | 0 | 109.3 | K1994 W2013 R2014 F2025 D2026 | K1994-Y2009 HydrophobicContact CB-CD1 4.17Å; K1994-Y2009 HydrophobicContact CB-CE1 3.5Å; K1994-Y2009 HydrophobicContact CB-CE2 4.23Å; K1994-Y2009 PolarHBondContact N-O 3.22Å; K1994-Y2009 WeakPolarHBondContact O-CD1 3.06Å; K1994-Y2009 PolarHBondContact O-N 3.19Å; Y2009-W2013 HydrophobicContact CD2-CB 4.35Å; Y2009-R2014 HydrophobicContact CE2-CB 3.78Å; Y2009-R2014 HydrophobicContact CE2-CG 4.39Å; Y2009-F2025 HydrophobicContact CE1-CD1 4.15Å; Y2009-F2025 HydrophobicContact CE1-CE1 4.09Å; Y2009-D2026 HydrophobicContact CD1-CB 4.2Å; Y2009-D2026 HydrophobicContact CD2-CB 3.72Å; Y2009-D2026 HydrophobicContact CE1-CB 4.41Å; Y2009-D2026 HydrophobicContact CE2-CB 3.96Å; Y2009-D2026 HydrophobicContact CG-CB 3.86Å |
| 2010 | E | 75.1 | Confident | 75 | Confident | 62 Ų | 62 | 69.5 Ų | 69.5 | 29% | 0.29 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 135.5 | 0 | -69.3 | -172.2 | -172.5 | 0 | 0 | 110.9 | I1992 H2012 W2013 | I1992-E2010 HydrophobicContact CG2-CB 4.35Å; I1992-E2010 CarbonylContact O-C 3.51Å; E2010-H2012 PolarHBondContact O-N 2.52Å; E2010-H2012 VanDerWaalsContact O-N 3.1Å; E2010-H2012 IonicContact OE2-CE1 3.83Å; E2010-H2012 PolarHBondContact OE2-CE1 2.93Å; E2010-H2012 IonicContact OE2-ND1 3.17Å; E2010-H2012 PolarHBondContact OE2-ND1 3.34Å; E2010-H2012 VanDerWaalsContact OE2-ND1 3.15Å; E2010-H2012 IonicContact OE2-NE2 3.98Å; E2010-W2013 HydrophobicContact CB-CD2 3.8Å; E2010-W2013 HydrophobicContact CB-CE3 4.24Å; E2010-W2013 HydrophobicContact CB-CG 3.95Å; E2010-W2013 HydrophobicContact CG-CD2 4.37Å; E2010-W2013 HydrophobicContact CG-CH2 4.43Å; E2010-W2013 HydrophobicContact CG-CZ2 4.29Å; E2010-W2013 VanDerWaalsContact O-CA 3.25Å; E2010-W2013 WeakPolarHBondContact O-CA 3.32Å; E2010-W2013 WeakPolarHBondContact O-CB 3.29Å; E2010-W2013 PolarHBondContact O-N 2.8Å | |
| 2011 | L | 74.4 | Confident | 75.4 | Confident | 22 Ų | 22 | 62 Ų | 62 | 12% | 0.115 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -49.8 | 0 | -170.4 | -124.5 | 110.5 | 0 | 0 | 0 | 110.2 | P1991 I1992 K1994 W2013 R2014 M2112 I2114 | P1991-L2011 WeakPolarHBondContact O-CD1 3.4Å; I1992-L2011 HydrophobicContact CG2-CB 4.5Å; I1992-L2011 WeakPolarHBondContact O-CA 3.2Å; I1992-L2011 WeakPolarHBondContact O-CB 3.48Å; I1992-L2011 WeakPolarHBondContact O-CD1 3.45Å; I1992-L2011 PolarHBondContact O-N 2.67Å; K1994-L2011 HydrophobicContact CD-CD1 3.6Å; K1994-L2011 HydrophobicContact CG-CD1 3.12Å; K1994-L2011 HydrophobicContact CG-CG 3.92Å; L2011-W2013 PolarHBondContact O-N 3.04Å; L2011-R2014 WeakPolarHBondContact O-CB 2.89Å; L2011-R2014 PolarHBondContact O-N 3.38Å; L2011-M2112 HydrophobicContact CB-SD 3.59Å; L2011-M2112 VanDerWaalsContact CB-SD 3.59Å; L2011-M2112 HydrophobicContact CD2-CG 4.32Å; L2011-M2112 HydrophobicContact CD2-SD 3.36Å; L2011-M2112 WeakPolarHBondContact CD2-SD 3.42Å; L2011-M2112 HydrophobicContact CG-SD 3.97Å; L2011-M2112 WeakPolarHBondContact O-CE 3.06Å; L2011-I2114 HydrophobicContact CB-CD1 4.36Å; L2011-I2114 HydrophobicContact CD2-CD1 4.16Å; L2011-I2114 HydrophobicContact CD2-CG1 3.95Å |
| 2012 | H | 72.3 | Confident | 75.9 | Confident | 23 Ų | 23 | 60.2 Ų | 60.2 | 11% | 0.106 | 30% | 0.297 | C | S | . | . | G | 310 helix | 0 | -3.5 | 0 | 80.3 | -85.5 | 0 | 0 | 0 | 111.2 | E2010 R2014 R2035 | E2010-H2012 PolarHBondContact O-N 2.52Å; E2010-H2012 VanDerWaalsContact O-N 3.1Å; E2010-H2012 IonicContact OE2-CE1 3.83Å; E2010-H2012 PolarHBondContact OE2-CE1 2.93Å; E2010-H2012 IonicContact OE2-ND1 3.17Å; E2010-H2012 PolarHBondContact OE2-ND1 3.34Å; E2010-H2012 VanDerWaalsContact OE2-ND1 3.15Å; E2010-H2012 IonicContact OE2-NE2 3.98Å; H2012-R2014 VanDerWaalsContact C-N 3.31Å; H2012-R2035 PolarHBondContact O-NH1 3.21Å | |
| 2013 | W | 78.6 | Confident | 76.3 | Confident | 84 Ų | 84 | 55.9 Ų | 55.9 | 32% | 0.318 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -91.1 | -7 | 174.1 | -66.8 | -0.6 | 0 | 0 | 0 | 111 | Y2009 E2010 L2011 C2015 D2016 D2020 | Y2009-W2013 HydrophobicContact CD2-CB 4.35Å; E2010-W2013 HydrophobicContact CB-CD2 3.8Å; E2010-W2013 HydrophobicContact CB-CE3 4.24Å; E2010-W2013 HydrophobicContact CB-CG 3.95Å; E2010-W2013 HydrophobicContact CG-CD2 4.37Å; E2010-W2013 HydrophobicContact CG-CH2 4.43Å; E2010-W2013 HydrophobicContact CG-CZ2 4.29Å; E2010-W2013 VanDerWaalsContact O-CA 3.25Å; E2010-W2013 WeakPolarHBondContact O-CA 3.32Å; E2010-W2013 WeakPolarHBondContact O-CB 3.29Å; E2010-W2013 PolarHBondContact O-N 2.8Å; L2011-W2013 PolarHBondContact O-N 3.04Å; W2013-C2015 PolarHBondContact O-N 3.19Å; W2013-D2016 WeakPolarHBondContact CA-OD2 3.31Å; W2013-D2020 HydrophobicContact CB-CB 4.49Å; W2013-D2020 WeakPolarHBondContact CB-OD2 3.26Å; W2013-D2020 HydrophobicContact CE3-CB 3.84Å |
| 2014 | R | 79.9 | Confident | 76.6 | Confident | 86 Ų | 86 | 60.6 Ų | 60.6 | 33% | 0.325 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 122.4 | 176.4 | -176.1 | 173.2 | -176.5 | -178 | 1.2 | 110.1 | Y2009 L2011 H2012 D2016 R2035 M2112 | Y2009-R2014 HydrophobicContact CE2-CB 3.78Å; Y2009-R2014 HydrophobicContact CE2-CG 4.39Å; L2011-R2014 WeakPolarHBondContact O-CB 2.89Å; L2011-R2014 PolarHBondContact O-N 3.38Å; H2012-R2014 VanDerWaalsContact C-N 3.31Å; R2014-D2016 VanDerWaalsContact C-N 3.29Å; R2014-D2016 PolarHBondContact O-N 2.12Å; R2014-R2035 PolarHBondContact O-NH1 2.78Å; R2014-R2035 CovalentContact O-NH2 1.4Å; R2014-R2035 PolarHBondContact O-NH2 3.06Å; R2014-M2112 HydrophobicContact CB-CE 3.96Å |
| 2015 | C | 79.4 | Confident | 77.1 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.007 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 35.6 | 176.2 | -64.2 | 0 | 0 | 0 | 0 | 110.2 | W2013 G2017 D2026 E2027 C2030 T2044 | W2013-C2015 PolarHBondContact O-N 3.19Å; C2015-G2017 VanDerWaalsContact C-N 3.31Å; C2015-D2026 PolarHBondContact N-O 2.44Å; C2015-E2027 WeakPolarHBondContact CA-OE2 3.12Å; C2015-C2030 WeakPolarHBondContact CA-SG 3.48Å; C2015-C2030 HydrophobicContact CB-CB 3.62Å; C2015-C2030 WeakPolarHBondContact CB-SG 3.32Å; C2015-C2030 WeakPolarHBondContact SG-CA 3.4Å; C2015-C2030 WeakPolarHBondContact SG-CB 3.24Å; C2015-C2030 CovalentContact SG-SG 2.17Å; C2015-C2030 PolarHBondContact SG-SG 3.33Å; C2015-T2044 HydrophobicContact CB-CG2 4.33Å |
| 2016 | D | 78.3 | Confident | 77.2 | Confident | 9 Ų | 9 | 50.7 Ų | 50.7 | 5% | 0.048 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -99.3 | 0 | 179.7 | 65.1 | -12.5 | 0 | 0 | 0 | 110.8 | W2013 R2014 E2018 E2027 P2057 F2058 A2059 | W2013-D2016 WeakPolarHBondContact CA-OD2 3.31Å; R2014-D2016 VanDerWaalsContact C-N 3.29Å; R2014-D2016 PolarHBondContact O-N 2.12Å; D2016-E2018 PolarHBondContact OD1-N 2.41Å; D2016-E2027 PolarHBondContact N-OE1 2.59Å; D2016-E2027 PolarHBondContact N-OE2 2.51Å; D2016-P2057 CarbonylContact O-C 3.56Å; D2016-F2058 HydrophobicContact CB-CB 4.43Å; D2016-F2058 PolarHBondContact O-N 3.18Å; D2016-A2059 HydrophobicContact CB-CB 4.22Å; D2016-A2059 PolarHBondContact O-N 2.97Å |
| 2017 | G | 77.8 | Confident | 77.8 | Confident | 18 Ų | 18 | 47 Ų | 47 | 19% | 0.186 | 22% | 0.223 | C | C | . | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.9 | C2015 E2027 T2044 | C2015-G2017 VanDerWaalsContact C-N 3.31Å; G2017-E2027 VanDerWaalsContact N-CD 3.29Å; G2017-E2027 PolarHBondContact N-OE1 2.61Å; G2017-E2027 VanDerWaalsContact N-OE1 3.08Å; G2017-E2027 PolarHBondContact N-OE2 3.25Å; G2017-T2044 WeakPolarHBondContact CA-O 3.38Å | |
| 2018 | E | 81.6 | Confident | 78.3 | Confident | 60 Ų | 60 | 44 Ų | 44 | 28% | 0.28 | 21% | 0.211 | S | C | . | . | S | Bend | 0 | 142.8 | 0 | -66.1 | -73.5 | 143.4 | 0 | 0 | 110.5 | D2016 D2020 E2027 A2059 Y2060 | D2016-E2018 PolarHBondContact OD1-N 2.41Å; E2018-D2020 PolarHBondContact O-N 3.23Å; E2018-E2027 PolarHBondContact N-OE1 3.37Å; E2018-E2027 WeakPolarHBondContact O-CG 3.27Å; E2018-A2059 HydrophobicContact CG-CB 3.68Å; E2018-Y2060 WeakPolarHBondContact OE1-CE2 3.23Å; E2018-Y2060 PolarHBondContact OE1-OH 3.29Å | |
| 2019 | D | 82.1 | Confident | 78.5 | Confident | 66 Ų | 66 | 47.1 Ų | 47.1 | 35% | 0.353 | 23% | 0.226 | S | C | . | . | trans | -83.1 | 0 | 177.4 | -175.4 | 5.5 | 0 | 0 | 0 | 110.1 | G2022 N2023 R2024 | D2019-G2022 WeakPolarHBondContact OD1-CA 3.44Å; D2019-G2022 PolarHBondContact OD1-N 3.35Å; D2019-N2023 PolarHBondContact OD1-N 2.74Å; D2019-R2024 HydrophobicContact CB-CG 3.95Å; D2019-R2024 WeakPolarHBondContact OD1-CA 2.75Å; D2019-R2024 PolarHBondContact OD1-N 3.01Å | ||
| 2020 | D | 78.3 | Confident | 78.4 | Confident | 37 Ų | 37 | 47 Ų | 47 | 20% | 0.198 | 23% | 0.227 | C | C | . | . | S | Bend | 0 | -23.6 | 0 | -60.6 | -54.9 | 0 | 0 | 0 | 110.8 | E2006 W2013 E2018 G2022 D2026 | E2006-D2020 WeakPolarHBondContact CB-O 3.44Å; E2006-D2020 WeakPolarHBondContact CG-O 2.73Å; W2013-D2020 HydrophobicContact CB-CB 4.49Å; W2013-D2020 WeakPolarHBondContact CB-OD2 3.26Å; W2013-D2020 HydrophobicContact CE3-CB 3.84Å; E2018-D2020 PolarHBondContact O-N 3.23Å; D2020-G2022 VanDerWaalsContact C-N 3.26Å; D2020-D2026 VanDerWaalsContact CB-OD2 3.23Å; D2020-D2026 WeakPolarHBondContact CB-OD2 3.12Å; D2020-D2026 PolarHBondContact N-OD1 3.41Å; D2020-D2026 PolarHBondContact N-OD2 2.5Å | |
| 2021 | C | 80.2 | Confident | 78.1 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -90.7 | -8.5 | -179.5 | -76.3 | 0 | 0 | 0 | 0 | 110.2 | C1996 P2004 R2005 E2006 N2023 F2025 | C1996-C2021 HydrophobicContact CB-CB 3.61Å; C1996-C2021 WeakPolarHBondContact CB-SG 3.41Å; C1996-C2021 WeakPolarHBondContact SG-CA 3.19Å; C1996-C2021 WeakPolarHBondContact SG-CB 3.03Å; C1996-C2021 CovalentContact SG-SG 1.81Å; C1996-C2021 PolarHBondContact SG-SG 3.28Å; P2004-C2021 CarbonylContact C-O 3.58Å; P2004-C2021 WeakPolarHBondContact CA-O 2.88Å; P2004-C2021 HydrophobicContact CB-CB 4.22Å; P2004-C2021 WeakPolarHBondContact CB-O 2.96Å; R2005-C2021 PolarHBondContact N-O 2.68Å; E2006-C2021 PolarHBondContact N-O 2.82Å; C2021-N2023 WeakPolarHBondContact CB-OD1 3.29Å; C2021-N2023 PolarHBondContact O-N 2.73Å; C2021-F2025 HydrophobicContact CB-CB 4.08Å |
| 2022 | G | 79.7 | Confident | 77.8 | Confident | 31 Ų | 31 | 54.6 Ų | 54.6 | 32% | 0.32 | 27% | 0.269 | S | S | . | . | S | Bend | trans | 82 | -16.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D2019 D2020 | D2019-G2022 WeakPolarHBondContact OD1-CA 3.44Å; D2019-G2022 PolarHBondContact OD1-N 3.35Å; D2020-G2022 VanDerWaalsContact C-N 3.26Å |
| 2023 | N | 80.9 | Confident | 77.8 | Confident | 11 Ų | 11 | 53.9 Ų | 53.9 | 6% | 0.059 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -120.9 | 0 | 177.6 | 60.7 | -5.2 | 0 | 0 | 0 | 110.4 | E1997 V1999 I2002 D2019 C2021 F2025 | E1997-N2023 PolarHBondContact O-ND2 2.75Å; V1999-N2023 WeakPolarHBondContact CB-O 3.41Å; V1999-N2023 PolarHBondContact N-ND2 3.28Å; I2002-N2023 HydrophobicContact CB-CB 3.86Å; I2002-N2023 HydrophobicContact CG2-CB 3.6Å; I2002-N2023 WeakPolarHBondContact O-CB 3.46Å; I2002-N2023 PolarHBondContact O-ND2 1.42Å; D2019-N2023 PolarHBondContact OD1-N 2.74Å; C2021-N2023 WeakPolarHBondContact CB-OD1 3.29Å; C2021-N2023 PolarHBondContact O-N 2.73Å; N2023-F2025 PolarHBondContact O-N 2.68Å; N2023-F2025 WeakPolarHBondContact OD1-CB 3.36Å; N2023-F2025 PolarHBondContact OD1-N 2.86Å |
| 2024 | R | 77.5 | Confident | 77.6 | Confident | 178 Ų | 178 | 50.8 Ų | 50.8 | 67% | 0.672 | 26% | 0.256 | S | S | * | . | S | Bend | 0 | 18.5 | 0 | -86.8 | -178.9 | -171.5 | -165.9 | 0.4 | 110.8 | D2019 D2026 E2027 Q2028 | D2019-R2024 HydrophobicContact CB-CG 3.95Å; D2019-R2024 WeakPolarHBondContact OD1-CA 2.75Å; D2019-R2024 PolarHBondContact OD1-N 3.01Å; R2024-D2026 PolarHBondContact O-N 3.01Å; R2024-E2027 PolarHBondContact O-N 2.67Å; R2024-Q2028 WeakPolarHBondContact O-CG 3.49Å | |
| 2025 | F | 83.3 | Confident | 77.2 | Confident | 42 Ų | 42 | 47.7 Ų | 47.7 | 18% | 0.184 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -58.3 | -44.9 | 176.8 | 178.1 | -103.8 | 0 | 0 | 0 | 110.4 | E1997 V1999 Y2009 C2021 N2023 E2027 Q2028 | E1997-F2025 HydrophobicContact CB-CD1 4.41Å; E1997-F2025 HydrophobicContact CB-CD2 3.69Å; E1997-F2025 HydrophobicContact CB-CE1 4.05Å; E1997-F2025 HydrophobicContact CB-CE2 3.25Å; E1997-F2025 HydrophobicContact CB-CG 4.24Å; E1997-F2025 HydrophobicContact CB-CZ 3.46Å; E1997-F2025 VanDerWaalsContact CB-CZ 3.46Å; E1997-F2025 VanDerWaalsContact CD-CZ 3.44Å; E1997-F2025 HydrophobicContact CG-CE1 4.05Å; E1997-F2025 HydrophobicContact CG-CE2 3.87Å; E1997-F2025 HydrophobicContact CG-CZ 3.52Å; E1997-F2025 WeakPolarHBondContact OE2-CE2 3.28Å; E1997-F2025 WeakPolarHBondContact OE2-CZ 3.46Å; V1999-F2025 HydrophobicContact CB-CB 4.41Å; V1999-F2025 HydrophobicContact CB-CD2 4.44Å; V1999-F2025 HydrophobicContact CG2-CB 3.13Å; V1999-F2025 HydrophobicContact CG2-CD2 2.89Å; V1999-F2025 HydrophobicContact CG2-CE2 4.05Å; V1999-F2025 HydrophobicContact CG2-CG 3.44Å; V1999-F2025 VanDerWaalsContact CG2-CG 3.44Å; Y2009-F2025 HydrophobicContact CE1-CD1 4.15Å; Y2009-F2025 HydrophobicContact CE1-CE1 4.09Å; C2021-F2025 HydrophobicContact CB-CB 4.08Å; N2023-F2025 PolarHBondContact O-N 2.68Å; N2023-F2025 WeakPolarHBondContact OD1-CB 3.36Å; N2023-F2025 PolarHBondContact OD1-N 2.86Å; F2025-E2027 PolarHBondContact O-N 2.68Å; F2025-Q2028 PolarHBondContact O-N 2.95Å |
| 2026 | D | 80.3 | Confident | 76.6 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -72.9 | 0.6 | -174.9 | 63.8 | -42.8 | 0 | 0 | 0 | 111 | Y2009 C2015 D2020 R2024 | Y2009-D2026 HydrophobicContact CD1-CB 4.2Å; Y2009-D2026 HydrophobicContact CD2-CB 3.72Å; Y2009-D2026 HydrophobicContact CE1-CB 4.41Å; Y2009-D2026 HydrophobicContact CE2-CB 3.96Å; Y2009-D2026 HydrophobicContact CG-CB 3.86Å; C2015-D2026 PolarHBondContact N-O 2.44Å; D2020-D2026 VanDerWaalsContact CB-OD2 3.23Å; D2020-D2026 WeakPolarHBondContact CB-OD2 3.12Å; D2020-D2026 PolarHBondContact N-OD1 3.41Å; D2020-D2026 PolarHBondContact N-OD2 2.5Å; R2024-D2026 PolarHBondContact O-N 3.01Å |
| 2027 | E | 80.8 | Confident | 75.5 | Confident | 33 Ų | 33 | 48.5 Ų | 48.5 | 15% | 0.154 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -118.1 | 20.7 | 179.9 | -59.6 | -71 | 160.8 | 0 | 0 | 110.3 | C2015 D2016 G2017 E2018 R2024 F2025 | C2015-E2027 WeakPolarHBondContact CA-OE2 3.12Å; D2016-E2027 PolarHBondContact N-OE1 2.59Å; D2016-E2027 PolarHBondContact N-OE2 2.51Å; G2017-E2027 VanDerWaalsContact N-CD 3.29Å; G2017-E2027 PolarHBondContact N-OE1 2.61Å; G2017-E2027 VanDerWaalsContact N-OE1 3.08Å; G2017-E2027 PolarHBondContact N-OE2 3.25Å; E2018-E2027 PolarHBondContact N-OE1 3.37Å; E2018-E2027 WeakPolarHBondContact O-CG 3.27Å; R2024-E2027 PolarHBondContact O-N 2.67Å; F2025-E2027 PolarHBondContact O-N 2.68Å |
| 2028 | Q | 78.3 | Confident | 74.6 | Confident | 86 Ų | 86 | 51.9 Ų | 51.9 | 40% | 0.402 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -103.4 | 150.6 | 176.5 | -75.5 | 178.6 | 29.7 | 0 | 0 | 109.4 | R2024 F2025 C2030 | R2024-Q2028 WeakPolarHBondContact O-CG 3.49Å; F2025-Q2028 PolarHBondContact O-N 2.95Å; Q2028-C2030 PolarHBondContact O-N 3.35Å |
| 2029 | N | 73.3 | Confident | 73.5 | Confident | 127 Ų | 127 | 58 Ų | 58 | 68% | 0.679 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 60.7 | 49.4 | 176.4 | -87.1 | -5.4 | 0 | 0 | 0 | 111.1 | L2031 | N2029-L2031 VanDerWaalsContact C-N 3.25Å; N2029-L2031 PolarHBondContact O-N 3.12Å |
| 2030 | C | 73.6 | Confident | 72.6 | Confident | 11 Ų | 11 | 63.2 Ų | 63.2 | 7% | 0.074 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -81.5 | -11.3 | -173.3 | -68.8 | 0 | 0 | 0 | 0 | 110.5 | C2015 Q2028 N2032 D2033 A2043 T2044 | C2015-C2030 WeakPolarHBondContact CA-SG 3.48Å; C2015-C2030 HydrophobicContact CB-CB 3.62Å; C2015-C2030 WeakPolarHBondContact CB-SG 3.32Å; C2015-C2030 WeakPolarHBondContact SG-CA 3.4Å; C2015-C2030 WeakPolarHBondContact SG-CB 3.24Å; C2015-C2030 CovalentContact SG-SG 2.17Å; C2015-C2030 PolarHBondContact SG-SG 3.33Å; Q2028-C2030 PolarHBondContact O-N 3.35Å; C2030-N2032 PolarHBondContact O-N 3.18Å; C2030-D2033 WeakPolarHBondContact O-CB 3.22Å; C2030-D2033 PolarHBondContact O-N 3.16Å; C2030-D2033 VanDerWaalsContact O-N 3.13Å; C2030-A2043 HydrophobicContact CB-CB 3.9Å; C2030-T2044 HydrophobicContact CB-CG2 4.16Å; C2030-T2044 WeakPolarHBondContact SG-CG2 3.39Å |
| 2031 | L | 69.8 | Low | 71.9 | Confident | 113 Ų | 113 | 62.1 Ų | 62.1 | 59% | 0.592 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -73 | -13.8 | -179 | -73.2 | 166 | 0 | 0 | 0 | 110.8 | N2029 D2033 | N2029-L2031 VanDerWaalsContact C-N 3.25Å; N2029-L2031 PolarHBondContact O-N 3.12Å; L2031-D2033 VanDerWaalsContact C-N 3.34Å |
| 2032 | N | 67 | Low | 71 | Confident | 130 Ų | 130 | 64.2 Ų | 64.2 | 70% | 0.695 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -101.1 | 11.1 | 178.2 | -79.3 | -14 | 0 | 0 | 0 | 110.4 | C2030 A2132 | C2030-N2032 PolarHBondContact O-N 3.18Å; N2032-A2132 WeakPolarHBondContact O-CB 2.92Å |
| 2033 | D | 73.9 | Confident | 70.2 | Confident | 7 Ų | 7 | 64.3 Ų | 64.3 | 4% | 0.037 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -84.2 | 137.1 | -178.3 | -164.2 | -65.6 | 0 | 0 | 0 | 109.4 | C2030 L2031 R2035 V2036 | C2030-D2033 WeakPolarHBondContact O-CB 3.22Å; C2030-D2033 PolarHBondContact O-N 3.16Å; C2030-D2033 VanDerWaalsContact O-N 3.13Å; L2031-D2033 VanDerWaalsContact C-N 3.34Å; D2033-R2035 PolarHBondContact O-N 3.11Å; D2033-R2035 WeakPolarHBondContact OD1-CB 2.98Å; D2033-R2035 IonicContact OD1-CZ 3.83Å; D2033-R2035 PolarHBondContact OD1-N 3.15Å; D2033-R2035 IonicContact OD1-NE 3.5Å; D2033-R2035 PolarHBondContact OD1-NE 3.46Å; D2033-R2035 IonicContact OD1-NH2 1.36Å; D2033-R2035 IonicContact OD2-CZ 3.78Å; D2033-R2035 IonicContact OD2-NE 3.92Å; D2033-R2035 IonicContact OD2-NH2 3.44Å; D2033-R2035 PolarHBondContact OD2-NH2 3.06Å; D2033-R2035 VanDerWaalsContact OD2-NH2 3.12Å; D2033-V2036 HydrophobicContact CB-CG2 4.49Å; D2033-V2036 PolarHBondContact O-N 3.38Å |
| 2034 | T | 73.1 | Confident | 69.8 | Low | 19 Ų | 19 | 65.1 Ų | 65.1 | 12% | 0.117 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 0 | -175 | 52.3 | 0 | 0 | 0 | 0 | 110.7 | V2036 M2112 I2113 A2132 S2142 | T2034-V2036 VanDerWaalsContact C-N 3.32Å; T2034-M2112 WeakPolarHBondContact OG1-CA 3.44Å; T2034-I2113 HydrophobicContact CG2-CB 4.38Å; T2034-I2113 PolarHBondContact OG1-N 3.27Å; T2034-A2132 HydrophobicContact CG2-CB 4.07Å; T2034-S2142 WeakPolarHBondContact O-CB 3.29Å; T2034-S2142 PolarHBondContact O-OG 3.26Å |
| 2035 | R | 72.5 | Confident | 69.9 | Low | 21 Ų | 21 | 60 Ų | 60 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -72.1 | 175.1 | -70.8 | -174.5 | 0 | 110.8 | H2012 R2014 D2033 P2037 P2110 M2112 | H2012-R2035 PolarHBondContact O-NH1 3.21Å; R2014-R2035 PolarHBondContact O-NH1 2.78Å; R2014-R2035 CovalentContact O-NH2 1.4Å; R2014-R2035 PolarHBondContact O-NH2 3.06Å; D2033-R2035 PolarHBondContact O-N 3.11Å; D2033-R2035 WeakPolarHBondContact OD1-CB 2.98Å; D2033-R2035 IonicContact OD1-CZ 3.83Å; D2033-R2035 PolarHBondContact OD1-N 3.15Å; D2033-R2035 IonicContact OD1-NE 3.5Å; D2033-R2035 PolarHBondContact OD1-NE 3.46Å; D2033-R2035 IonicContact OD1-NH2 1.36Å; D2033-R2035 IonicContact OD2-CZ 3.78Å; D2033-R2035 IonicContact OD2-NE 3.92Å; D2033-R2035 IonicContact OD2-NH2 3.44Å; D2033-R2035 PolarHBondContact OD2-NH2 3.06Å; D2033-R2035 VanDerWaalsContact OD2-NH2 3.12Å; R2035-P2037 WeakPolarHBondContact O-CD 2.91Å; R2035-P2110 HydrophobicContact CB-CB 4.3Å; R2035-P2110 WeakPolarHBondContact CD-O 3.37Å; R2035-P2110 HydrophobicContact CG-CB 4.45Å; R2035-P2110 WeakPolarHBondContact CG-O 3.44Å; R2035-M2112 VanDerWaalsContact CZ-CE 3.45Å; R2035-M2112 VanDerWaalsContact NH2-CE 3.3Å | |
| 2036 | V | 67.1 | Low | 69.6 | Low | 6 Ų | 6 | 59.9 Ų | 59.9 | 4% | 0.036 | 32% | 0.315 | C | S | . | . | 0 | 78.9 | 0 | -173.3 | 0 | 0 | 0 | 0 | 108 | D2033 T2034 N2038 C2041 | D2033-V2036 HydrophobicContact CB-CG2 4.49Å; D2033-V2036 PolarHBondContact O-N 3.38Å; T2034-V2036 VanDerWaalsContact C-N 3.32Å; V2036-N2038 WeakPolarHBondContact CG1-O 3.04Å; V2036-N2038 PolarHBondContact O-N 3.17Å; V2036-C2041 HydrophobicContact CG1-CB 4.18Å | |||
| 2037 | P | 53.5 | Low | 69.5 | Low | 21 Ų | 21 | 67 Ų | 67 | 14% | 0.136 | 34% | 0.342 | C | S | . | . | trans | -74.2 | -17.5 | -172 | 9.1 | -9 | 0 | 0 | 0 | 111.8 | R2035 E2138 | R2035-P2037 WeakPolarHBondContact O-CD 2.91Å; P2037-E2138 WeakPolarHBondContact CG-O 3.16Å | ||
| 2038 | N | 58.9 | Low | 69.3 | Low | 90 Ų | 90 | 65.5 Ų | 65.5 | 48% | 0.481 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -140.5 | 0 | -179.5 | -157.2 | -4.6 | 0 | 0 | 0 | 110 | V2036 E2040 C2041 | V2036-N2038 WeakPolarHBondContact CG1-O 3.04Å; V2036-N2038 PolarHBondContact O-N 3.17Å; N2038-E2040 PolarHBondContact O-N 3.38Å; N2038-C2041 WeakPolarHBondContact O-CB 2.81Å; N2038-C2041 PolarHBondContact O-N 2.77Å |
| 2039 | K | 60.1 | Low | 69 | Low | 188 Ų | 188 | 64.6 Ų | 64.6 | 82% | 0.817 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -85.1 | -173.8 | -176.7 | -178.3 | 0 | 111.3 | |||
| 2040 | E | 61.8 | Low | 69 | Low | 176 Ų | 176 | 62.7 Ų | 62.7 | 82% | 0.822 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | -14.6 | 0 | -75.1 | -170.8 | 171.7 | 0 | 0 | 110.7 | N2038 | N2038-E2040 PolarHBondContact O-N 3.38Š| |
| 2041 | C | 63.4 | Low | 68.6 | Low | 14 Ų | 14 | 63.3 Ų | 63.3 | 10% | 0.095 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -88.9 | 0 | 178.2 | -60.2 | 0 | 0 | 0 | 0 | 110.8 | V2036 N2038 A2043 C2139 | V2036-C2041 HydrophobicContact CG1-CB 4.18Å; N2038-C2041 WeakPolarHBondContact O-CB 2.81Å; N2038-C2041 PolarHBondContact O-N 2.77Å; C2041-A2043 PolarHBondContact O-N 3.39Å; C2041-C2139 HydrophobicContact CB-CB 4.19Å; C2041-C2139 WeakPolarHBondContact CB-SG 3.37Å; C2041-C2139 WeakPolarHBondContact SG-CA 3.44Å; C2041-C2139 WeakPolarHBondContact SG-CB 3.42Å; C2041-C2139 CovalentContact SG-SG 1.88Å; C2041-C2139 PolarHBondContact SG-SG 3.22Å |
| 2042 | G | 61.9 | Low | 68.2 | Low | 43 Ų | 43 | 61.3 Ų | 61.3 | 44% | 0.443 | 34% | 0.341 | S | S | . | . | 0 | 133.6 | 0 | 0 | 0 | 0 | 0 | 0 | 112.2 | F2058 | G2042-F2058 WeakPolarHBondContact O-CZ 3.43Š| |||
| 2043 | A | 63.2 | Low | 68.5 | Low | 34 Ų | 34 | 64.9 Ų | 64.9 | 28% | 0.281 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -82.5 | -28.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | C2030 C2041 | C2030-A2043 HydrophobicContact CB-CB 3.9Å; C2041-A2043 PolarHBondContact O-N 3.39Å |
| 2044 | T | 72.8 | Confident | 68.5 | Low | 28 Ų | 28 | 67.6 Ų | 67.6 | 17% | 0.172 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -144.2 | 0 | -175.2 | 50.9 | 0 | 0 | 0 | 0 | 109.5 | C2015 G2017 C2030 F2058 | C2015-T2044 HydrophobicContact CB-CG2 4.33Å; G2017-T2044 WeakPolarHBondContact CA-O 3.38Å; C2030-T2044 HydrophobicContact CB-CG2 4.16Å; C2030-T2044 WeakPolarHBondContact SG-CG2 3.39Å; T2044-F2058 PolarHBondContact O-N 2.93Å |
| 2045 | H | 79.3 | Confident | 68.7 | Low | 70 Ų | 70 | 72.6 Ų | 72.6 | 32% | 0.324 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 143.3 | 0 | -67.8 | 79.5 | 0 | 0 | 0 | 109.2 | Y2055 I2056 F2058 | H2045-Y2055 HydrophobicContact CB-CD1 4.32Å; H2045-I2056 CarbonylContact C-O 3.47Å; H2045-I2056 VanDerWaalsContact CA-O 3.28Å; H2045-I2056 WeakPolarHBondContact CA-O 3.19Å; H2045-F2058 WeakPolarHBondContact O-CE1 3.24Å | |
| 2046 | F | 76.7 | Confident | 69 | Low | 39 Ų | 39 | 71.9 Ų | 71.9 | 17% | 0.171 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 120.6 | 171.8 | 175.2 | -97.7 | 0 | 0 | 0 | 110.3 | Y2055 I2056 F2058 W2061 E2072 D2073 | F2046-Y2055 WeakPolarHBondContact O-CA 3.26Å; F2046-I2056 PolarHBondContact N-O 3.01Å; F2046-I2056 PolarHBondContact O-N 2.64Å; F2046-F2058 HydrophobicContact CB-CD1 4.27Å; F2046-F2058 HydrophobicContact CB-CE1 4.28Å; F2046-W2061 HydrophobicContact CB-CD2 4.3Å; F2046-W2061 HydrophobicContact CB-CE3 4.47Å; F2046-W2061 HydrophobicContact CB-CG 4.32Å; F2046-W2061 AromaticContact CD2-CD2 3.72Å; F2046-W2061 HydrophobicContact CD2-CD2 3.72Å; F2046-W2061 AromaticContact CD2-CE2 3.46Å; F2046-W2061 VanDerWaalsContact CD2-CE2 3.46Å; F2046-W2061 HydrophobicContact CD2-CE3 4.19Å; F2046-W2061 HydrophobicContact CD2-CG 4.17Å; F2046-W2061 HydrophobicContact CD2-CH2 4.14Å; F2046-W2061 AromaticContact CD2-CZ2 3.7Å; F2046-W2061 HydrophobicContact CD2-CZ2 3.7Å; F2046-W2061 HydrophobicContact CD2-CZ3 4.36Å; F2046-W2061 AromaticContact CD2-NE1 3.76Å; F2046-W2061 HydrophobicContact CE2-CD2 4.41Å; F2046-W2061 AromaticContact CE2-CE2 3.69Å; F2046-W2061 HydrophobicContact CE2-CH2 4.49Å; F2046-W2061 AromaticContact CE2-CZ2 3.75Å; F2046-W2061 HydrophobicContact CE2-CZ2 3.75Å; F2046-W2061 AromaticContact CE2-NE1 3.71Å; F2046-W2061 HydrophobicContact CG-CD2 4.26Å; F2046-W2061 HydrophobicContact CG-CG 4.32Å; F2046-E2072 HydrophobicContact CE1-CG 4.18Å; F2046-D2073 HydrophobicContact CD1-CB 3.76Å; F2046-D2073 VanDerWaalsContact CE1-CA 3.4Å; F2046-D2073 HydrophobicContact CE1-CB 3.67Å |
| 2047 | R | 77.9 | Confident | 69.7 | Low | 152 Ų | 152 | 72.7 Ų | 72.7 | 57% | 0.574 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 0 | -178.8 | -177.2 | -178.9 | -152.3 | -168.7 | 1.6 | 110.1 | G2049 P2052 Y2055 | R2047-G2049 PolarHBondContact O-N 2.8Å; R2047-P2052 PolarHBondContact NE-O 2.85Å; R2047-Y2055 HydrophobicContact CB-CD1 4.13Å; R2047-Y2055 HydrophobicContact CB-CE1 3.99Å; R2047-Y2055 HydrophobicContact CG-CD1 4.33Å; R2047-Y2055 HydrophobicContact CG-CE1 3.87Å |
| 2048 | C | 78.2 | Confident | 70.9 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | 0 | 118.4 | 0 | -66.4 | 0 | 0 | 0 | 0 | 111.2 | A2051 Q2054 I2056 C2068 E2072 | C2048-A2051 CarbonylContact O-C 3.57Å; C2048-Q2054 HydrophobicContact CB-CB 3.84Å; C2048-Q2054 HydrophobicContact CB-CG 4.29Å; C2048-Q2054 VanDerWaalsContact CB-O 3.29Å; C2048-Q2054 WeakPolarHBondContact CB-O 3.46Å; C2048-Q2054 PolarHBondContact N-O 2.84Å; C2048-I2056 WeakPolarHBondContact SG-CD1 3.4Å; C2048-I2056 WeakPolarHBondContact SG-CG1 3.1Å; C2048-C2068 HydrophobicContact CB-CB 3.8Å; C2048-C2068 WeakPolarHBondContact CB-SG 3.08Å; C2048-C2068 WeakPolarHBondContact SG-CB 3.26Å; C2048-C2068 CovalentContact SG-SG 1.81Å; C2048-C2068 PolarHBondContact SG-SG 2.89Å; C2048-E2072 WeakPolarHBondContact CB-OE1 3.48Å | |
| 2049 | G | 71 | Confident | 71.9 | Confident | 67 Ų | 67 | 69.5 Ų | 69.5 | 69% | 0.691 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -58 | 0 | -177 | 0 | 0 | 0 | 0 | 0 | 111.8 | R2047 A2051 E2072 | R2047-G2049 PolarHBondContact O-N 2.8Å; G2049-A2051 PolarHBondContact O-N 1.52Å; G2049-E2072 PolarHBondContact N-OE1 2.85Å |
| 2050 | T | 72.8 | Confident | 73 | Confident | 88 Ų | 88 | 64.9 Ų | 64.9 | 54% | 0.54 | 34% | 0.342 | S | S | . | . | S | Bend | 0 | -14.5 | 0 | 46.6 | 0 | 0 | 0 | 0 | 111.2 | G2070 E2072 | T2050-G2070 PolarHBondContact OG1-N 3Å; T2050-G2070 VanDerWaalsContact OG1-N 3.16Å; T2050-E2072 WeakPolarHBondContact CB-OE1 3.29Å; T2050-E2072 WeakPolarHBondContact CG2-OE2 3.45Å; T2050-E2072 PolarHBondContact N-OE1 2.82Å; T2050-E2072 PolarHBondContact OG1-OE1 3.1Å; T2050-E2072 PolarHBondContact OG1-OE2 3.2Å; T2050-E2072 VanDerWaalsContact OG1-OE2 3.05Å | |
| 2051 | A | 66.6 | Low | 74 | Confident | 24 Ų | 24 | 58 Ų | 58 | 20% | 0.198 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -138.6 | 89.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | C2048 G2049 Y2053 Q2054 | C2048-A2051 CarbonylContact O-C 3.57Å; G2049-A2051 PolarHBondContact O-N 1.52Å; A2051-Y2053 PolarHBondContact O-N 2.12Å; A2051-Q2054 HydrophobicContact CB-CB 3.73Å; A2051-Q2054 PolarHBondContact O-N 2.61Å |
| 2052 | P | 60.4 | Low | 74.8 | Confident | 70 Ų | 70 | 58.2 Ų | 58.2 | 46% | 0.455 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | 0 | -171.5 | 3.9 | -4.1 | 0 | 0 | 0 | 111.8 | R2047 | R2047-P2052 PolarHBondContact NE-O 2.85Š|
| 2053 | Y | 72.9 | Confident | 75.5 | Confident | 205 Ų | 205 | 58.2 Ų | 58.2 | 80% | 0.804 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 12 | 0 | -62.2 | -74.6 | 0 | 0 | 0 | 109.9 | A2051 | A2051-Y2053 PolarHBondContact O-N 2.12Š| |
| 2054 | Q | 75.1 | Confident | 76.1 | Confident | 64 Ų | 64 | 59.9 Ų | 59.9 | 30% | 0.299 | 32% | 0.321 | S | S | . | . | trans | -100.2 | 0 | 177.4 | -170.9 | 177.2 | 10.1 | 0 | 0 | 109.5 | C2048 A2051 D2067 | C2048-Q2054 HydrophobicContact CB-CB 3.84Å; C2048-Q2054 HydrophobicContact CB-CG 4.29Å; C2048-Q2054 VanDerWaalsContact CB-O 3.29Å; C2048-Q2054 WeakPolarHBondContact CB-O 3.46Å; C2048-Q2054 PolarHBondContact N-O 2.84Å; A2051-Q2054 HydrophobicContact CB-CB 3.73Å; A2051-Q2054 PolarHBondContact O-N 2.61Å; Q2054-D2067 PolarHBondContact NE2-O 2.7Å | ||
| 2055 | Y | 77.1 | Confident | 76.2 | Confident | 124 Ų | 124 | 59.8 Ų | 59.8 | 49% | 0.486 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 127.6 | 0 | -63.2 | -92.9 | 0 | 0 | 0 | 109.4 | H2045 F2046 R2047 | H2045-Y2055 HydrophobicContact CB-CD1 4.32Å; F2046-Y2055 WeakPolarHBondContact O-CA 3.26Å; R2047-Y2055 HydrophobicContact CB-CD1 4.13Å; R2047-Y2055 HydrophobicContact CB-CE1 3.99Å; R2047-Y2055 HydrophobicContact CG-CD1 4.33Å; R2047-Y2055 HydrophobicContact CG-CE1 3.87Å | |
| 2056 | I | 77.9 | Confident | 76.3 | Confident | 7 Ų | 7 | 66.8 Ų | 66.8 | 4% | 0.036 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 134.1 | 177.7 | -57.4 | 172.1 | 0 | 0 | 0 | 109.1 | H2045 F2046 C2048 F2058 Y2060 D2067 C2068 D2073 | H2045-I2056 CarbonylContact C-O 3.47Å; H2045-I2056 VanDerWaalsContact CA-O 3.28Å; H2045-I2056 WeakPolarHBondContact CA-O 3.19Å; F2046-I2056 PolarHBondContact N-O 3.01Å; F2046-I2056 PolarHBondContact O-N 2.64Å; C2048-I2056 WeakPolarHBondContact SG-CD1 3.4Å; C2048-I2056 WeakPolarHBondContact SG-CG1 3.1Å; I2056-F2058 PolarHBondContact O-N 3.36Å; I2056-Y2060 HydrophobicContact CG2-CD2 4.06Å; I2056-Y2060 HydrophobicContact CG2-CG 4.02Å; I2056-D2067 HydrophobicContact CD1-CB 3.36Å; I2056-D2067 HydrophobicContact CG1-CB 4.04Å; I2056-D2067 HydrophobicContact CG2-CB 3.83Å; I2056-C2068 HydrophobicContact CD1-CB 3.71Å; I2056-C2068 WeakPolarHBondContact CD1-SG 3.47Å; I2056-D2073 HydrophobicContact CD1-CB 3.63Å |
| 2057 | P | 81.7 | Confident | 76.5 | Confident | 22 Ų | 22 | 67.7 Ų | 67.7 | 14% | 0.143 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 140 | 176.1 | -25.2 | 32.9 | 0 | 0 | 0 | 111.9 | D2016 A2059 Y2060 W2061 | D2016-P2057 CarbonylContact O-C 3.56Å; P2057-A2059 PolarHBondContact O-N 3.38Å; P2057-Y2060 HydrophobicContact CB-CD2 3.57Å; P2057-Y2060 HydrophobicContact CB-CE2 3.99Å; P2057-Y2060 VanDerWaalsContact CD-CD2 3.47Å; P2057-Y2060 HydrophobicContact CG-CD2 3.46Å; P2057-Y2060 VanDerWaalsContact CG-CD2 3.46Å; P2057-Y2060 HydrophobicContact CG-CE2 3.65Å; P2057-Y2060 WeakPolarHBondContact O-CA 3.43Å; P2057-Y2060 WeakPolarHBondContact O-CB 3.23Å; P2057-Y2060 PolarHBondContact O-N 2.79Å; P2057-W2061 PolarHBondContact O-N 2.98Å |
| 2058 | F | 79.8 | Confident | 76.5 | Confident | 19 Ų | 19 | 60.6 Ų | 60.6 | 8% | 0.083 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -49.4 | -28.7 | 179.9 | -84.8 | -15.9 | 0 | 0 | 0 | 111.3 | D2016 G2042 T2044 H2045 F2046 I2056 Y2060 W2061 | D2016-F2058 HydrophobicContact CB-CB 4.43Å; D2016-F2058 PolarHBondContact O-N 3.18Å; G2042-F2058 WeakPolarHBondContact O-CZ 3.43Å; T2044-F2058 PolarHBondContact O-N 2.93Å; H2045-F2058 WeakPolarHBondContact O-CE1 3.24Å; F2046-F2058 HydrophobicContact CB-CD1 4.27Å; F2046-F2058 HydrophobicContact CB-CE1 4.28Å; I2056-F2058 PolarHBondContact O-N 3.36Å; F2058-Y2060 PolarHBondContact O-N 3.43Å; F2058-W2061 HydrophobicContact CD1-CD2 4.4Å; F2058-W2061 AromaticContact CD1-CE3 3.38Å; F2058-W2061 HydrophobicContact CD1-CE3 3.38Å; F2058-W2061 AromaticContact CD1-CZ3 3.98Å; F2058-W2061 HydrophobicContact CD1-CZ3 3.98Å; F2058-W2061 AromaticContact CE1-CE3 3.46Å; F2058-W2061 HydrophobicContact CE1-CE3 3.46Å; F2058-W2061 VanDerWaalsContact CE1-CE3 3.46Å; F2058-W2061 AromaticContact CE1-CZ3 3.55Å; F2058-W2061 HydrophobicContact CE1-CZ3 3.55Å; F2058-W2061 HydrophobicContact CG-CE3 4.29Å; F2058-W2061 HydrophobicContact CZ-CE3 4.41Å; F2058-W2061 HydrophobicContact CZ-CZ3 4.17Å; F2058-W2061 WeakPolarHBondContact O-CB 3.17Å; F2058-W2061 PolarHBondContact O-N 3.13Å |
| 2059 | A | 78.7 | Confident | 76.4 | Confident | 26 Ų | 26 | 71.9 Ų | 71.9 | 22% | 0.215 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -60.5 | -21.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111 | D2016 E2018 P2057 | D2016-A2059 HydrophobicContact CB-CB 4.22Å; D2016-A2059 PolarHBondContact O-N 2.97Å; E2018-A2059 HydrophobicContact CG-CB 3.68Å; P2057-A2059 PolarHBondContact O-N 3.38Å |
| 2060 | Y | 84.4 | Confident | 76.5 | Confident | 91 Ų | 91 | 70.6 Ų | 70.6 | 36% | 0.357 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -107.4 | 6.1 | -176 | -65.6 | -65.9 | 0 | 0 | 0 | 109.5 | E2018 I2056 P2057 F2058 C2062 D2063 D2067 | E2018-Y2060 WeakPolarHBondContact OE1-CE2 3.23Å; E2018-Y2060 PolarHBondContact OE1-OH 3.29Å; I2056-Y2060 HydrophobicContact CG2-CD2 4.06Å; I2056-Y2060 HydrophobicContact CG2-CG 4.02Å; P2057-Y2060 HydrophobicContact CB-CD2 3.57Å; P2057-Y2060 HydrophobicContact CB-CE2 3.99Å; P2057-Y2060 VanDerWaalsContact CD-CD2 3.47Å; P2057-Y2060 HydrophobicContact CG-CD2 3.46Å; P2057-Y2060 VanDerWaalsContact CG-CD2 3.46Å; P2057-Y2060 HydrophobicContact CG-CE2 3.65Å; P2057-Y2060 WeakPolarHBondContact O-CA 3.43Å; P2057-Y2060 WeakPolarHBondContact O-CB 3.23Å; P2057-Y2060 PolarHBondContact O-N 2.79Å; F2058-Y2060 PolarHBondContact O-N 3.43Å; Y2060-C2062 PolarHBondContact O-N 3.13Å; Y2060-D2063 WeakPolarHBondContact CD1-OD2 3.44Å; Y2060-D2067 WeakPolarHBondContact CB-OD2 3.2Å; Y2060-D2067 VanDerWaalsContact O-OD2 3.06Å |
| 2061 | W | 81.9 | Confident | 76.7 | Confident | 31 Ų | 31 | 66.9 Ų | 66.9 | 12% | 0.117 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 115.2 | 175.3 | -168 | 3.1 | 0 | 0 | 0 | 109.7 | F2046 P2057 F2058 D2063 V2108 P2109 P2110 | F2046-W2061 HydrophobicContact CB-CD2 4.3Å; F2046-W2061 HydrophobicContact CB-CE3 4.47Å; F2046-W2061 HydrophobicContact CB-CG 4.32Å; F2046-W2061 AromaticContact CD2-CD2 3.72Å; F2046-W2061 HydrophobicContact CD2-CD2 3.72Å; F2046-W2061 AromaticContact CD2-CE2 3.46Å; F2046-W2061 VanDerWaalsContact CD2-CE2 3.46Å; F2046-W2061 HydrophobicContact CD2-CE3 4.19Å; F2046-W2061 HydrophobicContact CD2-CG 4.17Å; F2046-W2061 HydrophobicContact CD2-CH2 4.14Å; F2046-W2061 AromaticContact CD2-CZ2 3.7Å; F2046-W2061 HydrophobicContact CD2-CZ2 3.7Å; F2046-W2061 HydrophobicContact CD2-CZ3 4.36Å; F2046-W2061 AromaticContact CD2-NE1 3.76Å; F2046-W2061 HydrophobicContact CE2-CD2 4.41Å; F2046-W2061 AromaticContact CE2-CE2 3.69Å; F2046-W2061 HydrophobicContact CE2-CH2 4.49Å; F2046-W2061 AromaticContact CE2-CZ2 3.75Å; F2046-W2061 HydrophobicContact CE2-CZ2 3.75Å; F2046-W2061 AromaticContact CE2-NE1 3.71Å; F2046-W2061 HydrophobicContact CG-CD2 4.26Å; F2046-W2061 HydrophobicContact CG-CG 4.32Å; P2057-W2061 PolarHBondContact O-N 2.98Å; F2058-W2061 HydrophobicContact CD1-CD2 4.4Å; F2058-W2061 AromaticContact CD1-CE3 3.38Å; F2058-W2061 HydrophobicContact CD1-CE3 3.38Å; F2058-W2061 AromaticContact CD1-CZ3 3.98Å; F2058-W2061 HydrophobicContact CD1-CZ3 3.98Å; F2058-W2061 AromaticContact CE1-CE3 3.46Å; F2058-W2061 HydrophobicContact CE1-CE3 3.46Å; F2058-W2061 VanDerWaalsContact CE1-CE3 3.46Å; F2058-W2061 AromaticContact CE1-CZ3 3.55Å; F2058-W2061 HydrophobicContact CE1-CZ3 3.55Å; F2058-W2061 HydrophobicContact CG-CE3 4.29Å; F2058-W2061 HydrophobicContact CZ-CE3 4.41Å; F2058-W2061 HydrophobicContact CZ-CZ3 4.17Å; F2058-W2061 WeakPolarHBondContact O-CB 3.17Å; F2058-W2061 PolarHBondContact O-N 3.13Å; W2061-D2063 PolarHBondContact O-N 3.34Å; W2061-V2108 HydrophobicContact CH2-CG1 4.15Å; W2061-V2108 HydrophobicContact CZ2-CG1 3.34Å; W2061-P2109 HydrophobicContact CB-CB 4.4Å; W2061-P2109 HydrophobicContact CB-CG 4.35Å; W2061-P2109 HydrophobicContact CD2-CB 3.76Å; W2061-P2109 HydrophobicContact CD2-CG 4.42Å; W2061-P2109 HydrophobicContact CE3-CB 3.39Å; W2061-P2109 HydrophobicContact CE3-CG 4.44Å; W2061-P2109 HydrophobicContact CG-CB 4.22Å; W2061-P2109 HydrophobicContact CG-CG 4.41Å; W2061-P2109 HydrophobicContact CZ3-CB 3.89Å; W2061-P2110 HydrophobicContact CZ3-CG 4.36Å |
| 2062 | C | 81.2 | Confident | 77.3 | Confident | 19 Ų | 19 | 67.6 Ų | 67.6 | 13% | 0.128 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 44.1 | -179.2 | -70 | 0 | 0 | 0 | 0 | 110.5 | Y2060 G2064 D2073 E2074 C2077 V2108 | Y2060-C2062 PolarHBondContact O-N 3.13Å; C2062-G2064 VanDerWaalsContact C-N 3.35Å; C2062-D2073 PolarHBondContact N-O 3.36Å; C2062-E2074 VanDerWaalsContact CA-OE2 3.28Å; C2062-E2074 WeakPolarHBondContact CA-OE2 3.24Å; C2062-C2077 WeakPolarHBondContact CA-SG 3.47Å; C2062-C2077 HydrophobicContact CB-CB 3.84Å; C2062-C2077 WeakPolarHBondContact CB-SG 3.48Å; C2062-C2077 WeakPolarHBondContact SG-CA 3.25Å; C2062-C2077 WeakPolarHBondContact SG-CB 3.5Å; C2062-C2077 CovalentContact SG-SG 2.1Å; C2062-C2077 PolarHBondContact SG-SG 2.67Å; C2062-V2108 PolarHBondContact SG-O 2.88Å |
| 2063 | D | 75 | Confident | 78.5 | Confident | 42 Ų | 42 | 64.3 Ų | 64.3 | 23% | 0.225 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -103.2 | 9.4 | -179.8 | 63.6 | -20.9 | 0 | 0 | 0 | 110.2 | Y2060 W2061 G2065 E2074 K2167 | Y2060-D2063 WeakPolarHBondContact CD1-OD2 3.44Å; W2061-D2063 PolarHBondContact O-N 3.34Å; D2063-G2065 VanDerWaalsContact C-N 3.3Å; D2063-G2065 PolarHBondContact O-N 2.97Å; D2063-G2065 PolarHBondContact OD1-N 2.99Å; D2063-E2074 PolarHBondContact N-OE1 3.2Å; D2063-E2074 PolarHBondContact N-OE2 3.49Å; D2063-K2167 PolarHBondContact O-NZ 2.58Å |
| 2064 | G | 76.6 | Confident | 79.1 | Confident | 70 Ų | 70 | 56.7 Ų | 56.7 | 72% | 0.722 | 29% | 0.288 | S | S | * | . | S | Bend | trans | 92.8 | 0 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | C2062 E2074 | C2062-G2064 VanDerWaalsContact C-N 3.35Å; G2064-E2074 PolarHBondContact N-OE1 2.22Å; G2064-E2074 PolarHBondContact N-OE2 2.75Å |
| 2065 | G | 75.3 | Confident | 79.1 | Confident | 26 Ų | 26 | 56.3 Ų | 56.3 | 27% | 0.268 | 30% | 0.296 | S | S | . | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.5 | D2063 D2067 E2074 | D2063-G2065 VanDerWaalsContact C-N 3.3Å; D2063-G2065 PolarHBondContact O-N 2.97Å; D2063-G2065 PolarHBondContact OD1-N 2.99Å; G2065-D2067 PolarHBondContact O-N 2.55Å; G2065-E2074 PolarHBondContact N-OE1 2.75Å; G2065-E2074 VanDerWaalsContact N-OE1 3.16Å; G2065-E2074 WeakPolarHBondContact O-CG 3.33Å | |
| 2066 | R | 80.4 | Confident | 79 | Confident | 216 Ų | 216 | 55.5 Ų | 55.5 | 82% | 0.815 | 30% | 0.299 | S | S | * | . | 0 | 98.6 | 0 | -80.5 | -171.8 | -134.3 | -146.7 | 0.2 | 110.5 | |||||
| 2067 | D | 82.4 | Confident | 79.1 | Confident | 58 Ų | 58 | 57.9 Ų | 57.9 | 31% | 0.31 | 32% | 0.316 | S | S | . | . | trans | -97.9 | 0 | -176.9 | -61 | -52.7 | 0 | 0 | 0 | 110.3 | Q2054 I2056 Y2060 G2065 D2073 | Q2054-D2067 PolarHBondContact NE2-O 2.7Å; I2056-D2067 HydrophobicContact CD1-CB 3.36Å; I2056-D2067 HydrophobicContact CG1-CB 4.04Å; I2056-D2067 HydrophobicContact CG2-CB 3.83Å; Y2060-D2067 WeakPolarHBondContact CB-OD2 3.2Å; Y2060-D2067 VanDerWaalsContact O-OD2 3.06Å; G2065-D2067 PolarHBondContact O-N 2.55Å; D2067-D2073 WeakPolarHBondContact CB-OD2 2.83Å; D2067-D2073 PolarHBondContact N-OD1 2.93Å; D2067-D2073 PolarHBondContact N-OD2 1.68Å; D2067-D2073 VanDerWaalsContact N-OD2 3.15Å | ||
| 2068 | C | 78.2 | Confident | 79.2 | Confident | 4 Ų | 4 | 59 Ų | 59 | 3% | 0.027 | 32% | 0.324 | C | S | . | . | S | Bend | 0 | 137.1 | 0 | -74.6 | 0 | 0 | 0 | 0 | 109.3 | C2048 I2056 G2070 G2071 E2072 D2073 | C2048-C2068 HydrophobicContact CB-CB 3.8Å; C2048-C2068 WeakPolarHBondContact CB-SG 3.08Å; C2048-C2068 WeakPolarHBondContact SG-CB 3.26Å; C2048-C2068 CovalentContact SG-SG 1.81Å; C2048-C2068 PolarHBondContact SG-SG 2.89Å; I2056-C2068 HydrophobicContact CD1-CB 3.71Å; I2056-C2068 WeakPolarHBondContact CD1-SG 3.47Å; C2068-G2070 PolarHBondContact O-N 3.38Å; C2068-G2071 PolarHBondContact O-N 3.18Å; C2068-E2072 HydrophobicContact CB-CG 3.65Å; C2068-D2073 HydrophobicContact CB-CB 4.33Å; C2068-D2073 WeakPolarHBondContact CB-OD1 3.46Å; C2068-D2073 PolarHBondContact N-OD1 2.79Å | |
| 2069 | R | 75.7 | Confident | 79.2 | Confident | 236 Ų | 236 | 61.4 Ų | 61.4 | 89% | 0.891 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.7 | -29.1 | -178.5 | -120 | -176.7 | -174.2 | -173.6 | 1.1 | 111 | ||
| 2070 | G | 72.5 | Confident | 79.4 | Confident | 40 Ų | 40 | 60.5 Ų | 60.5 | 41% | 0.412 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | 5.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | T2050 C2068 E2072 | T2050-G2070 PolarHBondContact OG1-N 3Å; T2050-G2070 VanDerWaalsContact OG1-N 3.16Å; C2068-G2070 PolarHBondContact O-N 3.38Å; G2070-E2072 WeakPolarHBondContact CA-OE2 3.19Å; G2070-E2072 PolarHBondContact O-N 3.13Å |
| 2071 | G | 76.6 | Confident | 79.4 | Confident | 11 Ų | 11 | 59.8 Ų | 59.8 | 11% | 0.113 | 34% | 0.339 | C | S | . | . | trans | 63.6 | 11.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | C2068 D2073 E2074 | C2068-G2071 PolarHBondContact O-N 3.18Å; G2071-D2073 PolarHBondContact O-N 3.44Å; G2071-E2074 PolarHBondContact O-N 2.89Å | ||
| 2072 | E | 80.7 | Confident | 79.6 | Confident | 39 Ų | 39 | 59.6 Ų | 59.6 | 18% | 0.182 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -60.6 | 0 | -178.9 | 45.3 | -106.5 | -153.9 | 0 | 0 | 111.7 | F2046 C2048 G2049 T2050 C2068 G2070 E2074 A2075 | F2046-E2072 HydrophobicContact CE1-CG 4.18Å; C2048-E2072 WeakPolarHBondContact CB-OE1 3.48Å; G2049-E2072 PolarHBondContact N-OE1 2.85Å; T2050-E2072 WeakPolarHBondContact CB-OE1 3.29Å; T2050-E2072 WeakPolarHBondContact CG2-OE2 3.45Å; T2050-E2072 PolarHBondContact N-OE1 2.82Å; T2050-E2072 PolarHBondContact OG1-OE1 3.1Å; T2050-E2072 PolarHBondContact OG1-OE2 3.2Å; T2050-E2072 VanDerWaalsContact OG1-OE2 3.05Å; C2068-E2072 HydrophobicContact CB-CG 3.65Å; G2070-E2072 WeakPolarHBondContact CA-OE2 3.19Å; G2070-E2072 PolarHBondContact O-N 3.13Å; E2072-E2074 PolarHBondContact O-N 2.74Å; E2072-E2074 VanDerWaalsContact O-N 3.16Å; E2072-A2075 WeakPolarHBondContact O-CB 3.31Å; E2072-A2075 PolarHBondContact O-N 3.17Å |
| 2073 | D | 85 | Confident | 79.5 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 35% | 0.347 | C | S | . | . | G | 310 helix | 0 | -16.6 | 0 | 63.3 | -50.2 | 0 | 0 | 0 | 110.9 | F2046 I2056 C2062 D2067 C2068 G2071 | F2046-D2073 HydrophobicContact CD1-CB 3.76Å; F2046-D2073 VanDerWaalsContact CE1-CA 3.4Å; F2046-D2073 HydrophobicContact CE1-CB 3.67Å; I2056-D2073 HydrophobicContact CD1-CB 3.63Å; C2062-D2073 PolarHBondContact N-O 3.36Å; D2067-D2073 WeakPolarHBondContact CB-OD2 2.83Å; D2067-D2073 PolarHBondContact N-OD1 2.93Å; D2067-D2073 PolarHBondContact N-OD2 1.68Å; D2067-D2073 VanDerWaalsContact N-OD2 3.15Å; C2068-D2073 HydrophobicContact CB-CB 4.33Å; C2068-D2073 WeakPolarHBondContact CB-OD1 3.46Å; C2068-D2073 PolarHBondContact N-OD1 2.79Å; G2071-D2073 PolarHBondContact O-N 3.44Å | |
| 2074 | E | 85.4 | Confident | 79 | Confident | 46 Ų | 46 | 63.3 Ų | 63.3 | 22% | 0.215 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -107.7 | 9.3 | 179.6 | -60.6 | -66.3 | 160.1 | 0 | 0 | 110.2 | C2062 D2063 G2064 G2065 G2071 E2072 | C2062-E2074 VanDerWaalsContact CA-OE2 3.28Å; C2062-E2074 WeakPolarHBondContact CA-OE2 3.24Å; D2063-E2074 PolarHBondContact N-OE1 3.2Å; D2063-E2074 PolarHBondContact N-OE2 3.49Å; G2064-E2074 PolarHBondContact N-OE1 2.22Å; G2064-E2074 PolarHBondContact N-OE2 2.75Å; G2065-E2074 PolarHBondContact N-OE1 2.75Å; G2065-E2074 VanDerWaalsContact N-OE1 3.16Å; G2065-E2074 WeakPolarHBondContact O-CG 3.33Å; G2071-E2074 PolarHBondContact O-N 2.89Å; E2072-E2074 PolarHBondContact O-N 2.74Å; E2072-E2074 VanDerWaalsContact O-N 3.16Å |
| 2075 | A | 75.7 | Confident | 77.9 | Confident | 56 Ų | 56 | 65.2 Ų | 65.2 | 46% | 0.463 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -97.3 | 0 | 179 | 0 | 0 | 0 | 0 | 0 | 109.9 | E2072 C2077 | E2072-A2075 WeakPolarHBondContact O-CB 3.31Å; E2072-A2075 PolarHBondContact O-N 3.17Å; A2075-C2077 PolarHBondContact O-N 3.34Å |
| 2076 | D | 74.3 | Confident | 76.9 | Confident | 106 Ų | 106 | 70 Ų | 70 | 57% | 0.567 | 37% | 0.369 | S | S | * | . | S | Bend | 0 | 29.4 | 0 | -158.9 | 18.4 | 0 | 0 | 0 | 110.8 | S2078 V2108 K2140 | D2076-S2078 PolarHBondContact O-N 3Å; D2076-V2108 VanDerWaalsContact O-CB 3.27Å; D2076-V2108 WeakPolarHBondContact O-CB 3.41Å; D2076-V2108 WeakPolarHBondContact O-CG1 3.46Å; D2076-V2108 WeakPolarHBondContact O-CG2 3.24Å; D2076-K2140 IonicContact OD2-NZ 3.22Å; D2076-K2140 PolarHBondContact OD2-NZ 3.33Å | |
| 2077 | C | 80.7 | Confident | 75.6 | Confident | 58 Ų | 58 | 70.9 Ų | 70.9 | 39% | 0.392 | 37% | 0.372 | S | S | . | . | trans | -70.4 | 125.3 | 176.8 | -64.6 | 0 | 0 | 0 | 0 | 109.9 | C2062 A2075 | C2062-C2077 WeakPolarHBondContact CA-SG 3.47Å; C2062-C2077 HydrophobicContact CB-CB 3.84Å; C2062-C2077 WeakPolarHBondContact CB-SG 3.48Å; C2062-C2077 WeakPolarHBondContact SG-CA 3.25Å; C2062-C2077 WeakPolarHBondContact SG-CB 3.5Å; C2062-C2077 CovalentContact SG-SG 2.1Å; C2062-C2077 PolarHBondContact SG-SG 2.67Å; A2075-C2077 PolarHBondContact O-N 3.34Å | ||
| 2078 | S | 81.7 | Confident | 74.3 | Confident | 44 Ų | 44 | 76 Ų | 76 | 31% | 0.308 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 139 | 176.7 | 57.3 | 0 | 0 | 0 | 0 | 109.9 | D2076 V2108 | D2076-S2078 PolarHBondContact O-N 3Å; S2078-V2108 PolarHBondContact N-O 2.57Å; S2078-V2108 PolarHBondContact O-N 2.88Å; S2078-V2108 WeakPolarHBondContact OG-CG2 3.05Å; S2078-V2108 PolarHBondContact OG-N 3.04Å; S2078-V2108 VanDerWaalsContact OG-N 3.07Å |
| 2079 | P | 80.4 | Confident | 73.5 | Confident | 71 Ų | 71 | 80.1 Ų | 80.1 | 46% | 0.461 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 147.4 | 178.8 | 21.7 | -24.6 | 0 | 0 | 0 | 111.8 | T2081 E2168 | P2079-T2081 PolarHBondContact O-N 3.04Å; P2079-T2081 PolarHBondContact O-OG1 3.5Å; P2079-E2168 WeakPolarHBondContact CA-OE2 2.82Å; P2079-E2168 WeakPolarHBondContact CB-OE2 2.69Å |
| 2080 | P | 83.7 | Confident | 73.2 | Confident | 7 Ų | 7 | 72.6 Ų | 72.6 | 5% | 0.045 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 127.5 | 179 | 23.4 | -27.6 | 0 | 0 | 0 | 112.1 | S2106 P2111 A2163 T2165 E2168 A2170 | P2080-S2106 CarbonylContact C-O 3.49Å; P2080-S2106 VanDerWaalsContact C-O 3.27Å; P2080-S2106 WeakPolarHBondContact CA-O 3.39Å; P2080-P2111 HydrophobicContact CB-CB 3.7Å; P2080-P2111 HydrophobicContact CB-CG 4.12Å; P2080-A2163 HydrophobicContact CB-CB 4.05Å; P2080-T2165 HydrophobicContact CB-CG2 3.93Å; P2080-T2165 HydrophobicContact CG-CG2 3.84Å; P2080-E2168 HydrophobicContact CG-CB 4.08Å; P2080-A2170 HydrophobicContact CB-CB 4.35Å; P2080-A2170 WeakPolarHBondContact O-CB 3.32Å |
| 2081 | T | 84.6 | Confident | 73.6 | Confident | 76 Ų | 76 | 72.8 Ų | 72.8 | 47% | 0.466 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 132.1 | 176 | -54.9 | 0 | 0 | 0 | 0 | 109.5 | P2079 A2105 S2106 | P2079-T2081 PolarHBondContact O-N 3.04Å; P2079-T2081 PolarHBondContact O-OG1 3.5Å; T2081-A2105 CarbonylContact O-C 3.3Å; T2081-A2105 WeakPolarHBondContact O-CA 3.28Å; T2081-S2106 PolarHBondContact N-O 3.04Å; T2081-S2106 PolarHBondContact O-N 3.03Å; T2081-S2106 PolarHBondContact O-OG 3.24Å |
| 2082 | I | 85.4 | Confident | 73.9 | Confident | 27 Ų | 27 | 77.1 Ų | 77.1 | 14% | 0.138 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 119.9 | -179.6 | -63.6 | -69.2 | 0 | 0 | 0 | 108.9 | Q2084 E2104 A2105 A2163 A2170 | I2082-Q2084 PolarHBondContact O-N 2.67Å; I2082-E2104 CarbonylContact C-O 3.37Å; I2082-A2105 HydrophobicContact CD1-CB 3.78Å; I2082-A2163 HydrophobicContact CD1-CB 3.61Å; I2082-A2163 HydrophobicContact CG1-CB 4.48Å; I2082-A2170 HydrophobicContact CG1-CB 4.19Å |
| 2083 | I | 79.1 | Confident | 74.1 | Confident | 54 Ų | 54 | 75.8 Ų | 75.8 | 28% | 0.277 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 89.8 | 180 | -55.7 | 170.3 | 0 | 0 | 0 | 109.1 | T2085 E2104 L2137 | I2083-T2085 PolarHBondContact O-N 2.64Å; I2083-E2104 HydrophobicContact CD1-CG 4.41Å; I2083-E2104 PolarHBondContact N-O 2.48Å; I2083-L2137 HydrophobicContact CD1-CD1 2.87Å; I2083-L2137 HydrophobicContact CD1-CG 3.94Å; I2083-L2137 HydrophobicContact CG1-CD1 4.37Å |
| 2084 | Q | 65.4 | Low | 74 | Confident | 84 Ų | 84 | 85 Ų | 85 | 39% | 0.393 | 43% | 0.426 | S | S | . | . | trans | -81.1 | 0 | -172.1 | -131 | 155.5 | 6.9 | 0 | 0 | 110.1 | I2082 Q2086 Q2173 | I2082-Q2084 PolarHBondContact O-N 2.67Å; Q2084-Q2086 VanDerWaalsContact C-N 3.28Å; Q2084-Q2173 VanDerWaalsContact NE2-CB 3.28Å; Q2084-Q2173 VanDerWaalsContact NE2-N 3.12Å | ||
| 2085 | T | 53.9 | Low | 73.7 | Confident | 110 Ų | 110 | 86.6 Ų | 86.6 | 68% | 0.675 | 44% | 0.44 | S | S | * | . | 0 | 0 | 0 | 34.7 | 0 | 0 | 0 | 0 | 109.4 | I2083 | I2083-T2085 PolarHBondContact O-N 2.64Š| |||
| 2086 | Q | 53 | Low | 73.8 | Confident | 127 Ų | 127 | 86 Ų | 86 | 59% | 0.593 | 44% | 0.44 | S | S | * | . | S | Bend | 0 | 108.3 | 0 | -73.4 | -159.3 | -11.4 | 0 | 0 | 109 | Q2084 | Q2084-Q2086 VanDerWaalsContact C-N 3.28Š| |
| 2087 | R | 52.6 | Low | 74.3 | Confident | 235 Ų | 235 | 82.1 Ų | 82.1 | 89% | 0.887 | 42% | 0.424 | S | S | * | . | trans | -17.2 | 0 | 163.2 | -123.2 | -179.4 | 168.3 | -177.2 | 0.1 | 111.6 | E2089 | R2087-E2089 VanDerWaalsContact C-N 3.31Å; R2087-E2089 PolarHBondContact O-N 2.82Å | ||
| 2088 | Q | 56 | Low | 74.6 | Confident | 165 Ų | 165 | 85.9 Ų | 85.9 | 77% | 0.771 | 43% | 0.43 | S | S | * | . | S | Bend | 0 | 0 | 0 | -126.3 | 173.4 | -5.1 | 0 | 0 | 111.7 | |||
| 2089 | E | 61 | Low | 74.9 | Confident | 91 Ų | 91 | 84.1 Ų | 84.1 | 43% | 0.425 | 42% | 0.418 | S | S | . | . | 0 | 105.1 | 0 | -89.2 | -176.9 | -179.5 | 0 | 0 | 110.1 | R2087 H2091 | R2087-E2089 VanDerWaalsContact C-N 3.31Å; R2087-E2089 PolarHBondContact O-N 2.82Å; E2089-H2091 IonicContact OE2-CE1 3.77Å; E2089-H2091 PolarHBondContact OE2-CE1 2.9Å; E2089-H2091 IonicContact OE2-NE2 3.93Å; E2089-H2091 PolarHBondContact OE2-NE2 3.38Å | |||
| 2090 | T | 69.3 | Low | 75.3 | Confident | 77 Ų | 77 | 84.1 Ų | 84.1 | 47% | 0.472 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.4 | 0 | 157.5 | 44 | 0 | 0 | 0 | 0 | 110.6 | F2176 F2178 | T2090-F2176 CarbonylContact C-O 3.31Å; T2090-F2176 VanDerWaalsContact CA-O 3.32Å; T2090-F2176 WeakPolarHBondContact CA-O 3.5Å; T2090-F2176 HydrophobicContact CG2-CB 4.07Å; T2090-F2178 HydrophobicContact CG2-CE2 3.85Å |
| 2091 | H | 81.2 | Confident | 75.5 | Confident | 44 Ų | 44 | 84.1 Ų | 84.1 | 20% | 0.204 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 126.3 | 0 | -69 | -87.8 | 0 | 0 | 0 | 110.6 | E2089 L2099 F2176 V2177 F2178 | E2089-H2091 IonicContact OE2-CE1 3.77Å; E2089-H2091 PolarHBondContact OE2-CE1 2.9Å; E2089-H2091 IonicContact OE2-NE2 3.93Å; E2089-H2091 PolarHBondContact OE2-NE2 3.38Å; H2091-L2099 HydrophobicContact CB-CD1 4.05Å; H2091-F2176 PolarHBondContact N-O 3.03Å; H2091-V2177 HydrophobicContact CB-CG1 4.34Å; H2091-V2177 HydrophobicContact CB-CG2 4.12Å; H2091-V2177 CarbonylContact O-C 3.34Å; H2091-V2177 WeakPolarHBondContact O-CA 3.22Å; H2091-F2178 PolarHBondContact O-N 3.35Å | |
| 2092 | R | 83.2 | Confident | 75.7 | Confident | 102 Ų | 102 | 84.6 Ų | 84.6 | 39% | 0.385 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 126 | 176.3 | -77.5 | -176.9 | 177.4 | -130.5 | -0 | 109.6 | E1877 R1912 F2178 | E1877-R2092 IonicContact OE1-CZ 3.14Å; E1877-R2092 IonicContact OE1-NH2 2.1Å; E1877-R2092 PolarHBondContact OE1-NH2 3.01Å; E1877-R2092 IonicContact OE2-CZ 3.9Å; E1877-R2092 IonicContact OE2-NE 3.01Å; E1877-R2092 IonicContact OE2-NH1 3.99Å; E1877-R2092 IonicContact OE2-NH2 2.58Å; E1877-R2092 PolarHBondContact OE2-NH2 2.75Å; R1912-R2092 VanDerWaalsContact NE-NH2 3.16Å; R2092-F2178 CarbonylContact C-O 3.31Å; R2092-F2178 WeakPolarHBondContact CA-O 3.22Å; R2092-F2178 HydrophobicContact CG-CB 4.09Å |
| 2093 | V | 85.2 | Confident | 75.8 | Confident | 12 Ų | 12 | 83.5 Ų | 83.5 | 7% | 0.073 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 127.8 | -173.8 | -174.5 | 0 | 0 | 0 | 0 | 108.4 | L2099 F2151 V2177 F2178 S2180 | V2093-L2099 HydrophobicContact CG2-CB 4.09Å; V2093-L2099 HydrophobicContact CG2-CD1 3.8Å; V2093-L2099 HydrophobicContact CG2-CG 4.4Å; V2093-F2151 HydrophobicContact CB-CB 4.18Å; V2093-F2151 HydrophobicContact CB-CD1 3.62Å; V2093-F2151 HydrophobicContact CB-CD2 4.14Å; V2093-F2151 HydrophobicContact CB-CE1 3.97Å; V2093-F2151 HydrophobicContact CB-CE2 4.45Å; V2093-F2151 HydrophobicContact CB-CG 3.72Å; V2093-F2151 HydrophobicContact CB-CZ 4.37Å; V2093-F2151 HydrophobicContact CG1-CB 3.33Å; V2093-F2151 HydrophobicContact CG1-CD1 3.8Å; V2093-F2151 HydrophobicContact CG1-CD2 3.99Å; V2093-F2151 HydrophobicContact CG1-CG 3.45Å; V2093-F2151 VanDerWaalsContact CG1-CG 3.45Å; V2093-F2151 HydrophobicContact CG2-CD2 4.39Å; V2093-F2151 HydrophobicContact CG2-CE2 4.43Å; V2093-F2151 HydrophobicContact CG2-CG 4.46Å; V2093-V2177 HydrophobicContact CG2-CG1 3.94Å; V2093-F2178 PolarHBondContact N-O 3.12Å; V2093-S2180 PolarHBondContact O-N 2.51Å |
| 2094 | R | 82.6 | Confident | 76.3 | Confident | 193 Ų | 193 | 81.4 Ų | 81.4 | 73% | 0.728 | 39% | 0.393 | S | S | * | . | trans | -69.2 | 141.1 | 177 | -70.8 | -175.7 | -177.5 | 137.4 | -0.6 | 110.7 | G2096 G2097 | R2094-G2096 PolarHBondContact O-N 3.34Å; R2094-G2097 WeakPolarHBondContact O-CA 3.4Å; R2094-G2097 PolarHBondContact O-N 3.46Å | ||
| 2095 | P | 78.4 | Confident | 77.4 | Confident | 80 Ų | 80 | 77.4 Ų | 77.4 | 52% | 0.519 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48 | 0 | 173.6 | -23.3 | 31.7 | 0 | 0 | 0 | 111.8 | G2097 F2151 L2179 S2180 | P2095-G2097 VanDerWaalsContact C-N 3.34Å; P2095-F2151 CarbonylContact C-O 3.53Å; P2095-F2151 VanDerWaalsContact C-O 3.29Å; P2095-F2151 WeakPolarHBondContact CA-O 3.42Å; P2095-L2179 HydrophobicContact CB-CD1 4.39Å; P2095-L2179 HydrophobicContact CG-CD1 3.84Å; P2095-L2179 HydrophobicContact CG-CD2 4.45Å; P2095-L2179 HydrophobicContact CG-CG 4.22Å; P2095-S2180 WeakPolarHBondContact CD-O 3.07Å |
| 2096 | G | 78.8 | Confident | 79 | Confident | 44 Ų | 44 | 73.7 Ų | 73.7 | 45% | 0.454 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.2 | R2094 N2150 F2151 | R2094-G2096 PolarHBondContact O-N 3.34Å; G2096-N2150 WeakPolarHBondContact CA-OD1 3.4Å; G2096-F2151 PolarHBondContact N-O 3.17Å | |
| 2097 | G | 83.3 | Confident | 80.4 | Confident | 24 Ų | 24 | 67.7 Ų | 67.7 | 25% | 0.247 | 33% | 0.325 | C | S | . | . | 0 | 167.9 | 0 | 0 | 0 | 0 | 0 | 0 | 112.1 | R2094 P2095 N2150 F2151 | R2094-G2097 WeakPolarHBondContact O-CA 3.4Å; R2094-G2097 PolarHBondContact O-N 3.46Å; P2095-G2097 VanDerWaalsContact C-N 3.34Å; G2097-N2150 PolarHBondContact O-N 3.36Å; G2097-F2151 VanDerWaalsContact O-CB 3.24Å; G2097-F2151 WeakPolarHBondContact O-CB 3.4Å; G2097-F2151 PolarHBondContact O-N 3.31Å | |||
| 2098 | R | 88.1 | Confident | 81.7 | Confident | 136 Ų | 136 | 57 Ų | 57 | 51% | 0.513 | 29% | 0.286 | S | S | . | . | trans | -106.5 | 0 | -178.7 | 178.6 | -179.9 | 179.8 | -154.6 | 2.2 | 109.7 | I2100 T2147 I2148 E2149 | R2098-I2100 HydrophobicContact CG-CG1 4.21Å; R2098-T2147 HydrophobicContact CG-CG2 4.17Å; R2098-I2148 WeakPolarHBondContact CA-O 3.17Å; R2098-E2149 WeakPolarHBondContact CD-OE1 3.25Å; R2098-E2149 IonicContact CZ-OE1 3.68Å; R2098-E2149 IonicContact NE-OE1 3.68Å; R2098-E2149 PolarHBondContact NE-OE1 2.59Å | ||
| 2099 | L | 87.8 | Confident | 82.7 | Confident | 8 Ų | 8 | 50 Ų | 50 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 126.2 | 0 | 174.5 | 69.7 | 0 | 0 | 0 | 109.7 | H2091 V2093 L2101 T2147 I2148 F2151 V2177 | H2091-L2099 HydrophobicContact CB-CD1 4.05Å; V2093-L2099 HydrophobicContact CG2-CB 4.09Å; V2093-L2099 HydrophobicContact CG2-CD1 3.8Å; V2093-L2099 HydrophobicContact CG2-CG 4.4Å; L2099-L2101 HydrophobicContact CD1-CD2 4.2Å; L2099-L2101 HydrophobicContact CD1-CG 4.47Å; L2099-L2101 HydrophobicContact CD2-CD1 4.16Å; L2099-L2101 HydrophobicContact CD2-CG 4.32Å; L2099-L2101 HydrophobicContact CG-CD2 4.45Å; L2099-L2101 HydrophobicContact CG-CG 4.15Å; L2099-T2147 WeakPolarHBondContact O-CA 3.43Å; L2099-I2148 HydrophobicContact CB-CB 4.27Å; L2099-I2148 HydrophobicContact CD2-CD1 3.81Å; L2099-I2148 PolarHBondContact N-O 2.29Å; L2099-I2148 PolarHBondContact O-N 2.5Å; L2099-F2151 HydrophobicContact CB-CD2 4.2Å; L2099-F2151 HydrophobicContact CB-CE2 4.47Å; L2099-F2151 HydrophobicContact CD2-CD2 4.47Å; L2099-F2151 HydrophobicContact CD2-CE2 3.92Å; L2099-V2177 HydrophobicContact CD2-CB 4.32Å; L2099-V2177 HydrophobicContact CD2-CG1 3.71Å; L2099-V2177 HydrophobicContact CD2-CG2 3.79Å | |
| 2100 | I | 88.4 | Confident | 83.5 | Confident | 70 Ų | 70 | 46 Ų | 46 | 36% | 0.359 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 122.7 | 179.4 | -61.9 | 174.7 | 0 | 0 | 0 | 108.4 | R2098 R2145 L2146 T2147 | R2098-I2100 HydrophobicContact CG-CG1 4.21Å; I2100-R2145 HydrophobicContact CG2-CG 3.71Å; I2100-L2146 CarbonylContact C-O 3.34Å; I2100-L2146 VanDerWaalsContact CA-O 3.31Å; I2100-L2146 WeakPolarHBondContact CA-O 3.13Å; I2100-T2147 HydrophobicContact CG1-CG2 4.16Å |
| 2101 | L | 89.1 | Confident | 84.2 | Confident | 7 Ų | 7 | 42.3 Ų | 42.3 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 0 | 176.5 | -59.4 | 174.8 | 0 | 0 | 0 | 109.4 | L2099 W2115 R2145 L2146 Y2159 I2175 | L2099-L2101 HydrophobicContact CD1-CD2 4.2Å; L2099-L2101 HydrophobicContact CD1-CG 4.47Å; L2099-L2101 HydrophobicContact CD2-CD1 4.16Å; L2099-L2101 HydrophobicContact CD2-CG 4.32Å; L2099-L2101 HydrophobicContact CG-CD2 4.45Å; L2099-L2101 HydrophobicContact CG-CG 4.15Å; L2101-W2115 HydrophobicContact CB-CH2 3.32Å; L2101-W2115 HydrophobicContact CB-CZ2 4.14Å; L2101-W2115 HydrophobicContact CB-CZ3 3.64Å; L2101-W2115 HydrophobicContact CD1-CZ3 3.96Å; L2101-W2115 HydrophobicContact CG-CZ3 4.48Å; L2101-W2115 WeakPolarHBondContact O-CZ2 3.3Å; L2101-R2145 CarbonylContact O-C 3.42Å; L2101-R2145 VanDerWaalsContact O-CA 3.31Å; L2101-R2145 WeakPolarHBondContact O-CA 3.49Å; L2101-L2146 HydrophobicContact CB-CB 4.37Å; L2101-L2146 HydrophobicContact CD1-CD2 4.36Å; L2101-L2146 PolarHBondContact N-O 3.02Å; L2101-L2146 PolarHBondContact O-N 3.09Å; L2101-Y2159 HydrophobicContact CD1-CD1 4.27Å; L2101-Y2159 HydrophobicContact CD1-CD2 4.48Å; L2101-Y2159 HydrophobicContact CD1-CG 3.94Å; L2101-I2175 HydrophobicContact CD1-CD1 4.44Å; L2101-I2175 HydrophobicContact CD1-CG2 4.48Å; L2101-I2175 HydrophobicContact CD2-CG2 4.13Å |
| 2102 | E | 87.9 | Confident | 84.3 | Confident | 86 Ų | 86 | 40.4 Ų | 40.4 | 40% | 0.402 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | 0 | 145.1 | 0 | -68.9 | -173.7 | 157.9 | 0 | 0 | 109.7 | K2143 S2144 R2145 | E2102-K2143 IonicContact OE2-NZ 3.09Å; E2102-S2144 CarbonylContact C-O 3.5Å; E2102-S2144 WeakPolarHBondContact CA-O 3.37Å; E2102-R2145 HydrophobicContact CG-CB 4.05Å; E2102-R2145 HydrophobicContact CG-CG 3.93Å; E2102-R2145 IonicContact OE1-CZ 2.92Å; E2102-R2145 IonicContact OE1-NE 3.74Å; E2102-R2145 PolarHBondContact OE1-NE 2.6Å; E2102-R2145 IonicContact OE1-NH2 3.47Å; E2102-R2145 PolarHBondContact OE1-NH2 2.95Å | |
| 2103 | C | 88.4 | Confident | 84.4 | Confident | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.034 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 122.1 | 180 | -174.2 | 0 | 0 | 0 | 0 | 108.7 | I2113 W2115 K2143 S2144 C2161 | C2103-I2113 HydrophobicContact CB-CG2 4.13Å; C2103-I2113 WeakPolarHBondContact O-CD1 3.39Å; C2103-W2115 HydrophobicContact CB-CH2 4.01Å; C2103-W2115 HydrophobicContact CB-CZ2 3.69Å; C2103-K2143 CarbonylContact O-C 3.18Å; C2103-K2143 VanDerWaalsContact O-CA 3.29Å; C2103-K2143 WeakPolarHBondContact O-CA 3.19Å; C2103-S2144 PolarHBondContact N-O 3.37Å; C2103-S2144 PolarHBondContact O-N 3.13Å; C2103-C2161 HydrophobicContact CB-CB 3.44Å; C2103-C2161 VanDerWaalsContact CB-CB 3.44Å; C2103-C2161 WeakPolarHBondContact CB-SG 3.41Å; C2103-C2161 WeakPolarHBondContact SG-CB 3.42Å; C2103-C2161 CovalentContact SG-SG 1.79Å; C2103-C2161 PolarHBondContact SG-SG 2.53Å |
| 2104 | E | 89.2 | Confident | 84.4 | Confident | 9 Ų | 9 | 36 Ų | 36 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 138.1 | 179.2 | -173.9 | 171.3 | -173.3 | 0 | 0 | 110 | I2082 I2083 S2135 S2136 S2142 K2143 | I2082-E2104 CarbonylContact C-O 3.37Å; I2083-E2104 HydrophobicContact CD1-CG 4.41Å; I2083-E2104 PolarHBondContact N-O 2.48Å; E2104-S2135 PolarHBondContact OE1-OG 3.24Å; E2104-S2136 WeakPolarHBondContact OE1-CA 3.45Å; E2104-S2136 WeakPolarHBondContact OE1-CB 3.18Å; E2104-S2136 PolarHBondContact OE1-N 2.93Å; E2104-S2136 PolarHBondContact OE1-OG 2.93Å; E2104-S2136 PolarHBondContact OE2-OG 2.79Å; E2104-S2142 CarbonylContact C-O 3.44Å; E2104-S2142 WeakPolarHBondContact CA-O 3.43Å; E2104-K2143 HydrophobicContact CB-CB 4.28Å; E2104-K2143 HydrophobicContact CB-CD 4.24Å; E2104-K2143 HydrophobicContact CB-CG 3.9Å; E2104-K2143 HydrophobicContact CG-CB 4.05Å; E2104-K2143 HydrophobicContact CG-CD 4.31Å; E2104-K2143 HydrophobicContact CG-CG 4.15Å |
| 2105 | A | 88.6 | Confident | 84.7 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 141.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | T2081 I2082 P2111 I2113 G2141 S2142 A2163 | T2081-A2105 CarbonylContact O-C 3.3Å; T2081-A2105 WeakPolarHBondContact O-CA 3.28Å; I2082-A2105 HydrophobicContact CD1-CB 3.78Å; A2105-P2111 HydrophobicContact CB-CG 3.71Å; A2105-I2113 HydrophobicContact CB-CD1 4.38Å; A2105-I2113 HydrophobicContact CB-CG1 4.38Å; A2105-G2141 CarbonylContact O-C 3.48Å; A2105-G2141 VanDerWaalsContact O-CA 3.3Å; A2105-G2141 WeakPolarHBondContact O-CA 3.48Å; A2105-S2142 PolarHBondContact N-O 3.47Å; A2105-S2142 PolarHBondContact O-N 2.81Å; A2105-A2163 HydrophobicContact CB-CB 3.51Å |
| 2106 | S | 86.4 | Confident | 85 | Confident | 33 Ų | 33 | 25.1 Ų | 25.1 | 23% | 0.231 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 149.5 | 173.9 | 65.5 | 0 | 0 | 0 | 0 | 110.7 | P2080 T2081 | P2080-S2106 CarbonylContact C-O 3.49Å; P2080-S2106 VanDerWaalsContact C-O 3.27Å; P2080-S2106 WeakPolarHBondContact CA-O 3.39Å; T2081-S2106 PolarHBondContact N-O 3.04Å; T2081-S2106 PolarHBondContact O-N 3.03Å; T2081-S2106 PolarHBondContact O-OG 3.24Å |
| 2107 | G | 82.6 | Confident | 85.4 | Confident | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.6 | 0 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | P2109 P2110 K2140 | G2107-P2109 CarbonylContact C-O 3.52Å; G2107-P2109 CarbonylContact O-C 3.59Å; G2107-P2109 VanDerWaalsContact O-C 3.31Å; G2107-P2110 VanDerWaalsContact O-CA 3.23Å; G2107-P2110 WeakPolarHBondContact O-CA 2.89Å; G2107-K2140 PolarHBondContact N-O 2.95Å |
| 2108 | V | 79.8 | Confident | 85.2 | Confident | 11 Ų | 11 | 22.2 Ų | 22.2 | 7% | 0.067 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | 0 | 108.6 | 0 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | W2061 C2062 D2076 S2078 K2140 | W2061-V2108 HydrophobicContact CH2-CG1 4.15Å; W2061-V2108 HydrophobicContact CZ2-CG1 3.34Å; C2062-V2108 PolarHBondContact SG-O 2.88Å; D2076-V2108 VanDerWaalsContact O-CB 3.27Å; D2076-V2108 WeakPolarHBondContact O-CB 3.41Å; D2076-V2108 WeakPolarHBondContact O-CG1 3.46Å; D2076-V2108 WeakPolarHBondContact O-CG2 3.24Å; S2078-V2108 PolarHBondContact N-O 2.57Å; S2078-V2108 PolarHBondContact O-N 2.88Å; S2078-V2108 WeakPolarHBondContact OG-CG2 3.05Å; S2078-V2108 PolarHBondContact OG-N 3.04Å; S2078-V2108 VanDerWaalsContact OG-N 3.07Å; V2108-K2140 HydrophobicContact CG2-CG 4.49Å | |
| 2109 | P | 77.7 | Confident | 84.7 | Confident | 16 Ų | 16 | 17.6 Ų | 17.6 | 10% | 0.104 | 9% | 0.089 | C | C | . | . | S | Bend | cis | -78.4 | 0 | 12.5 | 12.8 | -12.6 | 0 | 0 | 0 | 111.8 | W2061 G2107 P2111 | W2061-P2109 HydrophobicContact CB-CB 4.4Å; W2061-P2109 HydrophobicContact CB-CG 4.35Å; W2061-P2109 HydrophobicContact CD2-CB 3.76Å; W2061-P2109 HydrophobicContact CD2-CG 4.42Å; W2061-P2109 HydrophobicContact CE3-CB 3.39Å; W2061-P2109 HydrophobicContact CE3-CG 4.44Å; W2061-P2109 HydrophobicContact CG-CB 4.22Å; W2061-P2109 HydrophobicContact CG-CG 4.41Å; W2061-P2109 HydrophobicContact CZ3-CB 3.89Å; G2107-P2109 CarbonylContact C-O 3.52Å; G2107-P2109 CarbonylContact O-C 3.59Å; G2107-P2109 VanDerWaalsContact O-C 3.31Å; P2109-P2111 VanDerWaalsContact O-N 3.16Å |
| 2110 | P | 78.1 | Confident | 84.2 | Confident | 7 Ų | 7 | 20.8 Ų | 20.8 | 5% | 0.045 | 10% | 0.1 | C | C | . | . | P | Polyproline II helix | 0 | 128.8 | 0 | -13.7 | 18.7 | 0 | 0 | 0 | 111.8 | R2035 W2061 G2107 C2139 S2142 | R2035-P2110 HydrophobicContact CB-CB 4.3Å; R2035-P2110 WeakPolarHBondContact CD-O 3.37Å; R2035-P2110 HydrophobicContact CG-CB 4.45Å; R2035-P2110 WeakPolarHBondContact CG-O 3.44Å; W2061-P2110 HydrophobicContact CZ3-CG 4.36Å; G2107-P2110 VanDerWaalsContact O-CA 3.23Å; G2107-P2110 WeakPolarHBondContact O-CA 2.89Å; P2110-C2139 WeakPolarHBondContact CG-O 2.98Å; P2110-S2142 WeakPolarHBondContact CB-OG 3.12Å | |
| 2111 | P | 83.3 | Confident | 83.6 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.088 | C | C | . | . | P | Polyproline II helix | trans | -74.9 | 151 | -175 | 26 | -30.9 | 0 | 0 | 0 | 112.1 | P2080 A2105 P2109 S2142 A2163 L2164 T2165 | P2080-P2111 HydrophobicContact CB-CB 3.7Å; P2080-P2111 HydrophobicContact CB-CG 4.12Å; A2105-P2111 HydrophobicContact CB-CG 3.71Å; P2109-P2111 VanDerWaalsContact O-N 3.16Å; P2111-S2142 WeakPolarHBondContact O-CB 3.3Å; P2111-S2142 PolarHBondContact O-OG 2.52Å; P2111-A2163 HydrophobicContact CB-CB 3.87Å; P2111-A2163 HydrophobicContact CG-CB 4.2Å; P2111-L2164 CarbonylContact C-O 3.57Å; P2111-L2164 VanDerWaalsContact CA-O 3.27Å; P2111-L2164 WeakPolarHBondContact CA-O 2.78Å; P2111-T2165 HydrophobicContact CB-CG2 3.74Å |
| 2112 | M | 83 | Confident | 83.2 | Confident | 5 Ų | 5 | 18.8 Ų | 18.8 | 3% | 0.025 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 134.8 | 170.4 | -172.9 | 177.5 | -72.8 | 0 | 0 | 110.9 | L2011 R2014 T2034 R2035 A2163 L2164 | L2011-M2112 HydrophobicContact CB-SD 3.59Å; L2011-M2112 VanDerWaalsContact CB-SD 3.59Å; L2011-M2112 HydrophobicContact CD2-CG 4.32Å; L2011-M2112 HydrophobicContact CD2-SD 3.36Å; L2011-M2112 WeakPolarHBondContact CD2-SD 3.42Å; L2011-M2112 HydrophobicContact CG-SD 3.97Å; L2011-M2112 WeakPolarHBondContact O-CE 3.06Å; R2014-M2112 HydrophobicContact CB-CE 3.96Å; T2034-M2112 WeakPolarHBondContact OG1-CA 3.44Å; R2035-M2112 VanDerWaalsContact CZ-CE 3.45Å; R2035-M2112 VanDerWaalsContact NH2-CE 3.3Å; M2112-A2163 CarbonylContact O-C 3.48Å; M2112-A2163 WeakPolarHBondContact O-CA 3.33Å; M2112-L2164 HydrophobicContact CB-CB 4.49Å; M2112-L2164 PolarHBondContact N-O 3.01Å; M2112-L2164 PolarHBondContact O-N 2.77Å |
| 2113 | I | 85.7 | Confident | 82.3 | Confident | 10 Ų | 10 | 21.5 Ų | 21.5 | 5% | 0.051 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 129.5 | -177.6 | -64.8 | 179.8 | 0 | 0 | 0 | 109.2 | T2034 C2103 A2105 S2142 C2161 E2162 | T2034-I2113 HydrophobicContact CG2-CB 4.38Å; T2034-I2113 PolarHBondContact OG1-N 3.27Å; C2103-I2113 HydrophobicContact CB-CG2 4.13Å; C2103-I2113 WeakPolarHBondContact O-CD1 3.39Å; A2105-I2113 HydrophobicContact CB-CD1 4.38Å; A2105-I2113 HydrophobicContact CB-CG1 4.38Å; I2113-S2142 WeakPolarHBondContact CD1-O 3.34Å; I2113-C2161 HydrophobicContact CG2-CB 4.09Å; I2113-E2162 CarbonylContact C-O 3.54Å; I2113-E2162 VanDerWaalsContact CA-O 3.28Å; I2113-E2162 WeakPolarHBondContact CA-O 3.1Å |
| 2114 | I | 85.1 | Confident | 81.5 | Confident | 12 Ų | 12 | 23.9 Ų | 23.9 | 6% | 0.062 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 0 | 179.6 | -60 | 169.1 | 0 | 0 | 0 | 107.9 | P1991 I1992 L2011 C2161 E2162 L2164 | P1991-I2114 HydrophobicContact CB-CG2 3.9Å; I1992-I2114 HydrophobicContact CG1-CD1 3.98Å; L2011-I2114 HydrophobicContact CB-CD1 4.36Å; L2011-I2114 HydrophobicContact CD2-CD1 4.16Å; L2011-I2114 HydrophobicContact CD2-CG1 3.95Å; I2114-C2161 CarbonylContact O-C 3.46Å; I2114-C2161 WeakPolarHBondContact O-CA 3.11Å; I2114-E2162 PolarHBondContact N-O 3.31Å; I2114-E2162 PolarHBondContact O-N 3.01Å; I2114-L2164 HydrophobicContact CB-CD1 4.21Å; I2114-L2164 HydrophobicContact CD1-CD1 2.52Å; I2114-L2164 HydrophobicContact CD1-CG 4.06Å; I2114-L2164 HydrophobicContact CG1-CD1 3.51Å |
| 2115 | W | 88 | Confident | 80.5 | Confident | 11 Ų | 11 | 29.1 Ų | 29.1 | 4% | 0.042 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -75.9 | 92.4 | 0 | 0 | 0 | 110.2 | L2101 C2103 L2122 T2130 S2144 L2146 C2161 I2175 | L2101-W2115 HydrophobicContact CB-CH2 3.32Å; L2101-W2115 HydrophobicContact CB-CZ2 4.14Å; L2101-W2115 HydrophobicContact CB-CZ3 3.64Å; L2101-W2115 HydrophobicContact CD1-CZ3 3.96Å; L2101-W2115 HydrophobicContact CG-CZ3 4.48Å; L2101-W2115 WeakPolarHBondContact O-CZ2 3.3Å; C2103-W2115 HydrophobicContact CB-CH2 4.01Å; C2103-W2115 HydrophobicContact CB-CZ2 3.69Å; W2115-L2122 HydrophobicContact CB-CD1 4.11Å; W2115-T2130 HydrophobicContact CB-CG2 4.43Å; W2115-T2130 HydrophobicContact CG-CG2 4.26Å; W2115-S2144 PolarHBondContact NE1-OG 2.72Å; W2115-S2144 VanDerWaalsContact NE1-OG 3.16Å; W2115-L2146 HydrophobicContact CB-CD2 4.26Å; W2115-L2146 HydrophobicContact CD2-CB 3.63Å; W2115-L2146 HydrophobicContact CD2-CD2 3.87Å; W2115-L2146 HydrophobicContact CD2-CG 4.35Å; W2115-L2146 HydrophobicContact CE3-CB 4.1Å; W2115-L2146 HydrophobicContact CE3-CD2 3.7Å; W2115-L2146 HydrophobicContact CG-CB 3.99Å; W2115-L2146 HydrophobicContact CG-CD2 4.14Å; W2115-L2146 HydrophobicContact CG-CG 4.5Å; W2115-L2146 HydrophobicContact CH2-CB 4.31Å; W2115-L2146 HydrophobicContact CZ2-CB 3.91Å; W2115-L2146 HydrophobicContact CZ3-CB 4.4Å; W2115-L2146 HydrophobicContact CZ3-CD2 4.32Å; W2115-C2161 HydrophobicContact CD2-CB 4.13Å; W2115-C2161 HydrophobicContact CE3-CB 4.14Å; W2115-C2161 HydrophobicContact CH2-CB 4.41Å; W2115-C2161 HydrophobicContact CZ2-CB 4.43Å; W2115-C2161 HydrophobicContact CZ3-CB 4.26Å; W2115-I2175 HydrophobicContact CZ3-CD1 4.35Å | |
| 2116 | R | 85.9 | Confident | 79.6 | Confident | 32 Ų | 32 | 33.5 Ų | 33.5 | 12% | 0.121 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | 0 | 146.9 | 0 | -68.5 | -177.6 | 177.4 | -94.7 | -0.9 | 109.2 | R2120 Y2159 N2160 E2162 | R2116-R2120 WeakPolarHBondContact CA-O 3.5Å; R2116-Y2159 VanDerWaalsContact O-CA 3.32Å; R2116-Y2159 WeakPolarHBondContact O-CA 2.78Å; R2116-N2160 WeakPolarHBondContact CB-OD1 3.42Å; R2116-N2160 PolarHBondContact N-O 2.84Å; R2116-N2160 PolarHBondContact O-N 2.77Å; R2116-E2162 IonicContact CZ-OE2 3.76Å; R2116-E2162 IonicContact NE-OE2 2.62Å; R2116-E2162 PolarHBondContact NE-OE2 2.81Å; R2116-E2162 IonicContact NH2-OE2 3.71Å; R2116-E2162 PolarHBondContact NH2-OE2 3.4Å | |
| 2117 | F | 86.7 | Confident | 79.4 | Confident | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.018 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 118 | 175.1 | 169.4 | -117 | 0 | 0 | 0 | 109.4 | W2119 R2120 L2122 R2123 G2154 I2158 Y2159 | F2117-W2119 PolarHBondContact O-N 2.7Å; F2117-W2119 VanDerWaalsContact O-N 3.07Å; F2117-R2120 PolarHBondContact N-O 3.35Å; F2117-R2120 CarbonylContact O-C 3.27Å; F2117-R2120 WeakPolarHBondContact O-CA 3.44Å; F2117-R2120 PolarHBondContact O-N 2.97Å; F2117-L2122 HydrophobicContact CB-CD2 4.01Å; F2117-R2123 HydrophobicContact CD1-CG 4.4Å; F2117-R2123 HydrophobicContact CE1-CG 4.49Å; F2117-R2123 VanDerWaalsContact CE1-NE 3.29Å; F2117-G2154 WeakPolarHBondContact CZ-O 3.44Å; F2117-I2158 CarbonylContact C-O 3.56Å; F2117-I2158 WeakPolarHBondContact CA-O 3.36Å; F2117-Y2159 HydrophobicContact CB-CD1 4.3Å; F2117-Y2159 HydrophobicContact CB-CE1 3.99Å; F2117-Y2159 HydrophobicContact CD2-CD1 4.13Å; F2117-Y2159 HydrophobicContact CD2-CD2 4.21Å; F2117-Y2159 AromaticContact CD2-CE1 3.54Å; F2117-Y2159 HydrophobicContact CD2-CE1 3.54Å; F2117-Y2159 AromaticContact CD2-CE2 3.64Å; F2117-Y2159 HydrophobicContact CD2-CE2 3.64Å; F2117-Y2159 HydrophobicContact CD2-CG 4.43Å; F2117-Y2159 AromaticContact CD2-CZ 3.27Å; F2117-Y2159 WeakPolarHBondContact CD2-OH 3.39Å; F2117-Y2159 HydrophobicContact CE2-CE1 4.39Å; F2117-Y2159 AromaticContact CE2-CE2 3.84Å; F2117-Y2159 HydrophobicContact CE2-CE2 3.84Å; F2117-Y2159 AromaticContact CE2-CZ 3.69Å; F2117-Y2159 HydrophobicContact CG-CE1 4.09Å |
| 2118 | N | 80.3 | Confident | 79.4 | Confident | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 34.5 | -173.3 | -74.4 | -23.4 | 0 | 0 | 0 | 111.3 | E1865 R1867 R2120 I2158 | E1865-N2118 PolarHBondContact O-ND2 2.91Å; R1867-N2118 HydrophobicContact CB-CB 4.16Å; R1867-N2118 WeakPolarHBondContact CB-O 3.37Å; N2118-R2120 PolarHBondContact O-N 2.68Å; N2118-I2158 PolarHBondContact N-O 2.87Å; N2118-I2158 PolarHBondContact OD1-N 2.83Å |
| 2119 | W | 77.4 | Confident | 79.5 | Confident | 39 Ų | 39 | 39.4 Ų | 39.4 | 15% | 0.148 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | 0 | 176.8 | -69.4 | 89.4 | 0 | 0 | 0 | 110.9 | R1867 Q1869 R1872 F2117 M2171 | R1867-W2119 VanDerWaalsContact O-CD1 3.3Å; Q1869-W2119 HydrophobicContact CG-CD2 4.5Å; R1872-W2119 CovalentContact NH1-CH2 1.86Å; R1872-W2119 CovalentContact NH1-CZ2 1.32Å; R1872-W2119 VanDerWaalsContact NH1-CZ3 3.25Å; F2117-W2119 PolarHBondContact O-N 2.7Å; F2117-W2119 VanDerWaalsContact O-N 3.07Å; W2119-M2171 HydrophobicContact CE3-SD 4.43Å; W2119-M2171 HydrophobicContact CH2-CE 3.81Å; W2119-M2171 HydrophobicContact CH2-SD 3.72Å; W2119-M2171 HydrophobicContact CZ3-CE 3.55Å; W2119-M2171 HydrophobicContact CZ3-SD 3.35Å; W2119-M2171 WeakPolarHBondContact CZ3-SD 3.16Å |
| 2120 | R | 76.4 | Confident | 79.8 | Confident | 75 Ų | 75 | 42 Ų | 42 | 28% | 0.283 | 19% | 0.193 | S | C | . | . | B | Isolated β-bridge | 0 | 0 | 0 | -74.4 | -173.5 | 177.9 | 169.7 | 0.8 | 109.5 | R1867 E1947 R2116 F2117 N2118 | R1867-R2120 VanDerWaalsContact CD-CZ 3.42Å; R1867-R2120 VanDerWaalsContact NE-NH2 3.15Å; R1867-R2120 VanDerWaalsContact NH1-CZ 3.3Å; R1867-R2120 VanDerWaalsContact NH2-CZ 3.32Å; E1947-R2120 IonicContact OE1-NH2 3.7Å; E1947-R2120 PolarHBondContact OE1-NH2 3.07Å; E1947-R2120 IonicContact OE2-NH2 3.7Å; R2116-R2120 WeakPolarHBondContact CA-O 3.5Å; F2117-R2120 PolarHBondContact N-O 3.35Å; F2117-R2120 CarbonylContact O-C 3.27Å; F2117-R2120 WeakPolarHBondContact O-CA 3.44Å; F2117-R2120 PolarHBondContact O-N 2.97Å; N2118-R2120 PolarHBondContact O-N 2.68Å | |
| 2121 | C | 75.3 | Confident | 80 | Confident | 17 Ų | 17 | 45.8 Ų | 45.8 | 12% | 0.115 | 21% | 0.21 | C | C | . | . | 0 | 155.3 | 0 | -57.7 | 0 | 0 | 0 | 0 | 110.7 | C1989 D1990 R2123 | C1989-C2121 VanDerWaalsContact CA-SG 3.52Å; C1989-C2121 HydrophobicContact CB-CB 3.37Å; C1989-C2121 WeakPolarHBondContact CB-SG 2.99Å; C1989-C2121 PolarHBondContact O-SG 2.93Å; C1989-C2121 WeakPolarHBondContact SG-CA 3.09Å; C1989-C2121 CovalentContact SG-CB 1.77Å; C1989-C2121 WeakPolarHBondContact SG-CB 3.12Å; C1989-C2121 PolarHBondContact SG-N 2.8Å; C1989-C2121 CovalentContact SG-SG 1.74Å; C1989-C2121 PolarHBondContact SG-SG 3.28Å; D1990-C2121 VanDerWaalsContact C-SG 3.52Å; D1990-C2121 PolarHBondContact N-SG 3.38Å; C2121-R2123 PolarHBondContact O-N 2.71Å | |||
| 2122 | L | 81 | Confident | 79.8 | Confident | 18 Ų | 18 | 47.8 Ų | 47.8 | 9% | 0.094 | 23% | 0.226 | C | C | . | . | trans | -64.6 | 127.4 | 176.2 | -64.3 | 174 | 0 | 0 | 0 | 110.7 | W2115 F2117 M2128 T2130 L2146 Y2159 | W2115-L2122 HydrophobicContact CB-CD1 4.11Å; F2117-L2122 HydrophobicContact CB-CD2 4.01Å; L2122-M2128 HydrophobicContact CB-CB 4.45Å; L2122-M2128 HydrophobicContact CB-SD 4.27Å; L2122-M2128 HydrophobicContact CD1-CB 4.47Å; L2122-M2128 HydrophobicContact CD2-SD 4.19Å; L2122-T2130 HydrophobicContact CD1-CG2 3.85Å; L2122-L2146 HydrophobicContact CD1-CD1 3.57Å; L2122-L2146 HydrophobicContact CD2-CD1 4.48Å; L2122-L2146 HydrophobicContact CD2-CD2 4.17Å; L2122-Y2159 HydrophobicContact CD2-CE1 4.35Å | ||
| 2123 | R | 70.3 | Confident | 79.7 | Confident | 143 Ų | 143 | 48.8 Ų | 48.8 | 54% | 0.54 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -67.1 | 0 | -165.3 | -80.5 | -170.7 | -159.8 | -159.6 | 1.4 | 110.8 | F2117 C2121 | F2117-R2123 HydrophobicContact CD1-CG 4.4Å; F2117-R2123 HydrophobicContact CE1-CG 4.49Å; F2117-R2123 VanDerWaalsContact CE1-NE 3.29Å; C2121-R2123 PolarHBondContact O-N 2.71Å |
| 2124 | D | 71.3 | Confident | 79.4 | Confident | 55 Ų | 55 | 52.5 Ų | 52.5 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | 0 | 90.4 | 0 | -170.3 | -16.2 | 0 | 0 | 0 | 109.2 | T2126 R2127 M2128 | D2124-T2126 VanDerWaalsContact CG-OG1 3.27Å; D2124-T2126 PolarHBondContact O-N 3.46Å; D2124-T2126 WeakPolarHBondContact OD1-CB 3.43Å; D2124-T2126 PolarHBondContact OD1-N 3.32Å; D2124-T2126 VanDerWaalsContact OD1-N 3.13Å; D2124-T2126 PolarHBondContact OD1-OG1 2.84Å; D2124-R2127 HydrophobicContact CB-CB 4.36Å; D2124-R2127 PolarHBondContact O-N 3.03Å; D2124-R2127 PolarHBondContact OD1-N 2.97Å; D2124-M2128 WeakPolarHBondContact O-CA 3.2Å; D2124-M2128 VanDerWaalsContact O-CB 3.26Å; D2124-M2128 WeakPolarHBondContact O-CB 3.18Å; D2124-M2128 PolarHBondContact O-N 3.24Å | |||
| 2125 | E | 67.7 | Low | 79 | Confident | 118 Ų | 118 | 52.4 Ų | 52.4 | 55% | 0.551 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | 0 | -175.1 | -71.1 | -109.4 | 161.1 | 0 | 0 | 111.1 | ||
| 2126 | T | 70.5 | Confident | 78.6 | Confident | 92 Ų | 92 | 56.1 Ų | 56.1 | 56% | 0.564 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 55.1 | 0 | 0 | 0 | 0 | 110.5 | D2124 R2129 | D2124-T2126 VanDerWaalsContact CG-OG1 3.27Å; D2124-T2126 PolarHBondContact O-N 3.46Å; D2124-T2126 WeakPolarHBondContact OD1-CB 3.43Å; D2124-T2126 PolarHBondContact OD1-N 3.32Å; D2124-T2126 VanDerWaalsContact OD1-N 3.13Å; D2124-T2126 PolarHBondContact OD1-OG1 2.84Å; T2126-R2129 PolarHBondContact O-NE 1.54Å; T2126-R2129 PolarHBondContact O-NH1 3.42Å; T2126-R2129 PolarHBondContact O-NH2 3.18Å | |
| 2127 | R | 81.4 | Confident | 78.3 | Confident | 24 Ų | 24 | 57.9 Ų | 57.9 | 9% | 0.091 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | 0 | -38.8 | 0 | -96.1 | -179 | 11 | 105.8 | -1 | 110.4 | D2124 T2147 I2148 E2149 N2150 D2155 | D2124-R2127 HydrophobicContact CB-CB 4.36Å; D2124-R2127 PolarHBondContact O-N 3.03Å; D2124-R2127 PolarHBondContact OD1-N 2.97Å; R2127-T2147 VanDerWaalsContact O-O 3.07Å; R2127-I2148 WeakPolarHBondContact O-CA 2.22Å; R2127-E2149 WeakPolarHBondContact CD-O 3.45Å; R2127-E2149 WeakPolarHBondContact CG-O 2.85Å; R2127-E2149 PolarHBondContact NE-O 2.78Å; R2127-E2149 PolarHBondContact NH1-O 3.18Å; R2127-E2149 PolarHBondContact O-N 2.64Å; R2127-N2150 CovalentContact NH1-O 1.62Å; R2127-N2150 PolarHBondContact NH1-O 3.44Å; R2127-N2150 PolarHBondContact NH2-O 3.13Å; R2127-D2155 IonicContact CZ-OD2 3.76Å; R2127-D2155 VanDerWaalsContact CZ-OD2 3.22Å; R2127-D2155 IonicContact NH1-OD2 2.32Å; R2127-D2155 IonicContact NH2-OD1 3.96Å; R2127-D2155 PolarHBondContact NH2-OD1 2.96Å; R2127-D2155 IonicContact NH2-OD2 3.54Å; R2127-D2155 PolarHBondContact NH2-OD2 3.38Å | |
| 2128 | M | 83.4 | Confident | 77.7 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 89.9 | -178.9 | -58.5 | -179.1 | -173.2 | 0 | 0 | 110.6 | L2122 D2124 L2146 T2147 I2148 D2155 | L2122-M2128 HydrophobicContact CB-CB 4.45Å; L2122-M2128 HydrophobicContact CB-SD 4.27Å; L2122-M2128 HydrophobicContact CD1-CB 4.47Å; L2122-M2128 HydrophobicContact CD2-SD 4.19Å; D2124-M2128 WeakPolarHBondContact O-CA 3.2Å; D2124-M2128 VanDerWaalsContact O-CB 3.26Å; D2124-M2128 WeakPolarHBondContact O-CB 3.18Å; D2124-M2128 PolarHBondContact O-N 3.24Å; M2128-L2146 HydrophobicContact CB-CD1 4.35Å; M2128-T2147 CarbonylContact C-O 3.57Å; M2128-T2147 VanDerWaalsContact CA-O 3.28Å; M2128-T2147 WeakPolarHBondContact CA-O 3.41Å; M2128-I2148 HydrophobicContact CB-CG1 4.07Å; M2128-I2148 HydrophobicContact CE-CG2 4.31Å; M2128-I2148 HydrophobicContact CG-CB 4.19Å; M2128-I2148 HydrophobicContact CG-CD1 4.23Å; M2128-I2148 HydrophobicContact CG-CG1 3.68Å; M2128-I2148 HydrophobicContact CG-CG2 3.7Å; M2128-I2148 HydrophobicContact SD-CD1 4.38Å; M2128-I2148 HydrophobicContact SD-CG1 4.47Å; M2128-D2155 HydrophobicContact CE-CB 4.28Å; M2128-D2155 WeakPolarHBondContact CE-OD1 3.15Å |
| 2129 | R | 81.9 | Confident | 77.4 | Confident | 145 Ų | 145 | 67 Ų | 67 | 55% | 0.547 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 133.4 | -170.8 | -70.9 | -171.3 | -116 | -101.3 | 0.9 | 109.7 | T2126 T2147 | T2126-R2129 PolarHBondContact O-NE 1.54Å; T2126-R2129 PolarHBondContact O-NH1 3.42Å; T2126-R2129 PolarHBondContact O-NH2 3.18Å; R2129-T2147 PolarHBondContact N-O 3.39Å; R2129-T2147 PolarHBondContact O-N 3.48Å |
| 2130 | T | 83.4 | Confident | 77.3 | Confident | 70 Ų | 70 | 70.9 Ų | 70.9 | 43% | 0.429 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 133.3 | 174.7 | 56.7 | 0 | 0 | 0 | 0 | 109.6 | W2115 L2122 R2145 L2146 | W2115-T2130 HydrophobicContact CB-CG2 4.43Å; W2115-T2130 HydrophobicContact CG-CG2 4.26Å; L2122-T2130 HydrophobicContact CD1-CG2 3.85Å; T2130-R2145 CarbonylContact C-O 3.59Å; T2130-R2145 VanDerWaalsContact CA-O 3.3Å; T2130-R2145 WeakPolarHBondContact CA-O 3.1Å; T2130-L2146 HydrophobicContact CG2-CD1 3.6Å |
| 2131 | Q | 82.1 | Confident | 77.5 | Confident | 86 Ų | 86 | 67.3 Ų | 67.3 | 40% | 0.402 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 140.7 | 179.9 | 58 | -171.8 | 5.6 | 0 | 0 | 109.5 | V2133 S2144 R2145 | Q2131-V2133 HydrophobicContact CG-CG2 4.08Å; Q2131-S2144 WeakPolarHBondContact O-CA 2.57Å; Q2131-R2145 HydrophobicContact CG-CB 3.68Å; Q2131-R2145 HydrophobicContact CG-CG 4.26Å; Q2131-R2145 PolarHBondContact N-O 3.17Å; Q2131-R2145 PolarHBondContact O-N 3.43Å |
| 2132 | A | 79.3 | Confident | 78 | Confident | 42 Ų | 42 | 66.5 Ų | 66.5 | 35% | 0.347 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 121 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | N2032 T2034 | N2032-A2132 WeakPolarHBondContact O-CB 2.92Å; T2034-A2132 HydrophobicContact CG2-CB 4.07Å |
| 2133 | V | 81.7 | Confident | 78.2 | Confident | 26 Ų | 26 | 67.5 Ų | 67.5 | 16% | 0.158 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 145.5 | 179.8 | -168.6 | 0 | 0 | 0 | 0 | 108.4 | Q2131 S2135 K2143 R2145 | Q2131-V2133 HydrophobicContact CG-CG2 4.08Å; V2133-S2135 PolarHBondContact O-N 2.57Å; V2133-K2143 HydrophobicContact CB-CG 4.49Å; V2133-K2143 PolarHBondContact N-O 3.23Å; V2133-K2143 WeakPolarHBondContact O-CB 3.43Å; V2133-R2145 HydrophobicContact CG2-CB 3.51Å |
| 2134 | P | 77.9 | Confident | 79.1 | Confident | 89 Ų | 89 | 60.9 Ų | 60.9 | 58% | 0.578 | 32% | 0.323 | S | S | * | . | trans | -58.7 | 128 | -179.1 | -18.3 | 24.3 | 0 | 0 | 0 | 111.8 | ||||
| 2135 | S | 78.4 | Confident | 79.9 | Confident | 10 Ų | 10 | 61.8 Ų | 61.8 | 7% | 0.07 | 32% | 0.322 | C | S | . | . | trans | -78.2 | 144.4 | -177.3 | 171 | 0 | 0 | 0 | 0 | 109.8 | E2104 V2133 L2137 E2138 G2141 | E2104-S2135 PolarHBondContact OE1-OG 3.24Å; V2133-S2135 PolarHBondContact O-N 2.57Å; S2135-L2137 PolarHBondContact O-N 2.98Å; S2135-L2137 PolarHBondContact OG-N 3.08Å; S2135-E2138 PolarHBondContact O-N 3.08Å; S2135-G2141 VanDerWaalsContact CB-C 3.48Å | ||
| 2136 | S | 79.1 | Confident | 81 | Confident | 88 Ų | 88 | 56.1 Ų | 56.1 | 62% | 0.615 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -16.8 | 174.9 | 57 | 0 | 0 | 0 | 0 | 111.7 | E2104 E2138 | E2104-S2136 WeakPolarHBondContact OE1-CA 3.45Å; E2104-S2136 WeakPolarHBondContact OE1-CB 3.18Å; E2104-S2136 PolarHBondContact OE1-N 2.93Å; E2104-S2136 PolarHBondContact OE1-OG 2.93Å; E2104-S2136 PolarHBondContact OE2-OG 2.79Å; S2136-E2138 VanDerWaalsContact C-N 3.31Å |
| 2137 | L | 78.2 | Confident | 81.8 | Confident | 69 Ų | 69 | 52.3 Ų | 52.3 | 36% | 0.361 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 15.1 | -177.7 | -62.1 | 164.4 | 0 | 0 | 0 | 110.9 | I2083 S2135 C2139 K2140 | I2083-L2137 HydrophobicContact CD1-CD1 2.87Å; I2083-L2137 HydrophobicContact CD1-CG 3.94Å; I2083-L2137 HydrophobicContact CG1-CD1 4.37Å; S2135-L2137 PolarHBondContact O-N 2.98Å; S2135-L2137 PolarHBondContact OG-N 3.08Å; L2137-C2139 PolarHBondContact O-N 3.39Å; L2137-K2140 PolarHBondContact O-N 2.86Å |
| 2138 | E | 75.8 | Confident | 82.2 | Confident | 147 Ų | 147 | 51.1 Ų | 51.1 | 69% | 0.687 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | 53.7 | 0 | 179 | -68.2 | -177.3 | -179.8 | 0 | 0 | 111.6 | P2037 S2135 S2136 K2140 | P2037-E2138 WeakPolarHBondContact CG-O 3.16Å; S2135-E2138 PolarHBondContact O-N 3.08Å; S2136-E2138 VanDerWaalsContact C-N 3.31Å; E2138-K2140 PolarHBondContact O-N 2.66Å |
| 2139 | C | 73 | Confident | 82.2 | Confident | 54 Ų | 54 | 54.5 Ų | 54.5 | 37% | 0.365 | 28% | 0.283 | S | S | . | . | G | 310 helix | 0 | 0 | 0 | -67.9 | 0 | 0 | 0 | 0 | 109.9 | C2041 P2110 L2137 | C2041-C2139 HydrophobicContact CB-CB 4.19Å; C2041-C2139 WeakPolarHBondContact CB-SG 3.37Å; C2041-C2139 WeakPolarHBondContact SG-CA 3.44Å; C2041-C2139 WeakPolarHBondContact SG-CB 3.42Å; C2041-C2139 CovalentContact SG-SG 1.88Å; C2041-C2139 PolarHBondContact SG-SG 3.22Å; P2110-C2139 WeakPolarHBondContact CG-O 2.98Å; L2137-C2139 PolarHBondContact O-N 3.39Å | |
| 2140 | K | 74.7 | Confident | 82.2 | Confident | 120 Ų | 120 | 50.4 Ų | 50.4 | 52% | 0.522 | 27% | 0.272 | S | S | . | . | G | 310 helix | 0 | -0.2 | 0 | -71.3 | -172.9 | -179.8 | -180 | 0 | 110.5 | D2076 G2107 V2108 L2137 E2138 | D2076-K2140 IonicContact OD2-NZ 3.22Å; D2076-K2140 PolarHBondContact OD2-NZ 3.33Å; G2107-K2140 PolarHBondContact N-O 2.95Å; V2108-K2140 HydrophobicContact CG2-CG 4.49Å; L2137-K2140 PolarHBondContact O-N 2.86Å; E2138-K2140 PolarHBondContact O-N 2.66Å | |
| 2141 | G | 80.6 | Confident | 82.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 161.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | A2105 S2135 | A2105-G2141 CarbonylContact O-C 3.48Å; A2105-G2141 VanDerWaalsContact O-CA 3.3Å; A2105-G2141 WeakPolarHBondContact O-CA 3.48Å; S2135-G2141 VanDerWaalsContact CB-C 3.48Å |
| 2142 | S | 85.5 | Confident | 82.4 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 134.6 | 177.8 | -57.6 | 0 | 0 | 0 | 0 | 109.6 | T2034 E2104 A2105 P2110 P2111 I2113 | T2034-S2142 WeakPolarHBondContact O-CB 3.29Å; T2034-S2142 PolarHBondContact O-OG 3.26Å; E2104-S2142 CarbonylContact C-O 3.44Å; E2104-S2142 WeakPolarHBondContact CA-O 3.43Å; A2105-S2142 PolarHBondContact N-O 3.47Å; A2105-S2142 PolarHBondContact O-N 2.81Å; P2110-S2142 WeakPolarHBondContact CB-OG 3.12Å; P2111-S2142 WeakPolarHBondContact O-CB 3.3Å; P2111-S2142 PolarHBondContact O-OG 2.52Å; I2113-S2142 WeakPolarHBondContact CD1-O 3.34Å |
| 2143 | K | 87.1 | Confident | 82.3 | Confident | 39 Ų | 39 | 52.8 Ų | 52.8 | 17% | 0.17 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 137.3 | 178.5 | -172 | 174.7 | -177.5 | 177.6 | 0 | 109.6 | E2102 C2103 E2104 V2133 | E2102-K2143 IonicContact OE2-NZ 3.09Å; C2103-K2143 CarbonylContact O-C 3.18Å; C2103-K2143 VanDerWaalsContact O-CA 3.29Å; C2103-K2143 WeakPolarHBondContact O-CA 3.19Å; E2104-K2143 HydrophobicContact CB-CB 4.28Å; E2104-K2143 HydrophobicContact CB-CD 4.24Å; E2104-K2143 HydrophobicContact CB-CG 3.9Å; E2104-K2143 HydrophobicContact CG-CB 4.05Å; E2104-K2143 HydrophobicContact CG-CD 4.31Å; E2104-K2143 HydrophobicContact CG-CG 4.15Å; V2133-K2143 HydrophobicContact CB-CG 4.49Å; V2133-K2143 PolarHBondContact N-O 3.23Å; V2133-K2143 WeakPolarHBondContact O-CB 3.43Å |
| 2144 | S | 88.3 | Confident | 82.3 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 141.7 | -178.8 | 177.2 | 0 | 0 | 0 | 0 | 109.5 | E2102 C2103 W2115 Q2131 | E2102-S2144 CarbonylContact C-O 3.5Å; E2102-S2144 WeakPolarHBondContact CA-O 3.37Å; C2103-S2144 PolarHBondContact N-O 3.37Å; C2103-S2144 PolarHBondContact O-N 3.13Å; W2115-S2144 PolarHBondContact NE1-OG 2.72Å; W2115-S2144 VanDerWaalsContact NE1-OG 3.16Å; Q2131-S2144 WeakPolarHBondContact O-CA 2.57Å |
| 2145 | R | 88.6 | Confident | 82.8 | Confident | 74 Ų | 74 | 49.2 Ų | 49.2 | 28% | 0.279 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 124.3 | 178.8 | 174.9 | -175.5 | -64 | -178.4 | -0.8 | 110 | I2100 L2101 E2102 T2130 Q2131 V2133 | I2100-R2145 HydrophobicContact CG2-CG 3.71Å; L2101-R2145 CarbonylContact O-C 3.42Å; L2101-R2145 VanDerWaalsContact O-CA 3.31Å; L2101-R2145 WeakPolarHBondContact O-CA 3.49Å; E2102-R2145 HydrophobicContact CG-CB 4.05Å; E2102-R2145 HydrophobicContact CG-CG 3.93Å; E2102-R2145 IonicContact OE1-CZ 2.92Å; E2102-R2145 IonicContact OE1-NE 3.74Å; E2102-R2145 PolarHBondContact OE1-NE 2.6Å; E2102-R2145 IonicContact OE1-NH2 3.47Å; E2102-R2145 PolarHBondContact OE1-NH2 2.95Å; T2130-R2145 CarbonylContact C-O 3.59Å; T2130-R2145 VanDerWaalsContact CA-O 3.3Å; T2130-R2145 WeakPolarHBondContact CA-O 3.1Å; Q2131-R2145 HydrophobicContact CG-CB 3.68Å; Q2131-R2145 HydrophobicContact CG-CG 4.26Å; Q2131-R2145 PolarHBondContact N-O 3.17Å; Q2131-R2145 PolarHBondContact O-N 3.43Å; V2133-R2145 HydrophobicContact CG2-CB 3.51Å |
| 2146 | L | 89.4 | Confident | 83.3 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 0 | 173.6 | 173.5 | 65.3 | 0 | 0 | 0 | 110.7 | I2100 L2101 W2115 L2122 M2128 T2130 I2148 Y2159 | I2100-L2146 CarbonylContact C-O 3.34Å; I2100-L2146 VanDerWaalsContact CA-O 3.31Å; I2100-L2146 WeakPolarHBondContact CA-O 3.13Å; L2101-L2146 HydrophobicContact CB-CB 4.37Å; L2101-L2146 HydrophobicContact CD1-CD2 4.36Å; L2101-L2146 PolarHBondContact N-O 3.02Å; L2101-L2146 PolarHBondContact O-N 3.09Å; W2115-L2146 HydrophobicContact CB-CD2 4.26Å; W2115-L2146 HydrophobicContact CD2-CB 3.63Å; W2115-L2146 HydrophobicContact CD2-CD2 3.87Å; W2115-L2146 HydrophobicContact CD2-CG 4.35Å; W2115-L2146 HydrophobicContact CE3-CB 4.1Å; W2115-L2146 HydrophobicContact CE3-CD2 3.7Å; W2115-L2146 HydrophobicContact CG-CB 3.99Å; W2115-L2146 HydrophobicContact CG-CD2 4.14Å; W2115-L2146 HydrophobicContact CG-CG 4.5Å; W2115-L2146 HydrophobicContact CH2-CB 4.31Å; W2115-L2146 HydrophobicContact CZ2-CB 3.91Å; W2115-L2146 HydrophobicContact CZ3-CB 4.4Å; W2115-L2146 HydrophobicContact CZ3-CD2 4.32Å; L2122-L2146 HydrophobicContact CD1-CD1 3.57Å; L2122-L2146 HydrophobicContact CD2-CD1 4.48Å; L2122-L2146 HydrophobicContact CD2-CD2 4.17Å; M2128-L2146 HydrophobicContact CB-CD1 4.35Å; T2130-L2146 HydrophobicContact CG2-CD1 3.6Å; L2146-I2148 HydrophobicContact CD2-CD1 4.37Å; L2146-I2148 HydrophobicContact CG-CG1 4.25Å; L2146-Y2159 HydrophobicContact CD2-CD1 3.93Å; L2146-Y2159 HydrophobicContact CD2-CE1 4.23Å |
| 2147 | T | 89 | Confident | 83.8 | Confident | 11 Ų | 11 | 45 Ų | 45 | 7% | 0.067 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | 0 | 120.2 | 0 | -56 | 0 | 0 | 0 | 0 | 110.2 | R2098 L2099 I2100 R2127 M2128 R2129 E2149 | R2098-T2147 HydrophobicContact CG-CG2 4.17Å; L2099-T2147 WeakPolarHBondContact O-CA 3.43Å; I2100-T2147 HydrophobicContact CG1-CG2 4.16Å; R2127-T2147 VanDerWaalsContact O-O 3.07Å; M2128-T2147 CarbonylContact C-O 3.57Å; M2128-T2147 VanDerWaalsContact CA-O 3.28Å; M2128-T2147 WeakPolarHBondContact CA-O 3.41Å; R2129-T2147 PolarHBondContact N-O 3.39Å; R2129-T2147 PolarHBondContact O-N 3.48Å; T2147-E2149 HydrophobicContact CG2-CG 4.29Å | |
| 2148 | I | 89.4 | Confident | 84.3 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 0 | 174.8 | -56.2 | 172.5 | 0 | 0 | 0 | 108.8 | R2098 L2099 R2127 M2128 L2146 F2151 Y2159 | R2098-I2148 WeakPolarHBondContact CA-O 3.17Å; L2099-I2148 HydrophobicContact CB-CB 4.27Å; L2099-I2148 HydrophobicContact CD2-CD1 3.81Å; L2099-I2148 PolarHBondContact N-O 2.29Å; L2099-I2148 PolarHBondContact O-N 2.5Å; R2127-I2148 WeakPolarHBondContact O-CA 2.22Å; M2128-I2148 HydrophobicContact CB-CG1 4.07Å; M2128-I2148 HydrophobicContact CE-CG2 4.31Å; M2128-I2148 HydrophobicContact CG-CB 4.19Å; M2128-I2148 HydrophobicContact CG-CD1 4.23Å; M2128-I2148 HydrophobicContact CG-CG1 3.68Å; M2128-I2148 HydrophobicContact CG-CG2 3.7Å; M2128-I2148 HydrophobicContact SD-CD1 4.38Å; M2128-I2148 HydrophobicContact SD-CG1 4.47Å; L2146-I2148 HydrophobicContact CD2-CD1 4.37Å; L2146-I2148 HydrophobicContact CG-CG1 4.25Å; I2148-F2151 HydrophobicContact CG2-CD2 4.16Å; I2148-Y2159 HydrophobicContact CD1-CE1 3.65Å; I2148-Y2159 WeakPolarHBondContact CD1-OH 2.23Å |
| 2149 | E | 82.3 | Confident | 85 | Confident | 71 Ų | 71 | 34.7 Ų | 34.7 | 33% | 0.332 | 17% | 0.167 | S | C | . | . | 0 | 0 | 0 | -62.6 | -76.5 | 167.8 | 0 | 0 | 111 | R2098 R2127 T2147 | R2098-E2149 WeakPolarHBondContact CD-OE1 3.25Å; R2098-E2149 IonicContact CZ-OE1 3.68Å; R2098-E2149 IonicContact NE-OE1 3.68Å; R2098-E2149 PolarHBondContact NE-OE1 2.59Å; R2127-E2149 WeakPolarHBondContact CD-O 3.45Å; R2127-E2149 WeakPolarHBondContact CG-O 2.85Å; R2127-E2149 PolarHBondContact NE-O 2.78Å; R2127-E2149 PolarHBondContact NH1-O 3.18Å; R2127-E2149 PolarHBondContact O-N 2.64Å; T2147-E2149 HydrophobicContact CG2-CG 4.29Å | |||
| 2150 | N | 82.5 | Confident | 85.7 | Confident | 59 Ų | 59 | 32.1 Ų | 32.1 | 32% | 0.316 | 15% | 0.15 | S | C | . | . | S | Bend | 0 | 0 | 0 | -165.5 | 17.9 | 0 | 0 | 0 | 111.3 | G2096 G2097 R2127 R2152 | G2096-N2150 WeakPolarHBondContact CA-OD1 3.4Å; G2097-N2150 PolarHBondContact O-N 3.36Å; R2127-N2150 CovalentContact NH1-O 1.62Å; R2127-N2150 PolarHBondContact NH1-O 3.44Å; R2127-N2150 PolarHBondContact NH2-O 3.13Å; N2150-R2152 PolarHBondContact ND2-NE 3.46Å; N2150-R2152 PolarHBondContact ND2-NH2 2.73Å; N2150-R2152 WeakPolarHBondContact O-CG 3.09Å; N2150-R2152 PolarHBondContact O-N 3.33Å | |
| 2151 | F | 85.3 | Confident | 86.3 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | 0 | 122.7 | 0 | -160.9 | -95.4 | 0 | 0 | 0 | 109.8 | V2093 P2095 G2096 G2097 L2099 I2148 D2155 D2156 V2177 L2179 | V2093-F2151 HydrophobicContact CB-CB 4.18Å; V2093-F2151 HydrophobicContact CB-CD1 3.62Å; V2093-F2151 HydrophobicContact CB-CD2 4.14Å; V2093-F2151 HydrophobicContact CB-CE1 3.97Å; V2093-F2151 HydrophobicContact CB-CE2 4.45Å; V2093-F2151 HydrophobicContact CB-CG 3.72Å; V2093-F2151 HydrophobicContact CB-CZ 4.37Å; V2093-F2151 HydrophobicContact CG1-CB 3.33Å; V2093-F2151 HydrophobicContact CG1-CD1 3.8Å; V2093-F2151 HydrophobicContact CG1-CD2 3.99Å; V2093-F2151 HydrophobicContact CG1-CG 3.45Å; V2093-F2151 VanDerWaalsContact CG1-CG 3.45Å; V2093-F2151 HydrophobicContact CG2-CD2 4.39Å; V2093-F2151 HydrophobicContact CG2-CE2 4.43Å; V2093-F2151 HydrophobicContact CG2-CG 4.46Å; P2095-F2151 CarbonylContact C-O 3.53Å; P2095-F2151 VanDerWaalsContact C-O 3.29Å; P2095-F2151 WeakPolarHBondContact CA-O 3.42Å; G2096-F2151 PolarHBondContact N-O 3.17Å; G2097-F2151 VanDerWaalsContact O-CB 3.24Å; G2097-F2151 WeakPolarHBondContact O-CB 3.4Å; G2097-F2151 PolarHBondContact O-N 3.31Å; L2099-F2151 HydrophobicContact CB-CD2 4.2Å; L2099-F2151 HydrophobicContact CB-CE2 4.47Å; L2099-F2151 HydrophobicContact CD2-CD2 4.47Å; L2099-F2151 HydrophobicContact CD2-CE2 3.92Å; I2148-F2151 HydrophobicContact CG2-CD2 4.16Å; F2151-D2155 HydrophobicContact CD1-CB 4.3Å; F2151-D2155 HydrophobicContact CD2-CB 3.91Å; F2151-D2155 HydrophobicContact CE1-CB 4.02Å; F2151-D2155 HydrophobicContact CE2-CB 3.6Å; F2151-D2155 HydrophobicContact CG-CB 4.23Å; F2151-D2155 VanDerWaalsContact CZ-C 3.42Å; F2151-D2155 HydrophobicContact CZ-CB 3.66Å; F2151-D2155 VanDerWaalsContact CZ-O 3.27Å; F2151-D2155 WeakPolarHBondContact CZ-O 3.42Å; F2151-D2156 HydrophobicContact CE1-CB 4.41Å; F2151-D2156 HydrophobicContact CZ-CB 4.46Å; F2151-V2177 HydrophobicContact CE1-CG1 4.28Å; F2151-V2177 HydrophobicContact CE2-CG1 3.75Å; F2151-V2177 HydrophobicContact CZ-CB 4.48Å; F2151-V2177 HydrophobicContact CZ-CG1 3.38Å; F2151-L2179 HydrophobicContact CD1-CD1 3.59Å; F2151-L2179 HydrophobicContact CE1-CB 4.45Å; F2151-L2179 HydrophobicContact CE1-CD1 3.85Å | |||
| 2152 | R | 84 | Confident | 86.6 | Confident | 134 Ų | 134 | 26.8 Ų | 26.8 | 51% | 0.506 | 13% | 0.127 | S | C | . | . | trans | -125.8 | 0 | -175 | -57.7 | 175.5 | -179.2 | 166 | 1 | 109.3 | N2150 G2154 D2155 | N2150-R2152 PolarHBondContact ND2-NE 3.46Å; N2150-R2152 PolarHBondContact ND2-NH2 2.73Å; N2150-R2152 WeakPolarHBondContact O-CG 3.09Å; N2150-R2152 PolarHBondContact O-N 3.33Å; R2152-G2154 PolarHBondContact O-N 3.16Å; R2152-D2155 PolarHBondContact N-OD2 3.15Å; R2152-D2155 VanDerWaalsContact O-CB 3.26Å; R2152-D2155 WeakPolarHBondContact O-CB 3.19Å; R2152-D2155 PolarHBondContact O-N 3.4Å | ||
| 2153 | E | 77.8 | Confident | 86.7 | Confident | 115 Ų | 115 | 26.8 Ų | 26.8 | 54% | 0.537 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -167.1 | 172.3 | -179.2 | 0 | 0 | 111.6 | K1940 L2179 | K1940-E2153 IonicContact NZ-OE1 3.64Å; E2153-L2179 HydrophobicContact CB-CD2 3.91Å; E2153-L2179 HydrophobicContact CG-CD2 4.15Å | |
| 2154 | G | 81.3 | Confident | 86.4 | Confident | 24 Ų | 24 | 25.6 Ų | 25.6 | 25% | 0.247 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111 | F2117 R2152 D2156 | F2117-G2154 WeakPolarHBondContact CZ-O 3.44Å; R2152-G2154 PolarHBondContact O-N 3.16Å; G2154-D2156 VanDerWaalsContact C-N 3.34Å; G2154-D2156 PolarHBondContact N-OD1 3.14Å; G2154-D2156 VanDerWaalsContact N-OD1 3.07Å | |
| 2155 | D | 88.4 | Confident | 85.8 | Confident | 16 Ų | 16 | 26.4 Ų | 26.4 | 9% | 0.086 | 13% | 0.127 | C | C | . | . | 0 | 0 | 0 | -70.5 | -20 | 0 | 0 | 0 | 110.1 | R2127 M2128 F2151 R2152 Y2159 | R2127-D2155 IonicContact CZ-OD2 3.76Å; R2127-D2155 VanDerWaalsContact CZ-OD2 3.22Å; R2127-D2155 IonicContact NH1-OD2 2.32Å; R2127-D2155 IonicContact NH2-OD1 3.96Å; R2127-D2155 PolarHBondContact NH2-OD1 2.96Å; R2127-D2155 IonicContact NH2-OD2 3.54Å; R2127-D2155 PolarHBondContact NH2-OD2 3.38Å; M2128-D2155 HydrophobicContact CE-CB 4.28Å; M2128-D2155 WeakPolarHBondContact CE-OD1 3.15Å; F2151-D2155 HydrophobicContact CD1-CB 4.3Å; F2151-D2155 HydrophobicContact CD2-CB 3.91Å; F2151-D2155 HydrophobicContact CE1-CB 4.02Å; F2151-D2155 HydrophobicContact CE2-CB 3.6Å; F2151-D2155 HydrophobicContact CG-CB 4.23Å; F2151-D2155 VanDerWaalsContact CZ-C 3.42Å; F2151-D2155 HydrophobicContact CZ-CB 3.66Å; F2151-D2155 VanDerWaalsContact CZ-O 3.27Å; F2151-D2155 WeakPolarHBondContact CZ-O 3.42Å; R2152-D2155 PolarHBondContact N-OD2 3.15Å; R2152-D2155 VanDerWaalsContact O-CB 3.26Å; R2152-D2155 WeakPolarHBondContact O-CB 3.19Å; R2152-D2155 PolarHBondContact O-N 3.4Å; D2155-Y2159 PolarHBondContact O-OH 3.32Å | |||
| 2156 | D | 89.2 | Confident | 84.8 | Confident | 6 Ų | 6 | 25.4 Ų | 25.4 | 3% | 0.032 | 13% | 0.131 | C | C | . | . | 0 | 133.8 | 0 | 53.7 | -46.2 | 0 | 0 | 0 | 111.4 | T1862 P1863 F2151 G2154 V2177 L2179 | T1862-D2156 WeakPolarHBondContact CA-OD2 3.46Å; T1862-D2156 WeakPolarHBondContact CB-OD2 3.34Å; T1862-D2156 VanDerWaalsContact OG1-CB 3.27Å; T1862-D2156 WeakPolarHBondContact OG1-CB 2.87Å; T1862-D2156 PolarHBondContact OG1-OD2 3.18Å; P1863-D2156 WeakPolarHBondContact CA-OD2 2.95Å; P1863-D2156 HydrophobicContact CB-CB 4.37Å; P1863-D2156 WeakPolarHBondContact CB-O 2.99Å; P1863-D2156 WeakPolarHBondContact CB-OD2 3Å; F2151-D2156 HydrophobicContact CE1-CB 4.41Å; F2151-D2156 HydrophobicContact CZ-CB 4.46Å; G2154-D2156 VanDerWaalsContact C-N 3.34Å; G2154-D2156 PolarHBondContact N-OD1 3.14Å; G2154-D2156 VanDerWaalsContact N-OD1 3.07Å; D2156-V2177 CarbonylContact C-O 3.45Å; D2156-V2177 VanDerWaalsContact CA-O 3.26Å; D2156-V2177 WeakPolarHBondContact CA-O 3.47Å; D2156-V2177 VanDerWaalsContact CB-O 3.29Å; D2156-V2177 WeakPolarHBondContact CB-O 3.46Å; D2156-L2179 HydrophobicContact CB-CB 4.14Å | |||
| 2157 | G | 89.9 | Confident | 83.6 | Confident | 2 Ų | 2 | 33 Ų | 33 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167 | -150.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | V2177 | G2157-V2177 PolarHBondContact N-O 2.4Å; G2157-V2177 PolarHBondContact O-N 3.4Å |
| 2158 | I | 87.9 | Confident | 83 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 0 | -176.4 | -63.6 | 171.8 | 0 | 0 | 0 | 108.9 | L1866 I1868 F2117 N2118 D2174 I2175 F2176 | L1866-I2158 HydrophobicContact CD1-CD1 3.46Å; L1866-I2158 VanDerWaalsContact CD1-CD1 3.46Å; L1866-I2158 HydrophobicContact CD1-CG1 3.52Å; L1866-I2158 HydrophobicContact CG-CD1 4.22Å; I1868-I2158 HydrophobicContact CD1-CD1 4.18Å; F2117-I2158 CarbonylContact C-O 3.56Å; F2117-I2158 WeakPolarHBondContact CA-O 3.36Å; N2118-I2158 PolarHBondContact N-O 2.87Å; N2118-I2158 PolarHBondContact OD1-N 2.83Å; I2158-D2174 HydrophobicContact CG2-CB 3.51Å; I2158-I2175 WeakPolarHBondContact CA-O 3.27Å; I2158-F2176 HydrophobicContact CD1-CD1 4.4Å; I2158-F2176 HydrophobicContact CD1-CE1 3.68Å; I2158-F2176 HydrophobicContact CD1-CZ 4.28Å; I2158-F2176 HydrophobicContact CG1-CD1 3.74Å; I2158-F2176 HydrophobicContact CG1-CE1 3.54Å; I2158-F2176 HydrophobicContact CG1-CZ 4.37Å |
| 2159 | Y | 89.7 | Confident | 82.4 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | 0 | 138.8 | 0 | -69.6 | -97.6 | 0 | 0 | 0 | 109.3 | L2101 R2116 F2117 L2122 L2146 I2148 D2155 I2175 V2177 | L2101-Y2159 HydrophobicContact CD1-CD1 4.27Å; L2101-Y2159 HydrophobicContact CD1-CD2 4.48Å; L2101-Y2159 HydrophobicContact CD1-CG 3.94Å; R2116-Y2159 VanDerWaalsContact O-CA 3.32Å; R2116-Y2159 WeakPolarHBondContact O-CA 2.78Å; F2117-Y2159 HydrophobicContact CB-CD1 4.3Å; F2117-Y2159 HydrophobicContact CB-CE1 3.99Å; F2117-Y2159 HydrophobicContact CD2-CD1 4.13Å; F2117-Y2159 HydrophobicContact CD2-CD2 4.21Å; F2117-Y2159 AromaticContact CD2-CE1 3.54Å; F2117-Y2159 HydrophobicContact CD2-CE1 3.54Å; F2117-Y2159 AromaticContact CD2-CE2 3.64Å; F2117-Y2159 HydrophobicContact CD2-CE2 3.64Å; F2117-Y2159 HydrophobicContact CD2-CG 4.43Å; F2117-Y2159 AromaticContact CD2-CZ 3.27Å; F2117-Y2159 WeakPolarHBondContact CD2-OH 3.39Å; F2117-Y2159 HydrophobicContact CE2-CE1 4.39Å; F2117-Y2159 AromaticContact CE2-CE2 3.84Å; F2117-Y2159 HydrophobicContact CE2-CE2 3.84Å; F2117-Y2159 AromaticContact CE2-CZ 3.69Å; F2117-Y2159 HydrophobicContact CG-CE1 4.09Å; L2122-Y2159 HydrophobicContact CD2-CE1 4.35Å; L2146-Y2159 HydrophobicContact CD2-CD1 3.93Å; L2146-Y2159 HydrophobicContact CD2-CE1 4.23Å; I2148-Y2159 HydrophobicContact CD1-CE1 3.65Å; I2148-Y2159 WeakPolarHBondContact CD1-OH 2.23Å; D2155-Y2159 PolarHBondContact O-OH 3.32Å; Y2159-I2175 PolarHBondContact N-O 2.77Å; Y2159-I2175 WeakPolarHBondContact O-CA 3.4Å; Y2159-I2175 WeakPolarHBondContact O-CB 2.66Å; Y2159-I2175 WeakPolarHBondContact O-CG1 3.18Å; Y2159-I2175 PolarHBondContact O-N 3.3Å; Y2159-V2177 HydrophobicContact CD2-CB 3.98Å; Y2159-V2177 HydrophobicContact CD2-CG2 3.42Å; Y2159-V2177 VanDerWaalsContact CD2-CG2 3.42Å; Y2159-V2177 HydrophobicContact CE2-CB 3.82Å; Y2159-V2177 HydrophobicContact CE2-CG2 3.73Å; Y2159-V2177 HydrophobicContact CG-CG2 4.44Å | |
| 2160 | N | 87.8 | Confident | 82.4 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 153.2 | 173.6 | 53.9 | 24.4 | 0 | 0 | 0 | 109.9 | R2116 S2172 | R2116-N2160 WeakPolarHBondContact CB-OD1 3.42Å; R2116-N2160 PolarHBondContact N-O 2.84Å; R2116-N2160 PolarHBondContact O-N 2.77Å; N2160-S2172 WeakPolarHBondContact CA-OG 3.36Å |
| 2161 | C | 88.2 | Confident | 82.4 | Confident | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.02 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 149.2 | 178.1 | 62.1 | 0 | 0 | 0 | 0 | 110.5 | C2103 I2113 I2114 W2115 S2172 | C2103-C2161 HydrophobicContact CB-CB 3.44Å; C2103-C2161 VanDerWaalsContact CB-CB 3.44Å; C2103-C2161 WeakPolarHBondContact CB-SG 3.41Å; C2103-C2161 WeakPolarHBondContact SG-CB 3.42Å; C2103-C2161 CovalentContact SG-SG 1.79Å; C2103-C2161 PolarHBondContact SG-SG 2.53Å; I2113-C2161 HydrophobicContact CG2-CB 4.09Å; I2114-C2161 CarbonylContact O-C 3.46Å; I2114-C2161 WeakPolarHBondContact O-CA 3.11Å; W2115-C2161 HydrophobicContact CD2-CB 4.13Å; W2115-C2161 HydrophobicContact CE3-CB 4.14Å; W2115-C2161 HydrophobicContact CH2-CB 4.41Å; W2115-C2161 HydrophobicContact CZ2-CB 4.43Å; W2115-C2161 HydrophobicContact CZ3-CB 4.26Å; C2161-S2172 PolarHBondContact N-OG 1.23Å; C2161-S2172 WeakPolarHBondContact O-CB 3.23Å; C2161-S2172 PolarHBondContact O-N 2.14Å; C2161-S2172 PolarHBondContact O-OG 2.11Å; C2161-S2172 WeakPolarHBondContact SG-CB 3.07Å; C2161-S2172 PolarHBondContact SG-OG 3.05Å |
| 2162 | E | 87.2 | Confident | 82.4 | Confident | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.019 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 125.6 | -176.9 | -175.9 | 178.9 | -170.9 | 0 | 0 | 109.4 | I2113 I2114 R2116 L2164 A2170 M2171 | I2113-E2162 CarbonylContact C-O 3.54Å; I2113-E2162 VanDerWaalsContact CA-O 3.28Å; I2113-E2162 WeakPolarHBondContact CA-O 3.1Å; I2114-E2162 PolarHBondContact N-O 3.31Å; I2114-E2162 PolarHBondContact O-N 3.01Å; R2116-E2162 IonicContact CZ-OE2 3.76Å; R2116-E2162 IonicContact NE-OE2 2.62Å; R2116-E2162 PolarHBondContact NE-OE2 2.81Å; R2116-E2162 IonicContact NH2-OE2 3.71Å; R2116-E2162 PolarHBondContact NH2-OE2 3.4Å; E2162-L2164 HydrophobicContact CG-CD1 4.14Å; E2162-L2164 HydrophobicContact CG-CG 4.05Å; E2162-A2170 CarbonylContact C-O 3.51Å; E2162-A2170 WeakPolarHBondContact CA-O 3.33Å; E2162-M2171 HydrophobicContact CG-CG 4.25Å |
| 2163 | A | 87.2 | Confident | 82.2 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 127.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | P2080 I2082 A2105 P2111 M2112 R2169 A2170 | P2080-A2163 HydrophobicContact CB-CB 4.05Å; I2082-A2163 HydrophobicContact CD1-CB 3.61Å; I2082-A2163 HydrophobicContact CG1-CB 4.48Å; A2105-A2163 HydrophobicContact CB-CB 3.51Å; P2111-A2163 HydrophobicContact CB-CB 3.87Å; P2111-A2163 HydrophobicContact CG-CB 4.2Å; M2112-A2163 CarbonylContact O-C 3.48Å; M2112-A2163 WeakPolarHBondContact O-CA 3.33Å; A2163-R2169 CarbonylContact O-C 3.55Å; A2163-R2169 WeakPolarHBondContact O-CA 2.76Å; A2163-A2170 PolarHBondContact N-O 3.31Å; A2163-A2170 PolarHBondContact O-N 2.78Å |
| 2164 | L | 80.1 | Confident | 82.4 | Confident | 14 Ų | 14 | 35.2 Ų | 35.2 | 7% | 0.073 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 0 | -171.4 | -74 | 134.3 | 0 | 0 | 0 | 109 | I1992 P2111 M2112 I2114 E2162 R2169 | I1992-L2164 HydrophobicContact CD1-CD2 4.27Å; I1992-L2164 HydrophobicContact CG1-CD1 4.38Å; P2111-L2164 CarbonylContact C-O 3.57Å; P2111-L2164 VanDerWaalsContact CA-O 3.27Å; P2111-L2164 WeakPolarHBondContact CA-O 2.78Å; M2112-L2164 HydrophobicContact CB-CB 4.49Å; M2112-L2164 PolarHBondContact N-O 3.01Å; M2112-L2164 PolarHBondContact O-N 2.77Å; I2114-L2164 HydrophobicContact CB-CD1 4.21Å; I2114-L2164 HydrophobicContact CD1-CD1 2.52Å; I2114-L2164 HydrophobicContact CD1-CG 4.06Å; I2114-L2164 HydrophobicContact CG1-CD1 3.51Å; E2162-L2164 HydrophobicContact CG-CD1 4.14Å; E2162-L2164 HydrophobicContact CG-CG 4.05Å; L2164-R2169 HydrophobicContact CD2-CB 4.06Å; L2164-R2169 HydrophobicContact CG-CB 4.5Å |
| 2165 | T | 77 | Confident | 82.7 | Confident | 20 Ų | 20 | 35.6 Ų | 35.6 | 12% | 0.123 | 18% | 0.176 | C | C | . | . | 0 | 176.4 | 0 | 60.3 | 0 | 0 | 0 | 0 | 109.8 | P2080 P2111 K2167 E2168 | P2080-T2165 HydrophobicContact CB-CG2 3.93Å; P2080-T2165 HydrophobicContact CG-CG2 3.84Å; P2111-T2165 HydrophobicContact CB-CG2 3.74Å; T2165-K2167 PolarHBondContact O-N 3.12Å; T2165-E2168 PolarHBondContact N-O 2.67Å; T2165-E2168 PolarHBondContact OG1-N 3.05Å; T2165-E2168 PolarHBondContact OG1-O 2.99Å | |||
| 2166 | S | 67.1 | Low | 82.6 | Confident | 54 Ų | 54 | 36.2 Ų | 36.2 | 38% | 0.378 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -57.6 | 0 | -172 | 46.3 | 0 | 0 | 0 | 0 | 111.5 | ||
| 2167 | K | 64.7 | Low | 82.6 | Confident | 158 Ų | 158 | 36 Ų | 36 | 69% | 0.687 | 18% | 0.176 | S | C | * | . | S | Bend | 0 | -22.1 | 0 | -75.7 | -168.7 | 177 | -179.7 | 0 | 110.3 | D2063 T2165 | D2063-K2167 PolarHBondContact O-NZ 2.58Å; T2165-K2167 PolarHBondContact O-N 3.12Å | |
| 2168 | E | 75.6 | Confident | 82.5 | Confident | 98 Ų | 98 | 36 Ų | 36 | 46% | 0.458 | 18% | 0.176 | S | C | . | . | trans | -129.2 | 161.3 | -172.3 | -67.2 | 178.9 | 176.6 | 0 | 0 | 110.4 | P2079 P2080 T2165 | P2079-E2168 WeakPolarHBondContact CA-OE2 2.82Å; P2079-E2168 WeakPolarHBondContact CB-OE2 2.69Å; P2080-E2168 HydrophobicContact CG-CB 4.08Å; T2165-E2168 PolarHBondContact N-O 2.67Å; T2165-E2168 PolarHBondContact OG1-N 3.05Å; T2165-E2168 PolarHBondContact OG1-O 2.99Å | ||
| 2169 | R | 76.9 | Confident | 82.3 | Confident | 98 Ų | 98 | 37 Ų | 37 | 37% | 0.37 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 153.7 | -179.9 | 55 | -175.4 | 161.6 | -173.6 | 2.6 | 109.3 | P1952 A2163 L2164 | P1952-R2169 CovalentContact CB-NH1 1.14Å; P1952-R2169 VanDerWaalsContact N-NH1 3.16Å; P1952-R2169 PolarHBondContact O-NH1 3.35Å; A2163-R2169 CarbonylContact O-C 3.55Å; A2163-R2169 WeakPolarHBondContact O-CA 2.76Å; L2164-R2169 HydrophobicContact CD2-CB 4.06Å; L2164-R2169 HydrophobicContact CG-CB 4.5Å |
| 2170 | A | 82 | Confident | 81.6 | Confident | 21 Ų | 21 | 38.2 Ų | 38.2 | 17% | 0.174 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 0 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | P2080 I2082 E2162 A2163 | P2080-A2170 HydrophobicContact CB-CB 4.35Å; P2080-A2170 WeakPolarHBondContact O-CB 3.32Å; I2082-A2170 HydrophobicContact CG1-CB 4.19Å; E2162-A2170 CarbonylContact C-O 3.51Å; E2162-A2170 WeakPolarHBondContact CA-O 3.33Å; A2163-A2170 PolarHBondContact N-O 3.31Å; A2163-A2170 PolarHBondContact O-N 2.78Å |
| 2171 | M | 82.5 | Confident | 80.4 | Confident | 90 Ų | 90 | 42.4 Ų | 42.4 | 44% | 0.443 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | 0 | 145.2 | 0 | -84.1 | -149.4 | -92 | 0 | 0 | 109.6 | W2119 E2162 | W2119-M2171 HydrophobicContact CE3-SD 4.43Å; W2119-M2171 HydrophobicContact CH2-CE 3.81Å; W2119-M2171 HydrophobicContact CH2-SD 3.72Å; W2119-M2171 HydrophobicContact CZ3-CE 3.55Å; W2119-M2171 HydrophobicContact CZ3-SD 3.35Å; W2119-M2171 WeakPolarHBondContact CZ3-SD 3.16Å; E2162-M2171 HydrophobicContact CG-CG 4.25Å | |
| 2172 | S | 85 | Confident | 80 | Confident | 6 Ų | 6 | 44.4 Ų | 44.4 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -83 | 168.4 | 175.9 | 72.5 | 0 | 0 | 0 | 0 | 110 | N2160 C2161 | N2160-S2172 WeakPolarHBondContact CA-OG 3.36Å; C2161-S2172 PolarHBondContact N-OG 1.23Å; C2161-S2172 WeakPolarHBondContact O-CB 3.23Å; C2161-S2172 PolarHBondContact O-N 2.14Å; C2161-S2172 PolarHBondContact O-OG 2.11Å; C2161-S2172 WeakPolarHBondContact SG-CB 3.07Å; C2161-S2172 PolarHBondContact SG-OG 3.05Å |
| 2173 | Q | 80 | Confident | 79.6 | Confident | 102 Ų | 102 | 46.5 Ų | 46.5 | 48% | 0.477 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -66.5 | 157.7 | 173.7 | -66.8 | 179.6 | -3.6 | 0 | 0 | 111.5 | Q2084 I2175 | Q2084-Q2173 VanDerWaalsContact NE2-CB 3.28Å; Q2084-Q2173 VanDerWaalsContact NE2-N 3.12Å; Q2173-I2175 PolarHBondContact O-N 2.64Å |
| 2174 | D | 82.9 | Confident | 79.2 | Confident | 22 Ų | 22 | 49.1 Ų | 49.1 | 12% | 0.118 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 125.3 | -180 | -72.5 | -10.8 | 0 | 0 | 0 | 110.5 | R1872 I2158 F2176 | R1872-D2174 IonicContact CZ-OD1 3.56Å; R1872-D2174 IonicContact CZ-OD2 3.05Å; R1872-D2174 IonicContact NE-OD2 2.41Å; R1872-D2174 IonicContact NH1-OD1 2.35Å; R1872-D2174 PolarHBondContact NH1-OD1 3.14Å; R1872-D2174 IonicContact NH1-OD2 3.95Å; R1872-D2174 IonicContact NH2-OD1 3.87Å; I2158-D2174 HydrophobicContact CG2-CB 3.51Å; D2174-F2176 HydrophobicContact CB-CE2 4.06Å; D2174-F2176 HydrophobicContact CB-CZ 4.26Å |
| 2175 | I | 86.7 | Confident | 79.2 | Confident | 32 Ų | 32 | 51.2 Ų | 51.2 | 16% | 0.164 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 113.3 | 174.3 | -57.5 | 168.5 | 0 | 0 | 0 | 109.5 | L2101 W2115 I2158 Y2159 Q2173 V2177 | L2101-I2175 HydrophobicContact CD1-CD1 4.44Å; L2101-I2175 HydrophobicContact CD1-CG2 4.48Å; L2101-I2175 HydrophobicContact CD2-CG2 4.13Å; W2115-I2175 HydrophobicContact CZ3-CD1 4.35Å; I2158-I2175 WeakPolarHBondContact CA-O 3.27Å; Y2159-I2175 PolarHBondContact N-O 2.77Å; Y2159-I2175 WeakPolarHBondContact O-CA 3.4Å; Y2159-I2175 WeakPolarHBondContact O-CB 2.66Å; Y2159-I2175 WeakPolarHBondContact O-CG1 3.18Å; Y2159-I2175 PolarHBondContact O-N 3.3Å; Q2173-I2175 PolarHBondContact O-N 2.64Å; I2175-V2177 HydrophobicContact CG2-CG2 4.26Å |
| 2176 | F | 87.3 | Confident | 79.3 | Confident | 29 Ų | 29 | 53.1 Ų | 53.1 | 13% | 0.127 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 123.8 | -176.4 | -72 | -84.9 | 0 | 0 | 0 | 109.8 | A1873 F1874 T2090 H2091 I2158 D2174 F2178 | A1873-F2176 WeakPolarHBondContact O-CZ 3.33Å; F1874-F2176 HydrophobicContact CB-CE1 3.95Å; F1874-F2176 HydrophobicContact CB-CZ 4.32Å; T2090-F2176 CarbonylContact C-O 3.31Å; T2090-F2176 VanDerWaalsContact CA-O 3.32Å; T2090-F2176 WeakPolarHBondContact CA-O 3.5Å; T2090-F2176 HydrophobicContact CG2-CB 4.07Å; H2091-F2176 PolarHBondContact N-O 3.03Å; I2158-F2176 HydrophobicContact CD1-CD1 4.4Å; I2158-F2176 HydrophobicContact CD1-CE1 3.68Å; I2158-F2176 HydrophobicContact CD1-CZ 4.28Å; I2158-F2176 HydrophobicContact CG1-CD1 3.74Å; I2158-F2176 HydrophobicContact CG1-CE1 3.54Å; I2158-F2176 HydrophobicContact CG1-CZ 4.37Å; D2174-F2176 HydrophobicContact CB-CE2 4.06Å; D2174-F2176 HydrophobicContact CB-CZ 4.26Å; F2176-F2178 HydrophobicContact CB-CE2 3.72Å; F2176-F2178 HydrophobicContact CB-CZ 4.18Å |
| 2177 | V | 89.1 | Confident | 80.1 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 118.6 | -178.7 | -179.3 | 0 | 0 | 0 | 0 | 108.2 | H2091 V2093 L2099 F2151 D2156 G2157 Y2159 I2175 | H2091-V2177 HydrophobicContact CB-CG1 4.34Å; H2091-V2177 HydrophobicContact CB-CG2 4.12Å; H2091-V2177 CarbonylContact O-C 3.34Å; H2091-V2177 WeakPolarHBondContact O-CA 3.22Å; V2093-V2177 HydrophobicContact CG2-CG1 3.94Å; L2099-V2177 HydrophobicContact CD2-CB 4.32Å; L2099-V2177 HydrophobicContact CD2-CG1 3.71Å; L2099-V2177 HydrophobicContact CD2-CG2 3.79Å; F2151-V2177 HydrophobicContact CE1-CG1 4.28Å; F2151-V2177 HydrophobicContact CE2-CG1 3.75Å; F2151-V2177 HydrophobicContact CZ-CB 4.48Å; F2151-V2177 HydrophobicContact CZ-CG1 3.38Å; D2156-V2177 CarbonylContact C-O 3.45Å; D2156-V2177 VanDerWaalsContact CA-O 3.26Å; D2156-V2177 WeakPolarHBondContact CA-O 3.47Å; D2156-V2177 VanDerWaalsContact CB-O 3.29Å; D2156-V2177 WeakPolarHBondContact CB-O 3.46Å; G2157-V2177 PolarHBondContact N-O 2.4Å; G2157-V2177 PolarHBondContact O-N 3.4Å; Y2159-V2177 HydrophobicContact CD2-CB 3.98Å; Y2159-V2177 HydrophobicContact CD2-CG2 3.42Å; Y2159-V2177 VanDerWaalsContact CD2-CG2 3.42Å; Y2159-V2177 HydrophobicContact CE2-CB 3.82Å; Y2159-V2177 HydrophobicContact CE2-CG2 3.73Å; Y2159-V2177 HydrophobicContact CG-CG2 4.44Å; I2175-V2177 HydrophobicContact CG2-CG2 4.26Å |
| 2178 | F | 88 | Confident | 81.2 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.009 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 143.9 | -178.5 | -64.9 | -87.1 | 0 | 0 | 0 | 110.3 | T1862 R1875 E1877 T2090 H2091 R2092 V2093 F2176 S2180 | T1862-F2178 HydrophobicContact CG2-CB 4.17Å; T1862-F2178 HydrophobicContact CG2-CD1 3.84Å; T1862-F2178 HydrophobicContact CG2-CG 4.5Å; R1875-F2178 HydrophobicContact CB-CZ 3.94Å; R1875-F2178 HydrophobicContact CG-CE1 4.37Å; R1875-F2178 HydrophobicContact CG-CZ 3.87Å; R1875-F2178 WeakPolarHBondContact O-CE1 3.43Å; E1877-F2178 HydrophobicContact CG-CD1 4.43Å; E1877-F2178 HydrophobicContact CG-CE1 4.37Å; T2090-F2178 HydrophobicContact CG2-CE2 3.85Å; H2091-F2178 PolarHBondContact O-N 3.35Å; R2092-F2178 CarbonylContact C-O 3.31Å; R2092-F2178 WeakPolarHBondContact CA-O 3.22Å; R2092-F2178 HydrophobicContact CG-CB 4.09Å; V2093-F2178 PolarHBondContact N-O 3.12Å; F2176-F2178 HydrophobicContact CB-CE2 3.72Å; F2176-F2178 HydrophobicContact CB-CZ 4.18Å; F2178-S2180 PolarHBondContact O-N 3.29Å |
| 2179 | L | 84 | Confident | 81.7 | Confident | 21 Ų | 21 | 41.5 Ų | 41.5 | 11% | 0.11 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 116.9 | 174.2 | -175.2 | 70.7 | 0 | 0 | 0 | 109.8 | T1862 P2095 F2151 E2153 D2156 | T1862-L2179 PolarHBondContact OG1-N 2.98Å; P2095-L2179 HydrophobicContact CB-CD1 4.39Å; P2095-L2179 HydrophobicContact CG-CD1 3.84Å; P2095-L2179 HydrophobicContact CG-CD2 4.45Å; P2095-L2179 HydrophobicContact CG-CG 4.22Å; F2151-L2179 HydrophobicContact CD1-CD1 3.59Å; F2151-L2179 HydrophobicContact CE1-CB 4.45Å; F2151-L2179 HydrophobicContact CE1-CD1 3.85Å; E2153-L2179 HydrophobicContact CB-CD2 3.91Å; E2153-L2179 HydrophobicContact CG-CD2 4.15Å; D2156-L2179 HydrophobicContact CB-CB 4.14Å |
| 2180 | S | 74.5 | Confident | 82.1 | Confident | 26 Ų | 26 | 36.8 Ų | 36.8 | 18% | 0.182 | 20% | 0.203 | C | C | . | . | trans | -67.5 | 135.2 | 178.4 | -175.2 | 0 | 0 | 0 | 0 | 111.4 | V2093 P2095 F2178 | V2093-S2180 PolarHBondContact O-N 2.51Å; P2095-S2180 WeakPolarHBondContact CD-O 3.07Å; F2178-S2180 PolarHBondContact O-N 3.29Å | ||
| 2181 | P | 62.8 | Low | 82.1 | Confident | 90 Ų | 90 | 38.3 Ų | 38.3 | 58% | 0.584 | 21% | 0.206 | S | C | * | . | trans | -58 | 0 | 177.4 | 2.9 | -1 | 0 | 0 | 0 | 111.8 | V1879 | V1879-P2181 HydrophobicContact CB-CG 4.33Å; V1879-P2181 HydrophobicContact CG1-CB 4.42Å; V1879-P2181 HydrophobicContact CG1-CG 3.97Å |
Retrieved 2,181 of 2,181 residues in 3109.8 ms
(Link to these results)