| 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 | 55.8 | Low | 59.5 | Low | 244 Ų | 244 | 178.6 Ų | 178.6 | 100% | 1.202 | 88% | 0.883 | S | S | * | * | 0 | 109.1 | 0 | -154 | 172 | -171.6 | 0 | 0 | 107 | |||||
| 2 | A | 68.1 | Low | 59.7 | Low | 96 Ų | 96 | 178.3 Ų | 178.3 | 79% | 0.793 | 88% | 0.878 | S | S | * | * | trans | -73.4 | 129.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | R4 | A2-R4 PolarHBondContact O-N 3.11Š| ||
| 3 | P | 68.9 | Low | 59.8 | Low | 123 Ų | 123 | 178 Ų | 178 | 80% | 0.799 | 87% | 0.873 | S | S | * | * | trans | -69.6 | 128 | 176.6 | 27.2 | -31 | 0 | 0 | 0 | 109.7 | K5 | P3-K5 PolarHBondContact O-N 3.42Å; P3-K5 VanDerWaalsContact O-N 3.11Å | ||
| 4 | R | 65 | Low | 60.2 | Low | 249 Ų | 249 | 174.5 Ų | 174.5 | 94% | 0.94 | 87% | 0.866 | S | S | * | * | trans | -58.7 | 113.9 | 170.2 | -79.4 | 177.6 | 164.8 | 170.1 | -4.4 | 108.3 | A2 G6 | A2-R4 PolarHBondContact O-N 3.11Å; R4-G6 PolarHBondContact O-N 3.03Å | ||
| 5 | K | 61 | Low | 60.9 | Low | 209 Ų | 209 | 172.1 Ų | 172.1 | 91% | 0.909 | 86% | 0.856 | S | S | * | * | trans | -51.8 | 111.8 | 166.7 | -89.8 | -178.5 | 171.8 | -179.3 | 0 | 108.4 | P3 K7 | P3-K5 PolarHBondContact O-N 3.42Å; P3-K5 VanDerWaalsContact O-N 3.11Å; K5-K7 PolarHBondContact O-N 3.16Å | ||
| 6 | G | 54.4 | Low | 61.2 | Low | 69 Ų | 69 | 166.5 Ų | 166.5 | 71% | 0.711 | 84% | 0.838 | S | S | * | * | trans | -60.1 | 131.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | R4 E8 | R4-G6 PolarHBondContact O-N 3.03Å; G6-E8 PolarHBondContact O-N 3.45Å; G6-E8 VanDerWaalsContact O-N 3.16Å | ||
| 7 | K | 57.9 | Low | 61.9 | Low | 207 Ų | 207 | 166.2 Ų | 166.2 | 90% | 0.9 | 84% | 0.839 | S | S | * | * | trans | -60.2 | 114.7 | 166 | -91.9 | 178.8 | 170.8 | 179.8 | 0 | 107.6 | K5 K9 | K5-K7 PolarHBondContact O-N 3.16Å; K7-K9 PolarHBondContact O-N 3.09Å | ||
| 8 | E | 57.3 | Low | 62.4 | Low | 188 Ų | 188 | 158 Ų | 158 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | -54.1 | 118.7 | 163.2 | -74.1 | 173.8 | 164.2 | 0 | 0 | 108.1 | G6 K10 | G6-E8 PolarHBondContact O-N 3.45Å; G6-E8 VanDerWaalsContact O-N 3.16Å; E8-K10 PolarHBondContact O-N 3.17Å; E8-K10 VanDerWaalsContact O-N 3.09Å | ||
| 9 | K | 54.7 | Low | 63.1 | Low | 198 Ų | 198 | 153.5 Ų | 153.5 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | -68.3 | 104.6 | 166.9 | -77.6 | 179.6 | 175.6 | 179.9 | 0 | 106.1 | K7 E11 | K7-K9 PolarHBondContact O-N 3.09Å; K9-E11 PolarHBondContact O-N 3.13Å; K9-E11 VanDerWaalsContact O-N 3.13Å | ||
| 10 | K | 55.3 | Low | 63.9 | Low | 194 Ų | 194 | 156 Ų | 156 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | -56.2 | 116.9 | 160.3 | -89.7 | -178.6 | 172.2 | -177.8 | 0 | 106.9 | E8 E12 | E8-K10 PolarHBondContact O-N 3.17Å; E8-K10 VanDerWaalsContact O-N 3.09Å; K10-E12 VanDerWaalsContact C-N 3.34Å; K10-E12 PolarHBondContact O-N 3.13Å | ||
| 11 | E | 56.4 | Low | 64.7 | Low | 188 Ų | 188 | 151.4 Ų | 151.4 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | trans | -64.2 | 100.1 | 165.6 | -70 | 179.6 | 166.4 | 0 | 0 | 106.9 | K9 Q13 | K9-E11 PolarHBondContact O-N 3.13Å; K9-E11 VanDerWaalsContact O-N 3.13Å; E11-Q13 PolarHBondContact O-N 2.99Å; E11-Q13 VanDerWaalsContact O-N 3.13Å | ||
| 12 | E | 61.5 | Low | 65.8 | Low | 175 Ų | 175 | 142.8 Ų | 142.8 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | -67 | 108.3 | 165.5 | -76.7 | 179.7 | 168.5 | 0 | 0 | 106.8 | K10 V14 | K10-E12 VanDerWaalsContact C-N 3.34Å; K10-E12 PolarHBondContact O-N 3.13Å; E12-V14 PolarHBondContact O-N 3.02Å | ||
| 13 | Q | 61.5 | Low | 66.3 | Low | 174 Ų | 174 | 147.9 Ų | 147.9 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | trans | -57.7 | 112.5 | 169 | -73.3 | -178.8 | -11.2 | 0 | 0 | 107.7 | E11 I15 | E11-Q13 PolarHBondContact O-N 2.99Å; E11-Q13 VanDerWaalsContact O-N 3.13Å; Q13-I15 VanDerWaalsContact C-N 3.32Å; Q13-I15 PolarHBondContact O-N 3Å | ||
| 14 | V | 64.8 | Low | 66.9 | Low | 129 Ų | 129 | 145.5 Ų | 145.5 | 78% | 0.782 | 75% | 0.746 | S | S | * | * | trans | -71.2 | 93.9 | 174.7 | -178.6 | 0 | 0 | 0 | 0 | 107.1 | E12 S16 | E12-V14 PolarHBondContact O-N 3.02Å; V14-S16 PolarHBondContact O-N 2.92Å | ||
| 15 | I | 71.1 | Confident | 68 | Low | 138 Ų | 138 | 139.4 Ų | 139.4 | 71% | 0.708 | 73% | 0.728 | S | S | * | * | trans | -71.3 | 95.8 | 171.6 | -56.6 | 172.7 | 0 | 0 | 0 | 106.8 | Q13 L17 | Q13-I15 VanDerWaalsContact C-N 3.32Å; Q13-I15 PolarHBondContact O-N 3Å; I15-L17 HydrophobicContact CG2-CD2 4.27Å; I15-L17 HydrophobicContact CG2-CG 4.49Å; I15-L17 PolarHBondContact O-N 3.29Å | ||
| 16 | S | 65.9 | Low | 69.4 | Low | 83 Ų | 83 | 132.7 Ų | 132.7 | 58% | 0.58 | 70% | 0.702 | S | S | * | * | trans | -81.5 | 108.9 | 170.7 | 60.3 | 0 | 0 | 0 | 0 | 109.2 | V14 G18 | V14-S16 PolarHBondContact O-N 2.92Å; S16-G18 PolarHBondContact O-N 3.41Å | ||
| 17 | L | 72.7 | Confident | 71.2 | Confident | 161 Ų | 161 | 130.8 Ų | 130.8 | 84% | 0.843 | 68% | 0.677 | S | S | * | * | trans | -78.6 | 10.6 | 168 | -64.5 | 176.2 | 0 | 0 | 0 | 112.7 | I15 | I15-L17 HydrophobicContact CG2-CD2 4.27Å; I15-L17 HydrophobicContact CG2-CG 4.49Å; I15-L17 PolarHBondContact O-N 3.29Å | ||
| 18 | G | 70.4 | Confident | 73 | Confident | 19 Ų | 19 | 124.6 Ų | 124.6 | 20% | 0.196 | 65% | 0.65 | C | S | . | * | S | Bend | trans | -70.3 | 167.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S16 L88 | S16-G18 PolarHBondContact O-N 3.41Å; G18-L88 VanDerWaalsContact CA-O 3.28Å; G18-L88 WeakPolarHBondContact CA-O 3.32Å |
| 19 | P | 77.1 | Confident | 74.8 | Confident | 72 Ų | 72 | 115.7 Ų | 115.7 | 47% | 0.468 | 61% | 0.608 | S | S | . | * | trans | -60.5 | 139.3 | 177.6 | 27.7 | -34.5 | 0 | 0 | 0 | 110.7 | V21 V27 | P19-V21 HydrophobicContact CB-CG2 3.68Å; P19-V21 HydrophobicContact CG-CG2 3.97Å; P19-V21 PolarHBondContact O-N 2.78Å; P19-V27 HydrophobicContact CG-CB 4.41Å; P19-V27 HydrophobicContact CG-CG1 3.8Å; P19-V27 HydrophobicContact CG-CG2 3.77Å | ||
| 20 | Q | 78.2 | Confident | 76.8 | Confident | 203 Ų | 203 | 106.7 Ų | 106.7 | 95% | 0.949 | 57% | 0.57 | S | S | * | * | trans | -84.3 | 107.4 | 172.1 | -65.6 | -179.5 | 0.2 | 0 | 0 | 108 | ||||
| 21 | V | 80.2 | Confident | 78.8 | Confident | 60 Ų | 60 | 97.4 Ų | 97.4 | 36% | 0.364 | 53% | 0.53 | S | S | . | . | trans | -129.5 | 145.5 | -171.8 | -158 | 0 | 0 | 0 | 0 | 109.5 | P19 E25 V27 | P19-V21 HydrophobicContact CB-CG2 3.68Å; P19-V21 HydrophobicContact CG-CG2 3.97Å; P19-V21 PolarHBondContact O-N 2.78Å; V21-E25 HydrophobicContact CG1-CB 3.38Å; V21-E25 HydrophobicContact CG1-CG 4.26Å; V21-E25 WeakPolarHBondContact CG1-OE2 3.41Å; V21-V27 HydrophobicContact CB-CG2 4.31Å; V21-V27 HydrophobicContact CG1-CG2 4.39Å; V21-V27 HydrophobicContact CG2-CG2 3.5Å | ||
| 22 | A | 79.5 | Confident | 80.7 | Confident | 63 Ų | 63 | 91.2 Ų | 91.2 | 52% | 0.521 | 50% | 0.501 | S | S | . | . | trans | -62.8 | 152.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | G24 E25 | A22-G24 PolarHBondContact O-N 3.31Å; A22-E25 HydrophobicContact CB-CG 4.48Å; A22-E25 PolarHBondContact O-N 3.15Å | ||
| 23 | E | 78.2 | Confident | 82.4 | Confident | 204 Ų | 204 | 82.9 Ų | 82.9 | 95% | 0.953 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 125.4 | 175.8 | -69 | -175.5 | 174.5 | 0 | 0 | 110.8 | ||
| 24 | G | 81.1 | Confident | 84.2 | Confident | 72 Ų | 72 | 77 Ų | 77 | 74% | 0.742 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97 | -12.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | A22 | A22-G24 PolarHBondContact O-N 3.31Š|
| 25 | E | 88.8 | Confident | 85.7 | Confident | 122 Ų | 122 | 70.9 Ų | 70.9 | 57% | 0.57 | 40% | 0.396 | S | S | * | . | trans | -75.9 | 142.3 | 173.7 | -78.2 | -173.5 | -179.3 | 0 | 0 | 111.8 | V21 A22 | V21-E25 HydrophobicContact CG1-CB 3.38Å; V21-E25 HydrophobicContact CG1-CG 4.26Å; V21-E25 WeakPolarHBondContact CG1-OE2 3.41Å; A22-E25 HydrophobicContact CB-CG 4.48Å; A22-E25 PolarHBondContact O-N 3.15Å | ||
| 26 | N | 90 | Very high | 86.9 | Confident | 67 Ų | 67 | 65 Ų | 65 | 36% | 0.358 | 37% | 0.367 | S | S | . | . | trans | -95.7 | 119 | -180 | -65 | -38.9 | 0 | 0 | 0 | 110.4 | F28 T91 A92 K125 | N26-F28 HydrophobicContact CB-CD2 4.12Å; N26-F28 HydrophobicContact CB-CE2 3.64Å; N26-F28 HydrophobicContact CB-CZ 4.23Å; N26-F28 WeakPolarHBondContact O-CD2 3.23Å; N26-F28 PolarHBondContact O-N 3.22Å; N26-T91 VanDerWaalsContact CA-OG1 3.25Å; N26-T91 WeakPolarHBondContact CA-OG1 3.13Å; N26-A92 HydrophobicContact CB-CB 4.18Å; N26-K125 VanDerWaalsContact OD1-CD 3.22Å; N26-K125 WeakPolarHBondContact OD1-CD 3.5Å; N26-K125 WeakPolarHBondContact OD1-CE 3.47Å; N26-K125 PolarHBondContact OD1-NZ 3.41Å | ||
| 27 | V | 93.2 | Very high | 88.3 | Confident | 30 Ų | 30 | 66 Ų | 66 | 18% | 0.182 | 36% | 0.362 | C | S | . | . | trans | -82.4 | 114.4 | 166.9 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | P19 V21 I90 T91 A92 | P19-V27 HydrophobicContact CG-CB 4.41Å; P19-V27 HydrophobicContact CG-CG1 3.8Å; P19-V27 HydrophobicContact CG-CG2 3.77Å; V21-V27 HydrophobicContact CB-CG2 4.31Å; V21-V27 HydrophobicContact CG1-CG2 4.39Å; V21-V27 HydrophobicContact CG2-CG2 3.5Å; V27-I90 HydrophobicContact CG1-CG1 4.35Å; V27-T91 PolarHBondContact N-OG1 3Å; V27-T91 PolarHBondContact O-N 3.3Å; V27-T91 PolarHBondContact O-OG1 3.43Å; V27-A92 PolarHBondContact O-N 3.1Å | ||
| 28 | F | 94 | Very high | 89.3 | Confident | 76 Ų | 76 | 64.3 Ų | 64.3 | 33% | 0.333 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 127.2 | 179.5 | -78.8 | -86.9 | 0 | 0 | 0 | 112.1 | N26 L47 A92 H94 | N26-F28 HydrophobicContact CB-CD2 4.12Å; N26-F28 HydrophobicContact CB-CE2 3.64Å; N26-F28 HydrophobicContact CB-CZ 4.23Å; N26-F28 WeakPolarHBondContact O-CD2 3.23Å; N26-F28 PolarHBondContact O-N 3.22Å; F28-L47 HydrophobicContact CB-CD2 4.2Å; F28-A92 CarbonylContact C-O 3.46Å; F28-A92 WeakPolarHBondContact CA-O 3.49Å; F28-A92 HydrophobicContact CD1-CB 3.58Å; F28-A92 HydrophobicContact CD2-CB 4.38Å; F28-A92 HydrophobicContact CE1-CB 3.5Å; F28-A92 VanDerWaalsContact CE1-CB 3.5Å; F28-A92 HydrophobicContact CE2-CB 4.32Å; F28-A92 HydrophobicContact CG-CB 4.04Å; F28-A92 HydrophobicContact CZ-CB 3.89Å; F28-H94 AromaticContact CD1-CD2 3.7Å; F28-H94 AromaticContact CD1-CE1 3.78Å; F28-H94 AromaticContact CD1-NE2 3.36Å; F28-H94 WeakPolarHBondContact CD1-NE2 3.5Å; F28-H94 AromaticContact CE1-CE1 3.79Å; F28-H94 AromaticContact CE1-NE2 3.81Å; F28-H94 AromaticContact CG-NE2 3.87Å |
| 29 | G | 95.2 | Very high | 90.6 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 174.9 | 159.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A92 L93 H94 | G29-A92 PolarHBondContact N-O 3.46Å; G29-L93 CarbonylContact O-C 3.48Å; G29-L93 WeakPolarHBondContact O-CA 3.48Å; G29-H94 PolarHBondContact O-N 3.1Å |
| 30 | V | 97.1 | Very high | 91.5 | Very high | 9 Ų | 9 | 60.7 Ų | 60.7 | 6% | 0.055 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 116.2 | 173.1 | -173.8 | 0 | 0 | 0 | 0 | 109.2 | H32 V44 T45 L47 H94 K96 | V30-H32 WeakPolarHBondContact CG1-NE2 3.28Å; V30-V44 CarbonylContact O-C 3.55Å; V30-V44 WeakPolarHBondContact O-CA 3.41Å; V30-T45 PolarHBondContact N-O 3.28Å; V30-T45 PolarHBondContact O-N 3.49Å; V30-T45 PolarHBondContact O-OG1 2.94Å; V30-L47 HydrophobicContact CG2-CD2 3.99Å; V30-H94 CarbonylContact C-O 3.59Å; V30-H94 HydrophobicContact CG2-CB 4.41Å; V30-K96 HydrophobicContact CG1-CD 3.9Å; V30-K96 HydrophobicContact CG1-CG 4.1Å |
| 31 | C | 97.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 105.8 | 173.3 | -174.4 | 0 | 0 | 0 | 0 | 110.3 | I33 H43 V44 L93 H94 I95 K96 | C31-I33 PolarHBondContact O-N 3.23Å; C31-H43 CarbonylContact C-O 3.59Å; C31-H43 WeakPolarHBondContact CA-O 2.96Å; C31-V44 HydrophobicContact CB-CG2 4.12Å; C31-L93 HydrophobicContact CB-CB 4.2Å; C31-L93 HydrophobicContact CB-CD1 4.21Å; C31-H94 PolarHBondContact N-O 2.7Å; C31-I95 WeakPolarHBondContact O-CA 3.42Å; C31-K96 PolarHBondContact O-N 3.26Å |
| 32 | H | 97.7 | Very high | 93.3 | Very high | 58 Ų | 58 | 51.4 Ų | 51.4 | 27% | 0.269 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 106.9 | 169.3 | -61.8 | -89.2 | 0 | 0 | 0 | 109.5 | V30 H43 T45 K96 | V30-H32 WeakPolarHBondContact CG1-NE2 3.28Å; H32-H43 HydrophobicContact CB-CB 4.34Å; H32-H43 PolarHBondContact N-O 2.93Å; H32-H43 PolarHBondContact O-N 3.36Å; H32-T45 PolarHBondContact NE2-OG1 3.4Å; H32-K96 WeakPolarHBondContact CA-O 3.36Å |
| 33 | I | 97.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 104.2 | 175.2 | -57.7 | -179.9 | 0 | 0 | 0 | 107.9 | C31 F41 I95 K96 L97 R98 A115 L116 L119 | C31-I33 PolarHBondContact O-N 3.23Å; I33-F41 WeakPolarHBondContact CA-O 3.4Å; I33-I95 HydrophobicContact CD1-CG2 3.8Å; I33-I95 HydrophobicContact CG1-CG2 4.28Å; I33-K96 PolarHBondContact N-O 2.55Å; I33-L97 HydrophobicContact CB-CD1 4.02Å; I33-L97 HydrophobicContact CG2-CD1 3.83Å; I33-L97 CarbonylContact O-C 3.58Å; I33-R98 PolarHBondContact O-N 3.48Å; I33-A115 HydrophobicContact CD1-CB 4.4Å; I33-A115 HydrophobicContact CG2-CB 4.33Å; I33-L116 HydrophobicContact CD1-CB 4.35Å; I33-L119 HydrophobicContact CD1-CD1 4.06Å |
| 34 | F | 97.4 | Very high | 95 | Very high | 50 Ų | 50 | 40.9 Ų | 40.9 | 22% | 0.219 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 109.8 | 172.7 | 175.5 | -100.9 | 0 | 0 | 0 | 109.6 | T40 F41 R98 | F34-T40 CarbonylContact O-C 3.59Å; F34-T40 WeakPolarHBondContact O-CA 3.06Å; F34-F41 HydrophobicContact CB-CB 4.12Å; F34-F41 AromaticContact CD1-CD2 3.68Å; F34-F41 HydrophobicContact CD1-CD2 3.68Å; F34-F41 HydrophobicContact CD1-CE2 4.19Å; F34-F41 HydrophobicContact CD1-CG 4.36Å; F34-F41 HydrophobicContact CE1-CD2 4.44Å; F34-F41 PolarHBondContact N-O 3.45Å; F34-F41 PolarHBondContact O-N 3.44Å; F34-R98 CarbonylContact C-O 3.57Å; F34-R98 WeakPolarHBondContact CA-O 2.86Å; F34-R98 HydrophobicContact CD2-CB 4.14Å; F34-R98 HydrophobicContact CD2-CG 3.83Å; F34-R98 HydrophobicContact CE2-CG 4.39Å |
| 35 | A | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 107 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | T40 R98 P108 G109 A112 | A35-T40 HydrophobicContact CB-CG2 4.2Å; A35-R98 PolarHBondContact N-O 3.36Å; A35-P108 HydrophobicContact CB-CB 4.39Å; A35-G109 PolarHBondContact O-N 2.88Å; A35-A112 HydrophobicContact CB-CB 3.56Å |
| 36 | S | 96 | Very high | 96 | Very high | 15 Ų | 15 | 33.6 Ų | 33.6 | 11% | 0.105 | 17% | 0.165 | C | C | . | . | trans | -102.2 | 173 | 171 | 74.6 | 0 | 0 | 0 | 0 | 110.5 | N38 D39 G109 | S36-N38 PolarHBondContact O-N 3.46Å; S36-N38 PolarHBondContact OG-N 3.14Å; S36-D39 PolarHBondContact N-O 3.24Å; S36-D39 PolarHBondContact OG-N 3.22Å; S36-D39 PolarHBondContact OG-O 2.97Å; S36-G109 WeakPolarHBondContact O-CA 3.46Å | ||
| 37 | F | 95 | Very high | 96.2 | Very high | 104 Ų | 104 | 36.1 Ų | 36.1 | 46% | 0.456 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -71.8 | -13.2 | 173.6 | -71.6 | -77.9 | 0 | 0 | 0 | 113.4 | S69 T105 | F37-S69 VanDerWaalsContact O-CB 3.26Å; F37-S69 WeakPolarHBondContact O-CB 3.44Å; F37-S69 PolarHBondContact O-OG 3Å; F37-T105 HydrophobicContact CD2-CG2 4.25Å; F37-T105 HydrophobicContact CE2-CG2 3.79Å; F37-T105 WeakPolarHBondContact CE2-OG1 3.32Å |
| 38 | N | 95.6 | Very high | 96.3 | Very high | 125 Ų | 125 | 38.1 Ų | 38.1 | 67% | 0.668 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -107.2 | -37.8 | -176.2 | -64 | -4.3 | 0 | 0 | 0 | 112.1 | S36 E68 S69 | S36-N38 PolarHBondContact O-N 3.46Å; S36-N38 PolarHBondContact OG-N 3.14Å; N38-E68 CarbonylContact O-C 3.56Å; N38-E68 WeakPolarHBondContact O-CB 3.45Å; N38-S69 VanDerWaalsContact C-CB 3.49Å; N38-S69 WeakPolarHBondContact O-CB 3.42Å; N38-S69 PolarHBondContact O-N 3.4Å |
| 39 | D | 96.8 | Very high | 96.2 | Very high | 16 Ų | 16 | 36.4 Ų | 36.4 | 9% | 0.086 | 20% | 0.197 | C | C | . | . | trans | -147.9 | 161.1 | 178.8 | -168.6 | 14.3 | 0 | 0 | 0 | 111.7 | S36 F41 G58 G59 E68 | S36-D39 PolarHBondContact N-O 3.24Å; S36-D39 PolarHBondContact OG-N 3.22Å; S36-D39 PolarHBondContact OG-O 2.97Å; D39-F41 HydrophobicContact CB-CE2 3.99Å; D39-F41 WeakPolarHBondContact OD2-CE2 2.91Å; D39-F41 WeakPolarHBondContact OD2-CZ 3.42Å; D39-G58 PolarHBondContact OD1-N 2.76Å; D39-G59 PolarHBondContact OD1-N 3.16Å; D39-E68 HydrophobicContact CB-CB 4.05Å | ||
| 40 | T | 97.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 128.3 | 175 | 55.3 | 0 | 0 | 0 | 0 | 111.4 | F34 A35 T57 G58 A74 G111 | F34-T40 CarbonylContact O-C 3.59Å; F34-T40 WeakPolarHBondContact O-CA 3.06Å; A35-T40 HydrophobicContact CB-CG2 4.2Å; T40-T57 CarbonylContact O-C 3.6Å; T40-T57 WeakPolarHBondContact O-CA 3.41Å; T40-G58 PolarHBondContact O-N 3.32Å; T40-A74 HydrophobicContact CG2-CB 4.32Å; T40-A74 WeakPolarHBondContact OG1-CB 3.39Å; T40-G111 VanDerWaalsContact CG2-CA 3.5Å |
| 41 | F | 97.5 | Very high | 95.8 | Very high | 68 Ų | 68 | 51.1 Ų | 51.1 | 30% | 0.298 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 131.2 | 179.5 | -67.4 | -114.9 | 0 | 0 | 0 | 108.8 | I33 F34 D39 T57 | I33-F41 WeakPolarHBondContact CA-O 3.4Å; F34-F41 HydrophobicContact CB-CB 4.12Å; F34-F41 AromaticContact CD1-CD2 3.68Å; F34-F41 HydrophobicContact CD1-CD2 3.68Å; F34-F41 HydrophobicContact CD1-CE2 4.19Å; F34-F41 HydrophobicContact CD1-CG 4.36Å; F34-F41 HydrophobicContact CE1-CD2 4.44Å; F34-F41 PolarHBondContact N-O 3.45Å; F34-F41 PolarHBondContact O-N 3.44Å; D39-F41 HydrophobicContact CB-CE2 3.99Å; D39-F41 WeakPolarHBondContact OD2-CE2 2.91Å; D39-F41 WeakPolarHBondContact OD2-CZ 3.42Å; F41-T57 HydrophobicContact CD1-CG2 3.39Å; F41-T57 HydrophobicContact CE1-CG2 3.35Å; F41-T57 HydrophobicContact CG-CG2 4.03Å; F41-T57 HydrophobicContact CZ-CG2 3.96Å |
| 42 | V | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 104.5 | 168.3 | -170.7 | 0 | 0 | 0 | 0 | 106.6 | V56 A77 A78 V81 A115 L119 | V42-V56 PolarHBondContact N-O 3.47Å; V42-V56 PolarHBondContact O-N 2.92Å; V42-A77 HydrophobicContact CG2-CB 4.36Å; V42-A78 HydrophobicContact CG2-CB 4.43Å; V42-V81 HydrophobicContact CB-CG2 3.99Å; V42-V81 HydrophobicContact CG1-CB 4.01Å; V42-V81 HydrophobicContact CG1-CG1 3.84Å; V42-V81 HydrophobicContact CG1-CG2 3.78Å; V42-A115 HydrophobicContact CG2-CB 4.03Å; V42-L119 HydrophobicContact CG1-CD1 4.44Å |
| 43 | H | 97.8 | Very high | 95.5 | Very high | 45 Ų | 45 | 55.6 Ų | 55.6 | 21% | 0.208 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 116.6 | -175.3 | 179 | -134.4 | 0 | 0 | 0 | 109.9 | C31 H32 T45 T52 C54 | C31-H43 CarbonylContact C-O 3.59Å; C31-H43 WeakPolarHBondContact CA-O 2.96Å; H32-H43 HydrophobicContact CB-CB 4.34Å; H32-H43 PolarHBondContact N-O 2.93Å; H32-H43 PolarHBondContact O-N 3.36Å; H43-T45 WeakPolarHBondContact CE1-CG2 3.42Å; H43-T52 WeakPolarHBondContact NE2-CB 3.38Å; H43-T52 WeakPolarHBondContact NE2-CG2 3.5Å; H43-C54 PolarHBondContact CD2-O 3.48Å; H43-C54 VanDerWaalsContact CD2-O 3.31Å |
| 44 | V | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 131.6 | 179.1 | -174.8 | 0 | 0 | 0 | 0 | 109.8 | V30 C31 I53 C54 V81 L93 | V30-V44 CarbonylContact O-C 3.55Å; V30-V44 WeakPolarHBondContact O-CA 3.41Å; C31-V44 HydrophobicContact CB-CG2 4.12Å; V44-I53 HydrophobicContact CB-CB 4.5Å; V44-I53 HydrophobicContact CG1-CB 4.39Å; V44-I53 HydrophobicContact CG1-CD1 4.29Å; V44-I53 WeakPolarHBondContact O-CB 3.43Å; V44-I53 PolarHBondContact O-N 3.33Å; V44-C54 PolarHBondContact N-O 3.32Å; V44-C54 PolarHBondContact O-N 3.28Å; V44-V81 HydrophobicContact CG2-CG1 3.44Å; V44-V81 VanDerWaalsContact CG2-CG1 3.44Å; V44-L93 HydrophobicContact CG1-CD2 3.59Å; V44-L93 HydrophobicContact CG2-CD1 4.45Å; V44-L93 HydrophobicContact CG2-CD2 4.39Å |
| 45 | T | 97 | Very high | 95.3 | Very high | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 172.4 | 176.3 | 63.3 | 0 | 0 | 0 | 0 | 110.9 | V30 H32 H43 E51 T52 | V30-T45 PolarHBondContact N-O 3.28Å; V30-T45 PolarHBondContact O-N 3.49Å; V30-T45 PolarHBondContact O-OG1 2.94Å; H32-T45 PolarHBondContact NE2-OG1 3.4Å; H43-T45 WeakPolarHBondContact CE1-CG2 3.42Å; T45-E51 WeakPolarHBondContact CA-O 3.37Å; T45-E51 VanDerWaalsContact CB-O 3.27Å; T45-E51 WeakPolarHBondContact CB-O 3.25Å; T45-T52 HydrophobicContact CG2-CG2 4.45Å |
| 46 | D | 94 | Very high | 95.3 | Very high | 41 Ų | 41 | 62.9 Ų | 62.9 | 22% | 0.219 | 32% | 0.321 | C | S | . | . | trans | -64.8 | 174.9 | 161.8 | 79.8 | -54.6 | 0 | 0 | 0 | 111.8 | S48 G49 K50 E51 | D46-S48 VanDerWaalsContact C-N 3.27Å; D46-S48 VanDerWaalsContact CG-OG 3.27Å; D46-S48 PolarHBondContact O-N 2.89Å; D46-S48 PolarHBondContact OD1-OG 3.04Å; D46-S48 WeakPolarHBondContact OD2-CB 3.22Å; D46-S48 PolarHBondContact OD2-N 3.15Å; D46-S48 PolarHBondContact OD2-OG 3.02Å; D46-G49 PolarHBondContact O-N 3.1Å; D46-G49 VanDerWaalsContact O-N 3.13Å; D46-G49 PolarHBondContact OD1-N 3.36Å; D46-K50 PolarHBondContact OD1-N 2.87Å; D46-K50 VanDerWaalsContact OD1-N 3.09Å; D46-E51 HydrophobicContact CB-CB 4.43Å; D46-E51 PolarHBondContact N-O 2.91Å; D46-E51 VanDerWaalsContact N-O 3.08Å; D46-E51 PolarHBondContact OD1-N 3.29Å | ||
| 47 | L | 93.4 | Very high | 95.3 | Very high | 119 Ų | 119 | 63 Ų | 63 | 62% | 0.623 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -28.8 | -179.7 | -68.6 | 173.4 | 0 | 0 | 0 | 113.4 | F28 V30 G49 | F28-L47 HydrophobicContact CB-CD2 4.2Å; V30-L47 HydrophobicContact CG2-CD2 3.99Å; L47-G49 VanDerWaalsContact C-N 3.25Å; L47-G49 PolarHBondContact O-N 2.61Å |
| 48 | S | 94.5 | Very high | 95.3 | Very high | 73 Ų | 73 | 58.1 Ų | 58.1 | 51% | 0.51 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -19.3 | 176.7 | 79.9 | 0 | 0 | 0 | 0 | 112.7 | D46 K50 | D46-S48 VanDerWaalsContact C-N 3.27Å; D46-S48 VanDerWaalsContact CG-OG 3.27Å; D46-S48 PolarHBondContact O-N 2.89Å; D46-S48 PolarHBondContact OD1-OG 3.04Å; D46-S48 WeakPolarHBondContact OD2-CB 3.22Å; D46-S48 PolarHBondContact OD2-N 3.15Å; D46-S48 PolarHBondContact OD2-OG 3.02Å; S48-K50 VanDerWaalsContact C-N 3.25Å; S48-K50 PolarHBondContact O-N 3.07Å; S48-K50 WeakPolarHBondContact OG-CB 3.5Å; S48-K50 PolarHBondContact OG-N 2.84Å |
| 49 | G | 92.2 | Very high | 95.3 | Very high | 39 Ų | 39 | 53 Ų | 53 | 40% | 0.402 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 76.4 | 8.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D46 L47 | D46-G49 PolarHBondContact O-N 3.1Å; D46-G49 VanDerWaalsContact O-N 3.13Å; D46-G49 PolarHBondContact OD1-N 3.36Å; L47-G49 VanDerWaalsContact C-N 3.25Å; L47-G49 PolarHBondContact O-N 2.61Å |
| 50 | K | 93.3 | Very high | 95.3 | Very high | 177 Ų | 177 | 57.8 Ų | 57.8 | 77% | 0.77 | 30% | 0.3 | S | S | * | . | trans | -93.3 | -39.9 | -177 | -65.3 | -179.7 | -179.9 | 177.5 | 0 | 112.1 | D46 S48 | D46-K50 PolarHBondContact OD1-N 2.87Å; D46-K50 VanDerWaalsContact OD1-N 3.09Å; S48-K50 VanDerWaalsContact C-N 3.25Å; S48-K50 PolarHBondContact O-N 3.07Å; S48-K50 WeakPolarHBondContact OG-CB 3.5Å; S48-K50 PolarHBondContact OG-N 2.84Å | ||
| 51 | E | 92.3 | Very high | 95.3 | Very high | 142 Ų | 142 | 61.3 Ų | 61.3 | 66% | 0.664 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -98.1 | 122.9 | -176.9 | -68.6 | -168 | 175.3 | 0 | 0 | 110.8 | T45 D46 | T45-E51 WeakPolarHBondContact CA-O 3.37Å; T45-E51 VanDerWaalsContact CB-O 3.27Å; T45-E51 WeakPolarHBondContact CB-O 3.25Å; D46-E51 HydrophobicContact CB-CB 4.43Å; D46-E51 PolarHBondContact N-O 2.91Å; D46-E51 VanDerWaalsContact N-O 3.08Å; D46-E51 PolarHBondContact OD1-N 3.29Å |
| 52 | T | 95.3 | Very high | 95.2 | Very high | 98 Ų | 98 | 59.6 Ų | 59.6 | 60% | 0.601 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 124.1 | -178.2 | 63 | 0 | 0 | 0 | 0 | 110.1 | H43 T45 | H43-T52 WeakPolarHBondContact NE2-CB 3.38Å; H43-T52 WeakPolarHBondContact NE2-CG2 3.5Å; T45-T52 HydrophobicContact CG2-CG2 4.45Å |
| 53 | I | 92.8 | Very high | 95.2 | Very high | 55 Ų | 55 | 69.9 Ų | 69.9 | 28% | 0.282 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | -51.2 | -179.1 | -58.6 | -177.9 | 0 | 0 | 0 | 109.3 | V44 L88 I90 | V44-I53 HydrophobicContact CB-CB 4.5Å; V44-I53 HydrophobicContact CG1-CB 4.39Å; V44-I53 HydrophobicContact CG1-CD1 4.29Å; V44-I53 WeakPolarHBondContact O-CB 3.43Å; V44-I53 PolarHBondContact O-N 3.33Å; I53-L88 HydrophobicContact CG2-CD1 3.33Å; I53-I90 HydrophobicContact CB-CD1 4.45Å; I53-I90 HydrophobicContact CD1-CD1 3.38Å; I53-I90 HydrophobicContact CG1-CD1 4.4Å; I53-I90 HydrophobicContact CG2-CD1 3.58Å |
| 54 | C | 94.4 | Very high | 95.1 | Very high | 14 Ų | 14 | 69.4 Ų | 69.4 | 10% | 0.095 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 149.6 | 175.2 | 64.3 | 0 | 0 | 0 | 0 | 111.3 | H43 V44 R84 | H43-C54 PolarHBondContact CD2-O 3.48Å; H43-C54 VanDerWaalsContact CD2-O 3.31Å; V44-C54 PolarHBondContact N-O 3.32Å; V44-C54 PolarHBondContact O-N 3.28Å; C54-R84 HydrophobicContact CB-CB 4.46Å; C54-R84 HydrophobicContact CB-CG 4.31Å |
| 55 | R | 96 | Very high | 95 | Very high | 173 Ų | 173 | 75.9 Ų | 75.9 | 65% | 0.653 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138 | 118.3 | 177 | -172.1 | -177.3 | 74.9 | -173.8 | 3.5 | 108.9 | ||
| 56 | V | 96.8 | Very high | 94.8 | Very high | 16 Ų | 16 | 86 Ų | 86 | 10% | 0.097 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 135.6 | 174.6 | -171.7 | 0 | 0 | 0 | 0 | 108.6 | V42 M60 K61 A77 V81 | V42-V56 PolarHBondContact N-O 3.47Å; V42-V56 PolarHBondContact O-N 2.92Å; V56-M60 HydrophobicContact CG1-SD 4.45Å; V56-K61 VanDerWaalsContact CG1-CE 3.42Å; V56-K61 HydrophobicContact CG1-CG 4.47Å; V56-A77 HydrophobicContact CB-CB 4.27Å; V56-A77 HydrophobicContact CG1-CB 3.68Å; V56-V81 HydrophobicContact CB-CG2 3.8Å; V56-V81 HydrophobicContact CG2-CG2 3.53Å |
| 57 | T | 96.6 | Very high | 94.9 | Very high | 18 Ų | 18 | 86.9 Ų | 86.9 | 11% | 0.11 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 159.3 | 175.1 | 76.3 | 0 | 0 | 0 | 0 | 110.3 | T40 F41 G59 M60 | T40-T57 CarbonylContact O-C 3.6Å; T40-T57 WeakPolarHBondContact O-CA 3.41Å; F41-T57 HydrophobicContact CD1-CG2 3.39Å; F41-T57 HydrophobicContact CE1-CG2 3.35Å; F41-T57 HydrophobicContact CG-CG2 4.03Å; F41-T57 HydrophobicContact CZ-CG2 3.96Å; T57-G59 VanDerWaalsContact C-N 3.26Å; T57-G59 PolarHBondContact O-N 3.3Å; T57-G59 PolarHBondContact OG1-N 3.12Å; T57-M60 HydrophobicContact CG2-SD 4.41Å; T57-M60 WeakPolarHBondContact O-CB 3.47Å; T57-M60 PolarHBondContact O-N 3.21Å; T57-M60 WeakPolarHBondContact OG1-CG 3.47Å; T57-M60 PolarHBondContact OG1-N 3Å; T57-M60 VanDerWaalsContact OG1-N 3.16Å |
| 58 | G | 95 | Very high | 95 | Very high | 0 Ų | 0 | 83.9 Ų | 83.9 | 0% | 0 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -59.3 | -43.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | D39 T40 M60 K61 V62 E68 | D39-G58 PolarHBondContact OD1-N 2.76Å; T40-G58 PolarHBondContact O-N 3.32Å; G58-M60 PolarHBondContact O-N 3.31Å; G58-K61 PolarHBondContact O-N 2.87Å; G58-V62 PolarHBondContact O-N 2.85Å; G58-E68 WeakPolarHBondContact CA-O 3.38Å |
| 59 | G | 95 | Very high | 95.1 | Very high | 19 Ų | 19 | 81.2 Ų | 81.2 | 20% | 0.196 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -23.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | D39 T57 K61 | D39-G59 PolarHBondContact OD1-N 3.16Å; T57-G59 VanDerWaalsContact C-N 3.26Å; T57-G59 PolarHBondContact O-N 3.3Å; T57-G59 PolarHBondContact OG1-N 3.12Å; G59-K61 PolarHBondContact O-N 3.2Å |
| 60 | M | 96.1 | Very high | 95.3 | Very high | 116 Ų | 116 | 80.5 Ų | 80.5 | 57% | 0.571 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -18.7 | 171.7 | -70.4 | 172.7 | 74.1 | 0 | 0 | 113.3 | V56 T57 G58 | V56-M60 HydrophobicContact CG1-SD 4.45Å; T57-M60 HydrophobicContact CG2-SD 4.41Å; T57-M60 WeakPolarHBondContact O-CB 3.47Å; T57-M60 PolarHBondContact O-N 3.21Å; T57-M60 WeakPolarHBondContact OG1-CG 3.47Å; T57-M60 PolarHBondContact OG1-N 3Å; T57-M60 VanDerWaalsContact OG1-N 3.16Å; G58-M60 PolarHBondContact O-N 3.31Å |
| 61 | K | 96.5 | Very high | 95.5 | Very high | 74 Ų | 74 | 75.2 Ų | 75.2 | 32% | 0.322 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -13.2 | -174.5 | -59 | -65.3 | 150.7 | -169.5 | 0 | 113.8 | V56 G58 G59 L76 A77 D80 | V56-K61 VanDerWaalsContact CG1-CE 3.42Å; V56-K61 HydrophobicContact CG1-CG 4.47Å; G58-K61 PolarHBondContact O-N 2.87Å; G59-K61 PolarHBondContact O-N 3.2Å; K61-L76 HydrophobicContact CB-CB 4.01Å; K61-L76 HydrophobicContact CB-CD1 4.21Å; K61-L76 HydrophobicContact CD-CB 4.17Å; K61-L76 HydrophobicContact CG-CB 3.91Å; K61-A77 HydrophobicContact CG-CB 4.21Å; K61-D80 VanDerWaalsContact CD-OD2 3.32Å; K61-D80 WeakPolarHBondContact CD-OD2 3.35Å; K61-D80 WeakPolarHBondContact CE-OD2 3.29Å; K61-D80 IonicContact NZ-OD2 3.92Å; K61-D80 PolarHBondContact NZ-OD2 3.28Å |
| 62 | V | 96.6 | Very high | 95.7 | Very high | 31 Ų | 31 | 75.4 Ų | 75.4 | 19% | 0.188 | 37% | 0.369 | C | S | . | . | trans | -125.2 | 152.5 | -180 | -65 | 0 | 0 | 0 | 0 | 110 | G58 D67 E68 A73 | G58-V62 PolarHBondContact O-N 2.85Å; V62-D67 HydrophobicContact CB-CB 4.37Å; V62-D67 HydrophobicContact CG1-CB 4.4Å; V62-D67 HydrophobicContact CG2-CB 4.2Å; V62-E68 HydrophobicContact CG2-CG 4.36Å; V62-A73 HydrophobicContact CG1-CB 3.75Å; V62-A73 HydrophobicContact CG2-CB 4.33Å | ||
| 63 | K | 96.1 | Very high | 95.8 | Very high | 216 Ų | 216 | 70.8 Ų | 70.8 | 94% | 0.939 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -93.2 | -11.2 | 176.3 | -64.4 | -177.7 | 179.2 | -179.8 | 0 | 113.1 | ||
| 64 | A | 96.1 | Very high | 96 | Very high | 36 Ų | 36 | 68.1 Ų | 68.1 | 30% | 0.298 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -102.8 | 121.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110 | R66 D67 | A64-R66 HydrophobicContact CB-CG 4.43Å; A64-R66 PolarHBondContact O-N 3.47Å; A64-D67 HydrophobicContact CB-CB 4.4Å; A64-D67 WeakPolarHBondContact CB-OD2 3.34Å; A64-D67 PolarHBondContact O-N 2.92Å |
| 65 | D | 94.3 | Very high | 96.1 | Very high | 136 Ų | 136 | 70.1 Ų | 70.1 | 73% | 0.727 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -57.9 | -26.3 | -176.6 | -52.3 | -27.8 | 0 | 0 | 0 | 113.6 | E68 | D65-E68 WeakPolarHBondContact O-CG 3.49Š|
| 66 | R | 94.7 | Very high | 96.1 | Very high | 212 Ų | 212 | 63.7 Ų | 63.7 | 80% | 0.8 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -77.7 | -20.1 | 179.4 | 66.9 | -179.1 | -179.4 | -168.9 | -2.8 | 114 | A64 | A64-R66 HydrophobicContact CB-CG 4.43Å; A64-R66 PolarHBondContact O-N 3.47Å |
| 67 | D | 95 | Very high | 96.1 | Very high | 61 Ų | 61 | 62.9 Ų | 62.9 | 33% | 0.326 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -99 | 3 | -171.5 | -65.1 | -40.7 | 0 | 0 | 0 | 112.4 | V62 A64 S69 S70 A73 | V62-D67 HydrophobicContact CB-CB 4.37Å; V62-D67 HydrophobicContact CG1-CB 4.4Å; V62-D67 HydrophobicContact CG2-CB 4.2Å; A64-D67 HydrophobicContact CB-CB 4.4Å; A64-D67 WeakPolarHBondContact CB-OD2 3.34Å; A64-D67 PolarHBondContact O-N 2.92Å; D67-S69 VanDerWaalsContact C-N 3.33Å; D67-S69 PolarHBondContact O-N 3.48Å; D67-S70 WeakPolarHBondContact O-CB 3.47Å; D67-S70 PolarHBondContact O-N 2.9Å; D67-S70 PolarHBondContact O-OG 3.35Å; D67-A73 WeakPolarHBondContact O-CB 3.36Å |
| 68 | E | 96.4 | Very high | 96.2 | Very high | 56 Ų | 56 | 62 Ų | 62 | 26% | 0.262 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -36.9 | -178.8 | -61.9 | -174.3 | 166.3 | 0 | 0 | 112.7 | N38 D39 G58 V62 D65 S70 | N38-E68 CarbonylContact O-C 3.56Å; N38-E68 WeakPolarHBondContact O-CB 3.45Å; D39-E68 HydrophobicContact CB-CB 4.05Å; G58-E68 WeakPolarHBondContact CA-O 3.38Å; V62-E68 HydrophobicContact CG2-CG 4.36Å; D65-E68 WeakPolarHBondContact O-CG 3.49Å; E68-S70 VanDerWaalsContact C-N 3.33Å |
| 69 | S | 95.8 | Very high | 96.2 | Very high | 16 Ų | 16 | 66.4 Ų | 66.4 | 11% | 0.112 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -5.1 | 174.4 | 63 | 0 | 0 | 0 | 0 | 114 | F37 N38 D67 G111 | F37-S69 VanDerWaalsContact O-CB 3.26Å; F37-S69 WeakPolarHBondContact O-CB 3.44Å; F37-S69 PolarHBondContact O-OG 3Å; N38-S69 VanDerWaalsContact C-CB 3.49Å; N38-S69 WeakPolarHBondContact O-CB 3.42Å; N38-S69 PolarHBondContact O-N 3.4Å; D67-S69 VanDerWaalsContact C-N 3.33Å; D67-S69 PolarHBondContact O-N 3.48Å; S69-G111 PolarHBondContact O-N 3.49Å |
| 70 | S | 96.5 | Very high | 96.3 | Very high | 24 Ų | 24 | 68.9 Ų | 68.9 | 17% | 0.168 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -60 | 144 | -172.7 | 72.6 | 0 | 0 | 0 | 0 | 111.1 | D67 E68 Y72 A73 A74 | D67-S70 WeakPolarHBondContact O-CB 3.47Å; D67-S70 PolarHBondContact O-N 2.9Å; D67-S70 PolarHBondContact O-OG 3.35Å; E68-S70 VanDerWaalsContact C-N 3.33Å; S70-Y72 PolarHBondContact O-N 3.5Å; S70-Y72 VanDerWaalsContact O-N 3.14Å; S70-A73 PolarHBondContact O-N 2.93Å; S70-A73 VanDerWaalsContact O-N 3.15Å; S70-A73 VanDerWaalsContact OG-CB 3.29Å; S70-A73 WeakPolarHBondContact OG-CB 3.43Å; S70-A73 PolarHBondContact OG-N 3.23Å; S70-A73 VanDerWaalsContact OG-N 3.11Å; S70-A74 PolarHBondContact O-N 3.33Å |
| 71 | P | 96.9 | Very high | 96.3 | Very high | 66 Ų | 66 | 63.3 Ų | 63.3 | 43% | 0.429 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -55.6 | -32.1 | 175.5 | -28.4 | 36.3 | 0 | 0 | 0 | 113.2 | M75 P110 S114 | P71-M75 WeakPolarHBondContact O-CB 3.36Å; P71-M75 PolarHBondContact O-N 3.4Å; P71-P110 HydrophobicContact CG-CB 4.48Å; P71-S114 WeakPolarHBondContact O-CB 3.14Å; P71-S114 PolarHBondContact O-OG 3.31Å |
| 72 | Y | 96.8 | Very high | 96.2 | Very high | 147 Ų | 147 | 59.9 Ų | 59.9 | 58% | 0.576 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -67.7 | -48.1 | 177.2 | 179.8 | -108.5 | 0 | 0 | 0 | 112 | S70 A74 M75 L76 | S70-Y72 PolarHBondContact O-N 3.5Å; S70-Y72 VanDerWaalsContact O-N 3.14Å; Y72-A74 VanDerWaalsContact C-N 3.32Å; Y72-A74 PolarHBondContact O-N 3.14Å; Y72-M75 HydrophobicContact CD2-CE 3.84Å; Y72-M75 HydrophobicContact CE2-CE 3.88Å; Y72-M75 WeakPolarHBondContact O-CB 3.48Å; Y72-M75 PolarHBondContact O-N 3.21Å; Y72-L76 HydrophobicContact CD1-CD1 4.19Å; Y72-L76 HydrophobicContact CE1-CD1 3.59Å; Y72-L76 HydrophobicContact CE1-CG 4.42Å; Y72-L76 HydrophobicContact CE2-CD1 4.38Å; Y72-L76 HydrophobicContact CE2-CG 4.44Å; Y72-L76 PolarHBondContact O-N 3.42Å; Y72-L76 VanDerWaalsContact O-N 3.14Å |
| 73 | A | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.5 | -44 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V62 D67 S70 M75 L76 A77 | V62-A73 HydrophobicContact CG1-CB 3.75Å; V62-A73 HydrophobicContact CG2-CB 4.33Å; D67-A73 WeakPolarHBondContact O-CB 3.36Å; S70-A73 PolarHBondContact O-N 2.93Å; S70-A73 VanDerWaalsContact O-N 3.15Å; S70-A73 VanDerWaalsContact OG-CB 3.29Å; S70-A73 WeakPolarHBondContact OG-CB 3.43Å; S70-A73 PolarHBondContact OG-N 3.23Å; S70-A73 VanDerWaalsContact OG-N 3.11Å; A73-M75 VanDerWaalsContact C-N 3.32Å; A73-M75 PolarHBondContact O-N 3.04Å; A73-L76 PolarHBondContact O-N 3.06Å; A73-A77 WeakPolarHBondContact O-CB 3.13Å; A73-A77 PolarHBondContact O-N 3.33Å |
| 74 | A | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.5 | -37.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | T40 S70 Y72 A78 G111 A115 | T40-A74 HydrophobicContact CG2-CB 4.32Å; T40-A74 WeakPolarHBondContact OG1-CB 3.39Å; S70-A74 PolarHBondContact O-N 3.33Å; Y72-A74 VanDerWaalsContact C-N 3.32Å; Y72-A74 PolarHBondContact O-N 3.14Å; A74-A78 WeakPolarHBondContact O-CB 3.31Å; A74-A78 PolarHBondContact O-N 2.87Å; A74-G111 WeakPolarHBondContact CB-O 3.28Å; A74-A115 HydrophobicContact CB-CB 4.3Å |
| 75 | M | 97.2 | Very high | 95.8 | Very high | 55 Ų | 55 | 57.9 Ų | 57.9 | 27% | 0.271 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.2 | -48.5 | 176.9 | 179.5 | -172.2 | 74.9 | 0 | 0 | 111.3 | P71 Y72 A73 A77 A78 Q79 A118 | P71-M75 WeakPolarHBondContact O-CB 3.36Å; P71-M75 PolarHBondContact O-N 3.4Å; Y72-M75 HydrophobicContact CD2-CE 3.84Å; Y72-M75 HydrophobicContact CE2-CE 3.88Å; Y72-M75 WeakPolarHBondContact O-CB 3.48Å; Y72-M75 PolarHBondContact O-N 3.21Å; A73-M75 VanDerWaalsContact C-N 3.32Å; A73-M75 PolarHBondContact O-N 3.04Å; M75-A77 VanDerWaalsContact C-N 3.34Å; M75-A77 PolarHBondContact O-N 3.05Å; M75-A78 PolarHBondContact O-N 2.68Å; M75-Q79 WeakPolarHBondContact O-CG 3.18Å; M75-Q79 PolarHBondContact O-N 3.49Å; M75-A118 HydrophobicContact CB-CB 4.32Å; M75-A118 HydrophobicContact CG-CB 3.91Å |
| 76 | L | 96.5 | Very high | 95.6 | Very high | 38 Ų | 38 | 56.3 Ų | 56.3 | 20% | 0.199 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 178.2 | -67.3 | 177.6 | 0 | 0 | 0 | 111.1 | K61 Y72 A73 A78 Q79 D80 | K61-L76 HydrophobicContact CB-CB 4.01Å; K61-L76 HydrophobicContact CB-CD1 4.21Å; K61-L76 HydrophobicContact CD-CB 4.17Å; K61-L76 HydrophobicContact CG-CB 3.91Å; Y72-L76 HydrophobicContact CD1-CD1 4.19Å; Y72-L76 HydrophobicContact CE1-CD1 3.59Å; Y72-L76 HydrophobicContact CE1-CG 4.42Å; Y72-L76 HydrophobicContact CE2-CD1 4.38Å; Y72-L76 HydrophobicContact CE2-CG 4.44Å; Y72-L76 PolarHBondContact O-N 3.42Å; Y72-L76 VanDerWaalsContact O-N 3.14Å; A73-L76 PolarHBondContact O-N 3.06Å; L76-A78 VanDerWaalsContact C-N 3.33Å; L76-A78 PolarHBondContact O-N 3.15Å; L76-Q79 PolarHBondContact O-N 3.11Å; L76-D80 PolarHBondContact O-N 2.86Å; L76-D80 VanDerWaalsContact O-N 3.14Å |
| 77 | A | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59 | -44.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V42 V56 K61 A73 M75 D80 V81 | V42-A77 HydrophobicContact CG2-CB 4.36Å; V56-A77 HydrophobicContact CB-CB 4.27Å; V56-A77 HydrophobicContact CG1-CB 3.68Å; K61-A77 HydrophobicContact CG-CB 4.21Å; A73-A77 WeakPolarHBondContact O-CB 3.13Å; A73-A77 PolarHBondContact O-N 3.33Å; M75-A77 VanDerWaalsContact C-N 3.34Å; M75-A77 PolarHBondContact O-N 3.05Å; A77-D80 PolarHBondContact O-N 3.3Å; A77-V81 WeakPolarHBondContact O-CG2 3.48Å; A77-V81 PolarHBondContact O-N 3.42Å; A77-V81 VanDerWaalsContact O-N 3.1Å |
| 78 | A | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.2 | -36.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V42 A74 M75 L76 A82 A115 A118 L119 | V42-A78 HydrophobicContact CG2-CB 4.43Å; A74-A78 WeakPolarHBondContact O-CB 3.31Å; A74-A78 PolarHBondContact O-N 2.87Å; M75-A78 PolarHBondContact O-N 2.68Å; L76-A78 VanDerWaalsContact C-N 3.33Å; L76-A78 PolarHBondContact O-N 3.15Å; A78-A82 WeakPolarHBondContact O-CB 3.41Å; A78-A82 PolarHBondContact O-N 2.95Å; A78-A115 HydrophobicContact CB-CB 4.33Å; A78-A115 WeakPolarHBondContact CB-O 3.27Å; A78-A118 HydrophobicContact CB-CB 3.58Å; A78-L119 HydrophobicContact CB-CD2 4.16Å; A78-L119 HydrophobicContact CB-CG 4.02Å |
| 79 | Q | 96.3 | Very high | 94.8 | Very high | 91 Ų | 91 | 49.4 Ų | 49.4 | 43% | 0.425 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.7 | -43.5 | 176.1 | -75.5 | 175.2 | -28.4 | 0 | 0 | 111.8 | M75 L76 A82 Q83 | M75-Q79 WeakPolarHBondContact O-CG 3.18Å; M75-Q79 PolarHBondContact O-N 3.49Å; L76-Q79 PolarHBondContact O-N 3.11Å; Q79-A82 PolarHBondContact O-N 3.44Å; Q79-Q83 PolarHBondContact O-N 3.43Å |
| 80 | D | 96.1 | Very high | 94.6 | Very high | 71 Ų | 71 | 49.2 Ų | 49.2 | 38% | 0.38 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68.4 | -39.5 | 178.8 | -68.3 | -38.3 | 0 | 0 | 0 | 112.4 | K61 L76 A77 A82 Q83 R84 | K61-D80 VanDerWaalsContact CD-OD2 3.32Å; K61-D80 WeakPolarHBondContact CD-OD2 3.35Å; K61-D80 WeakPolarHBondContact CE-OD2 3.29Å; K61-D80 IonicContact NZ-OD2 3.92Å; K61-D80 PolarHBondContact NZ-OD2 3.28Å; L76-D80 PolarHBondContact O-N 2.86Å; L76-D80 VanDerWaalsContact O-N 3.14Å; A77-D80 PolarHBondContact O-N 3.3Å; D80-A82 VanDerWaalsContact C-N 3.32Å; D80-A82 PolarHBondContact O-N 3.22Å; D80-Q83 PolarHBondContact O-N 3.02Å; D80-R84 WeakPolarHBondContact O-CB 3.47Å; D80-R84 PolarHBondContact O-N 3.08Å |
| 81 | V | 96.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.4 | -46.9 | 171.4 | 160.9 | 0 | 0 | 0 | 0 | 110.7 | V42 V44 V56 A77 Q83 R84 C85 L119 | V42-V81 HydrophobicContact CB-CG2 3.99Å; V42-V81 HydrophobicContact CG1-CB 4.01Å; V42-V81 HydrophobicContact CG1-CG1 3.84Å; V42-V81 HydrophobicContact CG1-CG2 3.78Å; V44-V81 HydrophobicContact CG2-CG1 3.44Å; V44-V81 VanDerWaalsContact CG2-CG1 3.44Å; V56-V81 HydrophobicContact CB-CG2 3.8Å; V56-V81 HydrophobicContact CG2-CG2 3.53Å; A77-V81 WeakPolarHBondContact O-CG2 3.48Å; A77-V81 PolarHBondContact O-N 3.42Å; A77-V81 VanDerWaalsContact O-N 3.1Å; V81-Q83 VanDerWaalsContact C-N 3.34Å; V81-Q83 PolarHBondContact O-N 2.87Å; V81-R84 PolarHBondContact O-N 3.09Å; V81-C85 WeakPolarHBondContact O-CB 3.15Å; V81-C85 PolarHBondContact O-N 3.1Å; V81-C85 PolarHBondContact O-SG 3.37Å; V81-C85 VanDerWaalsContact O-SG 3.4Å; V81-L119 HydrophobicContact CG1-CD2 4.14Å |
| 82 | A | 95.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.8 | -42.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A78 Q79 D80 R84 C85 K86 L119 S122 M124 | A78-A82 WeakPolarHBondContact O-CB 3.41Å; A78-A82 PolarHBondContact O-N 2.95Å; Q79-A82 PolarHBondContact O-N 3.44Å; D80-A82 VanDerWaalsContact C-N 3.32Å; D80-A82 PolarHBondContact O-N 3.22Å; A82-R84 VanDerWaalsContact C-N 3.31Å; A82-R84 PolarHBondContact O-N 3.21Å; A82-C85 PolarHBondContact O-N 3.35Å; A82-K86 WeakPolarHBondContact O-CG 3.38Å; A82-K86 PolarHBondContact O-N 3.38Å; A82-L119 HydrophobicContact CB-CD2 4.34Å; A82-S122 VanDerWaalsContact CB-CB 3.42Å; A82-S122 WeakPolarHBondContact CB-OG 3.44Å; A82-M124 HydrophobicContact CB-CE 3.96Å; A82-M124 HydrophobicContact CB-CG 4.12Å; A82-M124 WeakPolarHBondContact O-CE 3.17Å |
| 83 | Q | 94.3 | Very high | 94.2 | Very high | 101 Ų | 101 | 40.4 Ų | 40.4 | 47% | 0.472 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.7 | -45.2 | 175.9 | -173.5 | 60.9 | 22.1 | 0 | 0 | 111.1 | Q79 D80 V81 C85 K86 E87 | Q79-Q83 PolarHBondContact O-N 3.43Å; D80-Q83 PolarHBondContact O-N 3.02Å; V81-Q83 VanDerWaalsContact C-N 3.34Å; V81-Q83 PolarHBondContact O-N 2.87Å; Q83-C85 PolarHBondContact O-N 3.49Å; Q83-K86 WeakPolarHBondContact O-CB 3.33Å; Q83-K86 PolarHBondContact O-N 2.87Å; Q83-E87 WeakPolarHBondContact O-CG 3.33Å; Q83-E87 PolarHBondContact O-N 2.54Å; Q83-E87 VanDerWaalsContact O-N 3.1Å |
| 84 | R | 93.1 | Very high | 94.2 | Very high | 140 Ų | 140 | 42.5 Ų | 42.5 | 53% | 0.528 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.8 | -40 | 179.2 | -157.9 | 64.9 | 173.1 | 172.2 | -2.4 | 113 | C54 D80 V81 A82 K86 E87 L88 | C54-R84 HydrophobicContact CB-CB 4.46Å; C54-R84 HydrophobicContact CB-CG 4.31Å; D80-R84 WeakPolarHBondContact O-CB 3.47Å; D80-R84 PolarHBondContact O-N 3.08Å; V81-R84 PolarHBondContact O-N 3.09Å; A82-R84 VanDerWaalsContact C-N 3.31Å; A82-R84 PolarHBondContact O-N 3.21Å; R84-K86 VanDerWaalsContact C-N 3.33Å; R84-K86 PolarHBondContact O-N 3.24Å; R84-E87 WeakPolarHBondContact CD-OE2 3.4Å; R84-E87 IonicContact CZ-OE2 2.78Å; R84-E87 IonicContact NE-OE2 2.55Å; R84-E87 IonicContact NH1-OE2 3.68Å; R84-E87 PolarHBondContact NH1-OE2 2.95Å; R84-E87 PolarHBondContact O-N 3.13Å; R84-L88 HydrophobicContact CG-CD1 4.47Å; R84-L88 WeakPolarHBondContact O-CG 3.49Å; R84-L88 PolarHBondContact O-N 2.99Å; R84-L88 VanDerWaalsContact O-N 3.15Å |
| 85 | C | 92.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.6 | -37.2 | 175.4 | -77.8 | 0 | 0 | 0 | 0 | 112.1 | V81 A82 Q83 L88 G89 I90 M124 | V81-C85 WeakPolarHBondContact O-CB 3.15Å; V81-C85 PolarHBondContact O-N 3.1Å; V81-C85 PolarHBondContact O-SG 3.37Å; V81-C85 VanDerWaalsContact O-SG 3.4Å; A82-C85 PolarHBondContact O-N 3.35Å; Q83-C85 PolarHBondContact O-N 3.49Å; C85-L88 PolarHBondContact O-N 3.07Å; C85-G89 PolarHBondContact O-N 3.2Å; C85-G89 VanDerWaalsContact O-N 3.15Å; C85-I90 HydrophobicContact CB-CB 4.1Å; C85-I90 HydrophobicContact CB-CD1 4.41Å; C85-I90 PolarHBondContact O-N 2.77Å; C85-M124 HydrophobicContact CB-CE 3.23Å |
| 86 | K | 90 | Very high | 94.3 | Very high | 104 Ų | 104 | 43.3 Ų | 43.3 | 45% | 0.452 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.4 | -42.9 | 174.5 | -71.8 | 177.4 | -176 | -179.3 | 0 | 112.3 | A82 Q83 R84 L88 G89 S122 M124 | A82-K86 WeakPolarHBondContact O-CG 3.38Å; A82-K86 PolarHBondContact O-N 3.38Å; Q83-K86 WeakPolarHBondContact O-CB 3.33Å; Q83-K86 PolarHBondContact O-N 2.87Å; R84-K86 VanDerWaalsContact C-N 3.33Å; R84-K86 PolarHBondContact O-N 3.24Å; K86-L88 PolarHBondContact O-N 3.17Å; K86-G89 PolarHBondContact O-N 3.48Å; K86-G89 VanDerWaalsContact O-N 3.1Å; K86-S122 VanDerWaalsContact CE-O 3.23Å; K86-S122 WeakPolarHBondContact CE-O 3.39Å; K86-S122 PolarHBondContact NZ-O 2.91Å; K86-M124 HydrophobicContact CG-CE 3.77Å |
| 87 | E | 90 | Very high | 94.3 | Very high | 91 Ų | 91 | 43.1 Ų | 43.1 | 43% | 0.425 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.7 | -32.6 | 175.9 | -70.8 | 168.4 | -169 | 0 | 0 | 112.1 | Q83 R84 | Q83-E87 WeakPolarHBondContact O-CG 3.33Å; Q83-E87 PolarHBondContact O-N 2.54Å; Q83-E87 VanDerWaalsContact O-N 3.1Å; R84-E87 WeakPolarHBondContact CD-OE2 3.4Å; R84-E87 IonicContact CZ-OE2 2.78Å; R84-E87 IonicContact NE-OE2 2.55Å; R84-E87 IonicContact NH1-OE2 3.68Å; R84-E87 PolarHBondContact NH1-OE2 2.95Å; R84-E87 PolarHBondContact O-N 3.13Å |
| 88 | L | 89.1 | Confident | 94.3 | Very high | 61 Ų | 61 | 48.7 Ų | 48.7 | 32% | 0.319 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -3.7 | 178.3 | -65.4 | 172.1 | 0 | 0 | 0 | 114 | G18 I53 R84 C85 K86 | G18-L88 VanDerWaalsContact CA-O 3.28Å; G18-L88 WeakPolarHBondContact CA-O 3.32Å; I53-L88 HydrophobicContact CG2-CD1 3.33Å; R84-L88 HydrophobicContact CG-CD1 4.47Å; R84-L88 WeakPolarHBondContact O-CG 3.49Å; R84-L88 PolarHBondContact O-N 2.99Å; R84-L88 VanDerWaalsContact O-N 3.15Å; C85-L88 PolarHBondContact O-N 3.07Å; K86-L88 PolarHBondContact O-N 3.17Å |
| 89 | G | 89.1 | Confident | 94.3 | Very high | 32 Ų | 32 | 48.7 Ų | 48.7 | 33% | 0.33 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | 17.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | C85 K86 | C85-G89 PolarHBondContact O-N 3.2Å; C85-G89 VanDerWaalsContact O-N 3.15Å; K86-G89 PolarHBondContact O-N 3.48Å; K86-G89 VanDerWaalsContact O-N 3.1Å |
| 90 | I | 92 | Very high | 94.2 | Very high | 11 Ų | 11 | 45.6 Ų | 45.6 | 6% | 0.056 | 22% | 0.219 | C | C | . | . | trans | -85.2 | 119.5 | 174.4 | -57.4 | 165.2 | 0 | 0 | 0 | 108.9 | V27 I53 C85 A92 L93 | V27-I90 HydrophobicContact CG1-CG1 4.35Å; I53-I90 HydrophobicContact CB-CD1 4.45Å; I53-I90 HydrophobicContact CD1-CD1 3.38Å; I53-I90 HydrophobicContact CG1-CD1 4.4Å; I53-I90 HydrophobicContact CG2-CD1 3.58Å; C85-I90 HydrophobicContact CB-CB 4.1Å; C85-I90 HydrophobicContact CB-CD1 4.41Å; C85-I90 PolarHBondContact O-N 2.77Å; I90-A92 WeakPolarHBondContact CG2-O 3.4Å; I90-L93 HydrophobicContact CG2-CD2 3.9Å | ||
| 91 | T | 91.4 | Very high | 94.1 | Very high | 52 Ų | 52 | 42.4 Ų | 42.4 | 32% | 0.319 | 20% | 0.202 | S | C | . | . | trans | -99.6 | -26.1 | -174.6 | 60.4 | 0 | 0 | 0 | 0 | 113 | N26 V27 K125 | N26-T91 VanDerWaalsContact CA-OG1 3.25Å; N26-T91 WeakPolarHBondContact CA-OG1 3.13Å; V27-T91 PolarHBondContact N-OG1 3Å; V27-T91 PolarHBondContact O-N 3.3Å; V27-T91 PolarHBondContact O-OG1 3.43Å; T91-K125 PolarHBondContact O-N 2.87Å; T91-K125 VanDerWaalsContact O-N 3.07Å | ||
| 92 | A | 94.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 148.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | N26 V27 F28 G29 I90 K125 | N26-A92 HydrophobicContact CB-CB 4.18Å; V27-A92 PolarHBondContact O-N 3.1Å; F28-A92 CarbonylContact C-O 3.46Å; F28-A92 WeakPolarHBondContact CA-O 3.49Å; F28-A92 HydrophobicContact CD1-CB 3.58Å; F28-A92 HydrophobicContact CD2-CB 4.38Å; F28-A92 HydrophobicContact CE1-CB 3.5Å; F28-A92 VanDerWaalsContact CE1-CB 3.5Å; F28-A92 HydrophobicContact CE2-CB 4.32Å; F28-A92 HydrophobicContact CG-CB 4.04Å; F28-A92 HydrophobicContact CZ-CB 3.89Å; G29-A92 PolarHBondContact N-O 3.46Å; I90-A92 WeakPolarHBondContact CG2-O 3.4Å; A92-K125 CarbonylContact C-O 3.56Å; A92-K125 WeakPolarHBondContact CA-O 3.4Å; A92-K125 HydrophobicContact CB-CB 3.83Å; A92-K125 WeakPolarHBondContact CB-O 3.47Å |
| 93 | L | 96.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 127.7 | -179.3 | -63.9 | 173.4 | 0 | 0 | 0 | 111.1 | G29 C31 V44 I90 L119 M124 K125 G127 | G29-L93 CarbonylContact O-C 3.48Å; G29-L93 WeakPolarHBondContact O-CA 3.48Å; C31-L93 HydrophobicContact CB-CB 4.2Å; C31-L93 HydrophobicContact CB-CD1 4.21Å; V44-L93 HydrophobicContact CG1-CD2 3.59Å; V44-L93 HydrophobicContact CG2-CD1 4.45Å; V44-L93 HydrophobicContact CG2-CD2 4.39Å; I90-L93 HydrophobicContact CG2-CD2 3.9Å; L93-L119 HydrophobicContact CD1-CD2 4.3Å; L93-M124 HydrophobicContact CD1-CB 4.49Å; L93-M124 HydrophobicContact CD1-CG 4.24Å; L93-K125 PolarHBondContact N-O 2.8Å; L93-G127 PolarHBondContact O-N 3.02Å |
| 94 | H | 97.1 | Very high | 93.6 | Very high | 44 Ų | 44 | 49.1 Ų | 49.1 | 20% | 0.204 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 134.7 | 160.1 | -71.5 | -57.4 | 0 | 0 | 0 | 109.5 | F28 G29 V30 C31 R128 | F28-H94 AromaticContact CD1-CD2 3.7Å; F28-H94 AromaticContact CD1-CE1 3.78Å; F28-H94 AromaticContact CD1-NE2 3.36Å; F28-H94 WeakPolarHBondContact CD1-NE2 3.5Å; F28-H94 AromaticContact CE1-CE1 3.79Å; F28-H94 AromaticContact CE1-NE2 3.81Å; F28-H94 AromaticContact CG-NE2 3.87Å; G29-H94 PolarHBondContact O-N 3.1Å; V30-H94 CarbonylContact C-O 3.59Å; V30-H94 HydrophobicContact CG2-CB 4.41Å; C31-H94 PolarHBondContact N-O 2.7Å; H94-R128 PolarHBondContact ND1-N 2.72Å |
| 95 | I | 97.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 123.4 | -178.6 | -59.3 | -176.9 | 0 | 0 | 0 | 109.2 | C31 I33 L116 I126 R128 I129 E130 | C31-I95 WeakPolarHBondContact O-CA 3.42Å; I33-I95 HydrophobicContact CD1-CG2 3.8Å; I33-I95 HydrophobicContact CG1-CG2 4.28Å; I95-L116 HydrophobicContact CD1-CD1 3.85Å; I95-L116 HydrophobicContact CD1-CG 3.67Å; I95-L116 HydrophobicContact CG2-CD1 4.35Å; I95-I126 HydrophobicContact CD1-CD1 4.06Å; I95-I126 HydrophobicContact CD1-CG1 4.45Å; I95-I126 HydrophobicContact CD1-CG2 3.58Å; I95-I126 HydrophobicContact CG1-CG2 4.04Å; I95-R128 PolarHBondContact N-O 2.72Å; I95-I129 HydrophobicContact CB-CG1 4.24Å; I95-I129 HydrophobicContact CB-CG2 4.33Å; I95-I129 HydrophobicContact CD1-CG1 4.42Å; I95-I129 HydrophobicContact CG2-CG2 4.37Å; I95-I129 CarbonylContact O-C 3.51Å; I95-I129 WeakPolarHBondContact O-CA 3.48Å; I95-E130 PolarHBondContact O-N 2.91Å |
| 96 | K | 97.5 | Very high | 93.7 | Very high | 72 Ų | 72 | 50 Ų | 50 | 31% | 0.313 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 100 | 168.5 | -76.2 | -172.6 | 174.5 | -178.9 | 0 | 108.5 | V30 C31 H32 I33 E130 V132 | V30-K96 HydrophobicContact CG1-CD 3.9Å; V30-K96 HydrophobicContact CG1-CG 4.1Å; C31-K96 PolarHBondContact O-N 3.26Å; H32-K96 WeakPolarHBondContact CA-O 3.36Å; I33-K96 PolarHBondContact N-O 2.55Å; K96-E130 CarbonylContact C-O 3.6Å; K96-E130 WeakPolarHBondContact CA-O 3.26Å; K96-V132 HydrophobicContact CB-CG1 4.36Å; K96-V132 HydrophobicContact CB-CG2 3.8Å; K96-V132 HydrophobicContact CD-CG1 4.13Å; K96-V132 HydrophobicContact CG-CG1 4.12Å; K96-V132 HydrophobicContact CG-CG2 4.42Å |
| 97 | L | 96.6 | Very high | 93.9 | Very high | 33 Ų | 33 | 49.4 Ų | 49.4 | 17% | 0.173 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 136.6 | 177.5 | -174.2 | 65.8 | 0 | 0 | 0 | 109.6 | I33 P108 A112 E130 V132 | I33-L97 HydrophobicContact CB-CD1 4.02Å; I33-L97 HydrophobicContact CG2-CD1 3.83Å; I33-L97 CarbonylContact O-C 3.58Å; L97-P108 HydrophobicContact CD2-CB 4.28Å; L97-P108 HydrophobicContact CD2-CG 4.26Å; L97-A112 HydrophobicContact CD1-CB 3.74Å; L97-E130 PolarHBondContact N-O 2.85Å; L97-V132 WeakPolarHBondContact O-CG2 3.45Å; L97-V132 PolarHBondContact O-N 2.68Å |
| 98 | R | 97.4 | Very high | 94.1 | Very high | 117 Ų | 117 | 47.3 Ų | 47.3 | 44% | 0.442 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 121.3 | -179.1 | -174.4 | -179.1 | 168.3 | -172.2 | 1.9 | 110.5 | I33 F34 A35 V132 | I33-R98 PolarHBondContact O-N 3.48Å; F34-R98 CarbonylContact C-O 3.57Å; F34-R98 WeakPolarHBondContact CA-O 2.86Å; F34-R98 HydrophobicContact CD2-CB 4.14Å; F34-R98 HydrophobicContact CD2-CG 3.83Å; F34-R98 HydrophobicContact CE2-CG 4.39Å; A35-R98 PolarHBondContact N-O 3.36Å; R98-V132 HydrophobicContact CB-CG2 4.19Å |
| 99 | A | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -81.9 | 173.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | G101 K106 P108 T133 | A99-G101 VanDerWaalsContact C-N 3.26Å; A99-G101 PolarHBondContact O-N 3Å; A99-K106 VanDerWaalsContact CB-O 3.26Å; A99-K106 WeakPolarHBondContact CB-O 3.45Å; A99-P108 HydrophobicContact CB-CB 4.23Å; A99-T133 HydrophobicContact CB-CG2 3.76Å; A99-T133 PolarHBondContact N-OG1 2.9Å | ||
| 100 | T | 95.1 | Very high | 94.7 | Very high | 27 Ų | 27 | 46.2 Ų | 46.2 | 17% | 0.166 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -52.1 | -45.3 | 176.2 | -45 | 0 | 0 | 0 | 0 | 112.5 | R104 | T100-R104 HydrophobicContact CG2-CB 3.88Å; T100-R104 VanDerWaalsContact CG2-CD 3.43Å; T100-R104 HydrophobicContact CG2-CG 4.26Å |
| 101 | G | 93.3 | Very high | 94.9 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | trans | 63.4 | -161.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | A99 N103 R104 T105 | A99-G101 VanDerWaalsContact C-N 3.26Å; A99-G101 PolarHBondContact O-N 3Å; G101-N103 PolarHBondContact O-N 3.37Å; G101-R104 WeakPolarHBondContact O-CB 3.36Å; G101-R104 PolarHBondContact O-N 3.14Å; G101-T105 PolarHBondContact N-O 2.85Å | ||
| 102 | G | 92.8 | Very high | 95.1 | Very high | 23 Ų | 23 | 43.6 Ų | 43.6 | 24% | 0.237 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | -127.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112 | R104 P134 | G102-R104 VanDerWaalsContact C-N 3.29Å; G102-P134 PolarHBondContact N-O 3Å |
| 103 | N | 91.3 | Very high | 95.2 | Very high | 50 Ų | 50 | 49.9 Ų | 49.9 | 27% | 0.267 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 4.6 | 175.3 | 68.5 | 4.1 | 0 | 0 | 0 | 113.7 | G101 T140 R142 | G101-N103 PolarHBondContact O-N 3.37Å; N103-T140 PolarHBondContact ND2-OG1 3.4Å; N103-T140 VanDerWaalsContact ND2-OG1 3.13Å; N103-R142 HydrophobicContact CB-CG 4.35Å; N103-R142 WeakPolarHBondContact O-CD 3.43Å; N103-R142 VanDerWaalsContact O-CG 3.27Å; N103-R142 WeakPolarHBondContact O-CG 3.16Å |
| 104 | R | 92.6 | Very high | 95.2 | Very high | 170 Ų | 170 | 51.1 Ų | 51.1 | 64% | 0.642 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -101.6 | -155.5 | 177.7 | -59.1 | -177.3 | -179 | 177.6 | 4.4 | 110.4 | T100 G101 G102 | T100-R104 HydrophobicContact CG2-CB 3.88Å; T100-R104 VanDerWaalsContact CG2-CD 3.43Å; T100-R104 HydrophobicContact CG2-CG 4.26Å; G101-R104 WeakPolarHBondContact O-CB 3.36Å; G101-R104 PolarHBondContact O-N 3.14Å; G102-R104 VanDerWaalsContact C-N 3.29Å |
| 105 | T | 92.7 | Very high | 95.1 | Very high | 61 Ų | 61 | 49 Ų | 49 | 37% | 0.374 | 25% | 0.251 | S | S | . | . | trans | -73.5 | 129.6 | -180 | 53.5 | 0 | 0 | 0 | 0 | 111.1 | F37 G101 | F37-T105 HydrophobicContact CD2-CG2 4.25Å; F37-T105 HydrophobicContact CE2-CG2 3.79Å; F37-T105 WeakPolarHBondContact CE2-OG1 3.32Å; G101-T105 PolarHBondContact N-O 2.85Å | ||
| 106 | K | 94.1 | Very high | 95.1 | Very high | 97 Ų | 97 | 51.2 Ų | 51.2 | 42% | 0.422 | 26% | 0.263 | S | S | . | . | trans | -88.6 | -12.5 | 174.6 | -58.8 | 178.1 | -176.9 | -177.5 | 0 | 112.5 | A99 T133 | A99-K106 VanDerWaalsContact CB-O 3.26Å; A99-K106 WeakPolarHBondContact CB-O 3.45Å; K106-T133 HydrophobicContact CB-CG2 4.43Å | ||
| 107 | T | 94.9 | Very high | 95 | Very high | 93 Ų | 93 | 53.7 Ų | 53.7 | 57% | 0.571 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -75.9 | 127.2 | 175.2 | -46.1 | 0 | 0 | 0 | 0 | 109.6 | ||
| 108 | P | 94.8 | Very high | 95 | Very high | 47 Ų | 47 | 52.4 Ų | 52.4 | 31% | 0.305 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 145.6 | 173.9 | 27 | -33.6 | 0 | 0 | 0 | 110.5 | A35 L97 A99 A112 | A35-P108 HydrophobicContact CB-CB 4.39Å; L97-P108 HydrophobicContact CD2-CB 4.28Å; L97-P108 HydrophobicContact CD2-CG 4.26Å; A99-P108 HydrophobicContact CB-CB 4.23Å; P108-A112 HydrophobicContact CB-CB 3.96Å |
| 109 | G | 94.8 | Very high | 94.9 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -66.8 | 168.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | A35 S36 G111 A112 | A35-G109 PolarHBondContact O-N 2.88Å; S36-G109 WeakPolarHBondContact O-CA 3.46Å; G109-G111 VanDerWaalsContact C-N 3.28Å; G109-G111 PolarHBondContact O-N 2.87Å; G109-A112 VanDerWaalsContact O-CB 3.31Å; G109-A112 WeakPolarHBondContact O-CB 3.48Å; G109-A112 PolarHBondContact O-N 3.45Å; G109-A112 VanDerWaalsContact O-N 3.11Å |
| 110 | P | 95.8 | Very high | 94.9 | Very high | 66 Ų | 66 | 49.1 Ų | 49.1 | 43% | 0.429 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -30.7 | -171.7 | 21.8 | -31.7 | 0 | 0 | 0 | 114.3 | P71 A112 | P71-P110 HydrophobicContact CG-CB 4.48Å; P110-A112 VanDerWaalsContact C-N 3.29Å; P110-A112 PolarHBondContact O-N 3.06Å |
| 111 | G | 95.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -75.3 | -9.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | T40 S69 A74 G109 Q113 S114 A115 | T40-G111 VanDerWaalsContact CG2-CA 3.5Å; S69-G111 PolarHBondContact O-N 3.49Å; A74-G111 WeakPolarHBondContact CB-O 3.28Å; G109-G111 VanDerWaalsContact C-N 3.28Å; G109-G111 PolarHBondContact O-N 2.87Å; G111-Q113 PolarHBondContact O-N 2.9Å; G111-S114 PolarHBondContact O-N 3.44Å; G111-A115 WeakPolarHBondContact O-CB 3.45Å; G111-A115 PolarHBondContact O-N 3.48Å |
| 112 | A | 96.1 | Very high | 94.9 | Very high | 8 Ų | 8 | 58.2 Ų | 58.2 | 7% | 0.066 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -54.8 | -56.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A35 L97 P108 G109 P110 S114 L116 | A35-A112 HydrophobicContact CB-CB 3.56Å; L97-A112 HydrophobicContact CD1-CB 3.74Å; P108-A112 HydrophobicContact CB-CB 3.96Å; G109-A112 VanDerWaalsContact O-CB 3.31Å; G109-A112 WeakPolarHBondContact O-CB 3.48Å; G109-A112 PolarHBondContact O-N 3.45Å; G109-A112 VanDerWaalsContact O-N 3.11Å; P110-A112 VanDerWaalsContact C-N 3.29Å; P110-A112 PolarHBondContact O-N 3.06Å; A112-S114 VanDerWaalsContact C-N 3.29Å; A112-S114 PolarHBondContact O-N 3.31Å; A112-L116 PolarHBondContact O-N 3.37Å; A112-L116 VanDerWaalsContact O-N 3.16Å |
| 113 | Q | 96.1 | Very high | 94.9 | Very high | 131 Ų | 131 | 59.8 Ų | 59.8 | 61% | 0.612 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -67.6 | -34.7 | -177.2 | -171.1 | -177.6 | -1.9 | 0 | 0 | 111.1 | G111 R117 | G111-Q113 PolarHBondContact O-N 2.9Å; Q113-R117 VanDerWaalsContact O-CB 3.26Å; Q113-R117 WeakPolarHBondContact O-CB 3.26Å; Q113-R117 PolarHBondContact O-N 2.99Å |
| 114 | S | 96.3 | Very high | 95 | Very high | 26 Ų | 26 | 57.9 Ų | 57.9 | 18% | 0.182 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.6 | -48.2 | 178.6 | -165.4 | 0 | 0 | 0 | 0 | 111.9 | P71 G111 A112 L116 R117 A118 | P71-S114 WeakPolarHBondContact O-CB 3.14Å; P71-S114 PolarHBondContact O-OG 3.31Å; G111-S114 PolarHBondContact O-N 3.44Å; A112-S114 VanDerWaalsContact C-N 3.29Å; A112-S114 PolarHBondContact O-N 3.31Å; S114-L116 PolarHBondContact O-N 3.49Å; S114-R117 PolarHBondContact O-N 3.16Å; S114-A118 VanDerWaalsContact O-CB 3.28Å; S114-A118 WeakPolarHBondContact O-CB 3.41Å; S114-A118 PolarHBondContact O-N 3.48Å |
| 115 | A | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.2 | -47.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I33 V42 A74 A78 G111 R117 A118 L119 | I33-A115 HydrophobicContact CD1-CB 4.4Å; I33-A115 HydrophobicContact CG2-CB 4.33Å; V42-A115 HydrophobicContact CG2-CB 4.03Å; A74-A115 HydrophobicContact CB-CB 4.3Å; A78-A115 HydrophobicContact CB-CB 4.33Å; A78-A115 WeakPolarHBondContact CB-O 3.27Å; G111-A115 WeakPolarHBondContact O-CB 3.45Å; G111-A115 PolarHBondContact O-N 3.48Å; A115-R117 PolarHBondContact O-N 2.76Å; A115-A118 PolarHBondContact O-N 2.93Å; A115-L119 WeakPolarHBondContact O-CG 3.31Å; A115-L119 PolarHBondContact O-N 2.85Å |
| 116 | L | 96.1 | Very high | 95.3 | Very high | 48 Ų | 48 | 55 Ų | 55 | 25% | 0.251 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.2 | -46.5 | 177.5 | -174.8 | 155.4 | 0 | 0 | 0 | 111.6 | I33 I95 A112 S114 A118 L119 A120 I129 | I33-L116 HydrophobicContact CD1-CB 4.35Å; I95-L116 HydrophobicContact CD1-CD1 3.85Å; I95-L116 HydrophobicContact CD1-CG 3.67Å; I95-L116 HydrophobicContact CG2-CD1 4.35Å; A112-L116 PolarHBondContact O-N 3.37Å; A112-L116 VanDerWaalsContact O-N 3.16Å; S114-L116 PolarHBondContact O-N 3.49Å; L116-A118 VanDerWaalsContact C-N 3.31Å; L116-A118 PolarHBondContact O-N 2.93Å; L116-L119 PolarHBondContact O-N 3.36Å; L116-A120 PolarHBondContact O-N 2.81Å; L116-A120 VanDerWaalsContact O-N 3.1Å; L116-I129 HydrophobicContact CD1-CD1 4.31Å; L116-I129 HydrophobicContact CD1-CG2 4.4Å |
| 117 | R | 96.4 | Very high | 95.3 | Very high | 124 Ų | 124 | 51.6 Ų | 51.6 | 47% | 0.468 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 178.3 | -174.3 | -174.6 | -63 | -177.4 | 0.8 | 111.6 | Q113 S114 A115 A120 R121 | Q113-R117 VanDerWaalsContact O-CB 3.26Å; Q113-R117 WeakPolarHBondContact O-CB 3.26Å; Q113-R117 PolarHBondContact O-N 2.99Å; S114-R117 PolarHBondContact O-N 3.16Å; A115-R117 PolarHBondContact O-N 2.76Å; R117-A120 PolarHBondContact O-N 2.88Å; R117-R121 WeakPolarHBondContact O-CB 3.41Å; R117-R121 WeakPolarHBondContact O-CG 3.42Å; R117-R121 PolarHBondContact O-N 2.83Å |
| 118 | A | 96.5 | Very high | 95.4 | Very high | 5 Ų | 5 | 57 Ų | 57 | 4% | 0.041 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | M75 A78 S114 A115 L116 R121 S122 | M75-A118 HydrophobicContact CB-CB 4.32Å; M75-A118 HydrophobicContact CG-CB 3.91Å; A78-A118 HydrophobicContact CB-CB 3.58Å; S114-A118 VanDerWaalsContact O-CB 3.28Å; S114-A118 WeakPolarHBondContact O-CB 3.41Å; S114-A118 PolarHBondContact O-N 3.48Å; A115-A118 PolarHBondContact O-N 2.93Å; L116-A118 VanDerWaalsContact C-N 3.31Å; L116-A118 PolarHBondContact O-N 2.93Å; A118-R121 PolarHBondContact O-N 2.87Å; A118-S122 WeakPolarHBondContact O-CB 3.26Å; A118-S122 PolarHBondContact O-N 3.3Å |
| 119 | L | 95.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59 | -47.3 | 172.3 | -70.8 | 172.6 | 0 | 0 | 0 | 111.3 | I33 V42 A78 V81 A82 L93 A115 L116 R121 S122 M124 I126 | I33-L119 HydrophobicContact CD1-CD1 4.06Å; V42-L119 HydrophobicContact CG1-CD1 4.44Å; A78-L119 HydrophobicContact CB-CD2 4.16Å; A78-L119 HydrophobicContact CB-CG 4.02Å; V81-L119 HydrophobicContact CG1-CD2 4.14Å; A82-L119 HydrophobicContact CB-CD2 4.34Å; L93-L119 HydrophobicContact CD1-CD2 4.3Å; A115-L119 WeakPolarHBondContact O-CG 3.31Å; A115-L119 PolarHBondContact O-N 2.85Å; L116-L119 PolarHBondContact O-N 3.36Å; L119-R121 PolarHBondContact O-N 3.2Å; L119-S122 PolarHBondContact O-N 2.91Å; L119-S122 PolarHBondContact O-OG 2.6Å; L119-M124 PolarHBondContact O-N 2.9Å; L119-I126 HydrophobicContact CB-CD1 4.29Å |
| 120 | A | 95.5 | Very high | 95.6 | Very high | 49 Ų | 49 | 64.6 Ų | 64.6 | 41% | 0.405 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L116 R117 S122 G123 I126 | L116-A120 PolarHBondContact O-N 2.81Å; L116-A120 VanDerWaalsContact O-N 3.1Å; R117-A120 PolarHBondContact O-N 2.88Å; A120-S122 VanDerWaalsContact C-N 3.26Å; A120-S122 PolarHBondContact O-N 3.24Å; A120-G123 PolarHBondContact O-N 2.99Å; A120-G123 VanDerWaalsContact O-N 3.12Å; A120-I126 HydrophobicContact CB-CG1 4.16Å |
| 121 | R | 95.6 | Very high | 95.6 | Very high | 195 Ų | 195 | 66.2 Ų | 66.2 | 74% | 0.736 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -64.4 | -28.4 | 178.1 | -78.2 | -178.7 | 171.1 | -172.2 | -5 | 113.7 | R117 A118 L119 G123 | R117-R121 WeakPolarHBondContact O-CB 3.41Å; R117-R121 WeakPolarHBondContact O-CG 3.42Å; R117-R121 PolarHBondContact O-N 2.83Å; A118-R121 PolarHBondContact O-N 2.87Å; L119-R121 PolarHBondContact O-N 3.2Å; R121-G123 PolarHBondContact O-N 3.11Å |
| 122 | S | 94 | Very high | 95.6 | Very high | 25 Ų | 25 | 68.5 Ų | 68.5 | 18% | 0.175 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -7.5 | 176.5 | 74.8 | 0 | 0 | 0 | 0 | 113.5 | A82 K86 A118 L119 A120 | A82-S122 VanDerWaalsContact CB-CB 3.42Å; A82-S122 WeakPolarHBondContact CB-OG 3.44Å; K86-S122 VanDerWaalsContact CE-O 3.23Å; K86-S122 WeakPolarHBondContact CE-O 3.39Å; K86-S122 PolarHBondContact NZ-O 2.91Å; A118-S122 WeakPolarHBondContact O-CB 3.26Å; A118-S122 PolarHBondContact O-N 3.3Å; L119-S122 PolarHBondContact O-N 2.91Å; L119-S122 PolarHBondContact O-OG 2.6Å; A120-S122 VanDerWaalsContact C-N 3.26Å; A120-S122 PolarHBondContact O-N 3.24Å |
| 123 | G | 91.6 | Very high | 95.6 | Very high | 56 Ų | 56 | 68.6 Ų | 68.6 | 58% | 0.577 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.4 | 12.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | A120 R121 | A120-G123 PolarHBondContact O-N 2.99Å; A120-G123 VanDerWaalsContact O-N 3.12Å; R121-G123 PolarHBondContact O-N 3.11Å |
| 124 | M | 93.6 | Very high | 95.6 | Very high | 11 Ų | 11 | 64.8 Ų | 64.8 | 5% | 0.054 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 134 | 170.8 | -69.3 | -60.1 | -177.2 | 0 | 0 | 111 | A82 C85 K86 L93 L119 I126 | A82-M124 HydrophobicContact CB-CE 3.96Å; A82-M124 HydrophobicContact CB-CG 4.12Å; A82-M124 WeakPolarHBondContact O-CE 3.17Å; C85-M124 HydrophobicContact CB-CE 3.23Å; K86-M124 HydrophobicContact CG-CE 3.77Å; L93-M124 HydrophobicContact CD1-CB 4.49Å; L93-M124 HydrophobicContact CD1-CG 4.24Å; L119-M124 PolarHBondContact O-N 2.9Å; M124-I126 HydrophobicContact CB-CD1 4.29Å; M124-I126 PolarHBondContact O-N 2.82Å |
| 125 | K | 94.9 | Very high | 95.5 | Very high | 113 Ų | 113 | 69.3 Ų | 69.3 | 49% | 0.491 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 117.9 | 171.5 | -67.9 | -178.3 | -175.1 | 175.7 | 0 | 109.1 | N26 T91 A92 L93 | N26-K125 VanDerWaalsContact OD1-CD 3.22Å; N26-K125 WeakPolarHBondContact OD1-CD 3.5Å; N26-K125 WeakPolarHBondContact OD1-CE 3.47Å; N26-K125 PolarHBondContact OD1-NZ 3.41Å; T91-K125 PolarHBondContact O-N 2.87Å; T91-K125 VanDerWaalsContact O-N 3.07Å; A92-K125 CarbonylContact C-O 3.56Å; A92-K125 WeakPolarHBondContact CA-O 3.4Å; A92-K125 HydrophobicContact CB-CB 3.83Å; A92-K125 WeakPolarHBondContact CB-O 3.47Å; L93-K125 PolarHBondContact N-O 2.8Å |
| 126 | I | 95.8 | Very high | 95.4 | Very high | 56 Ų | 56 | 71.6 Ų | 71.6 | 29% | 0.287 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 121.5 | 178.4 | -54.6 | -48.6 | 0 | 0 | 0 | 108.8 | I95 L119 A120 M124 I129 | I95-I126 HydrophobicContact CD1-CD1 4.06Å; I95-I126 HydrophobicContact CD1-CG1 4.45Å; I95-I126 HydrophobicContact CD1-CG2 3.58Å; I95-I126 HydrophobicContact CG1-CG2 4.04Å; L119-I126 HydrophobicContact CB-CD1 4.29Å; A120-I126 HydrophobicContact CB-CG1 4.16Å; M124-I126 HydrophobicContact CB-CD1 4.29Å; M124-I126 PolarHBondContact O-N 2.82Å; I126-I129 HydrophobicContact CG2-CD1 4.03Å; I126-I129 HydrophobicContact CG2-CG1 3.91Å |
| 127 | G | 94.8 | Very high | 95.3 | Very high | 26 Ų | 26 | 76.1 Ų | 76.1 | 27% | 0.268 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | -140.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L93 | L93-G127 PolarHBondContact O-N 3.02Å |
| 128 | R | 96.3 | Very high | 95.1 | Very high | 208 Ų | 208 | 76.8 Ų | 76.8 | 79% | 0.785 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 138.7 | 173.2 | -58.6 | -177.6 | -178 | -173.8 | 0.9 | 111.9 | H94 I95 | H94-R128 PolarHBondContact ND1-N 2.72Å; I95-R128 PolarHBondContact N-O 2.72Å |
| 129 | I | 96.8 | Very high | 94.7 | Very high | 102 Ų | 102 | 80 Ų | 80 | 52% | 0.523 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 124.3 | 173.3 | -55.3 | 170 | 0 | 0 | 0 | 107.2 | I95 L116 I126 | I95-I129 HydrophobicContact CB-CG1 4.24Å; I95-I129 HydrophobicContact CB-CG2 4.33Å; I95-I129 HydrophobicContact CD1-CG1 4.42Å; I95-I129 HydrophobicContact CG2-CG2 4.37Å; I95-I129 CarbonylContact O-C 3.51Å; I95-I129 WeakPolarHBondContact O-CA 3.48Å; L116-I129 HydrophobicContact CD1-CD1 4.31Å; L116-I129 HydrophobicContact CD1-CG2 4.4Å; I126-I129 HydrophobicContact CG2-CD1 4.03Å; I126-I129 HydrophobicContact CG2-CG1 3.91Å |
| 130 | E | 97 | Very high | 94.5 | Very high | 107 Ų | 107 | 84.7 Ų | 84.7 | 50% | 0.5 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 137 | -178.2 | -171.2 | -178.7 | -171.4 | 0 | 0 | 109.8 | I95 K96 L97 V132 | I95-E130 PolarHBondContact O-N 2.91Å; K96-E130 CarbonylContact C-O 3.6Å; K96-E130 WeakPolarHBondContact CA-O 3.26Å; L97-E130 PolarHBondContact N-O 2.85Å; E130-V132 HydrophobicContact CB-CG1 4.43Å; E130-V132 HydrophobicContact CG-CG1 3.88Å |
| 131 | D | 96.2 | Very high | 94.4 | Very high | 100 Ų | 100 | 92.2 Ų | 92.2 | 54% | 0.535 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 115 | 166.7 | -179.1 | 20.7 | 0 | 0 | 0 | 109 | T133 | D131-T133 WeakPolarHBondContact OD1-CB 3.43Å; D131-T133 PolarHBondContact OD1-N 3.03Å; D131-T133 PolarHBondContact OD1-OG1 2.81Å |
| 132 | V | 96.5 | Very high | 94.2 | Very high | 48 Ų | 48 | 90.6 Ų | 90.6 | 29% | 0.291 | 48% | 0.479 | S | S | . | . | trans | -112.4 | 26.7 | 178.2 | -60.4 | 0 | 0 | 0 | 0 | 110.9 | K96 L97 R98 E130 P134 | K96-V132 HydrophobicContact CB-CG1 4.36Å; K96-V132 HydrophobicContact CB-CG2 3.8Å; K96-V132 HydrophobicContact CD-CG1 4.13Å; K96-V132 HydrophobicContact CG-CG1 4.12Å; K96-V132 HydrophobicContact CG-CG2 4.42Å; L97-V132 WeakPolarHBondContact O-CG2 3.45Å; L97-V132 PolarHBondContact O-N 2.68Å; R98-V132 HydrophobicContact CB-CG2 4.19Å; E130-V132 HydrophobicContact CB-CG1 4.43Å; E130-V132 HydrophobicContact CG-CG1 3.88Å; V132-P134 WeakPolarHBondContact O-CD 3.21Å | ||
| 133 | T | 96.6 | Very high | 94.1 | Very high | 11 Ų | 11 | 99.5 Ų | 99.5 | 7% | 0.067 | 51% | 0.514 | C | S | . | . | trans | -54.7 | 123.8 | 171.5 | -64.9 | 0 | 0 | 0 | 0 | 109.3 | A99 K106 D131 I135 | A99-T133 HydrophobicContact CB-CG2 3.76Å; A99-T133 PolarHBondContact N-OG1 2.9Å; K106-T133 HydrophobicContact CB-CG2 4.43Å; D131-T133 WeakPolarHBondContact OD1-CB 3.43Å; D131-T133 PolarHBondContact OD1-N 3.03Å; D131-T133 PolarHBondContact OD1-OG1 2.81Å; T133-I135 PolarHBondContact O-N 3.02Å | ||
| 134 | P | 95.9 | Very high | 94 | Very high | 50 Ų | 50 | 98.8 Ų | 98.8 | 33% | 0.325 | 51% | 0.507 | S | S | . | . | trans | -67.8 | 110.4 | -177 | 24 | -30.8 | 0 | 0 | 0 | 109.7 | G102 V132 | G102-P134 PolarHBondContact N-O 3Å; V132-P134 WeakPolarHBondContact O-CD 3.21Å | ||
| 135 | I | 93.9 | Very high | 93.8 | Very high | 121 Ų | 121 | 100.6 Ų | 100.6 | 62% | 0.621 | 53% | 0.529 | S | S | * | . | trans | -101 | 116 | 175.2 | -61.7 | 167.8 | 0 | 0 | 0 | 107.2 | T133 | T133-I135 PolarHBondContact O-N 3.02Š| ||
| 136 | P | 93 | Very high | 93.5 | Very high | 48 Ų | 48 | 107 Ų | 107 | 31% | 0.312 | 55% | 0.55 | S | S | . | . | trans | -82.6 | 141.8 | -178.1 | 39.9 | -39.3 | 0 | 0 | 0 | 109.7 | D138 | P136-D138 VanDerWaalsContact C-N 3.28Å; P136-D138 WeakPolarHBondContact CB-O 3.41Å; P136-D138 WeakPolarHBondContact CG-O 3.27Å; P136-D138 PolarHBondContact O-N 3.13Å | ||
| 137 | S | 94.1 | Very high | 93.4 | Very high | 143 Ų | 143 | 113.7 Ų | 113.7 | 100% | 1 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -60.7 | -39.2 | -179.5 | -52.3 | 0 | 0 | 0 | 0 | 112.2 | ||
| 138 | D | 92.7 | Very high | 93.2 | Very high | 138 Ų | 138 | 114.3 Ų | 114.3 | 74% | 0.738 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -128 | 165.3 | 164 | -173 | 17.5 | 0 | 0 | 0 | 108.6 | P136 | P136-D138 VanDerWaalsContact C-N 3.28Å; P136-D138 WeakPolarHBondContact CB-O 3.41Å; P136-D138 WeakPolarHBondContact CG-O 3.27Å; P136-D138 PolarHBondContact O-N 3.13Å |
| 139 | S | 89.2 | Confident | 92.9 | Very high | 73 Ų | 73 | 114.8 Ų | 114.8 | 51% | 0.51 | 58% | 0.58 | S | S | . | * | trans | -106.9 | 134.3 | -177.3 | 70.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 140 | T | 91.6 | Very high | 92.5 | Very high | 98 Ų | 98 | 118.6 Ų | 118.6 | 60% | 0.601 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 153.5 | 160.6 | 59.2 | 0 | 0 | 0 | 0 | 109.9 | N103 R142 | N103-T140 PolarHBondContact ND2-OG1 3.4Å; N103-T140 VanDerWaalsContact ND2-OG1 3.13Å; T140-R142 PolarHBondContact O-N 3.43Å; T140-R142 VanDerWaalsContact O-N 3.17Å |
| 141 | R | 92.8 | Very high | 91.9 | Very high | 208 Ų | 208 | 123.3 Ų | 123.3 | 79% | 0.785 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 124 | 178.3 | -175.1 | 177.6 | 177.3 | 178.9 | -0.3 | 110.6 | ||
| 142 | R | 91.9 | Very high | 91.7 | Very high | 161 Ų | 161 | 124.5 Ų | 124.5 | 61% | 0.608 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 154.3 | 178.6 | -59.9 | -165.1 | 175.1 | 169.2 | -0.8 | 111.4 | N103 T140 G144 | N103-R142 HydrophobicContact CB-CG 4.35Å; N103-R142 WeakPolarHBondContact O-CD 3.43Å; N103-R142 VanDerWaalsContact O-CG 3.27Å; N103-R142 WeakPolarHBondContact O-CG 3.16Å; T140-R142 PolarHBondContact O-N 3.43Å; T140-R142 VanDerWaalsContact O-N 3.17Å; R142-G144 PolarHBondContact O-N 3.17Å |
| 143 | K | 90.5 | Very high | 91.4 | Very high | 211 Ų | 211 | 128.5 Ų | 128.5 | 92% | 0.917 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -63.9 | 130.8 | 169.9 | -172.5 | 177.3 | -179.5 | 179.5 | 0 | 109.4 | ||
| 144 | G | 90.3 | Very high | 91.2 | Very high | 41 Ų | 41 | 135 Ų | 135 | 42% | 0.423 | 67% | 0.668 | S | S | . | * | S | Bend | trans | 125.6 | 153 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R142 | R142-G144 PolarHBondContact O-N 3.17Š|
| 145 | G | 89.3 | Confident | 90.9 | Very high | 50 Ų | 50 | 140 Ų | 140 | 52% | 0.515 | 69% | 0.688 | S | S | . | * | B | Isolated β-bridge | trans | -67.2 | 176.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | R147 G148 | G145-R147 PolarHBondContact O-N 2.85Å; G145-G148 PolarHBondContact O-N 3.07Å |
| 146 | R | 89.6 | Confident | 90.7 | Very high | 248 Ų | 248 | 141.2 Ų | 141.2 | 94% | 0.936 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.3 | -29.7 | 174.5 | -177.7 | 175 | 177.8 | 171.8 | 0.1 | 112.8 | ||
| 147 | R | 92.4 | Very high | 90.5 | Very high | 195 Ų | 195 | 147.4 Ų | 147.4 | 74% | 0.736 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | 4.9 | 177.6 | -49.4 | -158 | -161.8 | 156.9 | -6.8 | 114 | G145 R150 | G145-R147 PolarHBondContact O-N 2.85Å; R147-R150 VanDerWaalsContact CD-NH2 3.28Å |
| 148 | G | 90.2 | Very high | 90.3 | Very high | 40 Ų | 40 | 147.7 Ų | 147.7 | 41% | 0.412 | 70% | 0.697 | S | S | . | * | B | Isolated β-bridge | trans | 68 | -159.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | G145 | G145-G148 PolarHBondContact O-N 3.07Å |
| 149 | R | 90 | Very high | 90.1 | Very high | 218 Ų | 218 | 148.5 Ų | 148.5 | 82% | 0.823 | 69% | 0.694 | S | S | * | * | trans | -81.2 | 130.8 | 172.1 | -175.2 | -176.8 | 169.6 | 156 | 7.3 | 108.3 | L151 | R149-L151 WeakPolarHBondContact CD-O 3.5Å; R149-L151 WeakPolarHBondContact CG-O 3.16Å; R149-L151 PolarHBondContact NE-O 3.42Å | ||
| 150 | R | 89.9 | Confident | 90.2 | Very high | 182 Ų | 182 | 154.8 Ų | 154.8 | 69% | 0.687 | 71% | 0.71 | S | S | * | * | trans | -105.5 | 10.7 | -175.7 | -57.2 | -172 | -171.6 | 172.3 | 9.7 | 113.9 | R147 | R147-R150 VanDerWaalsContact CD-NH2 3.28Š| ||
| 151 | L | 83.8 | Confident | 90 | Very high | 205 Ų | 205 | 159.9 Ų | 159.9 | 100% | 1.073 | 72% | 0.72 | S | S | * | * | trans | -120 | 0 | 177.1 | -64.1 | 173.7 | 0 | 0 | 0 | 108.2 | R149 | R149-L151 WeakPolarHBondContact CD-O 3.5Å; R149-L151 WeakPolarHBondContact CG-O 3.16Å; R149-L151 PolarHBondContact NE-O 3.42Å |
Retrieved 151 of 151 residues in 84.5 ms
(Link to these results)