| 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 | 53.8 | Low | 56.5 | Low | 239 Ų | 239 | 169.5 Ų | 169.5 | 100% | 1.177 | 85% | 0.853 | S | S | * | * | 0 | 127.4 | 0 | -80.3 | 178.6 | 167.3 | 0 | 0 | 108.8 | |||||
| 2 | P | 69.6 | Low | 56.6 | Low | 119 Ų | 119 | 164.7 Ų | 164.7 | 77% | 0.773 | 84% | 0.842 | S | S | * | * | trans | -67.6 | 142.6 | 169.4 | 29.1 | -31.7 | 0 | 0 | 0 | 109.4 | R4 | P2-R4 PolarHBondContact O-N 3.33Š| ||
| 3 | P | 67.3 | Low | 56.9 | Low | 125 Ų | 125 | 161 Ų | 161 | 81% | 0.812 | 83% | 0.832 | S | S | * | * | trans | -63.6 | 124 | 176.4 | 25.1 | -31.6 | 0 | 0 | 0 | 109.7 | K5 | P3-K5 PolarHBondContact O-N 3.02Å; P3-K5 VanDerWaalsContact O-N 3.12Å | ||
| 4 | R | 56.7 | Low | 57.3 | Low | 248 Ų | 248 | 157.4 Ų | 157.4 | 94% | 0.936 | 82% | 0.82 | S | S | * | * | trans | -56.7 | 114.6 | 169.3 | -83.7 | 179.3 | 167.2 | 175.5 | -4.1 | 108 | P2 G6 | P2-R4 PolarHBondContact O-N 3.33Å; R4-G6 PolarHBondContact O-N 3.18Å | ||
| 5 | K | 58.1 | Low | 57.6 | Low | 211 Ų | 211 | 151.7 Ų | 151.7 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | trans | -58.7 | 109.7 | 165.5 | -89 | 179.9 | 175 | 175.9 | 0 | 107.3 | P3 | P3-K5 PolarHBondContact O-N 3.02Å; P3-K5 VanDerWaalsContact O-N 3.12Å | ||
| 6 | G | 51.1 | Low | 58.3 | Low | 67 Ų | 67 | 152.6 Ų | 152.6 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | trans | -54.9 | 138.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110 | R4 K8 | R4-G6 PolarHBondContact O-N 3.18Å; G6-K8 PolarHBondContact O-N 3.17Å | ||
| 7 | K | 48.1 | Very low | 59 | Low | 198 Ų | 198 | 144.9 Ų | 144.9 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | trans | -52.3 | 121.2 | 166.7 | -83.8 | 179 | 171.2 | -179.3 | 0 | 107.2 | D9 | K7-D9 PolarHBondContact O-N 3.24Š| ||
| 8 | K | 54.1 | Low | 59.8 | Low | 193 Ų | 193 | 142.5 Ų | 142.5 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | trans | -71.6 | 115.4 | 163.2 | -81.9 | -177.8 | 174.2 | -176.5 | 0 | 105.5 | G6 D10 | G6-K8 PolarHBondContact O-N 3.17Å; K8-D10 PolarHBondContact O-N 3.12Å | ||
| 9 | D | 48.7 | Very low | 60.6 | Low | 140 Ų | 140 | 142.6 Ų | 142.6 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | trans | -62.2 | 114.5 | 169.8 | -60.5 | -48.3 | 0 | 0 | 0 | 107.6 | K7 Q11 | K7-D9 PolarHBondContact O-N 3.24Å; D9-Q11 PolarHBondContact O-N 2.8Å | ||
| 10 | D | 54.4 | Low | 61.4 | Low | 160 Ų | 160 | 139 Ų | 139 | 86% | 0.856 | 75% | 0.747 | S | S | * | * | trans | -67.9 | 84.6 | 175.1 | -72.4 | -40.3 | 0 | 0 | 0 | 108.3 | K8 | K8-D10 PolarHBondContact O-N 3.12Š| ||
| 11 | Q | 60 | Low | 62.4 | Low | 165 Ų | 165 | 135.7 Ų | 135.7 | 77% | 0.771 | 73% | 0.733 | S | S | * | * | trans | -61.9 | 138.4 | 168.5 | -66.9 | -170.9 | 0.6 | 0 | 0 | 108.5 | D9 V13 | D9-Q11 PolarHBondContact O-N 2.8Å; Q11-V13 PolarHBondContact O-N 3.21Å | ||
| 12 | P | 57.4 | Low | 63.6 | Low | 111 Ų | 111 | 130.8 Ų | 130.8 | 72% | 0.721 | 72% | 0.719 | S | S | * | * | trans | -56.9 | 129 | 176.2 | 24.5 | -32.7 | 0 | 0 | 0 | 108.6 | V14 | P12-V14 VanDerWaalsContact C-N 3.27Å; P12-V14 PolarHBondContact O-N 2.83Å | ||
| 13 | V | 60.4 | Low | 64.2 | Low | 117 Ų | 117 | 128.8 Ų | 128.8 | 71% | 0.709 | 72% | 0.72 | S | S | * | * | trans | -67 | 90.7 | 177.2 | -178.5 | 0 | 0 | 0 | 0 | 107.7 | Q11 S15 | Q11-V13 PolarHBondContact O-N 3.21Å; V13-S15 PolarHBondContact O-N 3.06Å | ||
| 14 | V | 62.7 | Low | 65.1 | Low | 110 Ų | 110 | 128.4 Ų | 128.4 | 67% | 0.667 | 71% | 0.707 | S | S | * | * | trans | -75.3 | 94.2 | 174.1 | -177.6 | 0 | 0 | 0 | 0 | 107.3 | P12 L16 | P12-V14 VanDerWaalsContact C-N 3.27Å; P12-V14 PolarHBondContact O-N 2.83Å; V14-L16 HydrophobicContact CG1-CD2 4.12Å; V14-L16 PolarHBondContact O-N 3.22Å | ||
| 15 | S | 61.7 | Low | 66.6 | Low | 72 Ų | 72 | 118.8 Ų | 118.8 | 50% | 0.503 | 68% | 0.676 | S | S | . | * | trans | -74 | 107.8 | 169.8 | 58.4 | 0 | 0 | 0 | 0 | 108.9 | V13 A17 | V13-S15 PolarHBondContact O-N 3.06Å; S15-A17 PolarHBondContact O-N 3.16Å; S15-A17 VanDerWaalsContact O-N 3.16Å | ||
| 16 | L | 68.4 | Low | 68.2 | Low | 166 Ų | 166 | 113 Ų | 113 | 87% | 0.869 | 65% | 0.648 | S | S | * | * | trans | -70.7 | -1.9 | 176.5 | -63.2 | 170.9 | 0 | 0 | 0 | 113.6 | V14 | V14-L16 HydrophobicContact CG1-CD2 4.12Å; V14-L16 PolarHBondContact O-N 3.22Å | ||
| 17 | A | 69.8 | Low | 70.2 | Confident | 23 Ų | 23 | 113.5 Ų | 113.5 | 19% | 0.19 | 63% | 0.631 | C | S | . | * | S | Bend | trans | -75.8 | 140.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S15 V87 | S15-A17 PolarHBondContact O-N 3.16Å; S15-A17 VanDerWaalsContact O-N 3.16Å; A17-V87 WeakPolarHBondContact CB-O 3.5Å |
| 18 | P | 74.1 | Confident | 72.4 | Confident | 101 Ų | 101 | 104.1 Ų | 104.1 | 66% | 0.656 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -60 | 141.3 | 169.1 | 26.3 | -33 | 0 | 0 | 0 | 110.2 | L20 | P18-L20 PolarHBondContact O-N 3.49Š|
| 19 | V | 74.9 | Confident | 74.4 | Confident | 145 Ų | 145 | 95.2 Ų | 95.2 | 88% | 0.879 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 123.7 | 178.7 | -178 | 0 | 0 | 0 | 0 | 109.1 | ||
| 20 | L | 76.5 | Confident | 76.7 | Confident | 69 Ų | 69 | 88.6 Ų | 88.6 | 36% | 0.361 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -89.7 | 143.3 | 175 | -76.4 | 161.3 | 0 | 0 | 0 | 110.5 | P18 Q24 R26 | P18-L20 PolarHBondContact O-N 3.49Å; L20-Q24 HydrophobicContact CB-CB 4.45Å; L20-Q24 HydrophobicContact CD2-CB 4.33Å; L20-R26 HydrophobicContact CD1-CB 3.66Å; L20-R26 HydrophobicContact CD1-CG 4.25Å |
| 21 | P | 81.8 | Confident | 78.8 | Confident | 70 Ų | 70 | 83.6 Ų | 83.6 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 150.6 | 171 | -23.4 | 33.2 | 0 | 0 | 0 | 112.3 | G23 Q24 | P21-G23 PolarHBondContact O-N 3.3Å; P21-Q24 HydrophobicContact CB-CG 4.48Å; P21-Q24 PolarHBondContact O-N 3.15Å |
| 22 | P | 79.3 | Confident | 80.5 | Confident | 137 Ų | 137 | 75.8 Ų | 75.8 | 89% | 0.89 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 131.5 | 176.2 | 25.2 | -33.5 | 0 | 0 | 0 | 110.4 | ||
| 23 | G | 81.9 | Confident | 82.4 | Confident | 76 Ų | 76 | 72.8 Ų | 72.8 | 78% | 0.784 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.5 | -17.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | P21 | P21-G23 PolarHBondContact O-N 3.3Š|
| 24 | Q | 86 | Confident | 84.1 | Confident | 118 Ų | 118 | 67.2 Ų | 67.2 | 55% | 0.551 | 39% | 0.394 | S | S | * | . | trans | -79.6 | 147.3 | 174 | -68.2 | -170.2 | 12.7 | 0 | 0 | 111.9 | L20 P21 | L20-Q24 HydrophobicContact CB-CB 4.45Å; L20-Q24 HydrophobicContact CD2-CB 4.33Å; P21-Q24 HydrophobicContact CB-CG 4.48Å; P21-Q24 PolarHBondContact O-N 3.15Å | ||
| 25 | V | 88.9 | Confident | 85.7 | Confident | 45 Ų | 45 | 62.6 Ų | 62.6 | 27% | 0.273 | 37% | 0.367 | S | S | . | . | trans | -114.7 | 137.5 | 177.5 | -68.7 | 0 | 0 | 0 | 0 | 110 | F27 T90 A91 K124 | V25-F27 HydrophobicContact CB-CE2 4.45Å; V25-F27 HydrophobicContact CG2-CD2 3.88Å; V25-F27 HydrophobicContact CG2-CE2 3.28Å; V25-F27 HydrophobicContact CG2-CZ 3.78Å; V25-T90 VanDerWaalsContact CA-OG1 3.31Å; V25-T90 WeakPolarHBondContact CA-OG1 3.46Å; V25-A91 HydrophobicContact CB-CB 3.99Å; V25-A91 HydrophobicContact CG2-CB 4.33Å; V25-K124 HydrophobicContact CG1-CD 3.66Å | ||
| 26 | R | 91.2 | Very high | 87.3 | Confident | 91 Ų | 91 | 64.5 Ų | 64.5 | 34% | 0.343 | 37% | 0.366 | S | S | . | . | trans | -93.6 | 112.9 | 172.5 | -162.8 | 173.3 | -176.1 | -175.4 | 1.5 | 108.2 | L20 G88 I89 T90 A91 | L20-R26 HydrophobicContact CD1-CB 3.66Å; L20-R26 HydrophobicContact CD1-CG 4.25Å; R26-G88 WeakPolarHBondContact CB-O 3.45Å; R26-I89 WeakPolarHBondContact O-CG2 3.28Å; R26-T90 PolarHBondContact N-OG1 3.33Å; R26-T90 PolarHBondContact O-N 2.84Å; R26-T90 VanDerWaalsContact O-N 3.16Å; R26-A91 PolarHBondContact O-N 3.32Å | ||
| 27 | F | 93.1 | Very high | 88.6 | Confident | 76 Ų | 76 | 62.5 Ų | 62.5 | 33% | 0.333 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 131.8 | 178.4 | -78.2 | -82 | 0 | 0 | 0 | 111.4 | V25 L46 A91 H93 | V25-F27 HydrophobicContact CB-CE2 4.45Å; V25-F27 HydrophobicContact CG2-CD2 3.88Å; V25-F27 HydrophobicContact CG2-CE2 3.28Å; V25-F27 HydrophobicContact CG2-CZ 3.78Å; F27-L46 HydrophobicContact CB-CD2 3.94Å; F27-A91 CarbonylContact C-O 3.44Å; F27-A91 WeakPolarHBondContact CA-O 3.32Å; F27-A91 HydrophobicContact CD1-CB 3.52Å; F27-A91 HydrophobicContact CE1-CB 3.48Å; F27-A91 VanDerWaalsContact CE1-CB 3.48Å; F27-A91 HydrophobicContact CE2-CB 4.49Å; F27-A91 HydrophobicContact CG-CB 4.05Å; F27-A91 HydrophobicContact CZ-CB 4Å; F27-H93 AromaticContact CD1-CD2 3.63Å; F27-H93 AromaticContact CD1-CE1 3.82Å; F27-H93 AromaticContact CD1-NE2 3.31Å; F27-H93 VanDerWaalsContact CD1-NE2 3.31Å; F27-H93 WeakPolarHBondContact CD1-NE2 3.3Å; F27-H93 AromaticContact CE1-CE1 3.81Å; F27-H93 AromaticContact CE1-NE2 3.74Å; F27-H93 AromaticContact CG-NE2 3.69Å |
| 28 | G | 94.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 179.5 | 157.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | T44 A91 L92 H93 | G28-T44 WeakPolarHBondContact CA-O 3.37Å; G28-A91 PolarHBondContact N-O 2.72Å; G28-L92 CarbonylContact O-C 3.46Å; G28-L92 WeakPolarHBondContact O-CA 3.45Å; G28-H93 PolarHBondContact O-N 3.44Å |
| 29 | V | 96.7 | Very high | 90.9 | Very high | 7 Ų | 7 | 57.6 Ų | 57.6 | 4% | 0.042 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 117.7 | 174.8 | -174.2 | 0 | 0 | 0 | 0 | 109.2 | V43 T44 L46 H93 K95 | V29-V43 CarbonylContact O-C 3.52Å; V29-V43 WeakPolarHBondContact O-CA 3.39Å; V29-T44 PolarHBondContact N-O 3.18Å; V29-T44 PolarHBondContact O-N 3.36Å; V29-T44 PolarHBondContact O-OG1 3.46Å; V29-L46 HydrophobicContact CG2-CD2 4.18Å; V29-H93 CarbonylContact C-O 3.58Å; V29-H93 WeakPolarHBondContact CA-O 3.38Å; V29-H93 HydrophobicContact CG1-CB 4.5Å; V29-H93 HydrophobicContact CG2-CB 4.3Å; V29-K95 HydrophobicContact CG1-CB 4.48Å; V29-K95 HydrophobicContact CG1-CD 3.8Å; V29-K95 HydrophobicContact CG1-CG 3.97Å |
| 30 | A | 96.8 | Very high | 92 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 104.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | I32 H42 V43 L92 H93 K95 L118 | A30-I32 PolarHBondContact O-N 3.25Å; A30-H42 CarbonylContact C-O 3.56Å; A30-H42 WeakPolarHBondContact CA-O 3.17Å; A30-V43 HydrophobicContact CB-CG2 4.18Å; A30-L92 HydrophobicContact CB-CB 4.28Å; A30-L92 HydrophobicContact CB-CD1 4.21Å; A30-H93 PolarHBondContact N-O 3.19Å; A30-K95 PolarHBondContact O-N 3.04Å; A30-L118 HydrophobicContact CB-CD1 4.28Å |
| 31 | H | 97.4 | Very high | 92.9 | Very high | 55 Ų | 55 | 50.8 Ų | 50.8 | 26% | 0.255 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 104.9 | 167.9 | -62.8 | -88.8 | 0 | 0 | 0 | 109.3 | H42 T44 | H31-H42 HydrophobicContact CB-CB 4.22Å; H31-H42 PolarHBondContact N-O 3.43Å; H31-H42 PolarHBondContact O-N 3.39Å; H31-T44 PolarHBondContact NE2-OG1 3.03Å |
| 32 | I | 96.8 | Very high | 93.7 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 104 | 177.3 | -57.4 | 178.6 | 0 | 0 | 0 | 107.8 | A30 F40 I94 K95 L96 R97 A114 L115 L118 | A30-I32 PolarHBondContact O-N 3.25Å; I32-F40 WeakPolarHBondContact CA-O 2.95Å; I32-I94 HydrophobicContact CD1-CG2 3.85Å; I32-I94 HydrophobicContact CG1-CG2 4.38Å; I32-K95 PolarHBondContact N-O 3.09Å; I32-L96 HydrophobicContact CB-CD1 3.99Å; I32-L96 HydrophobicContact CG2-CD1 3.81Å; I32-R97 PolarHBondContact O-N 3.02Å; I32-A114 HydrophobicContact CD1-CB 4.45Å; I32-A114 HydrophobicContact CG2-CB 4.23Å; I32-L115 HydrophobicContact CD1-CB 4.32Å; I32-L118 HydrophobicContact CD1-CD1 4.08Å |
| 33 | F | 97.2 | Very high | 94.5 | Very high | 47 Ų | 47 | 42.8 Ų | 42.8 | 21% | 0.206 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 111.8 | 172.6 | 175.3 | -102.1 | 0 | 0 | 0 | 109.4 | T39 F40 R97 | F33-T39 CarbonylContact O-C 3.53Å; F33-T39 WeakPolarHBondContact O-CA 3.44Å; F33-F40 HydrophobicContact CB-CB 4.1Å; F33-F40 AromaticContact CD1-CD2 3.68Å; F33-F40 HydrophobicContact CD1-CD2 3.68Å; F33-F40 HydrophobicContact CD1-CE2 4.17Å; F33-F40 HydrophobicContact CD1-CG 4.31Å; F33-F40 HydrophobicContact CE1-CD2 4.43Å; F33-F40 PolarHBondContact N-O 2.89Å; F33-F40 PolarHBondContact O-N 3.09Å; F33-R97 CarbonylContact C-O 3.59Å; F33-R97 WeakPolarHBondContact CA-O 3.35Å; F33-R97 HydrophobicContact CD2-CB 4.17Å; F33-R97 HydrophobicContact CD2-CG 3.89Å; F33-R97 HydrophobicContact CE2-CG 4.49Å |
| 34 | A | 96.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 103.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | T39 R97 P107 G108 A111 | A34-T39 HydrophobicContact CB-CG2 4.49Å; A34-R97 PolarHBondContact N-O 3.32Å; A34-P107 HydrophobicContact CB-CB 4.41Å; A34-G108 PolarHBondContact O-N 3.45Å; A34-A111 HydrophobicContact CB-CB 3.6Å |
| 35 | S | 95.8 | Very high | 95.6 | Very high | 14 Ų | 14 | 35.6 Ų | 35.6 | 10% | 0.098 | 17% | 0.17 | C | C | . | . | trans | -102.6 | 174 | 171.8 | 76.1 | 0 | 0 | 0 | 0 | 110.5 | N37 D38 G108 | S35-N37 PolarHBondContact O-N 2.8Å; S35-N37 PolarHBondContact OG-N 2.82Å; S35-D38 PolarHBondContact N-O 3.37Å; S35-D38 PolarHBondContact OG-N 2.67Å; S35-D38 PolarHBondContact OG-O 3.18Å; S35-G108 WeakPolarHBondContact O-CA 3.43Å | ||
| 36 | F | 95.1 | Very high | 95.8 | Very high | 111 Ų | 111 | 38.9 Ų | 38.9 | 49% | 0.487 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -74.7 | -11.1 | 174.1 | -73.9 | -81.3 | 0 | 0 | 0 | 113.6 | A68 T104 | F36-A68 VanDerWaalsContact O-CB 3.26Å; F36-A68 WeakPolarHBondContact O-CB 3.36Å; F36-T104 HydrophobicContact CD2-CG2 4.44Å; F36-T104 HydrophobicContact CE2-CG2 4.02Å; F36-T104 WeakPolarHBondContact CE2-OG1 3.48Å |
| 37 | N | 95.3 | Very high | 96 | Very high | 125 Ų | 125 | 38.1 Ų | 38.1 | 67% | 0.668 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -112.6 | -28 | -176.1 | -65.1 | 4 | 0 | 0 | 0 | 112.8 | S35 E67 A68 | S35-N37 PolarHBondContact O-N 2.8Å; S35-N37 PolarHBondContact OG-N 2.82Å; N37-E67 VanDerWaalsContact O-CB 3.28Å; N37-E67 WeakPolarHBondContact O-CB 3.31Å; N37-A68 PolarHBondContact O-N 3.11Å |
| 38 | D | 96.4 | Very high | 95.9 | Very high | 19 Ų | 19 | 36.2 Ų | 36.2 | 10% | 0.102 | 20% | 0.196 | C | C | . | . | trans | -156.1 | 162.6 | 176.8 | -167.1 | 12.4 | 0 | 0 | 0 | 111.2 | S35 F40 G57 G58 E67 | S35-D38 PolarHBondContact N-O 3.37Å; S35-D38 PolarHBondContact OG-N 2.67Å; S35-D38 PolarHBondContact OG-O 3.18Å; D38-F40 HydrophobicContact CB-CE2 3.99Å; D38-F40 WeakPolarHBondContact OD2-CE2 3.36Å; D38-G57 PolarHBondContact OD1-N 3.44Å; D38-G58 PolarHBondContact OD1-N 2.85Å; D38-E67 HydrophobicContact CB-CB 4.23Å | ||
| 39 | T | 96.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 131.9 | 178 | 56 | 0 | 0 | 0 | 0 | 110.6 | F33 A34 T56 G57 A73 | F33-T39 CarbonylContact O-C 3.53Å; F33-T39 WeakPolarHBondContact O-CA 3.44Å; A34-T39 HydrophobicContact CB-CG2 4.49Å; T39-T56 CarbonylContact O-C 3.59Å; T39-T56 VanDerWaalsContact O-CA 3.25Å; T39-T56 WeakPolarHBondContact O-CA 3.33Å; T39-G57 PolarHBondContact O-N 3.32Å; T39-A73 HydrophobicContact CG2-CB 4.22Å |
| 40 | F | 97.3 | Very high | 95.7 | Very high | 71 Ų | 71 | 53.1 Ų | 53.1 | 31% | 0.311 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 132.4 | 179.6 | -66.2 | -121.6 | 0 | 0 | 0 | 108.6 | I32 F33 D38 T56 | I32-F40 WeakPolarHBondContact CA-O 2.95Å; F33-F40 HydrophobicContact CB-CB 4.1Å; F33-F40 AromaticContact CD1-CD2 3.68Å; F33-F40 HydrophobicContact CD1-CD2 3.68Å; F33-F40 HydrophobicContact CD1-CE2 4.17Å; F33-F40 HydrophobicContact CD1-CG 4.31Å; F33-F40 HydrophobicContact CE1-CD2 4.43Å; F33-F40 PolarHBondContact N-O 2.89Å; F33-F40 PolarHBondContact O-N 3.09Å; D38-F40 HydrophobicContact CB-CE2 3.99Å; D38-F40 WeakPolarHBondContact OD2-CE2 3.36Å; F40-T56 HydrophobicContact CD1-CG2 3.33Å; F40-T56 HydrophobicContact CD2-CG2 4.33Å; F40-T56 HydrophobicContact CE1-CG2 3.37Å; F40-T56 HydrophobicContact CE2-CG2 4.36Å; F40-T56 HydrophobicContact CG-CG2 3.83Å; F40-T56 HydrophobicContact CZ-CG2 3.89Å |
| 41 | V | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 108.1 | 168.8 | -171 | 0 | 0 | 0 | 0 | 106.8 | V55 A76 A77 V80 A114 L118 | V41-V55 PolarHBondContact N-O 3.38Å; V41-V55 PolarHBondContact O-N 2.85Å; V41-V55 VanDerWaalsContact O-O 3.14Å; V41-A76 HydrophobicContact CG2-CB 4.31Å; V41-A77 HydrophobicContact CG2-CB 4.42Å; V41-V80 HydrophobicContact CB-CG2 4.01Å; V41-V80 HydrophobicContact CG1-CB 4.05Å; V41-V80 HydrophobicContact CG1-CG1 3.85Å; V41-V80 HydrophobicContact CG1-CG2 3.86Å; V41-A114 HydrophobicContact CG2-CB 3.99Å; V41-L118 HydrophobicContact CG1-CD1 4.21Å; V41-L118 HydrophobicContact CG1-CD2 4.49Å |
| 42 | H | 97.5 | Very high | 95.4 | Very high | 39 Ų | 39 | 57.9 Ų | 57.9 | 18% | 0.181 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 118.9 | -175.6 | 178.2 | -134.2 | 0 | 0 | 0 | 109.8 | A30 H31 T44 T51 C53 R54 | A30-H42 CarbonylContact C-O 3.56Å; A30-H42 WeakPolarHBondContact CA-O 3.17Å; H31-H42 HydrophobicContact CB-CB 4.22Å; H31-H42 PolarHBondContact N-O 3.43Å; H31-H42 PolarHBondContact O-N 3.39Å; H42-T44 WeakPolarHBondContact CE1-CG2 3.37Å; H42-T51 WeakPolarHBondContact NE2-CB 3.3Å; H42-T51 WeakPolarHBondContact NE2-CG2 3.48Å; H42-C53 PolarHBondContact CD2-O 2.68Å; H42-R54 HydrophobicContact CB-CG 4.32Å |
| 43 | V | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 129 | 179.3 | -179.3 | 0 | 0 | 0 | 0 | 110 | V29 A30 I52 C53 V80 I89 L92 | V29-V43 CarbonylContact O-C 3.52Å; V29-V43 WeakPolarHBondContact O-CA 3.39Å; A30-V43 HydrophobicContact CB-CG2 4.18Å; V43-I52 PolarHBondContact O-N 3.24Å; V43-C53 PolarHBondContact N-O 3.03Å; V43-C53 PolarHBondContact O-N 2.96Å; V43-V80 HydrophobicContact CG2-CG1 3.4Å; V43-V80 VanDerWaalsContact CG2-CG1 3.4Å; V43-I89 HydrophobicContact CG1-CD1 4.1Å; V43-L92 HydrophobicContact CG1-CD2 3.6Å; V43-L92 HydrophobicContact CG2-CD1 4.42Å; V43-L92 HydrophobicContact CG2-CD2 4.26Å |
| 44 | T | 96.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 173.5 | 176.6 | 62.4 | 0 | 0 | 0 | 0 | 111.2 | G28 V29 H31 H42 E50 T51 | G28-T44 WeakPolarHBondContact CA-O 3.37Å; V29-T44 PolarHBondContact N-O 3.18Å; V29-T44 PolarHBondContact O-N 3.36Å; V29-T44 PolarHBondContact O-OG1 3.46Å; H31-T44 PolarHBondContact NE2-OG1 3.03Å; H42-T44 WeakPolarHBondContact CE1-CG2 3.37Å; T44-E50 CarbonylContact C-O 3.58Å; T44-E50 WeakPolarHBondContact CA-O 3.25Å; T44-E50 VanDerWaalsContact CB-O 3.3Å; T44-E50 WeakPolarHBondContact CB-O 3.43Å; T44-T51 HydrophobicContact CG2-CG2 4.31Å |
| 45 | D | 94 | Very high | 95.2 | Very high | 43 Ų | 43 | 64 Ų | 64 | 23% | 0.23 | 32% | 0.318 | C | S | . | . | trans | -65.5 | 177.5 | 161.7 | 78.8 | -52.2 | 0 | 0 | 0 | 112 | S47 G48 R49 E50 | D45-S47 VanDerWaalsContact C-N 3.3Å; D45-S47 VanDerWaalsContact CG-OG 3.28Å; D45-S47 PolarHBondContact O-N 3.12Å; D45-S47 PolarHBondContact OD1-OG 3.18Å; D45-S47 WeakPolarHBondContact OD2-CB 3.18Å; D45-S47 PolarHBondContact OD2-N 2.92Å; D45-S47 PolarHBondContact OD2-OG 3.31Å; D45-G48 PolarHBondContact O-N 3.06Å; D45-G48 PolarHBondContact OD1-N 3.47Å; D45-G48 VanDerWaalsContact OD1-N 3.14Å; D45-R49 PolarHBondContact OD1-N 3.5Å; D45-E50 HydrophobicContact CB-CB 4.42Å; D45-E50 PolarHBondContact N-O 3.05Å; D45-E50 PolarHBondContact OD1-N 3.43Å | ||
| 46 | L | 93.5 | Very high | 95.3 | Very high | 113 Ų | 113 | 64.2 Ų | 64.2 | 59% | 0.592 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -30.9 | -179.7 | -69.8 | 175.6 | 0 | 0 | 0 | 113.3 | F27 V29 G48 | F27-L46 HydrophobicContact CB-CD2 3.94Å; V29-L46 HydrophobicContact CG2-CD2 4.18Å; L46-G48 VanDerWaalsContact C-N 3.27Å |
| 47 | S | 94.5 | Very high | 95.2 | Very high | 75 Ų | 75 | 59 Ų | 59 | 52% | 0.524 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -21.3 | 177.1 | 77.9 | 0 | 0 | 0 | 0 | 112.5 | D45 R49 | D45-S47 VanDerWaalsContact C-N 3.3Å; D45-S47 VanDerWaalsContact CG-OG 3.28Å; D45-S47 PolarHBondContact O-N 3.12Å; D45-S47 PolarHBondContact OD1-OG 3.18Å; D45-S47 WeakPolarHBondContact OD2-CB 3.18Å; D45-S47 PolarHBondContact OD2-N 2.92Å; D45-S47 PolarHBondContact OD2-OG 3.31Å; S47-R49 VanDerWaalsContact C-N 3.26Å; S47-R49 WeakPolarHBondContact OG-CB 3.3Å; S47-R49 WeakPolarHBondContact OG-CG 3.42Å; S47-R49 PolarHBondContact OG-N 3.22Å |
| 48 | G | 92.6 | Very high | 95.2 | Very high | 37 Ų | 37 | 54 Ų | 54 | 38% | 0.381 | 27% | 0.273 | S | S | . | . | S | Bend | trans | 77.7 | 8.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | D45 L46 | D45-G48 PolarHBondContact O-N 3.06Å; D45-G48 PolarHBondContact OD1-N 3.47Å; D45-G48 VanDerWaalsContact OD1-N 3.14Å; L46-G48 VanDerWaalsContact C-N 3.27Å |
| 49 | R | 93.8 | Very high | 95.1 | Very high | 218 Ų | 218 | 58.8 Ų | 58.8 | 82% | 0.823 | 30% | 0.297 | S | S | * | . | trans | -89.9 | -40.6 | -178 | -65.7 | -179 | 175.8 | -178.8 | -0.7 | 112.1 | D45 S47 | D45-R49 PolarHBondContact OD1-N 3.5Å; S47-R49 VanDerWaalsContact C-N 3.26Å; S47-R49 WeakPolarHBondContact OG-CB 3.3Å; S47-R49 WeakPolarHBondContact OG-CG 3.42Å; S47-R49 PolarHBondContact OG-N 3.22Å | ||
| 50 | E | 93.2 | Very high | 95 | Very high | 145 Ų | 145 | 62.4 Ų | 62.4 | 68% | 0.678 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -98.7 | 122.2 | -178.2 | -72 | -170.9 | 176.2 | 0 | 0 | 110.7 | T44 D45 | T44-E50 CarbonylContact C-O 3.58Å; T44-E50 WeakPolarHBondContact CA-O 3.25Å; T44-E50 VanDerWaalsContact CB-O 3.3Å; T44-E50 WeakPolarHBondContact CB-O 3.43Å; D45-E50 HydrophobicContact CB-CB 4.42Å; D45-E50 PolarHBondContact N-O 3.05Å; D45-E50 PolarHBondContact OD1-N 3.43Å |
| 51 | T | 95.4 | Very high | 94.9 | Very high | 95 Ų | 95 | 60.4 Ų | 60.4 | 58% | 0.583 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 126.3 | -179.5 | 65.2 | 0 | 0 | 0 | 0 | 109.9 | H42 T44 | H42-T51 WeakPolarHBondContact NE2-CB 3.3Å; H42-T51 WeakPolarHBondContact NE2-CG2 3.48Å; T44-T51 HydrophobicContact CG2-CG2 4.31Å |
| 52 | I | 92.6 | Very high | 94.8 | Very high | 60 Ų | 60 | 70.7 Ų | 70.7 | 31% | 0.308 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -47.6 | -177.4 | -57 | 172.6 | 0 | 0 | 0 | 109.4 | V43 V87 I89 | V43-I52 PolarHBondContact O-N 3.24Å; I52-V87 HydrophobicContact CG2-CB 4.23Å; I52-V87 HydrophobicContact CG2-CG1 4.08Å; I52-V87 HydrophobicContact CG2-CG2 3.96Å; I52-I89 HydrophobicContact CB-CD1 4.35Å; I52-I89 HydrophobicContact CD1-CD1 3.27Å; I52-I89 HydrophobicContact CD1-CG1 4.3Å; I52-I89 HydrophobicContact CG1-CD1 4.33Å; I52-I89 HydrophobicContact CG2-CD1 3.97Å |
| 53 | C | 94.4 | Very high | 94.7 | Very high | 10 Ų | 10 | 70.5 Ų | 70.5 | 7% | 0.068 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 149 | 172.2 | 62.6 | 0 | 0 | 0 | 0 | 111.5 | H42 V43 R83 C84 | H42-C53 PolarHBondContact CD2-O 2.68Å; V43-C53 PolarHBondContact N-O 3.03Å; V43-C53 PolarHBondContact O-N 2.96Å; C53-R83 HydrophobicContact CB-CB 4.24Å; C53-C84 VanDerWaalsContact SG-SG 3.64Å |
| 54 | R | 96 | Very high | 94.6 | Very high | 168 Ų | 168 | 76.9 Ų | 76.9 | 63% | 0.634 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 121.9 | 176.8 | -170.9 | 175.9 | 67.1 | -169.5 | 0.6 | 108.7 | H42 | H42-R54 HydrophobicContact CB-CG 4.32Å |
| 55 | V | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 87.2 Ų | 87.2 | 0% | 0 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 138.2 | 175.9 | -173.2 | 0 | 0 | 0 | 0 | 108.3 | V41 M59 K60 A76 D79 V80 | V41-V55 PolarHBondContact N-O 3.38Å; V41-V55 PolarHBondContact O-N 2.85Å; V41-V55 VanDerWaalsContact O-O 3.14Å; V55-M59 HydrophobicContact CG1-SD 4.4Å; V55-K60 HydrophobicContact CG1-CG 4.42Å; V55-A76 HydrophobicContact CB-CB 4.35Å; V55-A76 HydrophobicContact CG1-CB 3.81Å; V55-D79 HydrophobicContact CG2-CB 4.48Å; V55-V80 HydrophobicContact CB-CG2 3.77Å; V55-V80 HydrophobicContact CG2-CG2 3.58Å |
| 56 | T | 96.6 | Very high | 94.5 | Very high | 18 Ų | 18 | 88 Ų | 88 | 11% | 0.11 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 162.2 | 175.9 | 74.6 | 0 | 0 | 0 | 0 | 110.9 | T39 F40 G58 M59 | T39-T56 CarbonylContact O-C 3.59Å; T39-T56 VanDerWaalsContact O-CA 3.25Å; T39-T56 WeakPolarHBondContact O-CA 3.33Å; F40-T56 HydrophobicContact CD1-CG2 3.33Å; F40-T56 HydrophobicContact CD2-CG2 4.33Å; F40-T56 HydrophobicContact CE1-CG2 3.37Å; F40-T56 HydrophobicContact CE2-CG2 4.36Å; F40-T56 HydrophobicContact CG-CG2 3.83Å; F40-T56 HydrophobicContact CZ-CG2 3.89Å; T56-G58 VanDerWaalsContact C-N 3.29Å; T56-M59 PolarHBondContact O-N 3.22Å; T56-M59 WeakPolarHBondContact OG1-CG 3.31Å; T56-M59 PolarHBondContact OG1-N 3.24Å |
| 57 | G | 93.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 85.1 Ų | 85.1 | 0% | 0 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -60.1 | -42.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | D38 T39 M59 K60 V61 | D38-G57 PolarHBondContact OD1-N 3.44Å; T39-G57 PolarHBondContact O-N 3.32Å; G57-M59 PolarHBondContact O-N 3.46Å; G57-K60 PolarHBondContact O-N 3.21Å; G57-V61 PolarHBondContact O-N 2.87Å |
| 58 | G | 93.7 | Very high | 94.6 | Very high | 20 Ų | 20 | 82 Ų | 82 | 21% | 0.206 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -21.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | D38 T56 K60 | D38-G58 PolarHBondContact OD1-N 2.85Å; T56-G58 VanDerWaalsContact C-N 3.29Å; G58-K60 VanDerWaalsContact C-N 3.28Å; G58-K60 PolarHBondContact O-N 3.22Å |
| 59 | M | 94.7 | Very high | 94.7 | Very high | 121 Ų | 121 | 81.4 Ų | 81.4 | 60% | 0.596 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -22.2 | 171.3 | -69.6 | 176.3 | 76.1 | 0 | 0 | 113.1 | V55 T56 G57 | V55-M59 HydrophobicContact CG1-SD 4.4Å; T56-M59 PolarHBondContact O-N 3.22Å; T56-M59 WeakPolarHBondContact OG1-CG 3.31Å; T56-M59 PolarHBondContact OG1-N 3.24Å; G57-M59 PolarHBondContact O-N 3.46Å |
| 60 | K | 95 | Very high | 94.9 | Very high | 77 Ų | 77 | 74.1 Ų | 74.1 | 34% | 0.335 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -18.6 | -175 | -63 | -60.2 | -179.6 | -176.6 | 0 | 113.4 | V55 G57 G58 L75 A76 D79 | V55-K60 HydrophobicContact CG1-CG 4.42Å; G57-K60 PolarHBondContact O-N 3.21Å; G58-K60 VanDerWaalsContact C-N 3.28Å; G58-K60 PolarHBondContact O-N 3.22Å; K60-L75 HydrophobicContact CB-CB 3.99Å; K60-L75 HydrophobicContact CB-CD1 4.27Å; K60-L75 HydrophobicContact CD-CB 4.29Å; K60-L75 HydrophobicContact CG-CB 3.89Å; K60-A76 HydrophobicContact CG-CB 4.32Å; K60-D79 VanDerWaalsContact CE-OD2 3.3Å; K60-D79 WeakPolarHBondContact CE-OD2 3.32Å; K60-D79 VanDerWaalsContact NZ-CG 3.34Å; K60-D79 IonicContact NZ-OD2 2.67Å; K60-D79 PolarHBondContact NZ-OD2 2.96Å |
| 61 | V | 95.6 | Very high | 95 | Very high | 29 Ų | 29 | 74 Ų | 74 | 18% | 0.176 | 36% | 0.361 | C | S | . | . | trans | -126.9 | 139.9 | -177.7 | -175.8 | 0 | 0 | 0 | 0 | 109.1 | G57 A63 D66 A72 | G57-V61 PolarHBondContact O-N 2.87Å; V61-A63 HydrophobicContact CG1-CB 4.22Å; V61-D66 HydrophobicContact CG1-CB 3.64Å; V61-A72 HydrophobicContact CG2-CB 3.61Å | ||
| 62 | K | 94.4 | Very high | 95 | Very high | 216 Ų | 216 | 69.5 Ų | 69.5 | 94% | 0.939 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -89.1 | -5.4 | -178.7 | -64.5 | -175.2 | 177.9 | -177.2 | 0 | 113.9 | ||
| 63 | A | 95.1 | Very high | 95.2 | Very high | 35 Ų | 35 | 66.6 Ų | 66.6 | 29% | 0.289 | 32% | 0.318 | S | S | . | . | trans | -105.1 | 120.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | V61 R65 D66 | V61-A63 HydrophobicContact CG1-CB 4.22Å; A63-R65 HydrophobicContact CB-CG 4.45Å; A63-R65 PolarHBondContact O-N 3Å; A63-R65 VanDerWaalsContact O-N 3.11Å; A63-D66 HydrophobicContact CB-CB 4.36Å; A63-D66 PolarHBondContact O-N 2.9Å | ||
| 64 | D | 94.2 | Very high | 95.3 | Very high | 133 Ų | 133 | 69 Ų | 69 | 71% | 0.711 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -56.5 | -31.7 | -175.9 | -54 | -18.5 | 0 | 0 | 0 | 113.3 | D66 E67 | D64-D66 VanDerWaalsContact C-N 3.26Å; D64-D66 PolarHBondContact O-N 3.16Å; D64-E67 WeakPolarHBondContact O-CG 3.47Å |
| 65 | R | 94.5 | Very high | 95.3 | Very high | 219 Ų | 219 | 63 Ų | 63 | 83% | 0.826 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -71.1 | -21.5 | 179.5 | 68.8 | -176.6 | -178.3 | -172.3 | -2.8 | 113.7 | A63 | A63-R65 HydrophobicContact CB-CG 4.45Å; A63-R65 PolarHBondContact O-N 3Å; A63-R65 VanDerWaalsContact O-N 3.11Å |
| 66 | D | 94.1 | Very high | 95.3 | Very high | 58 Ų | 58 | 63 Ų | 63 | 31% | 0.31 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -104.3 | 3.6 | -170.1 | -66.3 | -45.9 | 0 | 0 | 0 | 112.3 | V61 A63 D64 A68 S69 A72 | V61-D66 HydrophobicContact CG1-CB 3.64Å; A63-D66 HydrophobicContact CB-CB 4.36Å; A63-D66 PolarHBondContact O-N 2.9Å; D64-D66 VanDerWaalsContact C-N 3.26Å; D64-D66 PolarHBondContact O-N 3.16Å; D66-A68 PolarHBondContact O-N 3.29Å; D66-S69 WeakPolarHBondContact O-CB 3.38Å; D66-S69 PolarHBondContact O-N 2.98Å; D66-S69 PolarHBondContact O-OG 2.94Å; D66-A72 WeakPolarHBondContact O-CB 3.48Å |
| 67 | E | 95.5 | Very high | 95.3 | Very high | 54 Ų | 54 | 62.2 Ų | 62.2 | 25% | 0.252 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -39.1 | 179.3 | -62.8 | -170.6 | 157.6 | 0 | 0 | 112.8 | N37 D38 D64 S69 | N37-E67 VanDerWaalsContact O-CB 3.28Å; N37-E67 WeakPolarHBondContact O-CB 3.31Å; D38-E67 HydrophobicContact CB-CB 4.23Å; D64-E67 WeakPolarHBondContact O-CG 3.47Å; E67-S69 VanDerWaalsContact C-N 3.26Å; E67-S69 PolarHBondContact O-N 2.96Å |
| 68 | A | 94.6 | Very high | 95.4 | Very high | 8 Ų | 8 | 66.4 Ų | 66.4 | 7% | 0.066 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -7.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | F36 N37 D66 P109 | F36-A68 VanDerWaalsContact O-CB 3.26Å; F36-A68 WeakPolarHBondContact O-CB 3.36Å; N37-A68 PolarHBondContact O-N 3.11Å; D66-A68 PolarHBondContact O-N 3.29Å; A68-P109 HydrophobicContact CB-CG 4.28Å; A68-P109 WeakPolarHBondContact O-CG 3.43Å |
| 69 | S | 95.8 | Very high | 95.4 | Very high | 26 Ų | 26 | 66.6 Ų | 66.6 | 18% | 0.182 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -61.6 | 146.1 | -168.3 | 71.6 | 0 | 0 | 0 | 0 | 111.6 | D66 E67 Y71 A72 A73 | D66-S69 WeakPolarHBondContact O-CB 3.38Å; D66-S69 PolarHBondContact O-N 2.98Å; D66-S69 PolarHBondContact O-OG 2.94Å; E67-S69 VanDerWaalsContact C-N 3.26Å; E67-S69 PolarHBondContact O-N 2.96Å; S69-Y71 PolarHBondContact O-N 2.95Å; S69-Y71 VanDerWaalsContact O-N 3.11Å; S69-A72 PolarHBondContact O-N 2.97Å; S69-A72 VanDerWaalsContact O-N 3.14Å; S69-A72 VanDerWaalsContact OG-CB 3.31Å; S69-A72 WeakPolarHBondContact OG-CB 3.16Å; S69-A72 PolarHBondContact OG-N 3.47Å; S69-A72 VanDerWaalsContact OG-N 3.12Å; S69-A73 PolarHBondContact O-N 3.41Å; S69-A73 VanDerWaalsContact O-N 3.09Å |
| 70 | P | 96.4 | Very high | 95.5 | Very high | 65 Ų | 65 | 60.9 Ų | 60.9 | 42% | 0.422 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -51.2 | -33.8 | 172.7 | -32.1 | 38.8 | 0 | 0 | 0 | 113.7 | M74 P109 S113 | P70-M74 PolarHBondContact O-N 3.03Å; P70-M74 VanDerWaalsContact O-N 3.13Å; P70-P109 HydrophobicContact CG-CB 4.35Å; P70-S113 WeakPolarHBondContact CB-OG 3.31Å; P70-S113 WeakPolarHBondContact O-CB 3.48Å |
| 71 | Y | 96.2 | Very high | 95.5 | Very high | 142 Ų | 142 | 57.2 Ų | 57.2 | 56% | 0.557 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -71.5 | -46 | 179.4 | -179.4 | -106.8 | 0 | 0 | 0 | 112.1 | S69 A73 M74 L75 | S69-Y71 PolarHBondContact O-N 2.95Å; S69-Y71 VanDerWaalsContact O-N 3.11Å; Y71-A73 VanDerWaalsContact C-N 3.31Å; Y71-A73 PolarHBondContact O-N 3.49Å; Y71-M74 HydrophobicContact CD2-CE 3.77Å; Y71-M74 HydrophobicContact CE2-CE 3.77Å; Y71-M74 WeakPolarHBondContact O-CB 3.21Å; Y71-M74 PolarHBondContact O-N 3.01Å; Y71-L75 HydrophobicContact CD1-CD1 4.12Å; Y71-L75 HydrophobicContact CE1-CD1 3.5Å; Y71-L75 VanDerWaalsContact CE1-CD1 3.5Å; Y71-L75 HydrophobicContact CE1-CG 4.27Å; Y71-L75 HydrophobicContact CE2-CD1 4.46Å; Y71-L75 HydrophobicContact CE2-CG 4.46Å; Y71-L75 PolarHBondContact O-N 3.34Å; Y71-L75 VanDerWaalsContact O-N 3.11Å |
| 72 | A | 96.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.2 | -44.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V61 D66 S69 M74 L75 A76 | V61-A72 HydrophobicContact CG2-CB 3.61Å; D66-A72 WeakPolarHBondContact O-CB 3.48Å; S69-A72 PolarHBondContact O-N 2.97Å; S69-A72 VanDerWaalsContact O-N 3.14Å; S69-A72 VanDerWaalsContact OG-CB 3.31Å; S69-A72 WeakPolarHBondContact OG-CB 3.16Å; S69-A72 PolarHBondContact OG-N 3.47Å; S69-A72 VanDerWaalsContact OG-N 3.12Å; A72-M74 VanDerWaalsContact C-N 3.33Å; A72-M74 PolarHBondContact O-N 3.48Å; A72-L75 PolarHBondContact O-N 3.29Å; A72-A76 WeakPolarHBondContact O-CB 3.46Å; A72-A76 PolarHBondContact O-N 2.98Å |
| 73 | A | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62 | -38.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | T39 S69 Y71 A76 A77 G110 A114 | T39-A73 HydrophobicContact CG2-CB 4.22Å; S69-A73 PolarHBondContact O-N 3.41Å; S69-A73 VanDerWaalsContact O-N 3.09Å; Y71-A73 VanDerWaalsContact C-N 3.31Å; Y71-A73 PolarHBondContact O-N 3.49Å; A73-A76 PolarHBondContact O-N 3.12Å; A73-A77 WeakPolarHBondContact O-CB 3.4Å; A73-A77 PolarHBondContact O-N 3.11Å; A73-G110 WeakPolarHBondContact CB-O 3.46Å; A73-A114 HydrophobicContact CB-CB 4.27Å |
| 74 | M | 96.5 | Very high | 95.1 | Very high | 61 Ų | 61 | 55.9 Ų | 55.9 | 30% | 0.3 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63 | -48 | 175.7 | 179.5 | -173.8 | 76.5 | 0 | 0 | 111.5 | P70 Y71 A72 A76 A77 Q78 A117 | P70-M74 PolarHBondContact O-N 3.03Å; P70-M74 VanDerWaalsContact O-N 3.13Å; Y71-M74 HydrophobicContact CD2-CE 3.77Å; Y71-M74 HydrophobicContact CE2-CE 3.77Å; Y71-M74 WeakPolarHBondContact O-CB 3.21Å; Y71-M74 PolarHBondContact O-N 3.01Å; A72-M74 VanDerWaalsContact C-N 3.33Å; A72-M74 PolarHBondContact O-N 3.48Å; M74-A76 VanDerWaalsContact C-N 3.32Å; M74-A76 PolarHBondContact O-N 3.14Å; M74-A77 PolarHBondContact O-N 3.21Å; M74-Q78 WeakPolarHBondContact O-CG 3.21Å; M74-Q78 PolarHBondContact O-N 3.13Å; M74-A117 HydrophobicContact CB-CB 4.34Å; M74-A117 HydrophobicContact CG-CB 3.93Å |
| 75 | L | 95.9 | Very high | 94.9 | Very high | 42 Ų | 42 | 55.1 Ų | 55.1 | 22% | 0.22 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.3 | -37.6 | 178.7 | -67.7 | 179.9 | 0 | 0 | 0 | 112.1 | K60 Y71 A72 D79 | K60-L75 HydrophobicContact CB-CB 3.99Å; K60-L75 HydrophobicContact CB-CD1 4.27Å; K60-L75 HydrophobicContact CD-CB 4.29Å; K60-L75 HydrophobicContact CG-CB 3.89Å; Y71-L75 HydrophobicContact CD1-CD1 4.12Å; Y71-L75 HydrophobicContact CE1-CD1 3.5Å; Y71-L75 VanDerWaalsContact CE1-CD1 3.5Å; Y71-L75 HydrophobicContact CE1-CG 4.27Å; Y71-L75 HydrophobicContact CE2-CD1 4.46Å; Y71-L75 HydrophobicContact CE2-CG 4.46Å; Y71-L75 PolarHBondContact O-N 3.34Å; Y71-L75 VanDerWaalsContact O-N 3.11Å; A72-L75 PolarHBondContact O-N 3.29Å; L75-D79 PolarHBondContact O-N 2.63Å |
| 76 | A | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.2 | -45.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V41 V55 K60 A72 A73 M74 Q78 D79 V80 | V41-A76 HydrophobicContact CG2-CB 4.31Å; V55-A76 HydrophobicContact CB-CB 4.35Å; V55-A76 HydrophobicContact CG1-CB 3.81Å; K60-A76 HydrophobicContact CG-CB 4.32Å; A72-A76 WeakPolarHBondContact O-CB 3.46Å; A72-A76 PolarHBondContact O-N 2.98Å; A73-A76 PolarHBondContact O-N 3.12Å; M74-A76 VanDerWaalsContact C-N 3.32Å; M74-A76 PolarHBondContact O-N 3.14Å; A76-Q78 PolarHBondContact O-N 3.4Å; A76-D79 PolarHBondContact O-N 2.91Å; A76-V80 WeakPolarHBondContact O-CG2 3.42Å; A76-V80 PolarHBondContact O-N 3.4Å |
| 77 | A | 96.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.2 | -38.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V41 A73 M74 V80 A81 A114 A117 L118 | V41-A77 HydrophobicContact CG2-CB 4.42Å; A73-A77 WeakPolarHBondContact O-CB 3.4Å; A73-A77 PolarHBondContact O-N 3.11Å; M74-A77 PolarHBondContact O-N 3.21Å; A77-V80 PolarHBondContact O-N 2.95Å; A77-A81 WeakPolarHBondContact O-CB 3.11Å; A77-A81 PolarHBondContact O-N 3.15Å; A77-A114 HydrophobicContact CB-CB 4.4Å; A77-A114 WeakPolarHBondContact CB-O 3.09Å; A77-A117 HydrophobicContact CB-CB 3.57Å; A77-L118 HydrophobicContact CB-CD2 4.16Å; A77-L118 HydrophobicContact CB-CG 3.98Å; A77-L118 WeakPolarHBondContact O-CD2 3.5Å |
| 78 | Q | 95.7 | Very high | 93.9 | Very high | 89 Ų | 89 | 46.1 Ų | 46.1 | 42% | 0.416 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.9 | -45.8 | 176.8 | -75 | 174.1 | -20.6 | 0 | 0 | 112.2 | M74 A76 V80 A81 E82 | M74-Q78 WeakPolarHBondContact O-CG 3.21Å; M74-Q78 PolarHBondContact O-N 3.13Å; A76-Q78 PolarHBondContact O-N 3.4Å; Q78-V80 PolarHBondContact O-N 3.49Å; Q78-A81 PolarHBondContact O-N 3.26Å; Q78-E82 PolarHBondContact O-N 2.89Å |
| 79 | D | 95.3 | Very high | 93.8 | Very high | 24 Ų | 24 | 46 Ų | 46 | 13% | 0.128 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.8 | -42.6 | 176.8 | -176.2 | 12.6 | 0 | 0 | 0 | 111.5 | V55 K60 L75 A76 A81 E82 R83 | V55-D79 HydrophobicContact CG2-CB 4.48Å; K60-D79 VanDerWaalsContact CE-OD2 3.3Å; K60-D79 WeakPolarHBondContact CE-OD2 3.32Å; K60-D79 VanDerWaalsContact NZ-CG 3.34Å; K60-D79 IonicContact NZ-OD2 2.67Å; K60-D79 PolarHBondContact NZ-OD2 2.96Å; L75-D79 PolarHBondContact O-N 2.63Å; A76-D79 PolarHBondContact O-N 2.91Å; D79-A81 VanDerWaalsContact C-N 3.34Å; D79-A81 PolarHBondContact O-N 3.34Å; D79-E82 PolarHBondContact O-N 3.32Å; D79-R83 WeakPolarHBondContact O-CG 3.27Å; D79-R83 PolarHBondContact O-N 3.32Å; D79-R83 VanDerWaalsContact O-N 3.09Å; D79-R83 IonicContact OD1-CZ 3.4Å; D79-R83 IonicContact OD1-NE 2.8Å; D79-R83 PolarHBondContact OD1-NE 3.25Å; D79-R83 IonicContact OD1-NH2 3.18Å; D79-R83 PolarHBondContact OD1-NH2 3Å; D79-R83 IonicContact OD2-CZ 3.6Å; D79-R83 IonicContact OD2-NE 3.74Å; D79-R83 IonicContact OD2-NH2 2.82Å; D79-R83 PolarHBondContact OD2-NH2 3.4Å |
| 80 | V | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.2 | -46.3 | 173.6 | 159.9 | 0 | 0 | 0 | 0 | 111.7 | V41 V43 V55 A76 A77 Q78 E82 R83 C84 L118 | V41-V80 HydrophobicContact CB-CG2 4.01Å; V41-V80 HydrophobicContact CG1-CB 4.05Å; V41-V80 HydrophobicContact CG1-CG1 3.85Å; V41-V80 HydrophobicContact CG1-CG2 3.86Å; V43-V80 HydrophobicContact CG2-CG1 3.4Å; V43-V80 VanDerWaalsContact CG2-CG1 3.4Å; V55-V80 HydrophobicContact CB-CG2 3.77Å; V55-V80 HydrophobicContact CG2-CG2 3.58Å; A76-V80 WeakPolarHBondContact O-CG2 3.42Å; A76-V80 PolarHBondContact O-N 3.4Å; A77-V80 PolarHBondContact O-N 2.95Å; Q78-V80 PolarHBondContact O-N 3.49Å; V80-E82 PolarHBondContact O-N 3.43Å; V80-R83 PolarHBondContact O-N 3.18Å; V80-C84 WeakPolarHBondContact O-CB 3.37Å; V80-C84 PolarHBondContact O-N 2.89Å; V80-C84 PolarHBondContact O-SG 3.47Å; V80-L118 HydrophobicContact CG1-CD2 4.07Å |
| 81 | A | 95 | Very high | 93.4 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.8 | -40.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A77 Q78 D79 C84 K85 L118 S121 M123 | A77-A81 WeakPolarHBondContact O-CB 3.11Å; A77-A81 PolarHBondContact O-N 3.15Å; Q78-A81 PolarHBondContact O-N 3.26Å; D79-A81 VanDerWaalsContact C-N 3.34Å; D79-A81 PolarHBondContact O-N 3.34Å; A81-C84 PolarHBondContact O-N 3.43Å; A81-K85 WeakPolarHBondContact O-CG 3.35Å; A81-K85 PolarHBondContact O-N 3.36Å; A81-L118 HydrophobicContact CB-CD2 4.32Å; A81-S121 VanDerWaalsContact CB-CB 3.48Å; A81-S121 WeakPolarHBondContact CB-OG 3.37Å; A81-M123 HydrophobicContact CB-CG 3.97Å; A81-M123 HydrophobicContact CB-SD 4.48Å |
| 82 | E | 93.5 | Very high | 93.4 | Very high | 143 Ų | 143 | 37.8 Ų | 37.8 | 67% | 0.668 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -61.7 | -46.4 | 176.3 | -170.6 | 174.7 | -177.3 | 0 | 0 | 111.5 | Q78 D79 V80 C84 K85 A86 | Q78-E82 PolarHBondContact O-N 2.89Å; D79-E82 PolarHBondContact O-N 3.32Å; V80-E82 PolarHBondContact O-N 3.43Å; E82-C84 PolarHBondContact O-N 3.25Å; E82-K85 PolarHBondContact O-N 3.04Å; E82-A86 PolarHBondContact O-N 3.14Å; E82-A86 VanDerWaalsContact O-N 3.15Å |
| 83 | R | 92.2 | Very high | 93.4 | Very high | 109 Ų | 109 | 39.7 Ų | 39.7 | 41% | 0.411 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.5 | -40.5 | 176.2 | -65.5 | 179.9 | -161.6 | -162.1 | 6.5 | 112.6 | C53 D79 V80 K85 A86 V87 | C53-R83 HydrophobicContact CB-CB 4.24Å; D79-R83 WeakPolarHBondContact O-CG 3.27Å; D79-R83 PolarHBondContact O-N 3.32Å; D79-R83 VanDerWaalsContact O-N 3.09Å; D79-R83 IonicContact OD1-CZ 3.4Å; D79-R83 IonicContact OD1-NE 2.8Å; D79-R83 PolarHBondContact OD1-NE 3.25Å; D79-R83 IonicContact OD1-NH2 3.18Å; D79-R83 PolarHBondContact OD1-NH2 3Å; D79-R83 IonicContact OD2-CZ 3.6Å; D79-R83 IonicContact OD2-NE 3.74Å; D79-R83 IonicContact OD2-NH2 2.82Å; D79-R83 PolarHBondContact OD2-NH2 3.4Å; V80-R83 PolarHBondContact O-N 3.18Å; R83-K85 VanDerWaalsContact C-N 3.31Å; R83-K85 PolarHBondContact O-N 2.54Å; R83-A86 PolarHBondContact O-N 2.79Å; R83-V87 WeakPolarHBondContact O-CG2 3.38Å; R83-V87 PolarHBondContact O-N 3.01Å |
| 84 | C | 92.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.1 | -39.9 | 176.5 | -75.9 | 0 | 0 | 0 | 0 | 112.1 | C53 V80 A81 E82 V87 G88 I89 M123 | C53-C84 VanDerWaalsContact SG-SG 3.64Å; V80-C84 WeakPolarHBondContact O-CB 3.37Å; V80-C84 PolarHBondContact O-N 2.89Å; V80-C84 PolarHBondContact O-SG 3.47Å; A81-C84 PolarHBondContact O-N 3.43Å; E82-C84 PolarHBondContact O-N 3.25Å; C84-V87 PolarHBondContact O-N 2.99Å; C84-G88 PolarHBondContact O-N 3.35Å; C84-G88 VanDerWaalsContact O-N 3.12Å; C84-I89 HydrophobicContact CB-CB 4.17Å; C84-I89 HydrophobicContact CB-CD1 4.33Å; C84-I89 PolarHBondContact O-N 2.9Å; C84-M123 HydrophobicContact CB-CE 3.53Å; C84-M123 HydrophobicContact CB-SD 4.3Å |
| 85 | K | 88.9 | Confident | 93.4 | Very high | 117 Ų | 117 | 40 Ų | 40 | 51% | 0.509 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.9 | -40.6 | 175.4 | -73.3 | 177.1 | -176.1 | -176.9 | 0 | 112.2 | A81 E82 R83 V87 G88 S121 M123 | A81-K85 WeakPolarHBondContact O-CG 3.35Å; A81-K85 PolarHBondContact O-N 3.36Å; E82-K85 PolarHBondContact O-N 3.04Å; R83-K85 VanDerWaalsContact C-N 3.31Å; R83-K85 PolarHBondContact O-N 2.54Å; K85-V87 PolarHBondContact O-N 2.72Å; K85-G88 PolarHBondContact O-N 2.77Å; K85-S121 WeakPolarHBondContact CE-O 3.43Å; K85-S121 PolarHBondContact NZ-O 3.47Å; K85-M123 HydrophobicContact CG-SD 4.17Å |
| 86 | A | 88.1 | Confident | 93.5 | Very high | 53 Ų | 53 | 39.6 Ų | 39.6 | 44% | 0.438 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.3 | -33.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E82 R83 G88 | E82-A86 PolarHBondContact O-N 3.14Å; E82-A86 VanDerWaalsContact O-N 3.15Å; R83-A86 PolarHBondContact O-N 2.79Å; A86-G88 VanDerWaalsContact C-N 3.34Å |
| 87 | V | 87.6 | Confident | 93.5 | Very high | 63 Ų | 63 | 45 Ų | 45 | 38% | 0.382 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -81.9 | -13 | 175.7 | -180 | 0 | 0 | 0 | 0 | 112.6 | A17 I52 R83 C84 K85 | A17-V87 WeakPolarHBondContact CB-O 3.5Å; I52-V87 HydrophobicContact CG2-CB 4.23Å; I52-V87 HydrophobicContact CG2-CG1 4.08Å; I52-V87 HydrophobicContact CG2-CG2 3.96Å; R83-V87 WeakPolarHBondContact O-CG2 3.38Å; R83-V87 PolarHBondContact O-N 3.01Å; C84-V87 PolarHBondContact O-N 2.99Å; K85-V87 PolarHBondContact O-N 2.72Å |
| 88 | G | 88.3 | Confident | 93.5 | Very high | 26 Ų | 26 | 45 Ų | 45 | 27% | 0.268 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | 21.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | R26 C84 K85 A86 | R26-G88 WeakPolarHBondContact CB-O 3.45Å; C84-G88 PolarHBondContact O-N 3.35Å; C84-G88 VanDerWaalsContact O-N 3.12Å; K85-G88 PolarHBondContact O-N 2.77Å; A86-G88 VanDerWaalsContact C-N 3.34Å |
| 89 | I | 91.1 | Very high | 93.6 | Very high | 5 Ų | 5 | 42.2 Ų | 42.2 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | trans | -81.7 | 127.4 | 169.7 | -56.8 | 170.7 | 0 | 0 | 0 | 108.5 | R26 V43 I52 C84 A91 L92 M123 | R26-I89 WeakPolarHBondContact O-CG2 3.28Å; V43-I89 HydrophobicContact CG1-CD1 4.1Å; I52-I89 HydrophobicContact CB-CD1 4.35Å; I52-I89 HydrophobicContact CD1-CD1 3.27Å; I52-I89 HydrophobicContact CD1-CG1 4.3Å; I52-I89 HydrophobicContact CG1-CD1 4.33Å; I52-I89 HydrophobicContact CG2-CD1 3.97Å; C84-I89 HydrophobicContact CB-CB 4.17Å; C84-I89 HydrophobicContact CB-CD1 4.33Å; C84-I89 PolarHBondContact O-N 2.9Å; I89-A91 VanDerWaalsContact CG2-O 3.3Å; I89-A91 WeakPolarHBondContact CG2-O 3.14Å; I89-L92 HydrophobicContact CG2-CD2 3.85Å; I89-M123 HydrophobicContact CB-CE 4.28Å; I89-M123 HydrophobicContact CG2-CE 3.91Å; I89-M123 WeakPolarHBondContact O-CE 3.31Å | ||
| 90 | T | 90.2 | Very high | 93.5 | Very high | 59 Ų | 59 | 41.3 Ų | 41.3 | 36% | 0.362 | 21% | 0.21 | S | C | . | . | trans | -113.6 | -19.7 | -177.7 | 54.6 | 0 | 0 | 0 | 0 | 113 | V25 R26 K124 | V25-T90 VanDerWaalsContact CA-OG1 3.31Å; V25-T90 WeakPolarHBondContact CA-OG1 3.46Å; R26-T90 PolarHBondContact N-OG1 3.33Å; R26-T90 PolarHBondContact O-N 2.84Å; R26-T90 VanDerWaalsContact O-N 3.16Å; T90-K124 PolarHBondContact O-N 3.4Å | ||
| 91 | A | 94 | Very high | 93.4 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 150.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V25 R26 F27 G28 I89 K124 | V25-A91 HydrophobicContact CB-CB 3.99Å; V25-A91 HydrophobicContact CG2-CB 4.33Å; R26-A91 PolarHBondContact O-N 3.32Å; F27-A91 CarbonylContact C-O 3.44Å; F27-A91 WeakPolarHBondContact CA-O 3.32Å; F27-A91 HydrophobicContact CD1-CB 3.52Å; F27-A91 HydrophobicContact CE1-CB 3.48Å; F27-A91 VanDerWaalsContact CE1-CB 3.48Å; F27-A91 HydrophobicContact CE2-CB 4.49Å; F27-A91 HydrophobicContact CG-CB 4.05Å; F27-A91 HydrophobicContact CZ-CB 4Å; G28-A91 PolarHBondContact N-O 2.72Å; I89-A91 VanDerWaalsContact CG2-O 3.3Å; I89-A91 WeakPolarHBondContact CG2-O 3.14Å; A91-K124 CarbonylContact C-O 3.54Å; A91-K124 WeakPolarHBondContact CA-O 3.47Å; A91-K124 HydrophobicContact CB-CB 3.86Å |
| 92 | L | 96 | Very high | 93.3 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 127.6 | -180 | -65.4 | 172.5 | 0 | 0 | 0 | 110.9 | G28 A30 V43 I89 L118 M123 K124 G126 | G28-L92 CarbonylContact O-C 3.46Å; G28-L92 WeakPolarHBondContact O-CA 3.45Å; A30-L92 HydrophobicContact CB-CB 4.28Å; A30-L92 HydrophobicContact CB-CD1 4.21Å; V43-L92 HydrophobicContact CG1-CD2 3.6Å; V43-L92 HydrophobicContact CG2-CD1 4.42Å; V43-L92 HydrophobicContact CG2-CD2 4.26Å; I89-L92 HydrophobicContact CG2-CD2 3.85Å; L92-L118 HydrophobicContact CD1-CD1 4.45Å; L92-L118 HydrophobicContact CD1-CD2 4.25Å; L92-M123 HydrophobicContact CD1-CB 4.16Å; L92-M123 HydrophobicContact CD1-CE 3.7Å; L92-M123 HydrophobicContact CD1-CG 4.13Å; L92-M123 HydrophobicContact CD2-CE 4.23Å; L92-M123 HydrophobicContact CG-CE 3.74Å; L92-K124 PolarHBondContact N-O 3.08Å; L92-G126 PolarHBondContact O-N 3.39Å |
| 93 | H | 96.6 | Very high | 93.4 | Very high | 41 Ų | 41 | 43.8 Ų | 43.8 | 19% | 0.19 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 140.2 | 158 | -69.2 | -64.3 | 0 | 0 | 0 | 109.3 | F27 G28 V29 A30 R127 | F27-H93 AromaticContact CD1-CD2 3.63Å; F27-H93 AromaticContact CD1-CE1 3.82Å; F27-H93 AromaticContact CD1-NE2 3.31Å; F27-H93 VanDerWaalsContact CD1-NE2 3.31Å; F27-H93 WeakPolarHBondContact CD1-NE2 3.3Å; F27-H93 AromaticContact CE1-CE1 3.81Å; F27-H93 AromaticContact CE1-NE2 3.74Å; F27-H93 AromaticContact CG-NE2 3.69Å; G28-H93 PolarHBondContact O-N 3.44Å; V29-H93 CarbonylContact C-O 3.58Å; V29-H93 WeakPolarHBondContact CA-O 3.38Å; V29-H93 HydrophobicContact CG1-CB 4.5Å; V29-H93 HydrophobicContact CG2-CB 4.3Å; A30-H93 PolarHBondContact N-O 3.19Å; H93-R127 PolarHBondContact ND1-N 3.3Å; H93-R127 VanDerWaalsContact ND1-N 3.14Å |
| 94 | I | 96.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 125.2 | -178.6 | -58.7 | -177.1 | 0 | 0 | 0 | 109.3 | I32 L115 I125 R127 I128 E129 | I32-I94 HydrophobicContact CD1-CG2 3.85Å; I32-I94 HydrophobicContact CG1-CG2 4.38Å; I94-L115 HydrophobicContact CD1-CD1 3.52Å; I94-L115 HydrophobicContact CD1-CG 3.62Å; I94-L115 HydrophobicContact CG2-CD1 4.18Å; I94-I125 HydrophobicContact CD1-CD1 4.07Å; I94-I125 HydrophobicContact CD1-CG1 4.48Å; I94-I125 HydrophobicContact CD1-CG2 3.57Å; I94-I125 HydrophobicContact CG1-CG2 4.09Å; I94-R127 PolarHBondContact N-O 3.44Å; I94-I128 HydrophobicContact CB-CG1 4.24Å; I94-I128 HydrophobicContact CB-CG2 4.34Å; I94-I128 HydrophobicContact CD1-CG1 4.34Å; I94-I128 HydrophobicContact CG2-CG2 4.38Å; I94-I128 WeakPolarHBondContact O-CA 3.4Å; I94-E129 PolarHBondContact O-N 2.69Å |
| 95 | K | 97.1 | Very high | 93.6 | Very high | 66 Ų | 66 | 46.5 Ų | 46.5 | 29% | 0.287 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 98.7 | 167.8 | -73.2 | -174.4 | 175.8 | 179.5 | 0 | 108.4 | V29 A30 I32 E129 V131 | V29-K95 HydrophobicContact CG1-CB 4.48Å; V29-K95 HydrophobicContact CG1-CD 3.8Å; V29-K95 HydrophobicContact CG1-CG 3.97Å; A30-K95 PolarHBondContact O-N 3.04Å; I32-K95 PolarHBondContact N-O 3.09Å; K95-E129 CarbonylContact C-O 3.57Å; K95-E129 WeakPolarHBondContact CA-O 3.34Å; K95-V131 HydrophobicContact CB-CG1 4.18Å; K95-V131 HydrophobicContact CB-CG2 3.85Å; K95-V131 HydrophobicContact CD-CG1 4.08Å; K95-V131 HydrophobicContact CG-CG1 4.05Å |
| 96 | L | 96.3 | Very high | 93.9 | Very high | 34 Ų | 34 | 45.4 Ų | 45.4 | 18% | 0.178 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 136.1 | 177 | -171.8 | 65.5 | 0 | 0 | 0 | 109.4 | I32 P107 A111 E129 D130 V131 | I32-L96 HydrophobicContact CB-CD1 3.99Å; I32-L96 HydrophobicContact CG2-CD1 3.81Å; L96-P107 HydrophobicContact CD2-CB 4.3Å; L96-P107 HydrophobicContact CD2-CG 3.9Å; L96-P107 HydrophobicContact CG-CG 4.41Å; L96-A111 HydrophobicContact CD1-CB 3.85Å; L96-E129 PolarHBondContact N-O 3.49Å; L96-D130 WeakPolarHBondContact O-CA 3.45Å; L96-V131 WeakPolarHBondContact O-CG2 3.19Å; L96-V131 PolarHBondContact O-N 2.9Å |
| 97 | R | 97.3 | Very high | 94.2 | Very high | 112 Ų | 112 | 45 Ų | 45 | 42% | 0.423 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 119.9 | -178.2 | -171.9 | -177.3 | 170.4 | -151.9 | 1.5 | 110.5 | I32 F33 A34 V131 | I32-R97 PolarHBondContact O-N 3.02Å; F33-R97 CarbonylContact C-O 3.59Å; F33-R97 WeakPolarHBondContact CA-O 3.35Å; F33-R97 HydrophobicContact CD2-CB 4.17Å; F33-R97 HydrophobicContact CD2-CG 3.89Å; F33-R97 HydrophobicContact CE2-CG 4.49Å; A34-R97 PolarHBondContact N-O 3.32Å; R97-V131 HydrophobicContact CB-CG2 3.99Å; R97-V131 HydrophobicContact CG-CG2 4.41Å |
| 98 | A | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -82.4 | 175.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | G100 K105 P107 T132 | A98-G100 VanDerWaalsContact C-N 3.3Å; A98-G100 PolarHBondContact O-N 2.85Å; A98-K105 WeakPolarHBondContact CB-O 3.36Å; A98-P107 HydrophobicContact CB-CB 4.48Å; A98-P107 HydrophobicContact CB-CG 4.28Å; A98-T132 HydrophobicContact CB-CG2 3.8Å; A98-T132 WeakPolarHBondContact CB-OG1 3.45Å; A98-T132 PolarHBondContact N-OG1 3.41Å | ||
| 99 | T | 96 | Very high | 94.9 | Very high | 32 Ų | 32 | 44 Ų | 44 | 20% | 0.196 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -55.6 | -46.1 | 178.5 | -47.9 | 0 | 0 | 0 | 0 | 112.2 | K103 | T99-K103 HydrophobicContact CG2-CB 3.91Å; T99-K103 HydrophobicContact CG2-CD 3.48Å; T99-K103 VanDerWaalsContact CG2-CD 3.48Å; T99-K103 HydrophobicContact CG2-CG 4.33Å |
| 100 | G | 94.1 | Very high | 95.1 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 4% | 0.041 | 24% | 0.235 | C | C | . | . | trans | 61.1 | -162.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115 | A98 T102 K103 T104 | A98-G100 VanDerWaalsContact C-N 3.3Å; A98-G100 PolarHBondContact O-N 2.85Å; G100-T102 PolarHBondContact O-N 2.82Å; G100-K103 WeakPolarHBondContact O-CB 3.36Å; G100-K103 PolarHBondContact O-N 3.11Å; G100-K103 VanDerWaalsContact O-N 3.08Å; G100-T104 PolarHBondContact N-O 2.88Å | ||
| 101 | G | 93.7 | Very high | 95.3 | Very high | 26 Ų | 26 | 41.5 Ų | 41.5 | 27% | 0.268 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | -125.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | K103 P133 | G101-K103 VanDerWaalsContact C-N 3.29Å; G101-P133 PolarHBondContact N-O 2.93Å |
| 102 | T | 93.1 | Very high | 95.4 | Very high | 39 Ų | 39 | 46.3 Ų | 46.3 | 24% | 0.239 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -5.6 | 175.3 | 54.6 | 0 | 0 | 0 | 0 | 113.8 | G100 T139 R141 | G100-T102 PolarHBondContact O-N 2.82Å; T102-T139 WeakPolarHBondContact CG2-O 3.41Å; T102-T139 WeakPolarHBondContact CG2-OG1 3.43Å; T102-R141 WeakPolarHBondContact O-CG 3.49Å |
| 103 | K | 94.2 | Very high | 95.4 | Very high | 131 Ų | 131 | 47.7 Ų | 47.7 | 57% | 0.57 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -98.5 | -162.6 | -177.4 | -62.4 | 178.8 | 178.6 | 175.7 | 0 | 110.9 | T99 G100 G101 K105 | T99-K103 HydrophobicContact CG2-CB 3.91Å; T99-K103 HydrophobicContact CG2-CD 3.48Å; T99-K103 VanDerWaalsContact CG2-CD 3.48Å; T99-K103 HydrophobicContact CG2-CG 4.33Å; G100-K103 WeakPolarHBondContact O-CB 3.36Å; G100-K103 PolarHBondContact O-N 3.11Å; G100-K103 VanDerWaalsContact O-N 3.08Å; G101-K103 VanDerWaalsContact C-N 3.29Å; K103-K105 PolarHBondContact O-N 3.46Å |
| 104 | T | 94 | Very high | 95.4 | Very high | 64 Ų | 64 | 45.7 Ų | 45.7 | 39% | 0.393 | 25% | 0.245 | S | C | . | . | trans | -67.4 | 130.2 | -178.9 | 57.1 | 0 | 0 | 0 | 0 | 111.1 | F36 G100 | F36-T104 HydrophobicContact CD2-CG2 4.44Å; F36-T104 HydrophobicContact CE2-CG2 4.02Å; F36-T104 WeakPolarHBondContact CE2-OG1 3.48Å; G100-T104 PolarHBondContact N-O 2.88Å | ||
| 105 | K | 95 | Very high | 95.3 | Very high | 102 Ų | 102 | 47.8 Ų | 47.8 | 44% | 0.443 | 26% | 0.256 | S | S | . | . | trans | -89.4 | -13.6 | 174.8 | -59.4 | 177.9 | -177.9 | -179 | 0 | 112.4 | A98 K103 T132 | A98-K105 WeakPolarHBondContact CB-O 3.36Å; K103-K105 PolarHBondContact O-N 3.46Å; K105-T132 HydrophobicContact CB-CG2 4.25Å | ||
| 106 | T | 95.6 | Very high | 95.3 | Very high | 95 Ų | 95 | 50.5 Ų | 50.5 | 58% | 0.583 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -74.8 | 128.6 | 175.3 | -44.3 | 0 | 0 | 0 | 0 | 109.9 | ||
| 107 | P | 94.9 | Very high | 95.2 | Very high | 43 Ų | 43 | 49.1 Ų | 49.1 | 28% | 0.279 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 145.3 | 173 | -23.4 | 33.3 | 0 | 0 | 0 | 111.9 | A34 L96 A98 A111 | A34-P107 HydrophobicContact CB-CB 4.41Å; L96-P107 HydrophobicContact CD2-CB 4.3Å; L96-P107 HydrophobicContact CD2-CG 3.9Å; L96-P107 HydrophobicContact CG-CG 4.41Å; A98-P107 HydrophobicContact CB-CB 4.48Å; A98-P107 HydrophobicContact CB-CG 4.28Å; P107-A111 HydrophobicContact CB-CB 3.77Å |
| 108 | G | 94.8 | Very high | 95.1 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 5% | 0.052 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -70.5 | 171.7 | 176 | 0 | 0 | 0 | 0 | 0 | 114.1 | A34 S35 G110 A111 | A34-G108 PolarHBondContact O-N 3.45Å; S35-G108 WeakPolarHBondContact O-CA 3.43Å; G108-G110 VanDerWaalsContact C-N 3.29Å; G108-G110 PolarHBondContact O-N 3.1Å; G108-A111 VanDerWaalsContact O-CB 3.31Å; G108-A111 WeakPolarHBondContact O-CB 3.26Å; G108-A111 PolarHBondContact O-N 3.47Å; G108-A111 VanDerWaalsContact O-N 3.12Å |
| 109 | P | 95.5 | Very high | 95 | Very high | 64 Ų | 64 | 46 Ų | 46 | 42% | 0.416 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -30.4 | -171.1 | 20.4 | -30.5 | 0 | 0 | 0 | 114.6 | A68 P70 A111 | A68-P109 HydrophobicContact CB-CG 4.28Å; A68-P109 WeakPolarHBondContact O-CG 3.43Å; P70-P109 HydrophobicContact CG-CB 4.35Å; P109-A111 VanDerWaalsContact C-N 3.29Å; P109-A111 PolarHBondContact O-N 3.25Å |
| 110 | G | 94.8 | Very high | 95 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -76.7 | -6.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | A73 G108 S113 A114 | A73-G110 WeakPolarHBondContact CB-O 3.46Å; G108-G110 VanDerWaalsContact C-N 3.29Å; G108-G110 PolarHBondContact O-N 3.1Å; G110-S113 PolarHBondContact O-N 3.46Å; G110-A114 WeakPolarHBondContact O-CB 3.5Å; G110-A114 PolarHBondContact O-N 2.95Å |
| 111 | A | 95.4 | Very high | 95 | Very high | 11 Ų | 11 | 54.6 Ų | 54.6 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56 | -55.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A34 L96 P107 G108 P109 L115 | A34-A111 HydrophobicContact CB-CB 3.6Å; L96-A111 HydrophobicContact CD1-CB 3.85Å; P107-A111 HydrophobicContact CB-CB 3.77Å; G108-A111 VanDerWaalsContact O-CB 3.31Å; G108-A111 WeakPolarHBondContact O-CB 3.26Å; G108-A111 PolarHBondContact O-N 3.47Å; G108-A111 VanDerWaalsContact O-N 3.12Å; P109-A111 VanDerWaalsContact C-N 3.29Å; P109-A111 PolarHBondContact O-N 3.25Å; A111-L115 PolarHBondContact O-N 3.29Å |
| 112 | Q | 95.6 | Very high | 94.8 | Very high | 103 Ų | 103 | 56 Ų | 56 | 48% | 0.481 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.6 | -40.5 | -175.9 | -159 | -77.9 | -68.6 | 0 | 0 | 110.6 | R116 | Q112-R116 VanDerWaalsContact O-CB 3.29Å; Q112-R116 WeakPolarHBondContact O-CB 3.49Å; Q112-R116 PolarHBondContact O-N 2.75Å |
| 113 | S | 95.6 | Very high | 94.8 | Very high | 28 Ų | 28 | 54.5 Ų | 54.5 | 20% | 0.196 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.9 | -43.5 | -179.6 | -63.2 | 0 | 0 | 0 | 0 | 112.9 | P70 G110 R116 A117 | P70-S113 WeakPolarHBondContact CB-OG 3.31Å; P70-S113 WeakPolarHBondContact O-CB 3.48Å; G110-S113 PolarHBondContact O-N 3.46Å; S113-R116 PolarHBondContact O-N 2.97Å; S113-A117 WeakPolarHBondContact O-CB 3.15Å; S113-A117 PolarHBondContact O-N 3.24Å |
| 114 | A | 96 | Very high | 94.8 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.2 | -48.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | I32 V41 A73 A77 G110 R116 A117 L118 | I32-A114 HydrophobicContact CD1-CB 4.45Å; I32-A114 HydrophobicContact CG2-CB 4.23Å; V41-A114 HydrophobicContact CG2-CB 3.99Å; A73-A114 HydrophobicContact CB-CB 4.27Å; A77-A114 HydrophobicContact CB-CB 4.4Å; A77-A114 WeakPolarHBondContact CB-O 3.09Å; G110-A114 WeakPolarHBondContact O-CB 3.5Å; G110-A114 PolarHBondContact O-N 2.95Å; A114-R116 PolarHBondContact O-N 2.96Å; A114-A117 PolarHBondContact O-N 2.9Å; A114-L118 WeakPolarHBondContact O-CG 3.42Å; A114-L118 PolarHBondContact O-N 2.86Å |
| 115 | L | 95.6 | Very high | 94.9 | Very high | 44 Ų | 44 | 54.1 Ų | 54.1 | 23% | 0.23 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.4 | -46.3 | 178.7 | -176.7 | 148.2 | 0 | 0 | 0 | 111.8 | I32 I94 A111 A117 L118 A119 I128 | I32-L115 HydrophobicContact CD1-CB 4.32Å; I94-L115 HydrophobicContact CD1-CD1 3.52Å; I94-L115 HydrophobicContact CD1-CG 3.62Å; I94-L115 HydrophobicContact CG2-CD1 4.18Å; A111-L115 PolarHBondContact O-N 3.29Å; L115-A117 VanDerWaalsContact C-N 3.33Å; L115-A117 PolarHBondContact O-N 2.8Å; L115-L118 PolarHBondContact O-N 3.42Å; L115-A119 PolarHBondContact O-N 2.88Å; L115-A119 VanDerWaalsContact O-N 3.1Å; L115-I128 HydrophobicContact CD1-CD1 4.36Å |
| 116 | R | 96.1 | Very high | 94.8 | Very high | 123 Ų | 123 | 50.5 Ų | 50.5 | 46% | 0.464 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.1 | -38.8 | 177.7 | 178.6 | 177.6 | -89.7 | -175.9 | -6.4 | 111.8 | Q112 S113 A114 A119 R120 | Q112-R116 VanDerWaalsContact O-CB 3.29Å; Q112-R116 WeakPolarHBondContact O-CB 3.49Å; Q112-R116 PolarHBondContact O-N 2.75Å; S113-R116 PolarHBondContact O-N 2.97Å; A114-R116 PolarHBondContact O-N 2.96Å; R116-A119 PolarHBondContact O-N 2.82Å; R116-R120 WeakPolarHBondContact O-CB 3.29Å; R116-R120 WeakPolarHBondContact O-CG 3.49Å; R116-R120 PolarHBondContact O-N 3.14Å |
| 117 | A | 95.7 | Very high | 94.8 | Very high | 6 Ų | 6 | 54.7 Ų | 54.7 | 5% | 0.05 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.9 | -41.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | M74 A77 S113 A114 L115 A119 R120 S121 | M74-A117 HydrophobicContact CB-CB 4.34Å; M74-A117 HydrophobicContact CG-CB 3.93Å; A77-A117 HydrophobicContact CB-CB 3.57Å; S113-A117 WeakPolarHBondContact O-CB 3.15Å; S113-A117 PolarHBondContact O-N 3.24Å; A114-A117 PolarHBondContact O-N 2.9Å; L115-A117 VanDerWaalsContact C-N 3.33Å; L115-A117 PolarHBondContact O-N 2.8Å; A117-A119 PolarHBondContact O-N 2.9Å; A117-R120 PolarHBondContact O-N 3.42Å; A117-S121 WeakPolarHBondContact O-CB 3.48Å; A117-S121 PolarHBondContact O-N 3.37Å; A117-S121 PolarHBondContact O-OG 3.32Å |
| 118 | L | 94.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.2 | -46.3 | 173.2 | -72.6 | 173.9 | 0 | 0 | 0 | 111.4 | A30 I32 V41 A77 V80 A81 L92 A114 L115 S121 M123 I125 | A30-L118 HydrophobicContact CB-CD1 4.28Å; I32-L118 HydrophobicContact CD1-CD1 4.08Å; V41-L118 HydrophobicContact CG1-CD1 4.21Å; V41-L118 HydrophobicContact CG1-CD2 4.49Å; A77-L118 HydrophobicContact CB-CD2 4.16Å; A77-L118 HydrophobicContact CB-CG 3.98Å; A77-L118 WeakPolarHBondContact O-CD2 3.5Å; V80-L118 HydrophobicContact CG1-CD2 4.07Å; A81-L118 HydrophobicContact CB-CD2 4.32Å; L92-L118 HydrophobicContact CD1-CD1 4.45Å; L92-L118 HydrophobicContact CD1-CD2 4.25Å; A114-L118 WeakPolarHBondContact O-CG 3.42Å; A114-L118 PolarHBondContact O-N 2.86Å; L115-L118 PolarHBondContact O-N 3.42Å; L118-S121 PolarHBondContact O-N 3.12Å; L118-S121 PolarHBondContact O-OG 2.93Å; L118-M123 PolarHBondContact O-N 2.92Å; L118-I125 HydrophobicContact CB-CD1 4.5Å |
| 119 | A | 95.2 | Very high | 95 | Very high | 47 Ų | 47 | 61.5 Ų | 61.5 | 39% | 0.388 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L115 R116 A117 S121 G122 I125 | L115-A119 PolarHBondContact O-N 2.88Å; L115-A119 VanDerWaalsContact O-N 3.1Å; R116-A119 PolarHBondContact O-N 2.82Å; A117-A119 PolarHBondContact O-N 2.9Å; A119-S121 VanDerWaalsContact C-N 3.27Å; A119-S121 PolarHBondContact O-N 3.19Å; A119-G122 PolarHBondContact O-N 2.82Å; A119-G122 VanDerWaalsContact O-N 3.15Å; A119-I125 HydrophobicContact CB-CD1 4.44Å; A119-I125 HydrophobicContact CB-CG1 4.02Å |
| 120 | R | 95.3 | Very high | 95 | Very high | 190 Ų | 190 | 63.4 Ų | 63.4 | 72% | 0.717 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65.4 | -28.1 | 178.5 | -75.9 | -179.8 | 176.8 | 177.2 | -3.2 | 113.6 | R116 A117 G122 | R116-R120 WeakPolarHBondContact O-CB 3.29Å; R116-R120 WeakPolarHBondContact O-CG 3.49Å; R116-R120 PolarHBondContact O-N 3.14Å; A117-R120 PolarHBondContact O-N 3.42Å; R120-G122 PolarHBondContact O-N 2.84Å |
| 121 | S | 93.2 | Very high | 95.1 | Very high | 26 Ų | 26 | 66 Ų | 66 | 18% | 0.182 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -3.2 | 176.7 | 71.8 | 0 | 0 | 0 | 0 | 113.5 | A81 K85 A117 L118 A119 | A81-S121 VanDerWaalsContact CB-CB 3.48Å; A81-S121 WeakPolarHBondContact CB-OG 3.37Å; K85-S121 WeakPolarHBondContact CE-O 3.43Å; K85-S121 PolarHBondContact NZ-O 3.47Å; A117-S121 WeakPolarHBondContact O-CB 3.48Å; A117-S121 PolarHBondContact O-N 3.37Å; A117-S121 PolarHBondContact O-OG 3.32Å; L118-S121 PolarHBondContact O-N 3.12Å; L118-S121 PolarHBondContact O-OG 2.93Å; A119-S121 VanDerWaalsContact C-N 3.27Å; A119-S121 PolarHBondContact O-N 3.19Å |
| 122 | G | 90.9 | Very high | 95.2 | Very high | 55 Ų | 55 | 66 Ų | 66 | 57% | 0.567 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.7 | 10.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | A119 R120 | A119-G122 PolarHBondContact O-N 2.82Å; A119-G122 VanDerWaalsContact O-N 3.15Å; R120-G122 PolarHBondContact O-N 2.84Å |
| 123 | M | 93.2 | Very high | 95.2 | Very high | 7 Ų | 7 | 63.4 Ų | 63.4 | 3% | 0.034 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -76.3 | 130.3 | 170.4 | -57.7 | -60 | -75.6 | 0 | 0 | 109.4 | A81 C84 K85 I89 L92 L118 I125 | A81-M123 HydrophobicContact CB-CG 3.97Å; A81-M123 HydrophobicContact CB-SD 4.48Å; C84-M123 HydrophobicContact CB-CE 3.53Å; C84-M123 HydrophobicContact CB-SD 4.3Å; K85-M123 HydrophobicContact CG-SD 4.17Å; I89-M123 HydrophobicContact CB-CE 4.28Å; I89-M123 HydrophobicContact CG2-CE 3.91Å; I89-M123 WeakPolarHBondContact O-CE 3.31Å; L92-M123 HydrophobicContact CD1-CB 4.16Å; L92-M123 HydrophobicContact CD1-CE 3.7Å; L92-M123 HydrophobicContact CD1-CG 4.13Å; L92-M123 HydrophobicContact CD2-CE 4.23Å; L92-M123 HydrophobicContact CG-CE 3.74Å; L118-M123 PolarHBondContact O-N 2.92Å; M123-I125 PolarHBondContact O-N 2.82Å |
| 124 | K | 94.1 | Very high | 95.2 | Very high | 128 Ų | 128 | 67.9 Ų | 67.9 | 56% | 0.557 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 126.2 | 173.9 | -70.4 | 179.9 | 176.1 | -178 | 0 | 109.7 | V25 T90 A91 L92 | V25-K124 HydrophobicContact CG1-CD 3.66Å; T90-K124 PolarHBondContact O-N 3.4Å; A91-K124 CarbonylContact C-O 3.54Å; A91-K124 WeakPolarHBondContact CA-O 3.47Å; A91-K124 HydrophobicContact CB-CB 3.86Å; L92-K124 PolarHBondContact N-O 3.08Å |
| 125 | I | 95.2 | Very high | 95.1 | Very high | 59 Ų | 59 | 69.9 Ų | 69.9 | 30% | 0.303 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 124.3 | 179.5 | -54.3 | -49 | 0 | 0 | 0 | 109.2 | I94 L118 A119 M123 I128 | I94-I125 HydrophobicContact CD1-CD1 4.07Å; I94-I125 HydrophobicContact CD1-CG1 4.48Å; I94-I125 HydrophobicContact CD1-CG2 3.57Å; I94-I125 HydrophobicContact CG1-CG2 4.09Å; L118-I125 HydrophobicContact CB-CD1 4.5Å; A119-I125 HydrophobicContact CB-CD1 4.44Å; A119-I125 HydrophobicContact CB-CG1 4.02Å; M123-I125 PolarHBondContact O-N 2.82Å; I125-I128 HydrophobicContact CG2-CD1 4.1Å; I125-I128 HydrophobicContact CG2-CG1 4.03Å |
| 126 | G | 94 | Very high | 95 | Very high | 27 Ų | 27 | 74.5 Ų | 74.5 | 28% | 0.278 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -138.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L92 | L92-G126 PolarHBondContact O-N 3.39Å |
| 127 | R | 95.9 | Very high | 94.9 | Very high | 182 Ų | 182 | 75.8 Ų | 75.8 | 69% | 0.687 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 140.6 | 174.7 | -59.2 | -177.6 | -178.4 | 179.9 | 0.8 | 111.8 | H93 I94 | H93-R127 PolarHBondContact ND1-N 3.3Å; H93-R127 VanDerWaalsContact ND1-N 3.14Å; I94-R127 PolarHBondContact N-O 3.44Å |
| 128 | I | 96.5 | Very high | 94.7 | Very high | 103 Ų | 103 | 78 Ų | 78 | 53% | 0.528 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 122.4 | 175.4 | -55.1 | 173.4 | 0 | 0 | 0 | 107.1 | I94 L115 I125 | I94-I128 HydrophobicContact CB-CG1 4.24Å; I94-I128 HydrophobicContact CB-CG2 4.34Å; I94-I128 HydrophobicContact CD1-CG1 4.34Å; I94-I128 HydrophobicContact CG2-CG2 4.38Å; I94-I128 WeakPolarHBondContact O-CA 3.4Å; L115-I128 HydrophobicContact CD1-CD1 4.36Å; I125-I128 HydrophobicContact CG2-CD1 4.1Å; I125-I128 HydrophobicContact CG2-CG1 4.03Å |
| 129 | E | 96.7 | Very high | 94.6 | Very high | 89 Ų | 89 | 83.2 Ų | 83.2 | 42% | 0.416 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 140.8 | -179.2 | -68 | 172.5 | -174.6 | 0 | 0 | 109.8 | I94 K95 L96 | I94-E129 PolarHBondContact O-N 2.69Å; K95-E129 CarbonylContact C-O 3.57Å; K95-E129 WeakPolarHBondContact CA-O 3.34Å; L96-E129 PolarHBondContact N-O 3.49Å |
| 130 | D | 95.8 | Very high | 94.6 | Very high | 103 Ų | 103 | 90.8 Ų | 90.8 | 55% | 0.551 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 119.2 | 167.4 | -175.3 | 7.8 | 0 | 0 | 0 | 108.9 | L96 T132 | L96-D130 WeakPolarHBondContact O-CA 3.45Å; D130-T132 WeakPolarHBondContact OD1-CB 3.39Å; D130-T132 PolarHBondContact OD1-N 2.59Å; D130-T132 PolarHBondContact OD1-OG1 2.91Å |
| 131 | V | 96.4 | Very high | 94.5 | Very high | 56 Ų | 56 | 90.1 Ų | 90.1 | 34% | 0.339 | 48% | 0.476 | S | S | . | . | trans | -113.6 | 25 | 178.4 | -59.5 | 0 | 0 | 0 | 0 | 111.2 | K95 L96 R97 | K95-V131 HydrophobicContact CB-CG1 4.18Å; K95-V131 HydrophobicContact CB-CG2 3.85Å; K95-V131 HydrophobicContact CD-CG1 4.08Å; K95-V131 HydrophobicContact CG-CG1 4.05Å; L96-V131 WeakPolarHBondContact O-CG2 3.19Å; L96-V131 PolarHBondContact O-N 2.9Å; R97-V131 HydrophobicContact CB-CG2 3.99Å; R97-V131 HydrophobicContact CG-CG2 4.41Å | ||
| 132 | T | 96.6 | Very high | 94.3 | Very high | 10 Ų | 10 | 98.6 Ų | 98.6 | 6% | 0.061 | 51% | 0.509 | C | S | . | . | trans | -55.9 | 125.1 | 172.4 | -63.5 | 0 | 0 | 0 | 0 | 109.5 | A98 K105 D130 I134 | A98-T132 HydrophobicContact CB-CG2 3.8Å; A98-T132 WeakPolarHBondContact CB-OG1 3.45Å; A98-T132 PolarHBondContact N-OG1 3.41Å; K105-T132 HydrophobicContact CB-CG2 4.25Å; D130-T132 WeakPolarHBondContact OD1-CB 3.39Å; D130-T132 PolarHBondContact OD1-N 2.59Å; D130-T132 PolarHBondContact OD1-OG1 2.91Å; T132-I134 PolarHBondContact O-N 3.09Å | ||
| 133 | P | 96.2 | Very high | 94.2 | Very high | 49 Ų | 49 | 98 Ų | 98 | 32% | 0.318 | 50% | 0.503 | S | S | . | . | trans | -67.3 | 113.8 | -177.4 | 22.7 | -29.4 | 0 | 0 | 0 | 110 | G101 | G101-P133 PolarHBondContact N-O 2.93Š| ||
| 134 | I | 95 | Very high | 94.1 | Very high | 122 Ų | 122 | 100 Ų | 100 | 63% | 0.626 | 53% | 0.526 | S | S | * | . | trans | -105.2 | 113.8 | 176.7 | -64 | 168.4 | 0 | 0 | 0 | 107.9 | T132 | T132-I134 PolarHBondContact O-N 3.09Š| ||
| 135 | P | 94.2 | Very high | 93.9 | Very high | 42 Ų | 42 | 105.6 Ų | 105.6 | 27% | 0.273 | 54% | 0.544 | S | S | . | . | trans | -76.8 | 141.1 | 177.5 | 32.1 | -34.2 | 0 | 0 | 0 | 110.9 | D137 | P135-D137 WeakPolarHBondContact CB-O 3.16Š| ||
| 136 | S | 95 | Very high | 93.8 | Very high | 141 Ų | 141 | 112.5 Ų | 112.5 | 99% | 0.986 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -61.9 | -47.4 | 173.6 | -50 | 0 | 0 | 0 | 0 | 111.3 | ||
| 137 | D | 93.4 | Very high | 93.5 | Very high | 150 Ų | 150 | 113.2 Ų | 113.2 | 80% | 0.802 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -135.7 | 153.7 | 160.1 | -168 | 9.4 | 0 | 0 | 0 | 107.9 | P135 | P135-D137 WeakPolarHBondContact CB-O 3.16Š|
| 138 | S | 91.5 | Very high | 93.2 | Very high | 52 Ų | 52 | 114.8 Ų | 114.8 | 36% | 0.364 | 58% | 0.579 | S | S | . | * | trans | -112.2 | 146.8 | -167.3 | 75.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 139 | T | 93.3 | Very high | 92.7 | Very high | 110 Ų | 110 | 119.3 Ų | 119.3 | 68% | 0.675 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 164.9 | 167.4 | 56.7 | 0 | 0 | 0 | 0 | 110.7 | T102 R141 | T102-T139 WeakPolarHBondContact CG2-O 3.41Å; T102-T139 WeakPolarHBondContact CG2-OG1 3.43Å; T139-R141 PolarHBondContact O-N 3.06Å; T139-R141 VanDerWaalsContact O-N 3.16Å |
| 140 | R | 94.1 | Very high | 92 | Very high | 206 Ų | 206 | 124.6 Ų | 124.6 | 78% | 0.777 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 124.6 | 178.1 | -173.5 | 177 | 179.5 | -179 | 0.5 | 110.9 | ||
| 141 | R | 92.8 | Very high | 91.9 | Very high | 176 Ų | 176 | 125.7 Ų | 125.7 | 66% | 0.664 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 150.6 | 178.9 | -62 | -169.3 | 179.9 | 176.1 | 0.8 | 111.6 | T102 T139 G143 | T102-R141 WeakPolarHBondContact O-CG 3.49Å; T139-R141 PolarHBondContact O-N 3.06Å; T139-R141 VanDerWaalsContact O-N 3.16Å; R141-G143 PolarHBondContact O-N 3.16Å; R141-G143 VanDerWaalsContact O-N 3.09Å |
| 142 | K | 88.7 | Confident | 91.6 | Very high | 203 Ų | 203 | 129.4 Ų | 129.4 | 88% | 0.883 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -67.6 | 107 | 171.7 | -173.8 | 178 | 179.7 | 178.9 | 0 | 109.2 | ||
| 143 | G | 90.8 | Very high | 91.3 | Very high | 42 Ų | 42 | 136 Ų | 136 | 43% | 0.433 | 67% | 0.67 | S | S | . | * | S | Bend | trans | 162.2 | 156.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111 | R141 | R141-G143 PolarHBondContact O-N 3.16Å; R141-G143 VanDerWaalsContact O-N 3.09Å |
| 144 | G | 90.1 | Very high | 91 | Very high | 51 Ų | 51 | 141.1 Ų | 141.1 | 53% | 0.526 | 69% | 0.69 | S | S | . | * | B | Isolated β-bridge | trans | -66.7 | 168.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | R146 G147 | G144-R146 PolarHBondContact O-N 2.88Å; G144-R146 VanDerWaalsContact O-N 3.11Å; G144-G147 PolarHBondContact O-N 3.11Å |
| 145 | R | 90.3 | Very high | 90.8 | Very high | 245 Ų | 245 | 142.3 Ų | 142.3 | 93% | 0.925 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | -30 | 172 | -177.5 | 176.2 | 177.7 | 179.5 | -0.2 | 112.3 | ||
| 146 | R | 91.6 | Very high | 90.6 | Very high | 204 Ų | 204 | 149 Ų | 149 | 77% | 0.77 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | 8 | 177.3 | -58.8 | -178.6 | -178.2 | 172.8 | 0.1 | 113.8 | G144 | G144-R146 PolarHBondContact O-N 2.88Å; G144-R146 VanDerWaalsContact O-N 3.11Å |
| 147 | G | 89.5 | Confident | 90.3 | Very high | 41 Ų | 41 | 149.6 Ų | 149.6 | 42% | 0.423 | 70% | 0.704 | S | S | . | * | B | Isolated β-bridge | trans | 74.7 | -164.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | G144 | G144-G147 PolarHBondContact O-N 3.11Å |
| 148 | R | 88.9 | Confident | 90 | Very high | 215 Ų | 215 | 149.5 Ų | 149.5 | 81% | 0.811 | 70% | 0.696 | S | S | * | * | trans | -89.7 | 118.5 | 172.5 | -176 | -177.6 | -177.8 | -154.3 | -4.5 | 107.7 | L150 | R148-L150 HydrophobicContact CG-CB 4.49Å; R148-L150 HydrophobicContact CG-CD1 4.48Å | ||
| 149 | R | 86.5 | Confident | 89.9 | Confident | 199 Ų | 199 | 157.7 Ų | 157.7 | 75% | 0.751 | 72% | 0.724 | S | S | * | * | trans | -102.4 | 37.8 | -173 | -54.9 | -179 | 83.4 | -166.1 | 5.6 | 112.9 | ||||
| 150 | L | 82.3 | Confident | 89.6 | Confident | 200 Ų | 200 | 162 Ų | 162 | 100% | 1.047 | 73% | 0.728 | S | S | * | * | trans | -98.8 | 0 | 173.1 | -71.4 | 169.8 | 0 | 0 | 0 | 109 | R148 | R148-L150 HydrophobicContact CG-CB 4.49Å; R148-L150 HydrophobicContact CG-CD1 4.48Å |
Retrieved 150 of 150 residues in 101.6 ms
(Link to these results)