| 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 | 36.3 | Very low | 32.3 | Very low | 229 Ų | 229 | 145.9 Ų | 145.9 | 100% | 1.128 | 76% | 0.764 | S | S | * | * | 0 | 139.8 | 0 | -68.9 | 177 | 178.7 | 0 | 0 | 108.2 | |||||
| 2 | R | 29.5 | Very low | 32.5 | Very low | 249 Ų | 249 | 147.1 Ų | 147.1 | 94% | 0.94 | 77% | 0.771 | S | S | * | * | trans | 56.9 | 134.3 | 153.1 | -64.8 | 178.8 | -177.1 | -173 | 0.6 | 117.6 | ||||
| 3 | A | 29.8 | Very low | 32.4 | Very low | 86 Ų | 86 | 142.8 Ų | 142.8 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | cis | -160.4 | 151.4 | 1.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 4 | A | 32.1 | Very low | 32.4 | Very low | 82 Ų | 82 | 146.1 Ų | 146.1 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | 62.9 | 147.8 | 118.1 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 5 | M | 33.5 | Very low | 32.6 | Very low | 159 Ų | 159 | 144.3 Ų | 144.3 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | cis | -174.6 | 154.8 | -6 | -111.6 | 170.1 | 171.5 | 0 | 0 | 111.5 | ||||
| 6 | I | 32 | Very low | 32.2 | Very low | 132 Ų | 132 | 146.1 Ų | 146.1 | 68% | 0.677 | 79% | 0.789 | S | S | * | * | trans | 67.9 | 143.2 | 139.1 | -68 | 166.7 | 0 | 0 | 0 | 117.6 | ||||
| 7 | V | 35.9 | Very low | 32.1 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | cis | -133.8 | 137.8 | 22 | -156.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 8 | Q | 32.6 | Very low | 31.7 | Very low | 155 Ų | 155 | 140.3 Ų | 140.3 | 72% | 0.724 | 80% | 0.796 | S | S | * | * | 61 | 145.2 | 64 | -79.5 | -174.5 | -28 | 0 | 0 | 114.2 | |||||
| 9 | L | 29.7 | Very low | 31.4 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 61% | 0.613 | 79% | 0.793 | S | S | * | * | cis | -167.4 | 176 | 7.5 | -128.6 | 162.6 | 0 | 0 | 0 | 111.8 | L11 | L9-L11 HydrophobicContact CD2-CD1 4.47Š| ||
| 10 | I | 32.1 | Very low | 31.2 | Very low | 148 Ų | 148 | 138.8 Ų | 138.8 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | trans | 83.5 | 137.8 | 158.6 | -59.9 | 143.7 | 0 | 0 | 0 | 118.8 | ||||
| 11 | L | 31.6 | Very low | 31.2 | Very low | 129 Ų | 129 | 140.5 Ų | 140.5 | 68% | 0.675 | 79% | 0.794 | S | S | * | * | cis | -174.6 | 144.4 | -44.5 | -102 | 158.3 | 0 | 0 | 0 | 110.1 | L9 | L9-L11 HydrophobicContact CD2-CD1 4.47Š| ||
| 12 | L | 34.3 | Very low | 31 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | trans | 49.7 | 118.4 | 151.5 | -65.6 | 163.3 | 0 | 0 | 0 | 123 | ||||
| 13 | A | 31.3 | Very low | 31.6 | Very low | 92 Ų | 92 | 131.4 Ų | 131.4 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | -177.2 | 130 | 124 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 14 | M | 33.1 | Very low | 32.5 | Very low | 189 Ų | 189 | 134.1 Ų | 134.1 | 93% | 0.931 | 76% | 0.756 | S | S | * | * | trans | 65.7 | 149.2 | 157.2 | -59 | -177.4 | -177 | 0 | 0 | 121.4 | ||||
| 15 | P | 34.4 | Very low | 33.6 | Very low | 119 Ų | 119 | 132 Ų | 132 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | trans | -123.8 | 97.4 | -165.7 | 36.2 | -16.2 | 0 | 0 | 0 | 114.7 | ||||
| 16 | L | 26.8 | Very low | 35.5 | Very low | 173 Ų | 173 | 130.1 Ų | 130.1 | 91% | 0.906 | 72% | 0.72 | S | S | * | * | trans | -144.5 | 128.2 | 170.9 | -75.1 | 174.7 | 0 | 0 | 0 | 112.6 | ||||
| 17 | A | 30.4 | Very low | 38.2 | Very low | 107 Ų | 107 | 126.1 Ų | 126.1 | 88% | 0.884 | 70% | 0.697 | S | S | * | * | trans | 21.2 | 126.9 | 161.5 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 18 | G | 25.3 | Very low | 40.9 | Very low | 81 Ų | 81 | 120.7 Ų | 120.7 | 84% | 0.835 | 67% | 0.665 | S | S | * | * | trans | 118 | 145.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 19 | N | 25.7 | Very low | 43.8 | Very low | 138 Ų | 138 | 113.3 Ų | 113.3 | 74% | 0.738 | 63% | 0.63 | S | S | * | * | cis | -147.3 | 114.3 | 9.9 | -169.7 | 5.9 | 0 | 0 | 0 | 108.8 | Q21 | N19-Q21 PolarHBondContact O-N 3.16Å; N19-Q21 VanDerWaalsContact O-N 3.13Å | ||
| 20 | S | 27 | Very low | 46.8 | Very low | 111 Ų | 111 | 108.2 Ų | 108.2 | 78% | 0.776 | 60% | 0.604 | S | S | * | * | trans | -82.5 | 91.6 | 177 | 55 | 0 | 0 | 0 | 0 | 109.9 | R22 | S20-R22 PolarHBondContact O-N 2.61Š| ||
| 21 | Q | 31.3 | Very low | 49.8 | Very low | 175 Ų | 175 | 101.2 Ų | 101.2 | 82% | 0.818 | 57% | 0.568 | S | S | * | * | trans | -68.7 | 81.4 | 172.8 | -85.8 | -174.3 | -25.6 | 0 | 0 | 110.6 | N19 C23 | N19-Q21 PolarHBondContact O-N 3.16Å; N19-Q21 VanDerWaalsContact O-N 3.13Å; Q21-C23 PolarHBondContact O-N 3.13Å; Q21-C23 VanDerWaalsContact O-N 3.14Å | ||
| 22 | R | 32.1 | Very low | 52.8 | Low | 208 Ų | 208 | 95.1 Ų | 95.1 | 79% | 0.785 | 54% | 0.536 | S | S | * | . | trans | -49.1 | 116 | 163.6 | -96.8 | 176.6 | 164.1 | 170.5 | -3.9 | 108.5 | S20 Q24 | S20-R22 PolarHBondContact O-N 2.61Å; R22-Q24 HydrophobicContact CB-CG 4.35Å; R22-Q24 PolarHBondContact O-N 2.9Å | ||
| 23 | C | 42 | Very low | 55.8 | Low | 80 Ų | 80 | 87.5 Ų | 87.5 | 54% | 0.541 | 50% | 0.496 | S | S | . | . | trans | -66.6 | 97.7 | 170 | -166.2 | 0 | 0 | 0 | 0 | 108.8 | Q21 C383 | Q21-C23 PolarHBondContact O-N 3.13Å; Q21-C23 VanDerWaalsContact O-N 3.14Å; C23-C383 HydrophobicContact CB-CB 3.55Å; C23-C383 WeakPolarHBondContact CB-SG 3Å; C23-C383 WeakPolarHBondContact SG-CB 3.35Å; C23-C383 CovalentContact SG-SG 2.02Å; C23-C383 PolarHBondContact SG-SG 2.88Å | ||
| 24 | Q | 48.7 | Very low | 58.8 | Low | 143 Ų | 143 | 83.3 Ų | 83.3 | 67% | 0.668 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -87.1 | 136 | -178.7 | -70.8 | -140.3 | 15.9 | 0 | 0 | 110.8 | R22 R26 | R22-Q24 HydrophobicContact CB-CG 4.35Å; R22-Q24 PolarHBondContact O-N 2.9Å; Q24-R26 PolarHBondContact O-N 3.08Å |
| 25 | P | 55.5 | Low | 61.7 | Low | 38 Ų | 38 | 74.3 Ų | 74.3 | 25% | 0.247 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 123.7 | 175.6 | 26.1 | -36.5 | 0 | 0 | 0 | 111.9 | N184 V385 | P25-N184 VanDerWaalsContact CG-ND2 3.33Å; P25-N184 WeakPolarHBondContact CG-ND2 3.11Å; P25-V385 HydrophobicContact CB-CB 4.15Å; P25-V385 HydrophobicContact CB-CG1 3.74Å; P25-V385 HydrophobicContact CB-CG2 4.07Å |
| 26 | R | 73.1 | Confident | 64.8 | Low | 118 Ų | 118 | 68.6 Ų | 68.6 | 45% | 0.445 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 140 | 180 | -67.3 | -173.6 | 178.4 | -164.8 | 0.6 | 111.3 | Q24 P358 | Q24-R26 PolarHBondContact O-N 3.08Å; R26-P358 PolarHBondContact NH1-O 3.33Å |
| 27 | K | 89.5 | Confident | 68.1 | Low | 48 Ų | 48 | 62.2 Ų | 62.2 | 21% | 0.209 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 137.9 | -177.1 | -61 | -173 | -176.5 | 174.6 | 0 | 110.6 | L179 N184 L230 V234 N235 | K27-L179 HydrophobicContact CB-CD2 4.18Å; K27-L179 HydrophobicContact CD-CD2 4.13Å; K27-L179 PolarHBondContact NZ-O 3.22Å; K27-N184 CarbonylContact C-O 3.54Å; K27-N184 VanDerWaalsContact CA-O 3.26Å; K27-N184 WeakPolarHBondContact CA-O 3.12Å; K27-L230 HydrophobicContact CD-CD2 4.5Å; K27-V234 HydrophobicContact CB-CG2 3.85Å; K27-V234 CarbonylContact O-C 3.3Å; K27-V234 WeakPolarHBondContact O-CA 3.4Å; K27-N235 PolarHBondContact O-N 3.45Å |
| 28 | T | 91.2 | Very high | 71.1 | Confident | 6 Ų | 6 | 58.3 Ų | 58.3 | 4% | 0.037 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 134 | -176.3 | -56.4 | 0 | 0 | 0 | 0 | 111.2 | N184 F185 V186 N235 F388 | T28-N184 PolarHBondContact N-O 3.39Å; T28-F185 HydrophobicContact CG2-CD2 4.35Å; T28-F185 HydrophobicContact CG2-CE2 4.47Å; T28-F185 WeakPolarHBondContact O-CA 3.45Å; T28-V186 PolarHBondContact O-N 3.22Å; T28-N235 CarbonylContact C-O 3.56Å; T28-N235 VanDerWaalsContact CA-O 3.3Å; T28-N235 WeakPolarHBondContact CA-O 3.48Å; T28-N235 HydrophobicContact CG2-CB 4.05Å; T28-N235 PolarHBondContact OG1-ND2 3.29Å; T28-F388 HydrophobicContact CG2-CD2 4.02Å; T28-F388 HydrophobicContact CG2-CE2 4.24Å; T28-F388 HydrophobicContact CG2-CG 4.47Å |
| 29 | I | 94.1 | Very high | 74.4 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 123.7 | 173.1 | -51.6 | 168.4 | 0 | 0 | 0 | 107.8 | V31 I175 L179 V186 L225 V234 N235 L236 I237 | I29-V31 HydrophobicContact CG2-CG2 3.78Å; I29-I175 HydrophobicContact CD1-CG2 3.99Å; I29-I175 HydrophobicContact CG1-CG2 4.43Å; I29-L179 HydrophobicContact CD1-CD1 3.72Å; I29-L179 HydrophobicContact CG1-CD1 4.07Å; I29-V186 WeakPolarHBondContact CA-O 3.21Å; I29-V186 HydrophobicContact CB-CB 4.49Å; I29-V186 HydrophobicContact CG1-CB 4.28Å; I29-V186 HydrophobicContact CG2-CB 4.27Å; I29-V186 HydrophobicContact CG2-CG1 4.26Å; I29-L225 HydrophobicContact CD1-CD1 4.09Å; I29-L225 HydrophobicContact CD1-CD2 3.9Å; I29-V234 HydrophobicContact CD1-CG1 3.72Å; I29-V234 HydrophobicContact CG1-CG1 3.75Å; I29-N235 PolarHBondContact N-O 3.39Å; I29-L236 HydrophobicContact CB-CD1 4.09Å; I29-L236 HydrophobicContact CG2-CD1 4.2Å; I29-I237 PolarHBondContact O-N 2.83Å |
| 30 | L | 93.9 | Very high | 77.9 | Confident | 10 Ų | 10 | 48.2 Ų | 48.2 | 5% | 0.052 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 115.5 | 169 | 175.3 | 61.8 | 0 | 0 | 0 | 109.2 | W144 V186 L187 F188 I237 T239 F388 | L30-W144 HydrophobicContact CD2-CH2 3.67Å; L30-W144 HydrophobicContact CD2-CZ2 4.15Å; L30-W144 HydrophobicContact CD2-CZ3 4.42Å; L30-W144 HydrophobicContact CG-CH2 3.72Å; L30-W144 HydrophobicContact CG-CZ3 4.09Å; L30-V186 PolarHBondContact N-O 3.33Å; L30-L187 HydrophobicContact CB-CD2 4.15Å; L30-L187 HydrophobicContact CD2-CD2 3.8Å; L30-L187 HydrophobicContact CG-CD2 4.29Å; L30-F188 PolarHBondContact O-N 2.94Å; L30-I237 HydrophobicContact CD1-CB 3.8Å; L30-I237 HydrophobicContact CD1-CG2 3.59Å; L30-T239 HydrophobicContact CD1-CG2 3.88Å; L30-F388 HydrophobicContact CD2-CE1 4.39Å |
| 31 | V | 95.1 | Very high | 81.1 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 125.2 | 178.6 | -172.2 | 0 | 0 | 0 | 0 | 109.5 | I29 L33 F188 L221 L236 I237 I238 T239 | I29-V31 HydrophobicContact CG2-CG2 3.78Å; V31-L33 HydrophobicContact CG1-CD2 3.9Å; V31-L33 HydrophobicContact CG1-CG 4.4Å; V31-F188 CarbonylContact C-O 3.59Å; V31-F188 VanDerWaalsContact CA-O 3.26Å; V31-F188 WeakPolarHBondContact CA-O 3.06Å; V31-F188 HydrophobicContact CG1-CD1 4.05Å; V31-F188 HydrophobicContact CG2-CB 4.48Å; V31-F188 HydrophobicContact CG2-CD1 4.1Å; V31-L221 HydrophobicContact CG2-CD2 4.01Å; V31-L236 HydrophobicContact CG2-CD1 3.88Å; V31-I237 PolarHBondContact N-O 2.7Å; V31-I238 HydrophobicContact CB-CG1 4.26Å; V31-I238 HydrophobicContact CB-CG2 4.49Å; V31-I238 HydrophobicContact CG2-CG1 4.46Å; V31-I238 WeakPolarHBondContact O-CA 3.26Å; V31-T239 PolarHBondContact O-N 2.86Å |
| 32 | S | 94.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 121.6 | 171.7 | -169.9 | 0 | 0 | 0 | 0 | 109.9 | H80 F188 Y190 T239 | S32-H80 WeakPolarHBondContact CB-NE2 3.16Å; S32-H80 PolarHBondContact OG-CE1 2.94Å; S32-H80 PolarHBondContact OG-NE2 2.89Å; S32-F188 PolarHBondContact N-O 2.82Å; S32-Y190 PolarHBondContact O-N 2.75Å; S32-T239 WeakPolarHBondContact CA-O 3.41Å |
| 33 | L | 96.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 99 | 174.8 | -55.4 | -177.9 | 0 | 0 | 0 | 107.7 | V31 G35 F36 W168 Y190 L214 V218 I238 T239 S240 L352 | V31-L33 HydrophobicContact CG1-CD2 3.9Å; V31-L33 HydrophobicContact CG1-CG 4.4Å; L33-G35 PolarHBondContact O-N 3.47Å; L33-F36 HydrophobicContact CB-CB 4.03Å; L33-F36 HydrophobicContact CB-CD2 4.19Å; L33-F36 HydrophobicContact CD1-CD2 3.86Å; L33-F36 HydrophobicContact CD1-CE2 4.23Å; L33-F36 WeakPolarHBondContact O-CB 3.22Å; L33-F36 PolarHBondContact O-N 3.17Å; L33-W168 HydrophobicContact CD2-CH2 4.39Å; L33-W168 HydrophobicContact CD2-CZ3 4.38Å; L33-Y190 HydrophobicContact CD2-CD1 4.41Å; L33-L214 HydrophobicContact CD1-CD1 4.49Å; L33-L214 HydrophobicContact CD1-CD2 4.2Å; L33-L214 HydrophobicContact CD1-CG 4.36Å; L33-L214 HydrophobicContact CD2-CD1 4.23Å; L33-V218 HydrophobicContact CD1-CG2 4.34Å; L33-I238 HydrophobicContact CD1-CG2 3.74Å; L33-I238 HydrophobicContact CG-CG2 4.08Å; L33-T239 PolarHBondContact N-O 3.42Å; L33-S240 WeakPolarHBondContact O-CB 3.4Å; L33-S240 PolarHBondContact O-OG 3.07Å; L33-L352 HydrophobicContact CD1-CD2 4.45Å |
| 34 | D | 94.6 | Very high | 89.7 | Confident | 4 Ų | 4 | 27.7 Ų | 27.7 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 131.1 | -171.8 | -156 | -39.1 | 0 | 0 | 0 | 111.6 | F36 T76 Y189 Y190 E192 P193 D194 H242 | D34-F36 PolarHBondContact O-N 3.04Å; D34-F36 VanDerWaalsContact O-N 3.13Å; D34-T76 WeakPolarHBondContact OD2-CG2 3.42Å; D34-Y189 HydrophobicContact CB-CE2 3.74Å; D34-Y189 WeakPolarHBondContact OD2-CE2 3.19Å; D34-Y189 VanDerWaalsContact OD2-CZ 3.26Å; D34-Y189 PolarHBondContact OD2-OH 3.16Å; D34-Y190 WeakPolarHBondContact CB-O 3.3Å; D34-Y190 PolarHBondContact N-O 2.76Å; D34-E192 CarbonylContact O-C 3.53Å; D34-P193 WeakPolarHBondContact O-CD 3.46Å; D34-P193 VanDerWaalsContact O-N 3.16Å; D34-D194 HydrophobicContact CB-CB 3.86Å; D34-D194 WeakPolarHBondContact O-CB 3.1Å; D34-D194 PolarHBondContact O-N 3.28Å; D34-D194 WeakPolarHBondContact OD1-CB 3.42Å; D34-H242 IonicContact OD1-CE1 3.64Å; D34-H242 PolarHBondContact OD1-CE1 3.38Å; D34-H242 IonicContact OD1-NE2 2.85Å |
| 35 | G | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 14.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | L33 W37 S240 D241 H242 | L33-G35 PolarHBondContact O-N 3.47Å; G35-W37 PolarHBondContact O-N 2.85Å; G35-S240 PolarHBondContact N-OG 2.93Å; G35-D241 PolarHBondContact N-OD1 3.43Å; G35-H242 CarbonylContact C-O 3.57Å; G35-H242 WeakPolarHBondContact CA-O 3.2Å |
| 36 | F | 97.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -70.2 | 91.3 | 175 | -160 | -60.2 | 0 | 0 | 0 | 110.6 | L33 D34 Y38 Y40 V41 L44 I54 P193 L211 L214 S240 L352 | L33-F36 HydrophobicContact CB-CB 4.03Å; L33-F36 HydrophobicContact CB-CD2 4.19Å; L33-F36 HydrophobicContact CD1-CD2 3.86Å; L33-F36 HydrophobicContact CD1-CE2 4.23Å; L33-F36 WeakPolarHBondContact O-CB 3.22Å; L33-F36 PolarHBondContact O-N 3.17Å; D34-F36 PolarHBondContact O-N 3.04Å; D34-F36 VanDerWaalsContact O-N 3.13Å; F36-Y38 PolarHBondContact O-N 2.71Å; F36-Y40 AromaticContact CD1-CD2 3.97Å; F36-Y40 HydrophobicContact CD1-CD2 3.97Å; F36-Y40 HydrophobicContact CE1-CD2 4.28Å; F36-Y40 HydrophobicContact CE1-CG 4.43Å; F36-Y40 HydrophobicContact CG-CD2 4.2Å; F36-V41 HydrophobicContact CE1-CG2 4.21Å; F36-L44 HydrophobicContact CZ-CD1 4.1Å; F36-I54 HydrophobicContact CE2-CD1 4.1Å; F36-I54 HydrophobicContact CZ-CD1 4.26Å; F36-P193 HydrophobicContact CB-CG 4.02Å; F36-P193 HydrophobicContact CD2-CG 4.1Å; F36-P193 HydrophobicContact CG-CG 4.22Å; F36-L211 HydrophobicContact CE2-CD2 4.09Å; F36-L211 HydrophobicContact CZ-CD2 4.26Å; F36-L214 HydrophobicContact CD2-CD2 3.68Å; F36-L214 HydrophobicContact CE2-CD2 3.82Å; F36-S240 PolarHBondContact N-OG 3.07Å; F36-S240 WeakPolarHBondContact O-CB 3.41Å; F36-L352 HydrophobicContact CB-CB 4.36Å; F36-L352 HydrophobicContact CD1-CB 3.7Å; F36-L352 HydrophobicContact CD1-CD1 4.33Å; F36-L352 HydrophobicContact CD1-CD2 3.8Å; F36-L352 HydrophobicContact CD1-CG 4.15Å; F36-L352 HydrophobicContact CD2-CD2 4.23Å; F36-L352 HydrophobicContact CE1-CB 4.27Å; F36-L352 HydrophobicContact CE1-CD1 4.04Å; F36-L352 HydrophobicContact CE1-CD2 3.81Å; F36-L352 HydrophobicContact CE1-CG 4.26Å; F36-L352 HydrophobicContact CE2-CD2 4.26Å; F36-L352 HydrophobicContact CG-CB 4.22Å; F36-L352 HydrophobicContact CG-CD2 4.01Å; F36-L352 HydrophobicContact CZ-CD2 4.06Å; F36-L352 PolarHBondContact O-N 2.86Å; F36-L352 VanDerWaalsContact O-N 3.1Å | ||
| 37 | W | 97.2 | Very high | 94.9 | Very high | 39 Ų | 39 | 26.5 Ų | 26.5 | 15% | 0.148 | 14% | 0.141 | C | C | . | . | B | Isolated β-bridge | trans | -60.5 | 130.4 | 169.3 | 175.8 | 47.1 | 0 | 0 | 0 | 111 | G35 G39 Y40 H203 R347 R348 | G35-W37 PolarHBondContact O-N 2.85Å; W37-G39 PolarHBondContact O-N 3.04Å; W37-Y40 HydrophobicContact CB-CD2 4.1Å; W37-Y40 HydrophobicContact CB-CE1 4.43Å; W37-Y40 HydrophobicContact CB-CE2 3.92Å; W37-Y40 HydrophobicContact CB-CG 4.43Å; W37-Y40 AromaticContact CE3-CD1 3.71Å; W37-Y40 HydrophobicContact CE3-CD1 3.71Å; W37-Y40 AromaticContact CE3-CE1 3.66Å; W37-Y40 HydrophobicContact CE3-CE1 3.66Å; W37-Y40 HydrophobicContact CE3-CG 4.5Å; W37-Y40 HydrophobicContact CZ3-CD1 4.37Å; W37-Y40 HydrophobicContact CZ3-CE1 4.4Å; W37-Y40 VanDerWaalsContact O-CB 3.28Å; W37-Y40 WeakPolarHBondContact O-CB 3.48Å; W37-Y40 WeakPolarHBondContact O-CD2 3.33Å; W37-Y40 PolarHBondContact O-N 2.76Å; W37-H203 AromaticContact CZ3-CE1 3.87Å; W37-R347 PolarHBondContact NE1-O 3.4Å; W37-R348 VanDerWaalsContact CD1-O 3.31Å |
| 38 | Y | 94 | Very high | 95.1 | Very high | 24 Ų | 24 | 26.4 Ų | 26.4 | 9% | 0.094 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -34 | -175.1 | 84.9 | -83.7 | 0 | 0 | 0 | 114 | F36 Y40 V41 P65 D66 R347 R350 | F36-Y38 PolarHBondContact O-N 2.71Å; Y38-Y40 PolarHBondContact O-N 3.43Å; Y38-V41 WeakPolarHBondContact O-CG2 3.4Å; Y38-V41 PolarHBondContact O-N 3.22Å; Y38-P65 WeakPolarHBondContact CD2-O 3.49Å; Y38-P65 VanDerWaalsContact CE2-O 3.32Å; Y38-P65 WeakPolarHBondContact CE2-O 3.21Å; Y38-D66 VanDerWaalsContact CD2-C 3.45Å; Y38-R347 HydrophobicContact CE1-CB 4.29Å; Y38-R347 VanDerWaalsContact CE1-O 3.28Å; Y38-R347 WeakPolarHBondContact CE1-O 3.39Å; Y38-R350 HydrophobicContact CD1-CB 3.64Å; Y38-R350 HydrophobicContact CE1-CB 4.09Å; Y38-R350 PolarHBondContact N-O 3.08Å; Y38-R350 VanDerWaalsContact N-O 3.1Å |
| 39 | G | 95 | Very high | 95.2 | Very high | 6 Ų | 6 | 27.5 Ų | 27.5 | 6% | 0.062 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -9.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | W37 V41 D42 K43 | W37-G39 PolarHBondContact O-N 3.04Å; G39-V41 PolarHBondContact O-N 3.3Å; G39-D42 PolarHBondContact O-N 2.87Å; G39-K43 PolarHBondContact O-N 3.16Å |
| 40 | Y | 97.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.7 | -19.4 | 169 | -63.9 | -25.2 | 0 | 0 | 0 | 113.4 | F36 W37 Y38 K43 L44 P193 P202 M207 L211 | F36-Y40 AromaticContact CD1-CD2 3.97Å; F36-Y40 HydrophobicContact CD1-CD2 3.97Å; F36-Y40 HydrophobicContact CE1-CD2 4.28Å; F36-Y40 HydrophobicContact CE1-CG 4.43Å; F36-Y40 HydrophobicContact CG-CD2 4.2Å; W37-Y40 HydrophobicContact CB-CD2 4.1Å; W37-Y40 HydrophobicContact CB-CE1 4.43Å; W37-Y40 HydrophobicContact CB-CE2 3.92Å; W37-Y40 HydrophobicContact CB-CG 4.43Å; W37-Y40 AromaticContact CE3-CD1 3.71Å; W37-Y40 HydrophobicContact CE3-CD1 3.71Å; W37-Y40 AromaticContact CE3-CE1 3.66Å; W37-Y40 HydrophobicContact CE3-CE1 3.66Å; W37-Y40 HydrophobicContact CE3-CG 4.5Å; W37-Y40 HydrophobicContact CZ3-CD1 4.37Å; W37-Y40 HydrophobicContact CZ3-CE1 4.4Å; W37-Y40 VanDerWaalsContact O-CB 3.28Å; W37-Y40 WeakPolarHBondContact O-CB 3.48Å; W37-Y40 WeakPolarHBondContact O-CD2 3.33Å; W37-Y40 PolarHBondContact O-N 2.76Å; Y38-Y40 PolarHBondContact O-N 3.43Å; Y40-K43 HydrophobicContact CD1-CD 4.01Å; Y40-K43 PolarHBondContact O-N 3.5Å; Y40-L44 WeakPolarHBondContact O-CB 3.26Å; Y40-L44 WeakPolarHBondContact O-CG 3.03Å; Y40-L44 PolarHBondContact O-N 3.39Å; Y40-P193 HydrophobicContact CD2-CG 3.95Å; Y40-P193 HydrophobicContact CE2-CB 4.25Å; Y40-P193 HydrophobicContact CE2-CG 3.65Å; Y40-P202 HydrophobicContact CE1-CB 4.13Å; Y40-P202 WeakPolarHBondContact OH-CA 3.45Å; Y40-P202 WeakPolarHBondContact OH-CB 3.5Å; Y40-M207 HydrophobicContact CE1-CG 3.78Å; Y40-M207 HydrophobicContact CE1-SD 4.06Å; Y40-M207 HydrophobicContact CE2-CE 4.45Å; Y40-M207 HydrophobicContact CE2-SD 3.87Å; Y40-M207 VanDerWaalsContact CZ-SD 3.57Å; Y40-M207 WeakPolarHBondContact OH-CE 3.3Å; Y40-L211 HydrophobicContact CD1-CD1 3.76Å; Y40-L211 HydrophobicContact CD2-CD1 4.44Å; Y40-L211 HydrophobicContact CD2-CD2 3.8Å; Y40-L211 HydrophobicContact CE1-CD1 4.43Å; Y40-L211 HydrophobicContact CG-CD1 3.75Å; Y40-L211 HydrophobicContact CG-CD2 3.8Å; Y40-L211 HydrophobicContact CG-CG 4.37Å |
| 41 | V | 95.9 | Very high | 94.7 | Very high | 9 Ų | 9 | 43.8 Ų | 43.8 | 6% | 0.055 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.6 | -43.9 | 170.9 | -179.8 | 0 | 0 | 0 | 0 | 110.7 | F36 Y38 G39 K43 L44 K45 I54 V55 T58 F63 L352 | F36-V41 HydrophobicContact CE1-CG2 4.21Å; Y38-V41 WeakPolarHBondContact O-CG2 3.4Å; Y38-V41 PolarHBondContact O-N 3.22Å; G39-V41 PolarHBondContact O-N 3.3Å; V41-K43 VanDerWaalsContact C-N 3.33Å; V41-K43 PolarHBondContact O-N 2.95Å; V41-L44 PolarHBondContact O-N 2.94Å; V41-K45 WeakPolarHBondContact O-CB 2.9Å; V41-K45 PolarHBondContact O-N 3.1Å; V41-I54 HydrophobicContact CG2-CG2 4.47Å; V41-V55 HydrophobicContact CG1-CG2 4.49Å; V41-T58 HydrophobicContact CG1-CG2 4.24Å; V41-F63 HydrophobicContact CB-CZ 4.27Å; V41-F63 HydrophobicContact CG1-CZ 3.93Å; V41-F63 HydrophobicContact CG2-CE2 4.2Å; V41-F63 HydrophobicContact CG2-CZ 4.1Å; V41-L352 HydrophobicContact CG2-CD1 3.57Å |
| 42 | D | 94.1 | Very high | 94.8 | Very high | 98 Ų | 98 | 43.7 Ų | 43.7 | 52% | 0.524 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.2 | -37.9 | 175.1 | -66.8 | -41.6 | 0 | 0 | 0 | 111.5 | G39 K45 A46 | G39-D42 PolarHBondContact O-N 2.87Å; D42-K45 PolarHBondContact O-N 3.43Å; D42-A46 PolarHBondContact O-N 3.47Å |
| 43 | K | 95 | Very high | 94.9 | Very high | 37 Ų | 37 | 46 Ų | 46 | 16% | 0.161 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.5 | -47 | 170.3 | -76.6 | -163 | 166.1 | -162.2 | 0 | 112.3 | G39 Y40 V41 K45 A46 L47 P202 N208 L211 | G39-K43 PolarHBondContact O-N 3.16Å; Y40-K43 HydrophobicContact CD1-CD 4.01Å; Y40-K43 PolarHBondContact O-N 3.5Å; V41-K43 VanDerWaalsContact C-N 3.33Å; V41-K43 PolarHBondContact O-N 2.95Å; K43-K45 VanDerWaalsContact C-N 3.3Å; K43-K45 PolarHBondContact O-N 2.9Å; K43-A46 PolarHBondContact O-N 2.78Å; K43-A46 VanDerWaalsContact O-N 3.15Å; K43-L47 HydrophobicContact CB-CD1 4.4Å; K43-L47 WeakPolarHBondContact O-CB 3.36Å; K43-L47 WeakPolarHBondContact O-CD1 3.39Å; K43-L47 WeakPolarHBondContact O-CG 3.41Å; K43-L47 PolarHBondContact O-N 2.88Å; K43-P202 PolarHBondContact NZ-O 3.09Å; K43-N208 PolarHBondContact NZ-OD1 3.01Å; K43-L211 HydrophobicContact CB-CD1 4.1Å; K43-L211 HydrophobicContact CD-CD1 3.88Å |
| 44 | L | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.9 | -40.1 | 178.3 | -79.3 | 168 | 0 | 0 | 0 | 111.7 | F36 Y40 V41 A46 L47 L48 I54 V55 L211 D215 | F36-L44 HydrophobicContact CZ-CD1 4.1Å; Y40-L44 WeakPolarHBondContact O-CB 3.26Å; Y40-L44 WeakPolarHBondContact O-CG 3.03Å; Y40-L44 PolarHBondContact O-N 3.39Å; V41-L44 PolarHBondContact O-N 2.94Å; L44-A46 VanDerWaalsContact C-N 3.33Å; L44-A46 PolarHBondContact O-N 2.76Å; L44-L47 PolarHBondContact O-N 2.75Å; L44-L48 HydrophobicContact CD2-CD1 4.09Å; L44-L48 WeakPolarHBondContact O-CB 3.48Å; L44-L48 PolarHBondContact O-N 2.89Å; L44-I54 HydrophobicContact CD1-CB 4.04Å; L44-I54 HydrophobicContact CD1-CD1 3.72Å; L44-I54 HydrophobicContact CD1-CG1 4.43Å; L44-I54 HydrophobicContact CD1-CG2 4.12Å; L44-V55 HydrophobicContact CB-CG2 4.21Å; L44-L211 HydrophobicContact CD2-CB 3.94Å; L44-L211 WeakPolarHBondContact CD2-O 3.26Å; L44-L211 HydrophobicContact CG-CB 4.27Å; L44-D215 HydrophobicContact CD2-CB 3.92Å |
| 45 | K | 95.7 | Very high | 94.9 | Very high | 127 Ų | 127 | 46.1 Ų | 46.1 | 55% | 0.552 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -62.3 | -38.1 | 173.1 | -170.4 | 175.3 | 179.9 | 177.9 | 0 | 112.3 | V41 D42 K43 G49 V55 | V41-K45 WeakPolarHBondContact O-CB 2.9Å; V41-K45 PolarHBondContact O-N 3.1Å; D42-K45 PolarHBondContact O-N 3.43Å; K43-K45 VanDerWaalsContact C-N 3.3Å; K43-K45 PolarHBondContact O-N 2.9Å; K45-G49 WeakPolarHBondContact O-CA 3.42Å; K45-G49 PolarHBondContact O-N 2.67Å; K45-V55 HydrophobicContact CB-CG2 3.99Å |
| 46 | A | 95.3 | Very high | 94.9 | Very high | 89 Ų | 89 | 50.6 Ų | 50.6 | 74% | 0.736 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -72.4 | -36.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D42 K43 L44 | D42-A46 PolarHBondContact O-N 3.47Å; K43-A46 PolarHBondContact O-N 2.78Å; K43-A46 VanDerWaalsContact O-N 3.15Å; L44-A46 VanDerWaalsContact C-N 3.33Å; L44-A46 PolarHBondContact O-N 2.76Å |
| 47 | L | 94.1 | Very high | 94.7 | Very high | 57 Ų | 57 | 50.8 Ų | 50.8 | 30% | 0.298 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -82 | -29.7 | -175.3 | -70.8 | 166.1 | 0 | 0 | 0 | 114.1 | K43 L44 N208 | K43-L47 HydrophobicContact CB-CD1 4.4Å; K43-L47 WeakPolarHBondContact O-CB 3.36Å; K43-L47 WeakPolarHBondContact O-CD1 3.39Å; K43-L47 WeakPolarHBondContact O-CG 3.41Å; K43-L47 PolarHBondContact O-N 2.88Å; L44-L47 PolarHBondContact O-N 2.75Å; L47-N208 HydrophobicContact CD1-CB 3.71Å; L47-N208 HydrophobicContact CD2-CB 4.13Å |
| 48 | L | 95.2 | Very high | 94.4 | Very high | 47 Ų | 47 | 49.9 Ų | 49.9 | 25% | 0.246 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -135.4 | -8.9 | -170.9 | -62.2 | 175.8 | 0 | 0 | 0 | 113.6 | L44 R50 Q51 K212 D215 | L44-L48 HydrophobicContact CD2-CD1 4.09Å; L44-L48 WeakPolarHBondContact O-CB 3.48Å; L44-L48 PolarHBondContact O-N 2.89Å; L48-R50 PolarHBondContact O-N 3.12Å; L48-Q51 VanDerWaalsContact O-CB 3.26Å; L48-Q51 WeakPolarHBondContact O-CB 3.37Å; L48-Q51 PolarHBondContact O-N 3.4Å; L48-K212 HydrophobicContact CD1-CG 4.23Å; L48-K212 HydrophobicContact CD2-CG 4.21Å; L48-K212 HydrophobicContact CG-CG 4.31Å; L48-D215 HydrophobicContact CD1-CB 4.28Å |
| 49 | G | 92.4 | Very high | 94.1 | Very high | 28 Ų | 28 | 53.2 Ų | 53.2 | 29% | 0.289 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | 54.2 | -138.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K45 Q51 S52 | K45-G49 WeakPolarHBondContact O-CA 3.42Å; K45-G49 PolarHBondContact O-N 2.67Å; G49-Q51 PolarHBondContact O-N 3.14Å; G49-Q51 VanDerWaalsContact O-N 3.17Å; G49-S52 PolarHBondContact O-N 3.06Å |
| 50 | R | 86 | Confident | 93.7 | Very high | 202 Ų | 202 | 54.9 Ų | 54.9 | 76% | 0.762 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -69 | 0.7 | 173.4 | -77.3 | -174.8 | 174 | 162.4 | 1 | 114.5 | L48 K56 | L48-R50 PolarHBondContact O-N 3.12Å; R50-K56 WeakPolarHBondContact O-CE 3.46Å |
| 51 | Q | 91.3 | Very high | 93.3 | Very high | 150 Ų | 150 | 55 Ų | 55 | 70% | 0.701 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -80.9 | -29 | 175.1 | -56.5 | -173 | 4.1 | 0 | 0 | 112.1 | L48 G49 N53 K56 | L48-Q51 VanDerWaalsContact O-CB 3.26Å; L48-Q51 WeakPolarHBondContact O-CB 3.37Å; L48-Q51 PolarHBondContact O-N 3.4Å; G49-Q51 PolarHBondContact O-N 3.14Å; G49-Q51 VanDerWaalsContact O-N 3.17Å; Q51-N53 PolarHBondContact O-N 3.42Å; Q51-K56 WeakPolarHBondContact O-CE 3.35Å; Q51-K56 PolarHBondContact O-NZ 2.96Å; Q51-K56 VanDerWaalsContact O-NZ 3.08Å |
| 52 | S | 96.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -56.3 | 128.6 | 178.8 | 159.6 | 0 | 0 | 0 | 0 | 112.2 | G49 I54 V55 K56 D215 | G49-S52 PolarHBondContact O-N 3.06Å; S52-I54 PolarHBondContact OG-N 3.33Å; S52-V55 WeakPolarHBondContact OG-CB 3.17Å; S52-V55 WeakPolarHBondContact OG-CG2 3.48Å; S52-V55 PolarHBondContact OG-N 2.7Å; S52-K56 VanDerWaalsContact O-CG 3.27Å; S52-K56 WeakPolarHBondContact O-CG 3.48Å; S52-K56 PolarHBondContact O-N 3.35Å; S52-D215 WeakPolarHBondContact CA-OD1 3.43Å; S52-D215 WeakPolarHBondContact CA-OD2 2.97Å; S52-D215 VanDerWaalsContact CB-OD1 3.3Å; S52-D215 WeakPolarHBondContact CB-OD1 3.27Å; S52-D215 PolarHBondContact OG-OD1 2.96Å | ||
| 53 | N | 97.1 | Very high | 92.5 | Very high | 48 Ų | 48 | 51.5 Ų | 51.5 | 26% | 0.257 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.8 | -39.5 | 175.9 | -61.3 | -78.2 | 0 | 0 | 0 | 111.8 | Q51 L57 D215 G219 | Q51-N53 PolarHBondContact O-N 3.42Å; N53-L57 WeakPolarHBondContact O-CB 3.5Å; N53-L57 PolarHBondContact O-N 2.98Å; N53-D215 VanDerWaalsContact N-CG 3.26Å; N53-D215 PolarHBondContact N-OD1 2.89Å; N53-D215 PolarHBondContact N-OD2 2.87Å; N53-D215 PolarHBondContact ND2-O 2.79Å; N53-D215 PolarHBondContact ND2-OD2 3.46Å; N53-G219 VanDerWaalsContact CG-CA 3.47Å |
| 54 | I | 96.2 | Very high | 92.1 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.9 | -45.4 | 176 | -67.6 | 172 | 0 | 0 | 0 | 110 | F36 V41 L44 S52 L57 T58 D215 V218 I354 | F36-I54 HydrophobicContact CE2-CD1 4.1Å; F36-I54 HydrophobicContact CZ-CD1 4.26Å; V41-I54 HydrophobicContact CG2-CG2 4.47Å; L44-I54 HydrophobicContact CD1-CB 4.04Å; L44-I54 HydrophobicContact CD1-CD1 3.72Å; L44-I54 HydrophobicContact CD1-CG1 4.43Å; L44-I54 HydrophobicContact CD1-CG2 4.12Å; S52-I54 PolarHBondContact OG-N 3.33Å; I54-L57 WeakPolarHBondContact O-CB 3.33Å; I54-L57 PolarHBondContact O-N 2.96Å; I54-L57 VanDerWaalsContact O-N 3.15Å; I54-T58 WeakPolarHBondContact O-CG2 3Å; I54-T58 PolarHBondContact O-N 2.89Å; I54-D215 HydrophobicContact CD1-CB 4.28Å; I54-D215 PolarHBondContact N-OD1 2.96Å; I54-V218 HydrophobicContact CD1-CB 4.32Å; I54-V218 HydrophobicContact CD1-CG2 4.06Å; I54-V218 HydrophobicContact CG1-CB 3.9Å; I54-V218 HydrophobicContact CG1-CG1 3.91Å; I54-V218 HydrophobicContact CG1-CG2 4.09Å; I54-I354 HydrophobicContact CG2-CD1 3.98Å |
| 55 | V | 95.5 | Very high | 91.6 | Very high | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.03 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.7 | -48.8 | 177.1 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | V41 L44 K45 S52 L57 T58 E59 | V41-V55 HydrophobicContact CG1-CG2 4.49Å; L44-V55 HydrophobicContact CB-CG2 4.21Å; K45-V55 HydrophobicContact CB-CG2 3.99Å; S52-V55 WeakPolarHBondContact OG-CB 3.17Å; S52-V55 WeakPolarHBondContact OG-CG2 3.48Å; S52-V55 PolarHBondContact OG-N 2.7Å; V55-L57 PolarHBondContact O-N 3.26Å; V55-T58 PolarHBondContact O-N 3.32Å; V55-T58 PolarHBondContact O-OG1 3.47Å; V55-E59 PolarHBondContact O-N 3.35Å; V55-E59 VanDerWaalsContact O-N 3.1Å |
| 56 | K | 94.2 | Very high | 91.1 | Very high | 93 Ų | 93 | 48.5 Ų | 48.5 | 40% | 0.404 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -55.5 | -38.3 | 173.1 | -70.7 | 169 | -167.2 | 166.6 | 0 | 112.6 | R50 Q51 S52 E59 S60 | R50-K56 WeakPolarHBondContact O-CE 3.46Å; Q51-K56 WeakPolarHBondContact O-CE 3.35Å; Q51-K56 PolarHBondContact O-NZ 2.96Å; Q51-K56 VanDerWaalsContact O-NZ 3.08Å; S52-K56 VanDerWaalsContact O-CG 3.27Å; S52-K56 WeakPolarHBondContact O-CG 3.48Å; S52-K56 PolarHBondContact O-N 3.35Å; K56-E59 PolarHBondContact O-N 2.93Å; K56-S60 PolarHBondContact O-N 3.42Å; K56-S60 PolarHBondContact O-OG 2.92Å |
| 57 | L | 92.3 | Very high | 90.7 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.4 | -41.3 | 177.5 | -167.4 | 67.6 | 0 | 0 | 0 | 110.6 | N53 I54 V55 E59 S60 S61 V218 V222 I238 I354 H356 | N53-L57 WeakPolarHBondContact O-CB 3.5Å; N53-L57 PolarHBondContact O-N 2.98Å; I54-L57 WeakPolarHBondContact O-CB 3.33Å; I54-L57 PolarHBondContact O-N 2.96Å; I54-L57 VanDerWaalsContact O-N 3.15Å; V55-L57 PolarHBondContact O-N 3.26Å; L57-E59 VanDerWaalsContact C-N 3.3Å; L57-E59 PolarHBondContact O-N 2.99Å; L57-S60 PolarHBondContact O-N 2.86Å; L57-S60 PolarHBondContact O-OG 3.38Å; L57-S61 WeakPolarHBondContact O-CB 3.41Å; L57-S61 PolarHBondContact O-N 3.41Å; L57-S61 PolarHBondContact O-OG 3.35Å; L57-V218 HydrophobicContact CD2-CG1 4.46Å; L57-V222 HydrophobicContact CD1-CG2 4.39Å; L57-I238 HydrophobicContact CD2-CD1 3.67Å; L57-I354 HydrophobicContact CD2-CG2 4.03Å; L57-I354 HydrophobicContact CG-CG2 3.96Å; L57-H356 HydrophobicContact CD1-CB 4.09Å |
| 58 | T | 91.7 | Very high | 90.3 | Very high | 21 Ų | 21 | 42.9 Ų | 42.9 | 13% | 0.129 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.6 | -33.3 | 174.7 | 63.5 | 0 | 0 | 0 | 0 | 113.5 | V41 I54 V55 S60 F63 I354 | V41-T58 HydrophobicContact CG1-CG2 4.24Å; I54-T58 WeakPolarHBondContact O-CG2 3Å; I54-T58 PolarHBondContact O-N 2.89Å; V55-T58 PolarHBondContact O-N 3.32Å; V55-T58 PolarHBondContact O-OG1 3.47Å; T58-S60 VanDerWaalsContact C-N 3.29Å; T58-S60 PolarHBondContact O-N 2.96Å; T58-F63 HydrophobicContact CG2-CB 4.49Å; T58-F63 HydrophobicContact CG2-CD1 3.95Å; T58-F63 HydrophobicContact CG2-CD2 3.57Å; T58-F63 HydrophobicContact CG2-CE1 3.99Å; T58-F63 HydrophobicContact CG2-CE2 3.65Å; T58-F63 HydrophobicContact CG2-CG 3.75Å; T58-F63 HydrophobicContact CG2-CZ 3.86Å; T58-I354 HydrophobicContact CG2-CD1 3.69Å; T58-I354 HydrophobicContact CG2-CG1 4.03Å |
| 59 | E | 88.5 | Confident | 89.9 | Confident | 93 Ų | 93 | 44.5 Ų | 44.5 | 44% | 0.435 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -68.7 | -26 | 177.4 | -67.4 | 176.3 | 159.4 | 0 | 0 | 112.8 | V55 K56 L57 | V55-E59 PolarHBondContact O-N 3.35Å; V55-E59 VanDerWaalsContact O-N 3.1Å; K56-E59 PolarHBondContact O-N 2.93Å; L57-E59 VanDerWaalsContact C-N 3.3Å; L57-E59 PolarHBondContact O-N 2.99Å |
| 60 | S | 85.6 | Confident | 89.6 | Confident | 41 Ų | 41 | 43.2 Ų | 43.2 | 29% | 0.287 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112 | 10.4 | -172.8 | 56.9 | 0 | 0 | 0 | 0 | 115 | K56 L57 T58 H356 | K56-S60 PolarHBondContact O-N 3.42Å; K56-S60 PolarHBondContact O-OG 2.92Å; L57-S60 PolarHBondContact O-N 2.86Å; L57-S60 PolarHBondContact O-OG 3.38Å; T58-S60 VanDerWaalsContact C-N 3.29Å; T58-S60 PolarHBondContact O-N 2.96Å; S60-H356 PolarHBondContact O-CE1 3.42Å; S60-H356 PolarHBondContact O-ND1 3.17Å |
| 61 | S | 88.5 | Confident | 89.7 | Confident | 5 Ų | 5 | 33.8 Ų | 33.8 | 4% | 0.035 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -137.1 | 173.6 | -168.7 | -52.8 | 0 | 0 | 0 | 0 | 112.1 | L57 A355 H356 | L57-S61 WeakPolarHBondContact O-CB 3.41Å; L57-S61 PolarHBondContact O-N 3.41Å; L57-S61 PolarHBondContact O-OG 3.35Å; S61-A355 WeakPolarHBondContact CB-O 3.21Å; S61-H356 WeakPolarHBondContact OG-CB 2.78Å; S61-H356 PolarHBondContact OG-ND1 3.28Å |
| 62 | A | 85.8 | Confident | 89.8 | Confident | 7 Ų | 7 | 26.7 Ų | 26.7 | 6% | 0.058 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 131.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109 | I354 A355 F360 V366 | A62-I354 CarbonylContact O-C 3.55Å; A62-I354 WeakPolarHBondContact O-CA 3.32Å; A62-A355 HydrophobicContact CB-CB 4.39Å; A62-A355 PolarHBondContact N-O 3.24Å; A62-A355 PolarHBondContact O-N 3.09Å; A62-F360 HydrophobicContact CB-CB 4.26Å; A62-V366 HydrophobicContact CB-CG2 4.06Å |
| 63 | F | 87.7 | Confident | 89.6 | Confident | 25 Ų | 25 | 26.7 Ų | 26.7 | 11% | 0.11 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 145.4 | -172.2 | 173.7 | -129.1 | 0 | 0 | 0 | 111.4 | V41 T58 P65 L352 F353 I354 V364 V366 | V41-F63 HydrophobicContact CB-CZ 4.27Å; V41-F63 HydrophobicContact CG1-CZ 3.93Å; V41-F63 HydrophobicContact CG2-CE2 4.2Å; V41-F63 HydrophobicContact CG2-CZ 4.1Å; T58-F63 HydrophobicContact CG2-CB 4.49Å; T58-F63 HydrophobicContact CG2-CD1 3.95Å; T58-F63 HydrophobicContact CG2-CD2 3.57Å; T58-F63 HydrophobicContact CG2-CE1 3.99Å; T58-F63 HydrophobicContact CG2-CE2 3.65Å; T58-F63 HydrophobicContact CG2-CG 3.75Å; T58-F63 HydrophobicContact CG2-CZ 3.86Å; F63-P65 HydrophobicContact CD1-CB 4.13Å; F63-P65 HydrophobicContact CD1-CG 4.42Å; F63-P65 VanDerWaalsContact CE1-CA 3.48Å; F63-P65 HydrophobicContact CE1-CB 3.66Å; F63-P65 HydrophobicContact CE1-CG 4.43Å; F63-P65 HydrophobicContact CZ-CB 4.28Å; F63-P65 WeakPolarHBondContact O-CD 3.3Å; F63-L352 HydrophobicContact CE2-CD1 4.2Å; F63-F353 VanDerWaalsContact CD2-O 3.3Å; F63-F353 WeakPolarHBondContact CD2-O 3.32Å; F63-I354 HydrophobicContact CD2-CG1 3.91Å; F63-I354 HydrophobicContact CE2-CG1 4.35Å; F63-V364 PolarHBondContact N-O 3.43Å; F63-V366 PolarHBondContact O-N 2.81Å |
| 64 | A | 86.4 | Confident | 89.4 | Confident | 2 Ų | 2 | 24.4 Ų | 24.4 | 2% | 0.017 | 13% | 0.128 | C | C | . | . | trans | -105.5 | 89.6 | 172 | 0 | 0 | 0 | 0 | 0 | 110.9 | D66 G67 I68 F353 V366 T367 | A64-D66 VanDerWaalsContact C-N 3.28Å; A64-D66 PolarHBondContact O-N 2.77Å; A64-G67 WeakPolarHBondContact O-CA 3.03Å; A64-G67 PolarHBondContact O-N 3.3Å; A64-I68 HydrophobicContact CB-CG2 4.11Å; A64-F353 HydrophobicContact CB-CB 4.15Å; A64-F353 PolarHBondContact N-O 2.92Å; A64-V366 HydrophobicContact CB-CB 4.47Å; A64-T367 HydrophobicContact CB-CG2 4.46Å | ||
| 65 | P | 87 | Confident | 89.2 | Confident | 42 Ų | 42 | 24.7 Ų | 24.7 | 27% | 0.273 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -22.5 | -176.5 | 18.5 | -31.1 | 0 | 0 | 0 | 116.7 | Y38 F63 N365 T367 | Y38-P65 WeakPolarHBondContact CD2-O 3.49Å; Y38-P65 VanDerWaalsContact CE2-O 3.32Å; Y38-P65 WeakPolarHBondContact CE2-O 3.21Å; F63-P65 HydrophobicContact CD1-CB 4.13Å; F63-P65 HydrophobicContact CD1-CG 4.42Å; F63-P65 VanDerWaalsContact CE1-CA 3.48Å; F63-P65 HydrophobicContact CE1-CB 3.66Å; F63-P65 HydrophobicContact CE1-CG 4.43Å; F63-P65 HydrophobicContact CZ-CB 4.28Å; F63-P65 WeakPolarHBondContact O-CD 3.3Å; P65-N365 WeakPolarHBondContact CD-OD1 3.36Å; P65-N365 WeakPolarHBondContact CG-OD1 3.34Å; P65-T367 HydrophobicContact CB-CG2 4.48Å; P65-T367 VanDerWaalsContact CD-CG2 3.47Å; P65-T367 HydrophobicContact CG-CG2 3.69Å |
| 66 | D | 85.6 | Confident | 88.9 | Confident | 57 Ų | 57 | 26 Ų | 26 | 31% | 0.305 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 9.9 | 172.4 | -63.9 | -87.9 | 0 | 0 | 0 | 112.5 | Y38 A64 R347 R350 T367 | Y38-D66 VanDerWaalsContact CD2-C 3.45Å; A64-D66 VanDerWaalsContact C-N 3.28Å; A64-D66 PolarHBondContact O-N 2.77Å; D66-R347 IonicContact OD1-CZ 3.12Å; D66-R347 IonicContact OD1-NH1 3.85Å; D66-R347 PolarHBondContact OD1-NH1 2.94Å; D66-R350 WeakPolarHBondContact O-CD 3.26Å; D66-R350 PolarHBondContact O-NH1 3.05Å; D66-T367 HydrophobicContact CB-CG2 3.63Å; D66-T367 WeakPolarHBondContact OD2-CG2 3.3Å |
| 67 | G | 87 | Confident | 88.8 | Confident | 9 Ų | 9 | 23.9 Ų | 23.9 | 9% | 0.093 | 13% | 0.129 | C | C | . | . | trans | 68.3 | 171.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | A64 A351 | A64-G67 WeakPolarHBondContact O-CA 3.03Å; A64-G67 PolarHBondContact O-N 3.3Å; G67-A351 WeakPolarHBondContact CA-O 3.35Å | ||
| 68 | I | 85.5 | Confident | 88.7 | Confident | 19 Ų | 19 | 23.7 Ų | 23.7 | 10% | 0.097 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 147.1 | 170.3 | 61.6 | 174.4 | 0 | 0 | 0 | 110.2 | A64 R350 A351 F353 F370 T372 | A64-I68 HydrophobicContact CB-CG2 4.11Å; I68-R350 CarbonylContact O-C 3.44Å; I68-R350 VanDerWaalsContact O-CA 3.24Å; I68-R350 WeakPolarHBondContact O-CA 3.5Å; I68-R350 WeakPolarHBondContact O-CB 3.21Å; I68-A351 HydrophobicContact CD1-CB 4.49Å; I68-A351 HydrophobicContact CG1-CB 3.92Å; I68-A351 PolarHBondContact N-O 3.37Å; I68-A351 PolarHBondContact O-N 2.98Å; I68-F353 HydrophobicContact CD1-CB 4.13Å; I68-F353 HydrophobicContact CD1-CD2 4.06Å; I68-F353 HydrophobicContact CD1-CG 4.46Å; I68-F353 HydrophobicContact CG1-CB 4.29Å; I68-F353 HydrophobicContact CG2-CB 3.77Å; I68-F353 HydrophobicContact CG2-CG 4.25Å; I68-F370 HydrophobicContact CG2-CB 4.41Å; I68-T372 HydrophobicContact CD1-CG2 3.76Å; I68-T372 HydrophobicContact CG1-CG2 4.29Å |
| 69 | K | 86 | Confident | 88.7 | Confident | 81 Ų | 81 | 22.7 Ų | 22.7 | 35% | 0.352 | 12% | 0.122 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 123 | 175.4 | -58.1 | 176.2 | -178.8 | 173.8 | 0 | 109.8 | F370 A371 T372 | K69-F370 PolarHBondContact N-O 3.22Å; K69-A371 HydrophobicContact CB-CB 3.95Å; K69-A371 HydrophobicContact CD-CB 4.48Å; K69-A371 CarbonylContact O-C 3.55Å; K69-A371 WeakPolarHBondContact O-CA 3.5Å; K69-T372 PolarHBondContact O-N 2.91Å; K69-T372 PolarHBondContact O-OG1 2.89Å |
| 70 | S | 87.2 | Confident | 88.8 | Confident | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.007 | 10% | 0.102 | C | C | . | . | P | Polyproline II helix | trans | -66.4 | 164.8 | 169.7 | -57.9 | 0 | 0 | 0 | 0 | 112.4 | N79 D241 H242 N344 T372 | S70-N79 WeakPolarHBondContact CB-OD1 3.18Å; S70-D241 VanDerWaalsContact CB-O 3.22Å; S70-D241 WeakPolarHBondContact CB-O 3.4Å; S70-D241 PolarHBondContact OG-O 3.03Å; S70-H242 WeakPolarHBondContact OG-CA 3.43Å; S70-N344 WeakPolarHBondContact O-CB 3.37Å; S70-N344 PolarHBondContact O-ND2 3.35Å; S70-N344 VanDerWaalsContact O-ND2 3.09Å; S70-T372 VanDerWaalsContact C-OG1 3.22Å; S70-T372 VanDerWaalsContact CA-OG1 3.3Å; S70-T372 WeakPolarHBondContact CA-OG1 3.48Å |
| 71 | N | 88.9 | Confident | 89 | Confident | 4 Ų | 4 | 16.5 Ų | 16.5 | 2% | 0.021 | 9% | 0.088 | C | C | . | . | P | Polyproline II helix | trans | -75.6 | 148.5 | 171 | -76.1 | 9.7 | 0 | 0 | 0 | 109.6 | P73 T74 N79 T82 V89 T372 S373 | N71-P73 CarbonylContact O-C 3.56Å; N71-P73 VanDerWaalsContact O-O 3.06Å; N71-T74 WeakPolarHBondContact O-CG2 3.21Å; N71-T74 PolarHBondContact O-N 2.93Å; N71-N79 PolarHBondContact N-OD1 2.98Å; N71-N79 PolarHBondContact O-ND2 3.34Å; N71-N79 PolarHBondContact O-OD1 3.04Å; N71-T82 HydrophobicContact CB-CG2 4.45Å; N71-T82 WeakPolarHBondContact ND2-CG2 3.45Å; N71-T82 PolarHBondContact ND2-OG1 2.68Å; N71-V89 HydrophobicContact CB-CG2 3.87Å; N71-T372 PolarHBondContact N-OG1 2.75Å; N71-T372 PolarHBondContact OD1-OG1 2.99Å; N71-S373 PolarHBondContact OD1-N 2.95Å |
| 72 | Y | 92.3 | Very high | 89 | Confident | 1 Ų | 1 | 16.3 Ų | 16.3 | 0% | 0.004 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -82.9 | 137.2 | 173.4 | -178.8 | -93.4 | 0 | 0 | 0 | 110.4 | V89 Y269 W307 F309 L319 T321 | Y72-V89 WeakPolarHBondContact O-CG2 3.42Å; Y72-Y269 VanDerWaalsContact OH-CB 3.29Å; Y72-Y269 WeakPolarHBondContact OH-CB 3.48Å; Y72-W307 HydrophobicContact CD1-CB 4.26Å; Y72-W307 HydrophobicContact CD1-CD2 4.05Å; Y72-W307 AromaticContact CD1-CE3 3.69Å; Y72-W307 HydrophobicContact CD1-CE3 3.69Å; Y72-W307 HydrophobicContact CD1-CG 4.33Å; Y72-W307 HydrophobicContact CD1-CZ3 4.39Å; Y72-W307 HydrophobicContact CD2-CD2 4.2Å; Y72-W307 HydrophobicContact CD2-CE3 4.25Å; Y72-W307 HydrophobicContact CE1-CD2 4.48Å; Y72-W307 AromaticContact CE1-CE3 3.72Å; Y72-W307 HydrophobicContact CE1-CE3 3.72Å; Y72-W307 HydrophobicContact CE1-CZ3 4Å; Y72-W307 HydrophobicContact CE2-CE3 4.28Å; Y72-W307 HydrophobicContact CE2-CH2 4.4Å; Y72-W307 HydrophobicContact CE2-CZ3 4.17Å; Y72-W307 HydrophobicContact CG-CB 4.27Å; Y72-W307 AromaticContact CG-CD2 3.9Å; Y72-W307 HydrophobicContact CG-CD2 3.9Å; Y72-W307 AromaticContact CG-CE3 3.96Å; Y72-W307 HydrophobicContact CG-CE3 3.96Å; Y72-W307 HydrophobicContact CG-CG 4.05Å; Y72-W307 AromaticContact CZ-CZ3 3.88Å; Y72-F309 HydrophobicContact CD1-CB 3.75Å; Y72-F309 AromaticContact CD1-CD1 3.85Å; Y72-F309 HydrophobicContact CD1-CD1 3.85Å; Y72-F309 HydrophobicContact CD1-CD2 4.13Å; Y72-F309 AromaticContact CD1-CG 3.63Å; Y72-F309 HydrophobicContact CD1-CG 3.63Å; Y72-F309 HydrophobicContact CE1-CB 4.39Å; Y72-F309 AromaticContact CE1-CD1 3.63Å; Y72-F309 HydrophobicContact CE1-CD1 3.63Å; Y72-F309 AromaticContact CE1-CE1 4Å; Y72-F309 HydrophobicContact CE1-CE1 4Å; Y72-F309 AromaticContact CE1-CG 3.93Å; Y72-F309 HydrophobicContact CE1-CG 3.93Å; Y72-F309 WeakPolarHBondContact O-CD2 3.41Å; Y72-L319 HydrophobicContact CE1-CD2 4.06Å; Y72-T321 VanDerWaalsContact OH-CG2 3.22Å; Y72-T321 WeakPolarHBondContact OH-CG2 3.41Å |
| 73 | P | 93.8 | Very high | 89 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.089 | C | C | . | . | S | Bend | cis | -75.3 | 146.5 | -7.1 | 29.8 | -32.5 | 0 | 0 | 0 | 111.9 | N71 V75 N79 V95 Y269 F309 | N71-P73 CarbonylContact O-C 3.56Å; N71-P73 VanDerWaalsContact O-O 3.06Å; P73-V75 HydrophobicContact CB-CG2 3.99Å; P73-V75 HydrophobicContact CG-CG2 3.79Å; P73-V75 WeakPolarHBondContact O-CG2 3.03Å; P73-V75 PolarHBondContact O-N 3.42Å; P73-N79 PolarHBondContact O-ND2 3.11Å; P73-V95 WeakPolarHBondContact CG-O 3.38Å; P73-Y269 HydrophobicContact CB-CD1 3.74Å; P73-Y269 HydrophobicContact CB-CD2 4.48Å; P73-Y269 HydrophobicContact CB-CE1 3.39Å; P73-Y269 HydrophobicContact CB-CE2 4.15Å; P73-Y269 HydrophobicContact CB-CG 4.29Å; P73-Y269 HydrophobicContact CG-CD1 4.43Å; P73-Y269 HydrophobicContact CG-CE1 3.72Å; P73-Y269 HydrophobicContact CG-CE2 3.86Å; P73-Y269 VanDerWaalsContact CG-OH 3.26Å; P73-Y269 WeakPolarHBondContact CG-OH 3.18Å; P73-F309 HydrophobicContact CG-CE2 4.23Å; P73-F309 HydrophobicContact CG-CZ 4.49Å |
| 74 | T | 92.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -80.4 | 61.2 | -171.7 | 53.9 | 0 | 0 | 0 | 0 | 112.4 | N71 H242 H340 G341 Y342 N344 M349 | N71-T74 WeakPolarHBondContact O-CG2 3.21Å; N71-T74 PolarHBondContact O-N 2.93Å; T74-H242 WeakPolarHBondContact O-CB 3.44Å; T74-H242 PolarHBondContact O-CD2 3.36Å; T74-H340 PolarHBondContact O-ND1 3.44Å; T74-G341 WeakPolarHBondContact O-CA 3.46Å; T74-G341 PolarHBondContact O-N 3.37Å; T74-G341 VanDerWaalsContact OG1-CA 3.23Å; T74-G341 WeakPolarHBondContact OG1-CA 3.47Å; T74-G341 PolarHBondContact OG1-N 2.81Å; T74-Y342 WeakPolarHBondContact CG2-O 3.49Å; T74-Y342 PolarHBondContact OG1-N 2.83Å; T74-Y342 PolarHBondContact OG1-O 2.97Å; T74-N344 HydrophobicContact CG2-CB 3.93Å; T74-M349 HydrophobicContact CG2-CB 4.07Å; T74-M349 HydrophobicContact CG2-CG 4.5Å; T74-M349 PolarHBondContact OG1-SD 3.02Å | ||
| 75 | V | 91.6 | Very high | 88.8 | Confident | 9 Ų | 9 | 16.9 Ų | 16.9 | 6% | 0.055 | 9% | 0.09 | C | C | . | . | trans | -126.2 | 155.8 | -175.8 | -77.1 | 0 | 0 | 0 | 0 | 112 | P73 F77 P78 N79 H242 H266 Y269 | P73-V75 HydrophobicContact CB-CG2 3.99Å; P73-V75 HydrophobicContact CG-CG2 3.79Å; P73-V75 WeakPolarHBondContact O-CG2 3.03Å; P73-V75 PolarHBondContact O-N 3.42Å; V75-F77 PolarHBondContact O-N 2.87Å; V75-P78 HydrophobicContact CG2-CB 4.4Å; V75-P78 HydrophobicContact CG2-CG 3.59Å; V75-P78 WeakPolarHBondContact O-CD 3.38Å; V75-N79 PolarHBondContact N-ND2 3.08Å; V75-N79 PolarHBondContact O-N 2.85Å; V75-N79 PolarHBondContact O-ND2 3.13Å; V75-H242 VanDerWaalsContact C-CD2 3.45Å; V75-H266 WeakPolarHBondContact CG1-NE2 3.32Å; V75-Y269 HydrophobicContact CG1-CE1 4.35Å; V75-Y269 HydrophobicContact CG2-CE1 4.45Å | ||
| 76 | T | 89.6 | Confident | 88.4 | Confident | 32 Ų | 32 | 16.5 Ų | 16.5 | 20% | 0.196 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -53.3 | -58.6 | -168 | -37.8 | 0 | 0 | 0 | 0 | 114.7 | D34 N79 H80 D241 H242 | D34-T76 WeakPolarHBondContact OD2-CG2 3.42Å; T76-N79 PolarHBondContact O-N 3.23Å; T76-H80 WeakPolarHBondContact O-CB 3.16Å; T76-H80 PolarHBondContact O-N 2.76Å; T76-H80 PolarHBondContact O-ND1 2.81Å; T76-D241 WeakPolarHBondContact CA-OD2 3.29Å; T76-D241 VanDerWaalsContact CG2-OD2 3.26Å; T76-D241 WeakPolarHBondContact CG2-OD2 3.41Å; T76-H242 PolarHBondContact N-CD2 3.29Å; T76-H242 PolarHBondContact N-NE2 3.22Å; T76-H242 PolarHBondContact OG1-NE2 3.46Å; T76-H242 VanDerWaalsContact OG1-NE2 3.17Å |
| 77 | F | 90.8 | Very high | 88.3 | Confident | 48 Ų | 48 | 17.2 Ų | 17.2 | 21% | 0.211 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.9 | -49.9 | -173.4 | -69.9 | -87.8 | 0 | 0 | 0 | 113.2 | V75 N79 I81 K97 F110 A111 L145 | V75-F77 PolarHBondContact O-N 2.87Å; F77-N79 PolarHBondContact O-N 3.34Å; F77-I81 VanDerWaalsContact O-CG1 3.27Å; F77-I81 WeakPolarHBondContact O-CG1 3.32Å; F77-I81 PolarHBondContact O-N 3.33Å; F77-I81 VanDerWaalsContact O-N 3.14Å; F77-K97 HydrophobicContact CD2-CB 4.45Å; F77-K97 HydrophobicContact CD2-CG 4.29Å; F77-K97 HydrophobicContact CE2-CD 4.38Å; F77-K97 HydrophobicContact CE2-CG 4.21Å; F77-F110 HydrophobicContact CB-CD1 4.12Å; F77-F110 HydrophobicContact CB-CE1 4.49Å; F77-F110 AromaticContact CD1-CD1 3.58Å; F77-F110 HydrophobicContact CD1-CD1 3.58Å; F77-F110 AromaticContact CD1-CE1 3.95Å; F77-F110 HydrophobicContact CD1-CE1 3.95Å; F77-F110 HydrophobicContact CE1-CD1 4.31Å; F77-F110 HydrophobicContact CG-CD1 4.1Å; F77-A111 HydrophobicContact CE1-CB 4.09Å; F77-A111 HydrophobicContact CE2-CB 4.15Å; F77-A111 HydrophobicContact CZ-CB 3.57Å; F77-L145 HydrophobicContact CD1-CD1 3.79Å; F77-L145 HydrophobicContact CD1-CD2 3.63Å; F77-L145 HydrophobicContact CD1-CG 4.37Å; F77-L145 HydrophobicContact CE1-CD1 3.71Å; F77-L145 HydrophobicContact CE1-CD2 4.34Å; F77-L145 HydrophobicContact CG-CD2 4.45Å |
| 78 | P | 91.4 | Very high | 88.4 | Confident | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -57.6 | -44.8 | 175 | -27 | 36.6 | 0 | 0 | 0 | 113.4 | V75 I81 T82 V89 H92 I94 | V75-P78 HydrophobicContact CG2-CB 4.4Å; V75-P78 HydrophobicContact CG2-CG 3.59Å; V75-P78 WeakPolarHBondContact O-CD 3.38Å; P78-I81 PolarHBondContact O-N 3.47Å; P78-T82 WeakPolarHBondContact O-CB 3.29Å; P78-T82 PolarHBondContact O-N 3.47Å; P78-T82 PolarHBondContact O-OG1 3Å; P78-V89 HydrophobicContact CB-CG1 4.34Å; P78-V89 HydrophobicContact CB-CG2 3.81Å; P78-H92 PolarHBondContact O-CE1 2.79Å; P78-H92 PolarHBondContact O-NE2 3.08Å; P78-I94 VanDerWaalsContact CB-O 3.28Å; P78-I94 WeakPolarHBondContact CB-O 3.25Å; P78-I94 VanDerWaalsContact CG-O 3.23Å; P78-I94 WeakPolarHBondContact CG-O 3.39Å |
| 79 | N | 92 | Very high | 88.7 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -73.4 | -40.1 | -176.2 | -76.5 | -80.5 | 0 | 0 | 0 | 112.9 | S70 N71 P73 V75 T76 F77 I81 T82 M83 D241 | S70-N79 WeakPolarHBondContact CB-OD1 3.18Å; N71-N79 PolarHBondContact N-OD1 2.98Å; N71-N79 PolarHBondContact O-ND2 3.34Å; N71-N79 PolarHBondContact O-OD1 3.04Å; P73-N79 PolarHBondContact O-ND2 3.11Å; V75-N79 PolarHBondContact N-ND2 3.08Å; V75-N79 PolarHBondContact O-N 2.85Å; V75-N79 PolarHBondContact O-ND2 3.13Å; T76-N79 PolarHBondContact O-N 3.23Å; F77-N79 PolarHBondContact O-N 3.34Å; N79-I81 VanDerWaalsContact C-N 3.28Å; N79-I81 PolarHBondContact O-N 3.1Å; N79-T82 WeakPolarHBondContact O-CB 3.46Å; N79-T82 PolarHBondContact O-N 3.34Å; N79-M83 VanDerWaalsContact O-CG 3.23Å; N79-M83 WeakPolarHBondContact O-CG 3.48Å; N79-M83 PolarHBondContact O-N 3.37Å; N79-D241 HydrophobicContact CB-CB 3.86Å; N79-D241 WeakPolarHBondContact CB-O 3.42Å |
| 80 | H | 89.6 | Confident | 89 | Confident | 4 Ų | 4 | 15.3 Ų | 15.3 | 2% | 0.019 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.7 | -32.9 | 172.7 | -85.5 | 95 | 0 | 0 | 0 | 113 | S32 T76 I84 W144 L145 Y189 D241 | S32-H80 WeakPolarHBondContact CB-NE2 3.16Å; S32-H80 PolarHBondContact OG-CE1 2.94Å; S32-H80 PolarHBondContact OG-NE2 2.89Å; T76-H80 WeakPolarHBondContact O-CB 3.16Å; T76-H80 PolarHBondContact O-N 2.76Å; T76-H80 PolarHBondContact O-ND1 2.81Å; H80-I84 WeakPolarHBondContact O-CG1 3.45Å; H80-I84 PolarHBondContact O-N 2.98Å; H80-W144 AromaticContact CD2-CE2 3.86Å; H80-W144 AromaticContact CD2-CZ2 3.78Å; H80-L145 HydrophobicContact CB-CD2 4.03Å; H80-Y189 AromaticContact CE1-CD2 3.67Å; H80-Y189 AromaticContact CE1-CE2 3.63Å; H80-Y189 AromaticContact NE2-CD2 3.36Å; H80-Y189 WeakPolarHBondContact NE2-CD2 3.3Å; H80-Y189 AromaticContact NE2-CE2 3.83Å; H80-D241 VanDerWaalsContact CE1-CG 3.42Å; H80-D241 IonicContact CE1-OD2 2.68Å; H80-D241 PolarHBondContact CE1-OD2 2.91Å; H80-D241 IonicContact ND1-OD2 3.25Å; H80-D241 PolarHBondContact ND1-OD2 2.66Å |
| 81 | I | 90.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -72.6 | -43 | 172.5 | -64.6 | -65.1 | 0 | 0 | 0 | 111 | F77 P78 N79 M83 I84 T85 H92 I94 F110 M117 W118 V121 L145 | F77-I81 VanDerWaalsContact O-CG1 3.27Å; F77-I81 WeakPolarHBondContact O-CG1 3.32Å; F77-I81 PolarHBondContact O-N 3.33Å; F77-I81 VanDerWaalsContact O-N 3.14Å; P78-I81 PolarHBondContact O-N 3.47Å; N79-I81 VanDerWaalsContact C-N 3.28Å; N79-I81 PolarHBondContact O-N 3.1Å; I81-M83 VanDerWaalsContact C-N 3.34Å; I81-M83 PolarHBondContact O-N 2.88Å; I81-I84 HydrophobicContact CD1-CD1 4.35Å; I81-I84 PolarHBondContact O-N 3.26Å; I81-T85 HydrophobicContact CG2-CG2 4.14Å; I81-T85 WeakPolarHBondContact O-CB 3.49Å; I81-T85 WeakPolarHBondContact O-CG2 3.37Å; I81-T85 PolarHBondContact O-N 3.31Å; I81-T85 PolarHBondContact O-OG1 2.99Å; I81-H92 HydrophobicContact CG2-CB 4.02Å; I81-H92 WeakPolarHBondContact CG2-ND1 3.33Å; I81-I94 HydrophobicContact CG1-CG1 4.47Å; I81-I94 HydrophobicContact CG2-CG1 4.44Å; I81-F110 HydrophobicContact CD1-CE1 4.38Å; I81-F110 HydrophobicContact CD1-CZ 4.2Å; I81-F110 HydrophobicContact CG1-CE1 4.26Å; I81-F110 HydrophobicContact CG1-CZ 4.28Å; I81-M117 HydrophobicContact CD1-CE 3.92Å; I81-W118 HydrophobicContact CD1-CH2 4.34Å; I81-V121 HydrophobicContact CD1-CG2 4.35Å; I81-V121 HydrophobicContact CG2-CG1 3.67Å; I81-L145 HydrophobicContact CD1-CD2 3.92Å; I81-L145 HydrophobicContact CD1-CG 4.33Å; I81-L145 HydrophobicContact CG1-CD2 3.99Å |
| 82 | T | 87.8 | Confident | 89.5 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -50.6 | -53.9 | 170.5 | -74.3 | 0 | 0 | 0 | 0 | 110.4 | N71 P78 N79 I84 T85 G86 K87 H92 | N71-T82 HydrophobicContact CB-CG2 4.45Å; N71-T82 WeakPolarHBondContact ND2-CG2 3.45Å; N71-T82 PolarHBondContact ND2-OG1 2.68Å; P78-T82 WeakPolarHBondContact O-CB 3.29Å; P78-T82 PolarHBondContact O-N 3.47Å; P78-T82 PolarHBondContact O-OG1 3Å; N79-T82 WeakPolarHBondContact O-CB 3.46Å; N79-T82 PolarHBondContact O-N 3.34Å; T82-I84 VanDerWaalsContact C-N 3.29Å; T82-I84 PolarHBondContact O-N 2.87Å; T82-T85 PolarHBondContact O-N 2.82Å; T82-T85 VanDerWaalsContact O-N 3.12Å; T82-G86 PolarHBondContact O-N 2.83Å; T82-K87 PolarHBondContact OG1-O 3.02Å; T82-H92 PolarHBondContact OG1-NE2 3.38Å |
| 83 | M | 86.8 | Confident | 89.5 | Confident | 22 Ų | 22 | 18.3 Ų | 18.3 | 11% | 0.108 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -57.6 | -36.5 | -175.2 | -72.6 | 164.3 | 65.5 | 0 | 0 | 113.6 | N79 I81 W144 T239 D241 | N79-M83 VanDerWaalsContact O-CG 3.23Å; N79-M83 WeakPolarHBondContact O-CG 3.48Å; N79-M83 PolarHBondContact O-N 3.37Å; I81-M83 VanDerWaalsContact C-N 3.34Å; I81-M83 PolarHBondContact O-N 2.88Å; M83-W144 HydrophobicContact CE-CH2 3.72Å; M83-W144 HydrophobicContact CE-CZ2 3.95Å; M83-T239 HydrophobicContact CE-CG2 3.51Å; M83-D241 HydrophobicContact SD-CB 4.09Å |
| 84 | I | 85.2 | Confident | 89.5 | Confident | 3 Ų | 3 | 18.3 Ų | 18.3 | 2% | 0.015 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -93.1 | -13.2 | 179.4 | 67.6 | -174.4 | 0 | 0 | 0 | 114 | H80 I81 T82 W118 P125 V126 W144 L187 | H80-I84 WeakPolarHBondContact O-CG1 3.45Å; H80-I84 PolarHBondContact O-N 2.98Å; I81-I84 HydrophobicContact CD1-CD1 4.35Å; I81-I84 PolarHBondContact O-N 3.26Å; T82-I84 VanDerWaalsContact C-N 3.29Å; T82-I84 PolarHBondContact O-N 2.87Å; I84-W118 HydrophobicContact CD1-CH2 3.93Å; I84-P125 HydrophobicContact CB-CB 4.41Å; I84-P125 HydrophobicContact CD1-CB 4.03Å; I84-P125 HydrophobicContact CG1-CB 4.1Å; I84-P125 CarbonylContact O-C 3.57Å; I84-P125 VanDerWaalsContact O-CA 3.27Å; I84-P125 WeakPolarHBondContact O-CA 3.25Å; I84-V126 HydrophobicContact CB-CG1 4.15Å; I84-V126 HydrophobicContact CG2-CG1 4.36Å; I84-V126 PolarHBondContact O-N 2.79Å; I84-W144 HydrophobicContact CG2-CZ2 3.79Å; I84-W144 VanDerWaalsContact CG2-NE1 3.3Å; I84-L187 HydrophobicContact CG2-CD2 4.26Å |
| 85 | T | 83.4 | Confident | 89.5 | Confident | 21 Ų | 21 | 18.3 Ų | 18.3 | 13% | 0.129 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -109.5 | -12.7 | 179.9 | 59 | 0 | 0 | 0 | 0 | 114.1 | I81 T82 K87 V121 | I81-T85 HydrophobicContact CG2-CG2 4.14Å; I81-T85 WeakPolarHBondContact O-CB 3.49Å; I81-T85 WeakPolarHBondContact O-CG2 3.37Å; I81-T85 PolarHBondContact O-N 3.31Å; I81-T85 PolarHBondContact O-OG1 2.99Å; T82-T85 PolarHBondContact O-N 2.82Å; T82-T85 VanDerWaalsContact O-N 3.12Å; T85-K87 PolarHBondContact O-N 2.96Å; T85-V121 HydrophobicContact CG2-CG1 4.4Å |
| 86 | G | 79.1 | Confident | 89.4 | Confident | 34 Ų | 34 | 18.1 Ų | 18.1 | 35% | 0.351 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 19.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114 | T82 | T82-G86 PolarHBondContact O-N 2.83Š|
| 87 | K | 84.5 | Confident | 89.1 | Confident | 73 Ų | 73 | 22.3 Ų | 22.3 | 32% | 0.317 | 11% | 0.113 | S | C | . | . | trans | -113.3 | 153.4 | -171.7 | -85.3 | -178.6 | 164.8 | -66.9 | 0 | 112.4 | T82 T85 D91 H92 N122 | T82-K87 PolarHBondContact OG1-O 3.02Å; T85-K87 PolarHBondContact O-N 2.96Å; K87-D91 HydrophobicContact CB-CB 3.86Å; K87-D91 HydrophobicContact CD-CB 4.04Å; K87-D91 HydrophobicContact CG-CB 4.01Å; K87-H92 HydrophobicContact CB-CB 4.12Å; K87-H92 HydrophobicContact CD-CB 4.44Å; K87-H92 PolarHBondContact O-CD2 2.55Å; K87-N122 WeakPolarHBondContact CD-O 3.37Å; K87-N122 WeakPolarHBondContact CE-O 3.41Å | ||
| 88 | Y | 88.2 | Confident | 89 | Confident | 50 Ų | 50 | 24.8 Ų | 24.8 | 20% | 0.196 | 13% | 0.125 | C | C | . | . | trans | -68.7 | 162 | 168.8 | -72.9 | -74.9 | 0 | 0 | 0 | 112.1 | E90 D91 H92 H308 S373 | Y88-E90 VanDerWaalsContact C-N 3.26Å; Y88-E90 PolarHBondContact O-N 2.91Å; Y88-D91 WeakPolarHBondContact CB-OD2 3.41Å; Y88-D91 PolarHBondContact N-OD2 3.03Å; Y88-D91 WeakPolarHBondContact O-CB 3.28Å; Y88-D91 PolarHBondContact O-N 2.85Å; Y88-H92 PolarHBondContact O-CD2 2.83Å; Y88-H92 PolarHBondContact O-N 3.42Å; Y88-H308 HydrophobicContact CD1-CB 3.16Å; Y88-H308 AromaticContact CD1-CD2 3.77Å; Y88-H308 AromaticContact CD1-CG 3.41Å; Y88-H308 VanDerWaalsContact CD1-CG 3.41Å; Y88-H308 HydrophobicContact CD2-CB 4.23Å; Y88-H308 AromaticContact CD2-CG 3.99Å; Y88-H308 AromaticContact CD2-ND1 3.89Å; Y88-H308 HydrophobicContact CE1-CB 3.62Å; Y88-H308 AromaticContact CE1-CD2 3.18Å; Y88-H308 WeakPolarHBondContact CE1-CD2 3.38Å; Y88-H308 AromaticContact CE1-CG 3.33Å; Y88-H308 AromaticContact CE1-NE2 3.86Å; Y88-H308 AromaticContact CE2-CE1 3.9Å; Y88-H308 AromaticContact CE2-CG 3.97Å; Y88-H308 AromaticContact CE2-ND1 3.84Å; Y88-H308 HydrophobicContact CG-CB 3.49Å; Y88-H308 VanDerWaalsContact CG-CB 3.49Å; Y88-H308 AromaticContact CG-CG 3.72Å; Y88-H308 AromaticContact CZ-CD2 3.42Å; Y88-H308 VanDerWaalsContact CZ-CD2 3.42Å; Y88-H308 AromaticContact CZ-CE1 3.84Å; Y88-H308 AromaticContact CZ-CG 3.65Å; Y88-H308 AromaticContact CZ-ND1 3.92Å; Y88-H308 AromaticContact CZ-NE2 3.56Å; Y88-S373 WeakPolarHBondContact CE1-OG 3.3Å; Y88-S373 VanDerWaalsContact CZ-OG 3.28Å; Y88-S373 WeakPolarHBondContact OH-CB 3.44Å; Y88-S373 PolarHBondContact OH-OG 3.06Å | ||
| 89 | V | 90.8 | Very high | 88.9 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.006 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.5 | -35.8 | 178.4 | 173.2 | 0 | 0 | 0 | 0 | 111.7 | N71 Y72 P78 G93 I94 V95 F309 | N71-V89 HydrophobicContact CB-CG2 3.87Å; Y72-V89 WeakPolarHBondContact O-CG2 3.42Å; P78-V89 HydrophobicContact CB-CG1 4.34Å; P78-V89 HydrophobicContact CB-CG2 3.81Å; V89-G93 WeakPolarHBondContact O-CA 3.38Å; V89-G93 PolarHBondContact O-N 2.94Å; V89-I94 WeakPolarHBondContact CG1-O 3.47Å; V89-V95 HydrophobicContact CG1-CB 4.39Å; V89-V95 HydrophobicContact CG1-CG1 4.22Å; V89-F309 HydrophobicContact CB-CD2 4.24Å; V89-F309 HydrophobicContact CG1-CD2 3.72Å; V89-F309 HydrophobicContact CG1-CE2 3.66Å |
| 90 | E | 93.3 | Very high | 88.9 | Confident | 18 Ų | 18 | 26.7 Ų | 26.7 | 8% | 0.084 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69 | -30.2 | 172.1 | 68.4 | -167.8 | 170.5 | 0 | 0 | 113.7 | Y88 H308 F309 K310 L311 N312 I315 | Y88-E90 VanDerWaalsContact C-N 3.26Å; Y88-E90 PolarHBondContact O-N 2.91Å; E90-H308 WeakPolarHBondContact CB-O 3.45Å; E90-H308 VanDerWaalsContact CD-O 3.22Å; E90-H308 HydrophobicContact CG-CB 4.44Å; E90-H308 WeakPolarHBondContact CG-O 3.46Å; E90-H308 PolarHBondContact N-O 3.21Å; E90-H308 VanDerWaalsContact OE1-CA 3.23Å; E90-H308 WeakPolarHBondContact OE1-CA 3.06Å; E90-H308 WeakPolarHBondContact OE1-CB 3.22Å; E90-H308 IonicContact OE1-CG 3.74Å; E90-H308 IonicContact OE1-ND1 3.31Å; E90-H308 PolarHBondContact OE1-ND1 2.96Å; E90-H308 VanDerWaalsContact OE2-C 3.24Å; E90-F309 PolarHBondContact OE2-N 3.34Å; E90-K310 PolarHBondContact OE2-N 2.86Å; E90-L311 HydrophobicContact CB-CB 4.43Å; E90-L311 HydrophobicContact CG-CB 4.31Å; E90-L311 WeakPolarHBondContact OE2-CB 3.37Å; E90-L311 WeakPolarHBondContact OE2-CG 3.5Å; E90-L311 PolarHBondContact OE2-N 2.64Å; E90-N312 HydrophobicContact CB-CB 4.18Å; E90-N312 WeakPolarHBondContact O-CB 3.47Å; E90-N312 PolarHBondContact O-ND2 2.9Å; E90-I315 HydrophobicContact CB-CD1 4.31Å |
| 91 | D | 92.9 | Very high | 89 | Confident | 68 Ų | 68 | 26.6 Ų | 26.6 | 36% | 0.364 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -74.5 | -50.5 | 177.6 | -72.9 | -47.7 | 0 | 0 | 0 | 112.2 | K87 Y88 G93 N122 | K87-D91 HydrophobicContact CB-CB 3.86Å; K87-D91 HydrophobicContact CD-CB 4.04Å; K87-D91 HydrophobicContact CG-CB 4.01Å; Y88-D91 WeakPolarHBondContact CB-OD2 3.41Å; Y88-D91 PolarHBondContact N-OD2 3.03Å; Y88-D91 WeakPolarHBondContact O-CB 3.28Å; Y88-D91 PolarHBondContact O-N 2.85Å; D91-G93 VanDerWaalsContact C-N 3.33Å; D91-N122 WeakPolarHBondContact O-CB 3.26Å |
| 92 | H | 92.9 | Very high | 89 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -82.6 | -13.5 | -177.8 | 70.9 | 66.2 | 0 | 0 | 0 | 113 | P78 I81 T82 K87 Y88 I94 V121 N122 | P78-H92 PolarHBondContact O-CE1 2.79Å; P78-H92 PolarHBondContact O-NE2 3.08Å; I81-H92 HydrophobicContact CG2-CB 4.02Å; I81-H92 WeakPolarHBondContact CG2-ND1 3.33Å; T82-H92 PolarHBondContact OG1-NE2 3.38Å; K87-H92 HydrophobicContact CB-CB 4.12Å; K87-H92 HydrophobicContact CD-CB 4.44Å; K87-H92 PolarHBondContact O-CD2 2.55Å; Y88-H92 PolarHBondContact O-CD2 2.83Å; Y88-H92 PolarHBondContact O-N 3.42Å; H92-I94 VanDerWaalsContact C-N 3.33Å; H92-I94 PolarHBondContact ND1-N 2.92Å; H92-I94 PolarHBondContact O-N 3.24Å; H92-V121 HydrophobicContact CB-CG1 4.4Å; H92-N122 PolarHBondContact O-N 2.85Å |
| 93 | G | 93.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | 74.4 | 10.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 116 | V89 D91 V95 N312 R314 | V89-G93 WeakPolarHBondContact O-CA 3.38Å; V89-G93 PolarHBondContact O-N 2.94Å; D91-G93 VanDerWaalsContact C-N 3.33Å; G93-V95 PolarHBondContact O-N 3.25Å; G93-N312 WeakPolarHBondContact CA-ND2 3.45Å; G93-R314 WeakPolarHBondContact O-CD 3.33Å; G93-R314 PolarHBondContact O-NH1 2.96Å | ||
| 94 | I | 93.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -96.3 | 83.8 | 177 | -53.8 | -50.6 | 0 | 0 | 0 | 107.3 | P78 I81 V89 H92 F99 F110 Y120 V121 | P78-I94 VanDerWaalsContact CB-O 3.28Å; P78-I94 WeakPolarHBondContact CB-O 3.25Å; P78-I94 VanDerWaalsContact CG-O 3.23Å; P78-I94 WeakPolarHBondContact CG-O 3.39Å; I81-I94 HydrophobicContact CG1-CG1 4.47Å; I81-I94 HydrophobicContact CG2-CG1 4.44Å; V89-I94 WeakPolarHBondContact CG1-O 3.47Å; H92-I94 VanDerWaalsContact C-N 3.33Å; H92-I94 PolarHBondContact ND1-N 2.92Å; H92-I94 PolarHBondContact O-N 3.24Å; I94-F99 HydrophobicContact CD1-CE1 4.31Å; I94-F99 HydrophobicContact CD1-CZ 4.02Å; I94-F99 HydrophobicContact CG2-CE1 4.36Å; I94-F110 HydrophobicContact CD1-CD2 3.67Å; I94-F110 HydrophobicContact CD1-CE2 3.31Å; I94-F110 HydrophobicContact CD1-CZ 3.95Å; I94-F110 HydrophobicContact CG1-CD2 4.34Å; I94-F110 HydrophobicContact CG1-CE2 3.78Å; I94-F110 HydrophobicContact CG1-CZ 3.87Å; I94-F110 HydrophobicContact CG2-CD1 3.92Å; I94-F110 HydrophobicContact CG2-CD2 4.14Å; I94-F110 HydrophobicContact CG2-CE1 3.99Å; I94-F110 HydrophobicContact CG2-CE2 4.24Å; I94-F110 HydrophobicContact CG2-CG 3.99Å; I94-F110 HydrophobicContact CG2-CZ 4.14Å; I94-Y120 WeakPolarHBondContact CD1-O 3.46Å; I94-V121 HydrophobicContact CD1-CG2 3.99Å; I94-V121 HydrophobicContact CG1-CG2 3.91Å | ||
| 95 | V | 93.2 | Very high | 89 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -84.2 | -13.4 | -168 | -57.9 | 0 | 0 | 0 | 0 | 114 | P73 V89 G93 F99 Y269 L271 F309 R314 I315 | P73-V95 WeakPolarHBondContact CG-O 3.38Å; V89-V95 HydrophobicContact CG1-CB 4.39Å; V89-V95 HydrophobicContact CG1-CG1 4.22Å; G93-V95 PolarHBondContact O-N 3.25Å; V95-F99 HydrophobicContact CG2-CB 3.54Å; V95-F99 HydrophobicContact CG2-CD1 4.19Å; V95-F99 HydrophobicContact CG2-CG 3.88Å; V95-Y269 PolarHBondContact O-OH 3.05Å; V95-L271 HydrophobicContact CG2-CD1 3.81Å; V95-F309 HydrophobicContact CB-CE2 3.71Å; V95-F309 HydrophobicContact CB-CZ 3.9Å; V95-F309 HydrophobicContact CG1-CE2 4.03Å; V95-F309 HydrophobicContact CG1-CZ 4.46Å; V95-R314 HydrophobicContact CG1-CB 4.09Å; V95-R314 HydrophobicContact CG2-CB 3.91Å; V95-I315 HydrophobicContact CB-CG1 4.34Å; V95-I315 HydrophobicContact CG1-CD1 4.17Å; V95-I315 HydrophobicContact CG1-CG1 3.66Å | ||
| 96 | A | 89.2 | Confident | 89.2 | Confident | 5 Ų | 5 | 44.4 Ų | 44.4 | 4% | 0.041 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -168.7 | 172.5 | -177 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q98 F99 Y269 L271 | A96-Q98 VanDerWaalsContact C-N 3.28Å; A96-Q98 WeakPolarHBondContact CB-O 3.32Å; A96-F99 HydrophobicContact CB-CB 4.46Å; A96-F99 WeakPolarHBondContact O-CD1 3.47Å; A96-Y269 VanDerWaalsContact CA-OH 3.27Å; A96-Y269 WeakPolarHBondContact CA-OH 3.43Å; A96-Y269 HydrophobicContact CB-CE2 4.41Å; A96-Y269 WeakPolarHBondContact CB-OH 3.2Å; A96-L271 HydrophobicContact CB-CD1 4.12Å |
| 97 | K | 83.1 | Confident | 89.7 | Confident | 120 Ų | 120 | 47 Ų | 47 | 52% | 0.522 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -65.2 | -33 | 167.1 | -175.3 | 177.4 | -174.9 | 171.3 | 0 | 112.2 | F77 F110 | F77-K97 HydrophobicContact CD2-CB 4.45Å; F77-K97 HydrophobicContact CD2-CG 4.29Å; F77-K97 HydrophobicContact CE2-CD 4.38Å; F77-K97 HydrophobicContact CE2-CG 4.21Å; K97-F110 PolarHBondContact O-N 2.91Å |
| 98 | Q | 87.2 | Confident | 89.8 | Confident | 101 Ų | 101 | 43.9 Ų | 43.9 | 47% | 0.472 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 133.8 | 172.5 | -62 | -177 | 7.7 | 0 | 0 | 109.2 | A96 I108 A264 | A96-Q98 VanDerWaalsContact C-N 3.28Å; A96-Q98 WeakPolarHBondContact CB-O 3.32Å; Q98-I108 CarbonylContact C-O 3.52Å; Q98-I108 WeakPolarHBondContact CA-O 3.49Å; Q98-A264 WeakPolarHBondContact O-CB 3.39Å |
| 99 | F | 90.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 160.9 | 179.5 | 53.7 | -94.2 | 0 | 0 | 0 | 111.1 | I94 V95 A96 D101 I108 F110 R314 | I94-F99 HydrophobicContact CD1-CE1 4.31Å; I94-F99 HydrophobicContact CD1-CZ 4.02Å; I94-F99 HydrophobicContact CG2-CE1 4.36Å; V95-F99 HydrophobicContact CG2-CB 3.54Å; V95-F99 HydrophobicContact CG2-CD1 4.19Å; V95-F99 HydrophobicContact CG2-CG 3.88Å; A96-F99 HydrophobicContact CB-CB 4.46Å; A96-F99 WeakPolarHBondContact O-CD1 3.47Å; F99-D101 HydrophobicContact CD2-CB 4.41Å; F99-D101 HydrophobicContact CE2-CB 4.24Å; F99-I108 HydrophobicContact CD2-CB 4.13Å; F99-I108 HydrophobicContact CE1-CG2 4.28Å; F99-I108 HydrophobicContact CE2-CB 3.8Å; F99-I108 HydrophobicContact CE2-CG1 4.06Å; F99-I108 HydrophobicContact CE2-CG2 4.05Å; F99-I108 HydrophobicContact CZ-CB 4.05Å; F99-I108 HydrophobicContact CZ-CG2 3.79Å; F99-I108 PolarHBondContact N-O 2.9Å; F99-I108 PolarHBondContact O-N 3.09Å; F99-F110 HydrophobicContact CE1-CB 4.18Å; F99-F110 HydrophobicContact CE1-CD2 4.43Å; F99-R314 HydrophobicContact CD2-CB 4.33Å; F99-R314 HydrophobicContact CD2-CG 4.11Å; F99-R314 HydrophobicContact CE2-CG 4.36Å |
| 100 | Y | 91.7 | Very high | 89.5 | Confident | 41 Ų | 41 | 43 Ų | 43 | 16% | 0.161 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 136.3 | 167 | -179.7 | -123.7 | 0 | 0 | 0 | 109.7 | P102 G105 R106 R262 H273 R314 | Y100-P102 HydrophobicContact CD1-CG 3.91Å; Y100-P102 HydrophobicContact CE1-CB 4.09Å; Y100-P102 HydrophobicContact CE1-CG 3.81Å; Y100-P102 WeakPolarHBondContact O-CD 3.41Å; Y100-G105 VanDerWaalsContact CE2-C 3.49Å; Y100-R106 WeakPolarHBondContact CD2-O 3.29Å; Y100-R262 VanDerWaalsContact CZ-NH1 3.31Å; Y100-R262 PolarHBondContact OH-NH1 2.91Å; Y100-H273 AromaticContact CD1-CE1 3.86Å; Y100-H273 AromaticContact CD1-NE2 3.48Å; Y100-H273 WeakPolarHBondContact CD1-NE2 3.46Å; Y100-H273 AromaticContact CG-NE2 3.96Å; Y100-R314 WeakPolarHBondContact O-CG 3.36Å |
| 101 | D | 92.4 | Very high | 88.6 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.011 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 95.6 | 176.9 | -179.3 | 57 | 0 | 0 | 0 | 110 | F99 T104 G105 R106 I108 R314 | F99-D101 HydrophobicContact CD2-CB 4.41Å; F99-D101 HydrophobicContact CE2-CB 4.24Å; D101-T104 PolarHBondContact O-N 3.16Å; D101-T104 VanDerWaalsContact OD2-CB 3.32Å; D101-T104 WeakPolarHBondContact OD2-CB 3.34Å; D101-T104 WeakPolarHBondContact OD2-CG2 3.48Å; D101-T104 PolarHBondContact OD2-N 3.4Å; D101-T104 PolarHBondContact OD2-OG1 2.97Å; D101-G105 PolarHBondContact O-N 3.04Å; D101-R106 PolarHBondContact N-O 3.02Å; D101-R106 PolarHBondContact O-N 2.77Å; D101-I108 HydrophobicContact CB-CD1 4.38Å; D101-I108 HydrophobicContact CB-CG1 3.55Å; D101-R314 IonicContact OD1-CZ 2.77Å; D101-R314 IonicContact OD1-NE 3.77Å; D101-R314 PolarHBondContact OD1-NE 3.15Å; D101-R314 IonicContact OD1-NH2 3.69Å; D101-R314 PolarHBondContact OD1-NH2 3.01Å |
| 102 | P | 89.6 | Confident | 87.9 | Confident | 50 Ų | 50 | 49.8 Ų | 49.8 | 33% | 0.325 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -55.2 | -42.3 | -176.4 | -24.1 | 32.6 | 0 | 0 | 0 | 114.5 | Y100 T104 G105 D313 | Y100-P102 HydrophobicContact CD1-CG 3.91Å; Y100-P102 HydrophobicContact CE1-CB 4.09Å; Y100-P102 HydrophobicContact CE1-CG 3.81Å; Y100-P102 WeakPolarHBondContact O-CD 3.41Å; P102-T104 PolarHBondContact O-N 3.24Å; P102-G105 PolarHBondContact O-N 3.39Å; P102-G105 VanDerWaalsContact O-N 3.12Å; P102-D313 HydrophobicContact CG-CB 4.11Å; P102-D313 WeakPolarHBondContact CG-O 3.26Å |
| 103 | P | 85.9 | Confident | 87.2 | Confident | 105 Ų | 105 | 51.3 Ų | 51.3 | 68% | 0.682 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -59.9 | -27.1 | 179 | -26.9 | 36.4 | 0 | 0 | 0 | 115.3 | ||
| 104 | T | 87.4 | Confident | 86.6 | Confident | 62 Ų | 62 | 53.1 Ų | 53.1 | 38% | 0.38 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -105.5 | -4.1 | 175.9 | 65.8 | 0 | 0 | 0 | 0 | 113.9 | D101 P102 R106 Y120 | D101-T104 PolarHBondContact O-N 3.16Å; D101-T104 VanDerWaalsContact OD2-CB 3.32Å; D101-T104 WeakPolarHBondContact OD2-CB 3.34Å; D101-T104 WeakPolarHBondContact OD2-CG2 3.48Å; D101-T104 PolarHBondContact OD2-N 3.4Å; D101-T104 PolarHBondContact OD2-OG1 2.97Å; P102-T104 PolarHBondContact O-N 3.24Å; T104-R106 WeakPolarHBondContact O-CG 3.5Å; T104-R106 PolarHBondContact O-N 2.94Å; T104-Y120 HydrophobicContact CG2-CE1 4.35Å |
| 105 | G | 87.2 | Confident | 86 | Confident | 42 Ų | 42 | 58.2 Ų | 58.2 | 43% | 0.433 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | 16.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y100 D101 P102 | Y100-G105 VanDerWaalsContact CE2-C 3.49Å; D101-G105 PolarHBondContact O-N 3.04Å; P102-G105 PolarHBondContact O-N 3.39Å; P102-G105 VanDerWaalsContact O-N 3.12Å |
| 106 | R | 87.4 | Confident | 85.8 | Confident | 160 Ų | 160 | 64.9 Ų | 64.9 | 60% | 0.604 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 147.9 | -168 | -72.7 | 167.1 | -176.9 | -169.3 | -0.4 | 113.6 | Y100 D101 T104 I108 | Y100-R106 WeakPolarHBondContact CD2-O 3.29Å; D101-R106 PolarHBondContact N-O 3.02Å; D101-R106 PolarHBondContact O-N 2.77Å; T104-R106 WeakPolarHBondContact O-CG 3.5Å; T104-R106 PolarHBondContact O-N 2.94Å; R106-I108 HydrophobicContact CB-CD1 3.91Å; R106-I108 PolarHBondContact O-N 2.81Å |
| 107 | Q | 89 | Confident | 85.8 | Confident | 88 Ų | 88 | 65 Ų | 65 | 41% | 0.411 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 116.2 | 162 | -163.5 | 74.9 | 1.3 | 0 | 0 | 108.8 | W263 | Q107-W263 PolarHBondContact NE2-O 3.49Å |
| 108 | I | 88.1 | Confident | 86.3 | Confident | 9 Ų | 9 | 60.5 Ų | 60.5 | 5% | 0.046 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 134.4 | -178.5 | -57.6 | -54.9 | 0 | 0 | 0 | 109.6 | Q98 F99 D101 R106 L113 Y120 | Q98-I108 CarbonylContact C-O 3.52Å; Q98-I108 WeakPolarHBondContact CA-O 3.49Å; F99-I108 HydrophobicContact CD2-CB 4.13Å; F99-I108 HydrophobicContact CE1-CG2 4.28Å; F99-I108 HydrophobicContact CE2-CB 3.8Å; F99-I108 HydrophobicContact CE2-CG1 4.06Å; F99-I108 HydrophobicContact CE2-CG2 4.05Å; F99-I108 HydrophobicContact CZ-CB 4.05Å; F99-I108 HydrophobicContact CZ-CG2 3.79Å; F99-I108 PolarHBondContact N-O 2.9Å; F99-I108 PolarHBondContact O-N 3.09Å; D101-I108 HydrophobicContact CB-CD1 4.38Å; D101-I108 HydrophobicContact CB-CG1 3.55Å; R106-I108 HydrophobicContact CB-CD1 3.91Å; R106-I108 PolarHBondContact O-N 2.81Å; I108-L113 HydrophobicContact CG2-CD1 3.88Å; I108-L113 HydrophobicContact CG2-CD2 4.26Å; I108-L113 HydrophobicContact CG2-CG 4.3Å; I108-Y120 HydrophobicContact CD1-CD1 4.3Å; I108-Y120 HydrophobicContact CD1-CE1 3.44Å; I108-Y120 VanDerWaalsContact CD1-CE1 3.44Å; I108-Y120 HydrophobicContact CG1-CD1 4.14Å; I108-Y120 HydrophobicContact CG1-CE1 3.74Å; I108-Y120 HydrophobicContact CG2-CD1 4.5Å |
| 109 | S | 86.7 | Confident | 86.5 | Confident | 28 Ų | 28 | 64 Ų | 64 | 20% | 0.196 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 97.3 | 166.4 | 168.9 | 0 | 0 | 0 | 0 | 107.2 | A111 K112 | S109-A111 VanDerWaalsContact C-N 3.31Å; S109-A111 PolarHBondContact O-N 3.37Å; S109-K112 WeakPolarHBondContact O-CB 3.41Å; S109-K112 PolarHBondContact O-N 2.98Å; S109-K112 WeakPolarHBondContact OG-CG 3.48Å |
| 110 | F | 84.8 | Confident | 86.6 | Confident | 4 Ų | 4 | 65.5 Ų | 65.5 | 2% | 0.018 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -56.8 | -43.7 | -166.6 | -170.6 | -110 | 0 | 0 | 0 | 112.6 | F77 I81 I94 K97 F99 K112 L113 M117 V121 L145 | F77-F110 HydrophobicContact CB-CD1 4.12Å; F77-F110 HydrophobicContact CB-CE1 4.49Å; F77-F110 AromaticContact CD1-CD1 3.58Å; F77-F110 HydrophobicContact CD1-CD1 3.58Å; F77-F110 AromaticContact CD1-CE1 3.95Å; F77-F110 HydrophobicContact CD1-CE1 3.95Å; F77-F110 HydrophobicContact CE1-CD1 4.31Å; F77-F110 HydrophobicContact CG-CD1 4.1Å; I81-F110 HydrophobicContact CD1-CE1 4.38Å; I81-F110 HydrophobicContact CD1-CZ 4.2Å; I81-F110 HydrophobicContact CG1-CE1 4.26Å; I81-F110 HydrophobicContact CG1-CZ 4.28Å; I94-F110 HydrophobicContact CD1-CD2 3.67Å; I94-F110 HydrophobicContact CD1-CE2 3.31Å; I94-F110 HydrophobicContact CD1-CZ 3.95Å; I94-F110 HydrophobicContact CG1-CD2 4.34Å; I94-F110 HydrophobicContact CG1-CE2 3.78Å; I94-F110 HydrophobicContact CG1-CZ 3.87Å; I94-F110 HydrophobicContact CG2-CD1 3.92Å; I94-F110 HydrophobicContact CG2-CD2 4.14Å; I94-F110 HydrophobicContact CG2-CE1 3.99Å; I94-F110 HydrophobicContact CG2-CE2 4.24Å; I94-F110 HydrophobicContact CG2-CG 3.99Å; I94-F110 HydrophobicContact CG2-CZ 4.14Å; K97-F110 PolarHBondContact O-N 2.91Å; F99-F110 HydrophobicContact CE1-CB 4.18Å; F99-F110 HydrophobicContact CE1-CD2 4.43Å; F110-K112 PolarHBondContact O-N 2.95Å; F110-L113 HydrophobicContact CD2-CD1 3.61Å; F110-L113 HydrophobicContact CE2-CD1 4.14Å; F110-L113 HydrophobicContact CG-CD1 4.41Å; F110-L113 WeakPolarHBondContact O-CB 3.36Å; F110-L113 WeakPolarHBondContact O-CG 3.36Å; F110-L113 PolarHBondContact O-N 3.05Å; F110-M117 HydrophobicContact CE1-CE 4.26Å; F110-M117 HydrophobicContact CE2-CB 4.16Å; F110-M117 HydrophobicContact CZ-CB 4.24Å; F110-M117 HydrophobicContact CZ-CE 3.84Å; F110-V121 HydrophobicContact CE2-CG2 3.86Å; F110-V121 HydrophobicContact CZ-CG2 3.76Å; F110-L145 HydrophobicContact CE1-CD1 4.47Å; F110-L145 HydrophobicContact CE1-CD2 4.31Å |
| 111 | A | 74.8 | Confident | 86.7 | Confident | 52 Ų | 52 | 64 Ų | 64 | 43% | 0.43 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -59.9 | -12.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | F77 S109 | F77-A111 HydrophobicContact CE1-CB 4.09Å; F77-A111 HydrophobicContact CE2-CB 4.15Å; F77-A111 HydrophobicContact CZ-CB 3.57Å; S109-A111 VanDerWaalsContact C-N 3.31Å; S109-A111 PolarHBondContact O-N 3.37Å |
| 112 | K | 77.8 | Confident | 86.6 | Confident | 176 Ų | 176 | 68.5 Ų | 68.5 | 77% | 0.765 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -103.7 | 0.6 | 178.3 | -66.7 | -172.2 | 177.4 | -169.4 | 0 | 113.6 | S109 F110 | S109-K112 WeakPolarHBondContact O-CB 3.41Å; S109-K112 PolarHBondContact O-N 2.98Å; S109-K112 WeakPolarHBondContact OG-CG 3.48Å; F110-K112 PolarHBondContact O-N 2.95Å |
| 113 | L | 78.3 | Confident | 86.5 | Confident | 32 Ų | 32 | 66.8 Ų | 66.8 | 17% | 0.168 | 35% | 0.351 | C | S | . | . | trans | -76.2 | -29.2 | -179.7 | -65.2 | 174.2 | 0 | 0 | 0 | 112.7 | I108 F110 Q115 K116 M117 Y120 | I108-L113 HydrophobicContact CG2-CD1 3.88Å; I108-L113 HydrophobicContact CG2-CD2 4.26Å; I108-L113 HydrophobicContact CG2-CG 4.3Å; F110-L113 HydrophobicContact CD2-CD1 3.61Å; F110-L113 HydrophobicContact CE2-CD1 4.14Å; F110-L113 HydrophobicContact CG-CD1 4.41Å; F110-L113 WeakPolarHBondContact O-CB 3.36Å; F110-L113 WeakPolarHBondContact O-CG 3.36Å; F110-L113 PolarHBondContact O-N 3.05Å; L113-Q115 PolarHBondContact O-N 2.83Å; L113-K116 WeakPolarHBondContact O-CB 3.49Å; L113-K116 PolarHBondContact O-N 2.78Å; L113-M117 HydrophobicContact CB-CB 4.02Å; L113-M117 HydrophobicContact CD1-CB 4.4Å; L113-Y120 HydrophobicContact CD1-CD2 3.49Å; L113-Y120 VanDerWaalsContact CD1-CD2 3.49Å; L113-Y120 HydrophobicContact CD1-CE2 3.94Å; L113-Y120 HydrophobicContact CD1-CG 4.02Å; L113-Y120 HydrophobicContact CD2-CD2 4.14Å; L113-Y120 HydrophobicContact CD2-CE2 3.68Å; L113-Y120 HydrophobicContact CG-CD2 4.44Å; L113-Y120 HydrophobicContact CG-CE2 4.46Å | ||
| 114 | G | 80.2 | Confident | 86.6 | Confident | 38 Ų | 38 | 64.4 Ų | 64.4 | 39% | 0.392 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | 46.8 | -125.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | K116 M117 | G114-K116 PolarHBondContact O-N 3.03Å; G114-M117 WeakPolarHBondContact O-CB 3.18Å; G114-M117 VanDerWaalsContact O-CG 3.31Å; G114-M117 WeakPolarHBondContact O-CG 3.48Å; G114-M117 PolarHBondContact O-N 2.89Å |
| 115 | Q | 82.7 | Confident | 86.8 | Confident | 108 Ų | 108 | 61.4 Ų | 61.4 | 51% | 0.505 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -49 | -18.5 | 175.7 | -60.8 | -67.4 | -52.4 | 0 | 0 | 115.7 | L113 D148 | L113-Q115 PolarHBondContact O-N 2.83Å; Q115-D148 PolarHBondContact NE2-O 2.98Å |
| 116 | K | 87.4 | Confident | 86.6 | Confident | 140 Ų | 140 | 60 Ų | 60 | 61% | 0.609 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -95.1 | -0.7 | 179.2 | -61.5 | 178 | -176.8 | 173.5 | 0 | 114.1 | L113 G114 W118 K119 | L113-K116 WeakPolarHBondContact O-CB 3.49Å; L113-K116 PolarHBondContact O-N 2.78Å; G114-K116 PolarHBondContact O-N 3.03Å; K116-W118 PolarHBondContact O-N 3.19Å; K116-K119 WeakPolarHBondContact O-CB 3.49Å; K116-K119 PolarHBondContact O-N 3.11Å |
| 117 | M | 90.5 | Very high | 86.7 | Confident | 8 Ų | 8 | 52.5 Ų | 52.5 | 4% | 0.039 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -59.5 | -39.5 | -171 | 64.1 | 174.2 | -88.5 | 0 | 0 | 114.2 | I81 F110 L113 G114 K119 Y120 L145 G146 A149 | I81-M117 HydrophobicContact CD1-CE 3.92Å; F110-M117 HydrophobicContact CE1-CE 4.26Å; F110-M117 HydrophobicContact CE2-CB 4.16Å; F110-M117 HydrophobicContact CZ-CB 4.24Å; F110-M117 HydrophobicContact CZ-CE 3.84Å; L113-M117 HydrophobicContact CB-CB 4.02Å; L113-M117 HydrophobicContact CD1-CB 4.4Å; G114-M117 WeakPolarHBondContact O-CB 3.18Å; G114-M117 VanDerWaalsContact O-CG 3.31Å; G114-M117 WeakPolarHBondContact O-CG 3.48Å; G114-M117 PolarHBondContact O-N 2.89Å; M117-K119 PolarHBondContact O-N 2.98Å; M117-Y120 PolarHBondContact O-N 2.97Å; M117-L145 HydrophobicContact CE-CD1 4.25Å; M117-L145 HydrophobicContact CE-CG 4.18Å; M117-L145 HydrophobicContact SD-CD1 4.26Å; M117-G146 WeakPolarHBondContact SD-CA 3.1Å; M117-A149 HydrophobicContact CG-CB 3.95Å; M117-A149 HydrophobicContact SD-CB 4.4Å |
| 118 | W | 93.3 | Very high | 86.8 | Confident | 24 Ų | 24 | 48.3 Ų | 48.3 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -64 | -14.2 | -178.9 | -66.6 | 117.4 | 0 | 0 | 0 | 114.2 | I81 I84 K116 Y120 V121 P125 W127 G146 A149 Y151 | I81-W118 HydrophobicContact CD1-CH2 4.34Å; I84-W118 HydrophobicContact CD1-CH2 3.93Å; K116-W118 PolarHBondContact O-N 3.19Å; W118-Y120 PolarHBondContact O-N 2.9Å; W118-V121 HydrophobicContact CE3-CB 3.85Å; W118-V121 HydrophobicContact CE3-CG1 4.16Å; W118-V121 HydrophobicContact CE3-CG2 4.06Å; W118-V121 HydrophobicContact CZ3-CB 4.05Å; W118-V121 HydrophobicContact CZ3-CG1 3.86Å; W118-V121 HydrophobicContact CZ3-CG2 4.2Å; W118-P125 HydrophobicContact CE3-CG 4.42Å; W118-P125 HydrophobicContact CH2-CB 3.61Å; W118-P125 HydrophobicContact CH2-CG 3.58Å; W118-P125 HydrophobicContact CZ2-CB 4.23Å; W118-P125 HydrophobicContact CZ2-CG 3.91Å; W118-P125 HydrophobicContact CZ3-CB 4.09Å; W118-P125 HydrophobicContact CZ3-CG 3.83Å; W118-W127 AromaticContact CE2-CZ2 3.8Å; W118-W127 AromaticContact CZ2-CZ2 3.63Å; W118-W127 HydrophobicContact CZ2-CZ2 3.63Å; W118-W127 AromaticContact CZ2-NE1 3.87Å; W118-W127 AromaticContact NE1-CZ2 3.72Å; W118-G146 PolarHBondContact NE1-O 3.07Å; W118-A149 VanDerWaalsContact CD1-O 3.23Å; W118-A149 PolarHBondContact NE1-O 2.96Å; W118-Y151 HydrophobicContact CB-CD2 4.13Å; W118-Y151 AromaticContact CD2-CD2 3.86Å; W118-Y151 HydrophobicContact CD2-CD2 3.86Å; W118-Y151 AromaticContact CE3-CD2 3.85Å; W118-Y151 HydrophobicContact CE3-CD2 3.85Å; W118-Y151 HydrophobicContact CE3-CE2 4.43Å; W118-Y151 AromaticContact CG-CD2 3.96Å; W118-Y151 HydrophobicContact CG-CD2 3.96Å |
| 119 | K | 91.1 | Very high | 86.7 | Confident | 176 Ų | 176 | 49.1 Ų | 49.1 | 77% | 0.765 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -69.2 | -16.3 | 170.8 | -61.8 | -165.6 | 175 | -160.6 | 0 | 113.6 | K116 M117 | K116-K119 WeakPolarHBondContact O-CB 3.49Å; K116-K119 PolarHBondContact O-N 3.11Å; M117-K119 PolarHBondContact O-N 2.98Å |
| 120 | Y | 92.2 | Very high | 86.7 | Confident | 30 Ų | 30 | 47.9 Ų | 47.9 | 12% | 0.118 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -111.6 | -5.8 | -177.4 | -63 | -93.1 | 0 | 0 | 0 | 112.9 | I94 T104 I108 L113 M117 W118 R314 | I94-Y120 WeakPolarHBondContact CD1-O 3.46Å; T104-Y120 HydrophobicContact CG2-CE1 4.35Å; I108-Y120 HydrophobicContact CD1-CD1 4.3Å; I108-Y120 HydrophobicContact CD1-CE1 3.44Å; I108-Y120 VanDerWaalsContact CD1-CE1 3.44Å; I108-Y120 HydrophobicContact CG1-CD1 4.14Å; I108-Y120 HydrophobicContact CG1-CE1 3.74Å; I108-Y120 HydrophobicContact CG2-CD1 4.5Å; L113-Y120 HydrophobicContact CD1-CD2 3.49Å; L113-Y120 VanDerWaalsContact CD1-CD2 3.49Å; L113-Y120 HydrophobicContact CD1-CE2 3.94Å; L113-Y120 HydrophobicContact CD1-CG 4.02Å; L113-Y120 HydrophobicContact CD2-CD2 4.14Å; L113-Y120 HydrophobicContact CD2-CE2 3.68Å; L113-Y120 HydrophobicContact CG-CD2 4.44Å; L113-Y120 HydrophobicContact CG-CE2 4.46Å; M117-Y120 PolarHBondContact O-N 2.97Å; W118-Y120 PolarHBondContact O-N 2.9Å; Y120-R314 PolarHBondContact O-NH1 3.05Å |
| 121 | V | 93 | Very high | 86.9 | Confident | 9 Ų | 9 | 48 Ų | 48 | 6% | 0.055 | 25% | 0.245 | C | C | . | . | trans | -100.1 | 117.5 | -177.8 | -176.3 | 0 | 0 | 0 | 0 | 110.1 | I81 T85 H92 I94 F110 W118 G123 | I81-V121 HydrophobicContact CD1-CG2 4.35Å; I81-V121 HydrophobicContact CG2-CG1 3.67Å; T85-V121 HydrophobicContact CG2-CG1 4.4Å; H92-V121 HydrophobicContact CB-CG1 4.4Å; I94-V121 HydrophobicContact CD1-CG2 3.99Å; I94-V121 HydrophobicContact CG1-CG2 3.91Å; F110-V121 HydrophobicContact CE2-CG2 3.86Å; F110-V121 HydrophobicContact CZ-CG2 3.76Å; W118-V121 HydrophobicContact CE3-CB 3.85Å; W118-V121 HydrophobicContact CE3-CG1 4.16Å; W118-V121 HydrophobicContact CE3-CG2 4.06Å; W118-V121 HydrophobicContact CZ3-CB 4.05Å; W118-V121 HydrophobicContact CZ3-CG1 3.86Å; W118-V121 HydrophobicContact CZ3-CG2 4.2Å; V121-G123 VanDerWaalsContact C-N 3.32Å; V121-G123 PolarHBondContact O-N 2.83Å; V121-G123 VanDerWaalsContact O-N 3.08Å | ||
| 122 | N | 91.2 | Very high | 87.5 | Confident | 98 Ų | 98 | 51.1 Ų | 51.1 | 52% | 0.524 | 25% | 0.249 | S | C | . | . | trans | -84.9 | 71 | 175.9 | -80 | -5 | 0 | 0 | 0 | 111.1 | K87 D91 H92 | K87-N122 WeakPolarHBondContact CD-O 3.37Å; K87-N122 WeakPolarHBondContact CE-O 3.41Å; D91-N122 WeakPolarHBondContact O-CB 3.26Å; H92-N122 PolarHBondContact O-N 2.85Å | ||
| 123 | G | 86.6 | Confident | 87.6 | Confident | 14 Ų | 14 | 45.4 Ų | 45.4 | 14% | 0.144 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -177.5 | 159.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V121 Y151 | V121-G123 VanDerWaalsContact C-N 3.32Å; V121-G123 PolarHBondContact O-N 2.83Å; V121-G123 VanDerWaalsContact O-N 3.08Å; G123-Y151 WeakPolarHBondContact O-CE2 3.39Å |
| 124 | E | 89.4 | Confident | 87.9 | Confident | 54 Ų | 54 | 45.3 Ų | 45.3 | 25% | 0.252 | 23% | 0.23 | S | C | . | . | trans | -96 | 127 | 168.1 | -175.1 | 150.7 | 121.8 | 0 | 0 | 109.3 | A128 T129 K132 Y151 | E124-A128 HydrophobicContact CG-CB 4.18Å; E124-T129 WeakPolarHBondContact CG-OG1 3.45Å; E124-T129 PolarHBondContact OE1-OG1 2.96Å; E124-K132 WeakPolarHBondContact OE1-CE 3.23Å; E124-K132 IonicContact OE1-NZ 2.65Å; E124-K132 PolarHBondContact OE1-NZ 3.17Å; E124-K132 IonicContact OE2-NZ 2.69Å; E124-K132 PolarHBondContact OE2-NZ 3.25Å; E124-Y151 WeakPolarHBondContact CA-OH 3.41Å; E124-Y151 HydrophobicContact CB-CE1 4.4Å; E124-Y151 VanDerWaalsContact CB-OH 3.31Å; E124-Y151 WeakPolarHBondContact CB-OH 3.49Å; E124-Y151 HydrophobicContact CG-CE1 3.67Å; E124-Y151 WeakPolarHBondContact CG-OH 3.37Å; E124-Y151 VanDerWaalsContact OE2-CE1 3.25Å; E124-Y151 WeakPolarHBondContact OE2-CE1 3.3Å; E124-Y151 PolarHBondContact OE2-OH 2.82Å | ||
| 125 | P | 90.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -74.6 | 142.4 | 174.1 | 30.2 | -33.8 | 0 | 0 | 0 | 110.9 | I84 W118 W127 A128 T129 Y151 | I84-P125 HydrophobicContact CB-CB 4.41Å; I84-P125 HydrophobicContact CD1-CB 4.03Å; I84-P125 HydrophobicContact CG1-CB 4.1Å; I84-P125 CarbonylContact O-C 3.57Å; I84-P125 VanDerWaalsContact O-CA 3.27Å; I84-P125 WeakPolarHBondContact O-CA 3.25Å; W118-P125 HydrophobicContact CE3-CG 4.42Å; W118-P125 HydrophobicContact CH2-CB 3.61Å; W118-P125 HydrophobicContact CH2-CG 3.58Å; W118-P125 HydrophobicContact CZ2-CB 4.23Å; W118-P125 HydrophobicContact CZ2-CG 3.91Å; W118-P125 HydrophobicContact CZ3-CB 4.09Å; W118-P125 HydrophobicContact CZ3-CG 3.83Å; P125-W127 HydrophobicContact CB-CD2 4.29Å; P125-W127 HydrophobicContact CB-CG 4.17Å; P125-W127 HydrophobicContact CG-CD2 4.02Å; P125-W127 HydrophobicContact CG-CG 4.41Å; P125-W127 HydrophobicContact CG-CH2 4.45Å; P125-W127 HydrophobicContact CG-CZ2 3.76Å; P125-W127 PolarHBondContact O-N 2.92Å; P125-W127 VanDerWaalsContact O-N 3.11Å; P125-A128 HydrophobicContact CG-CB 3.85Å; P125-A128 WeakPolarHBondContact O-CA 3.28Å; P125-A128 WeakPolarHBondContact O-CB 3.3Å; P125-A128 PolarHBondContact O-N 2.83Å; P125-T129 PolarHBondContact O-N 2.9Å; P125-Y151 HydrophobicContact CG-CD2 4.33Å; P125-Y151 HydrophobicContact CG-CG 4.24Å | ||
| 126 | V | 84.5 | Confident | 88.6 | Confident | 13 Ų | 13 | 43.2 Ų | 43.2 | 8% | 0.079 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55.5 | -32.4 | -178.2 | 65.2 | 0 | 0 | 0 | 0 | 112.7 | I84 A128 T129 Y130 F185 F388 | I84-V126 HydrophobicContact CB-CG1 4.15Å; I84-V126 HydrophobicContact CG2-CG1 4.36Å; I84-V126 PolarHBondContact O-N 2.79Å; V126-A128 VanDerWaalsContact C-N 3.31Å; V126-A128 PolarHBondContact O-N 3.31Å; V126-T129 PolarHBondContact O-N 3.23Å; V126-Y130 WeakPolarHBondContact O-CB 3.29Å; V126-Y130 PolarHBondContact O-N 3.06Å; V126-F185 HydrophobicContact CG1-CE1 4.04Å; V126-F185 HydrophobicContact CG1-CZ 3.98Å; V126-F388 HydrophobicContact CG1-CZ 4.25Å; V126-F388 HydrophobicContact CG2-CE2 4.19Å; V126-F388 HydrophobicContact CG2-CZ 3.8Å |
| 127 | W | 89.2 | Confident | 88.7 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64 | -33.4 | 173.9 | 64 | -111 | 0 | 0 | 0 | 113 | W118 P125 A131 V139 G146 I154 L156 F185 L187 | W118-W127 AromaticContact CE2-CZ2 3.8Å; W118-W127 AromaticContact CZ2-CZ2 3.63Å; W118-W127 HydrophobicContact CZ2-CZ2 3.63Å; W118-W127 AromaticContact CZ2-NE1 3.87Å; W118-W127 AromaticContact NE1-CZ2 3.72Å; P125-W127 HydrophobicContact CB-CD2 4.29Å; P125-W127 HydrophobicContact CB-CG 4.17Å; P125-W127 HydrophobicContact CG-CD2 4.02Å; P125-W127 HydrophobicContact CG-CG 4.41Å; P125-W127 HydrophobicContact CG-CH2 4.45Å; P125-W127 HydrophobicContact CG-CZ2 3.76Å; P125-W127 PolarHBondContact O-N 2.92Å; P125-W127 VanDerWaalsContact O-N 3.11Å; W127-A131 WeakPolarHBondContact O-CB 3.44Å; W127-A131 PolarHBondContact O-N 3.49Å; W127-V139 HydrophobicContact CB-CG1 3.89Å; W127-G146 WeakPolarHBondContact CZ2-O 3.23Å; W127-I154 HydrophobicContact CE3-CG2 4.5Å; W127-I154 HydrophobicContact CZ3-CB 4.43Å; W127-I154 HydrophobicContact CZ3-CG2 3.91Å; W127-L156 HydrophobicContact CB-CD1 4.4Å; W127-L156 HydrophobicContact CD2-CD1 4.02Å; W127-L156 HydrophobicContact CE3-CD1 3.73Å; W127-L156 HydrophobicContact CE3-CD2 4.09Å; W127-L156 HydrophobicContact CE3-CG 3.86Å; W127-L156 HydrophobicContact CG-CD1 4.35Å; W127-L156 HydrophobicContact CZ3-CD1 4.29Å; W127-L156 HydrophobicContact CZ3-CD2 4.44Å; W127-L156 HydrophobicContact CZ3-CG 4.03Å; W127-F185 HydrophobicContact CB-CE1 4.11Å; W127-L187 HydrophobicContact CB-CD1 3.83Å; W127-L187 HydrophobicContact CG-CD1 4.12Å |
| 128 | A | 91 | Very high | 88.8 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -74.6 | -42 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111 | E124 P125 V126 Y130 A131 K132 Y151 I154 | E124-A128 HydrophobicContact CG-CB 4.18Å; P125-A128 HydrophobicContact CG-CB 3.85Å; P125-A128 WeakPolarHBondContact O-CA 3.28Å; P125-A128 WeakPolarHBondContact O-CB 3.3Å; P125-A128 PolarHBondContact O-N 2.83Å; V126-A128 VanDerWaalsContact C-N 3.31Å; V126-A128 PolarHBondContact O-N 3.31Å; A128-Y130 VanDerWaalsContact C-N 3.31Å; A128-Y130 PolarHBondContact O-N 3.13Å; A128-A131 PolarHBondContact O-N 3.35Å; A128-K132 WeakPolarHBondContact O-CG 3.2Å; A128-K132 PolarHBondContact O-N 3.11Å; A128-Y151 HydrophobicContact CB-CD1 3.45Å; A128-Y151 VanDerWaalsContact CB-CD1 3.45Å; A128-Y151 HydrophobicContact CB-CE1 3.86Å; A128-Y151 HydrophobicContact CB-CG 4.27Å; A128-I154 HydrophobicContact CB-CD1 3.91Å |
| 129 | T | 86.9 | Confident | 88.7 | Confident | 26 Ų | 26 | 42.5 Ų | 42.5 | 16% | 0.16 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.3 | -40.6 | 173.8 | -53.8 | 0 | 0 | 0 | 0 | 111.8 | E124 P125 V126 T133 | E124-T129 WeakPolarHBondContact CG-OG1 3.45Å; E124-T129 PolarHBondContact OE1-OG1 2.96Å; P125-T129 PolarHBondContact O-N 2.9Å; V126-T129 PolarHBondContact O-N 3.23Å; T129-T133 PolarHBondContact O-N 3.16Å; T129-T133 PolarHBondContact O-OG1 2.91Å |
| 130 | Y | 85.6 | Confident | 88.9 | Confident | 3 Ų | 3 | 34.1 Ų | 34.1 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.2 | -42.4 | 174.9 | -157.9 | -76.4 | 0 | 0 | 0 | 112 | V126 A128 K132 T133 T134 K138 V139 N184 F185 V385 P386 | V126-Y130 WeakPolarHBondContact O-CB 3.29Å; V126-Y130 PolarHBondContact O-N 3.06Å; A128-Y130 VanDerWaalsContact C-N 3.31Å; A128-Y130 PolarHBondContact O-N 3.13Å; Y130-K132 VanDerWaalsContact C-N 3.32Å; Y130-K132 PolarHBondContact O-N 3.39Å; Y130-T133 PolarHBondContact O-N 3.07Å; Y130-T133 PolarHBondContact O-OG1 2.95Å; Y130-T133 VanDerWaalsContact O-OG1 3.05Å; Y130-T134 HydrophobicContact CD1-CG2 4.07Å; Y130-T134 WeakPolarHBondContact CD1-OG1 3.36Å; Y130-T134 HydrophobicContact CE1-CG2 3.63Å; Y130-T134 WeakPolarHBondContact CE1-OG1 3.13Å; Y130-T134 PolarHBondContact O-N 2.66Å; Y130-T134 PolarHBondContact O-OG1 3.35Å; Y130-K138 HydrophobicContact CE1-CB 4.29Å; Y130-V139 HydrophobicContact CD1-CG2 3.46Å; Y130-V139 VanDerWaalsContact CD1-CG2 3.46Å; Y130-V139 HydrophobicContact CE1-CG2 4.39Å; Y130-V139 HydrophobicContact CG-CG2 4.07Å; Y130-N184 HydrophobicContact CE1-CB 4.09Å; Y130-N184 WeakPolarHBondContact OH-CB 3.48Å; Y130-F185 HydrophobicContact CD1-CB 3.84Å; Y130-F185 HydrophobicContact CD2-CB 3.97Å; Y130-F185 HydrophobicContact CD2-CD1 4.42Å; Y130-F185 HydrophobicContact CD2-CG 4.22Å; Y130-F185 HydrophobicContact CE1-CB 3.82Å; Y130-F185 HydrophobicContact CE2-CB 3.98Å; Y130-F185 HydrophobicContact CG-CB 3.92Å; Y130-F185 HydrophobicContact CG-CD1 4.18Å; Y130-F185 HydrophobicContact CG-CG 4.28Å; Y130-V385 HydrophobicContact CE2-CG1 4.07Å; Y130-P386 HydrophobicContact CD2-CG 3.8Å; Y130-P386 HydrophobicContact CE2-CG 4.38Å; Y130-P386 WeakPolarHBondContact CE2-O 3.49Å; Y130-P386 HydrophobicContact CG-CG 4.35Å |
| 131 | A | 89.2 | Confident | 88.8 | Confident | 5 Ų | 5 | 32.8 Ų | 32.8 | 4% | 0.041 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.2 | -33.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | W127 A128 G135 Q136 V139 I154 L156 | W127-A131 WeakPolarHBondContact O-CB 3.44Å; W127-A131 PolarHBondContact O-N 3.49Å; A128-A131 PolarHBondContact O-N 3.35Å; A131-G135 CarbonylContact O-C 3.51Å; A131-G135 VanDerWaalsContact O-C 3.29Å; A131-G135 WeakPolarHBondContact O-CA 3.43Å; A131-G135 PolarHBondContact O-N 3.17Å; A131-Q136 HydrophobicContact CB-CG 4.36Å; A131-V139 HydrophobicContact CB-CG2 4.15Å; A131-I154 HydrophobicContact CB-CG2 3.78Å; A131-L156 HydrophobicContact CB-CD2 4.2Å |
| 132 | K | 88 | Confident | 88.7 | Confident | 119 Ų | 119 | 32.3 Ų | 32.3 | 52% | 0.517 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -66.5 | -37.6 | 173.5 | -72.4 | 173.3 | -175 | 176.8 | 0 | 113.5 | E124 A128 Y130 I154 | E124-K132 WeakPolarHBondContact OE1-CE 3.23Å; E124-K132 IonicContact OE1-NZ 2.65Å; E124-K132 PolarHBondContact OE1-NZ 3.17Å; E124-K132 IonicContact OE2-NZ 2.69Å; E124-K132 PolarHBondContact OE2-NZ 3.25Å; A128-K132 WeakPolarHBondContact O-CG 3.2Å; A128-K132 PolarHBondContact O-N 3.11Å; Y130-K132 VanDerWaalsContact C-N 3.32Å; Y130-K132 PolarHBondContact O-N 3.39Å; K132-I154 HydrophobicContact CD-CD1 4.31Å; K132-I154 HydrophobicContact CG-CD1 3.63Å |
| 133 | T | 79.6 | Confident | 88.4 | Confident | 55 Ų | 55 | 28.1 Ų | 28.1 | 34% | 0.337 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -89.7 | -27.5 | -171.4 | 45.7 | 0 | 0 | 0 | 0 | 113 | T129 Y130 Y381 P386 | T129-T133 PolarHBondContact O-N 3.16Å; T129-T133 PolarHBondContact O-OG1 2.91Å; Y130-T133 PolarHBondContact O-N 3.07Å; Y130-T133 PolarHBondContact O-OG1 2.95Å; Y130-T133 VanDerWaalsContact O-OG1 3.05Å; T133-Y381 HydrophobicContact CG2-CE1 4.28Å; T133-P386 WeakPolarHBondContact OG1-CD 3.35Å; T133-P386 WeakPolarHBondContact OG1-CG 3.18Å |
| 134 | T | 83.6 | Confident | 88.5 | Confident | 31 Ų | 31 | 27.9 Ų | 27.9 | 19% | 0.19 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -121.8 | -15.3 | -175.3 | 64.2 | 0 | 0 | 0 | 0 | 114.8 | Y130 K138 V385 | Y130-T134 HydrophobicContact CD1-CG2 4.07Å; Y130-T134 WeakPolarHBondContact CD1-OG1 3.36Å; Y130-T134 HydrophobicContact CE1-CG2 3.63Å; Y130-T134 WeakPolarHBondContact CE1-OG1 3.13Å; Y130-T134 PolarHBondContact O-N 2.66Å; Y130-T134 PolarHBondContact O-OG1 3.35Å; T134-K138 WeakPolarHBondContact O-CG 3.3Å; T134-K138 WeakPolarHBondContact OG1-CB 3.38Å; T134-V385 HydrophobicContact CG2-CB 4.43Å; T134-V385 HydrophobicContact CG2-CG1 3.5Å; T134-V385 VanDerWaalsContact CG2-CG1 3.5Å; T134-V385 HydrophobicContact CG2-CG2 4.1Å |
| 135 | G | 86.8 | Confident | 88.2 | Confident | 26 Ų | 26 | 27 Ų | 27 | 27% | 0.268 | 15% | 0.145 | S | C | . | . | trans | 106.5 | 145.3 | -174 | 0 | 0 | 0 | 0 | 0 | 113.1 | A131 N137 K138 | A131-G135 CarbonylContact O-C 3.51Å; A131-G135 VanDerWaalsContact O-C 3.29Å; A131-G135 WeakPolarHBondContact O-CA 3.43Å; A131-G135 PolarHBondContact O-N 3.17Å; G135-N137 PolarHBondContact O-N 3.45Å; G135-K138 WeakPolarHBondContact O-CB 3.36Å; G135-K138 PolarHBondContact O-N 3.46Å | ||
| 136 | Q | 90.4 | Very high | 87.9 | Confident | 76 Ų | 76 | 27.1 Ų | 27.1 | 36% | 0.355 | 15% | 0.145 | S | C | . | . | G | 310 helix | trans | -64.8 | -27.7 | -174.1 | -47.6 | -167.9 | 48.9 | 0 | 0 | 113 | A131 K138 I154 Q155 | A131-Q136 HydrophobicContact CB-CG 4.36Å; Q136-K138 VanDerWaalsContact C-N 3.25Å; Q136-K138 PolarHBondContact O-N 2.7Å; Q136-I154 HydrophobicContact CG-CG2 4.18Å; Q136-Q155 PolarHBondContact OE1-O 2.61Å; Q136-Q155 VanDerWaalsContact OE1-O 3.07Å |
| 137 | N | 90.1 | Very high | 88.1 | Confident | 95 Ų | 95 | 26.7 Ų | 26.7 | 51% | 0.508 | 14% | 0.143 | S | C | . | . | G | 310 helix | trans | -75.9 | -6.4 | 175 | 66.2 | -19.8 | 0 | 0 | 0 | 114 | G135 N158 | G135-N137 PolarHBondContact O-N 3.45Å; N137-N158 PolarHBondContact O-ND2 3.12Å |
| 138 | K | 92.2 | Very high | 87.9 | Confident | 62 Ų | 62 | 29.8 Ų | 29.8 | 27% | 0.27 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -89.8 | -4.9 | 176 | -60.1 | -53.2 | -171.3 | -176.6 | 0 | 113.9 | Y130 T134 G135 Q136 G182 V183 N184 F185 | Y130-K138 HydrophobicContact CE1-CB 4.29Å; T134-K138 WeakPolarHBondContact O-CG 3.3Å; T134-K138 WeakPolarHBondContact OG1-CB 3.38Å; G135-K138 WeakPolarHBondContact O-CB 3.36Å; G135-K138 PolarHBondContact O-N 3.46Å; Q136-K138 VanDerWaalsContact C-N 3.25Å; Q136-K138 PolarHBondContact O-N 2.7Å; K138-G182 WeakPolarHBondContact CD-O 3.18Å; K138-G182 PolarHBondContact NZ-O 3.49Å; K138-V183 WeakPolarHBondContact O-CG1 3.3Å; K138-N184 PolarHBondContact O-N 3.47Å; K138-F185 PolarHBondContact O-N 2.83Å; K138-F185 VanDerWaalsContact O-N 3.08Å |
| 139 | V | 92.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 143.1 | 178.5 | -175.3 | 0 | 0 | 0 | 0 | 109.4 | W127 Y130 A131 L156 N158 F185 | W127-V139 HydrophobicContact CB-CG1 3.89Å; Y130-V139 HydrophobicContact CD1-CG2 3.46Å; Y130-V139 VanDerWaalsContact CD1-CG2 3.46Å; Y130-V139 HydrophobicContact CE1-CG2 4.39Å; Y130-V139 HydrophobicContact CG-CG2 4.07Å; A131-V139 HydrophobicContact CB-CG2 4.15Å; V139-L156 HydrophobicContact CB-CD2 3.87Å; V139-L156 HydrophobicContact CG1-CD1 3.9Å; V139-L156 HydrophobicContact CG1-CD2 4.09Å; V139-N158 WeakPolarHBondContact O-CB 3.48Å; V139-N158 PolarHBondContact O-ND2 2.64Å; V139-F185 CarbonylContact C-O 3.53Å; V139-F185 WeakPolarHBondContact CA-O 3.46Å; V139-F185 HydrophobicContact CG1-CD1 3.89Å; V139-F185 HydrophobicContact CG2-CB 4.49Å; V139-F185 HydrophobicContact CG2-CD1 4.45Å |
| 140 | A | 94.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 153.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | N158 W178 V183 F185 V186 L187 | A140-N158 CarbonylContact C-O 3.59Å; A140-N158 WeakPolarHBondContact CA-O 3.36Å; A140-N158 HydrophobicContact CB-CB 3.53Å; A140-N158 WeakPolarHBondContact CB-O 3.27Å; A140-W178 HydrophobicContact CB-CD2 3.86Å; A140-W178 HydrophobicContact CB-CE3 3.53Å; A140-W178 HydrophobicContact CB-CG 4.43Å; A140-W178 HydrophobicContact CB-CH2 4.25Å; A140-W178 HydrophobicContact CB-CZ3 3.73Å; A140-V183 HydrophobicContact CB-CG1 3.78Å; A140-V183 HydrophobicContact CB-CG2 4.44Å; A140-F185 PolarHBondContact N-O 2.96Å; A140-V186 HydrophobicContact CB-CG2 4.46Å; A140-V186 WeakPolarHBondContact O-CA 3.45Å; A140-L187 PolarHBondContact O-N 2.8Å |
| 141 | C | 92 | Very high | 88.2 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.007 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 137.7 | 173.6 | -58.9 | 0 | 0 | 0 | 0 | 111.8 | W144 C147 N158 V159 L160 L187 | C141-W144 HydrophobicContact CB-CB 4.45Å; C141-C147 HydrophobicContact CB-CB 3.28Å; C141-C147 WeakPolarHBondContact CB-SG 3.38Å; C141-C147 WeakPolarHBondContact SG-CB 3.36Å; C141-C147 CovalentContact SG-SG 2.04Å; C141-C147 PolarHBondContact SG-SG 2.84Å; C141-N158 PolarHBondContact N-O 2.89Å; C141-V159 CarbonylContact O-C 3.55Å; C141-V159 WeakPolarHBondContact O-CA 3.46Å; C141-L160 PolarHBondContact O-N 2.86Å; C141-L187 CarbonylContact C-O 3.49Å; C141-L187 WeakPolarHBondContact CA-O 3.16Å; C141-L187 HydrophobicContact CB-CB 4.36Å |
| 142 | I | 89.9 | Confident | 88.3 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 114.7 | 166.8 | -60.3 | -160.9 | 0 | 0 | 0 | 108.9 | W144 L160 K171 K174 I175 W178 L187 F188 Y189 | I142-W144 PolarHBondContact O-N 3.2Å; I142-L160 WeakPolarHBondContact CA-O 3.35Å; I142-L160 HydrophobicContact CD1-CD2 4.22Å; I142-L160 HydrophobicContact CG1-CB 4.22Å; I142-L160 HydrophobicContact CG1-CD2 4.49Å; I142-L160 HydrophobicContact CG2-CD2 4.11Å; I142-K171 HydrophobicContact CD1-CB 3.96Å; I142-K171 HydrophobicContact CD1-CG 4.39Å; I142-K171 WeakPolarHBondContact CD1-O 3.33Å; I142-K171 HydrophobicContact CG2-CB 4.11Å; I142-K171 HydrophobicContact CG2-CD 3.67Å; I142-K171 HydrophobicContact CG2-CG 3.76Å; I142-K174 HydrophobicContact CD1-CB 4.4Å; I142-I175 HydrophobicContact CD1-CD1 3.96Å; I142-I175 HydrophobicContact CD1-CG1 3.59Å; I142-I175 HydrophobicContact CG1-CG1 4.3Å; I142-W178 HydrophobicContact CD1-CZ3 3.91Å; I142-W178 HydrophobicContact CG1-CH2 4.24Å; I142-W178 HydrophobicContact CG1-CZ3 3.59Å; I142-L187 PolarHBondContact N-O 3.32Å; I142-F188 HydrophobicContact CB-CD2 3.82Å; I142-F188 HydrophobicContact CB-CG 4.47Å; I142-F188 HydrophobicContact CG2-CD2 3.67Å; I142-F188 HydrophobicContact CG2-CE2 3.9Å; I142-F188 WeakPolarHBondContact O-CA 3.24Å; I142-Y189 PolarHBondContact O-N 2.69Å |
| 143 | S | 84.6 | Confident | 88.3 | Confident | 10 Ų | 10 | 36.4 Ų | 36.4 | 7% | 0.07 | 21% | 0.21 | C | C | . | . | S | Bend | trans | 59.3 | 7.8 | 171.8 | -51.5 | 0 | 0 | 0 | 0 | 115.4 | L160 S161 K171 Y189 | S143-L160 PolarHBondContact N-O 3.21Å; S143-S161 PolarHBondContact OG-O 3.08Å; S143-K171 PolarHBondContact OG-NZ 2.77Å; S143-Y189 VanDerWaalsContact O-CD1 3.26Å; S143-Y189 WeakPolarHBondContact O-CD1 3.47Å |
| 144 | W | 88.2 | Confident | 88.8 | Confident | 8 Ų | 8 | 34.5 Ų | 34.5 | 3% | 0.03 | 20% | 0.198 | C | C | . | . | trans | -80.8 | 136.1 | -176.7 | -159.2 | -72.4 | 0 | 0 | 0 | 112.4 | L30 H80 M83 I84 C141 I142 G146 C147 L187 F188 | L30-W144 HydrophobicContact CD2-CH2 3.67Å; L30-W144 HydrophobicContact CD2-CZ2 4.15Å; L30-W144 HydrophobicContact CD2-CZ3 4.42Å; L30-W144 HydrophobicContact CG-CH2 3.72Å; L30-W144 HydrophobicContact CG-CZ3 4.09Å; H80-W144 AromaticContact CD2-CE2 3.86Å; H80-W144 AromaticContact CD2-CZ2 3.78Å; M83-W144 HydrophobicContact CE-CH2 3.72Å; M83-W144 HydrophobicContact CE-CZ2 3.95Å; I84-W144 HydrophobicContact CG2-CZ2 3.79Å; I84-W144 VanDerWaalsContact CG2-NE1 3.3Å; C141-W144 HydrophobicContact CB-CB 4.45Å; I142-W144 PolarHBondContact O-N 3.2Å; W144-G146 PolarHBondContact O-N 2.81Å; W144-C147 PolarHBondContact O-N 2.9Å; W144-L187 HydrophobicContact CB-CB 3.96Å; W144-L187 HydrophobicContact CD2-CB 3.84Å; W144-L187 HydrophobicContact CD2-CD2 3.83Å; W144-L187 HydrophobicContact CD2-CG 4.29Å; W144-L187 HydrophobicContact CE3-CB 3.8Å; W144-L187 HydrophobicContact CE3-CD2 3.93Å; W144-L187 HydrophobicContact CE3-CG 4.47Å; W144-L187 HydrophobicContact CG-CB 3.92Å; W144-L187 HydrophobicContact CG-CD1 4.32Å; W144-L187 HydrophobicContact CG-CD2 4.44Å; W144-L187 HydrophobicContact CG-CG 4.47Å; W144-L187 HydrophobicContact CH2-CD2 4Å; W144-L187 HydrophobicContact CZ2-CD2 3.92Å; W144-L187 HydrophobicContact CZ3-CD2 4Å; W144-F188 WeakPolarHBondContact CZ3-O 3.49Å | ||
| 145 | L | 83.9 | Confident | 89.1 | Confident | 37 Ų | 37 | 38.9 Ų | 38.9 | 19% | 0.194 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | 115.3 | -178.5 | 177.2 | 61.2 | 0 | 0 | 0 | 113.2 | F77 H80 I81 F110 M117 | F77-L145 HydrophobicContact CD1-CD1 3.79Å; F77-L145 HydrophobicContact CD1-CD2 3.63Å; F77-L145 HydrophobicContact CD1-CG 4.37Å; F77-L145 HydrophobicContact CE1-CD1 3.71Å; F77-L145 HydrophobicContact CE1-CD2 4.34Å; F77-L145 HydrophobicContact CG-CD2 4.45Å; H80-L145 HydrophobicContact CB-CD2 4.03Å; I81-L145 HydrophobicContact CD1-CD2 3.92Å; I81-L145 HydrophobicContact CD1-CG 4.33Å; I81-L145 HydrophobicContact CG1-CD2 3.99Å; F110-L145 HydrophobicContact CE1-CD1 4.47Å; F110-L145 HydrophobicContact CE1-CD2 4.31Å; M117-L145 HydrophobicContact CE-CD1 4.25Å; M117-L145 HydrophobicContact CE-CG 4.18Å; M117-L145 HydrophobicContact SD-CD1 4.26Å |
| 146 | G | 84.7 | Confident | 89.3 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | M117 W118 W127 W144 D148 A149 | M117-G146 WeakPolarHBondContact SD-CA 3.1Å; W118-G146 PolarHBondContact NE1-O 3.07Å; W127-G146 WeakPolarHBondContact CZ2-O 3.23Å; W144-G146 PolarHBondContact O-N 2.81Å; G146-D148 PolarHBondContact O-N 2.74Å; G146-A149 PolarHBondContact O-N 2.91Å |
| 147 | C | 87.6 | Confident | 89 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 3% | 0.027 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -21.7 | 170.7 | -70.5 | 0 | 0 | 0 | 0 | 113.5 | C141 W144 L156 | C141-C147 HydrophobicContact CB-CB 3.28Å; C141-C147 WeakPolarHBondContact CB-SG 3.38Å; C141-C147 WeakPolarHBondContact SG-CB 3.36Å; C141-C147 CovalentContact SG-SG 2.04Å; C141-C147 PolarHBondContact SG-SG 2.84Å; W144-C147 PolarHBondContact O-N 2.9Å; C147-L156 HydrophobicContact CB-CD1 4.16Å |
| 148 | D | 84.4 | Confident | 89.1 | Confident | 66 Ų | 66 | 36.5 Ų | 36.5 | 35% | 0.353 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -18.3 | 175.9 | 68.2 | -52 | 0 | 0 | 0 | 112.6 | Q115 G146 V159 | Q115-D148 PolarHBondContact NE2-O 2.98Å; G146-D148 PolarHBondContact O-N 2.74Å; D148-V159 HydrophobicContact CB-CG1 4.44Å |
| 149 | A | 88.2 | Confident | 88.9 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -97 | 124.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | M117 W118 G146 Y151 | M117-A149 HydrophobicContact CG-CB 3.95Å; M117-A149 HydrophobicContact SD-CB 4.4Å; W118-A149 VanDerWaalsContact CD1-O 3.23Å; W118-A149 PolarHBondContact NE1-O 2.96Å; G146-A149 PolarHBondContact O-N 2.91Å; A149-Y151 PolarHBondContact O-N 2.75Å |
| 150 | P | 90.1 | Very high | 88.4 | Confident | 45 Ų | 45 | 36.6 Ų | 36.6 | 29% | 0.292 | 21% | 0.208 | S | C | . | . | trans | -57.7 | 133.2 | 178.1 | -27.3 | 33.9 | 0 | 0 | 0 | 113.4 | I154 Q155 | P150-I154 VanDerWaalsContact CA-O 3.29Å; P150-I154 WeakPolarHBondContact CA-O 3.39Å; P150-Q155 HydrophobicContact CG-CB 4.36Å; P150-Q155 HydrophobicContact CG-CG 4.27Å | ||
| 151 | Y | 92.6 | Very high | 87.3 | Confident | 8 Ų | 8 | 39 Ų | 39 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -115.9 | 114.1 | 175.2 | 172.8 | -89.8 | 0 | 0 | 0 | 109.6 | W118 G123 E124 P125 A128 A149 G153 I154 | W118-Y151 HydrophobicContact CB-CD2 4.13Å; W118-Y151 AromaticContact CD2-CD2 3.86Å; W118-Y151 HydrophobicContact CD2-CD2 3.86Å; W118-Y151 AromaticContact CE3-CD2 3.85Å; W118-Y151 HydrophobicContact CE3-CD2 3.85Å; W118-Y151 HydrophobicContact CE3-CE2 4.43Å; W118-Y151 AromaticContact CG-CD2 3.96Å; W118-Y151 HydrophobicContact CG-CD2 3.96Å; G123-Y151 WeakPolarHBondContact O-CE2 3.39Å; E124-Y151 WeakPolarHBondContact CA-OH 3.41Å; E124-Y151 HydrophobicContact CB-CE1 4.4Å; E124-Y151 VanDerWaalsContact CB-OH 3.31Å; E124-Y151 WeakPolarHBondContact CB-OH 3.49Å; E124-Y151 HydrophobicContact CG-CE1 3.67Å; E124-Y151 WeakPolarHBondContact CG-OH 3.37Å; E124-Y151 VanDerWaalsContact OE2-CE1 3.25Å; E124-Y151 WeakPolarHBondContact OE2-CE1 3.3Å; E124-Y151 PolarHBondContact OE2-OH 2.82Å; P125-Y151 HydrophobicContact CG-CD2 4.33Å; P125-Y151 HydrophobicContact CG-CG 4.24Å; A128-Y151 HydrophobicContact CB-CD1 3.45Å; A128-Y151 VanDerWaalsContact CB-CD1 3.45Å; A128-Y151 HydrophobicContact CB-CE1 3.86Å; A128-Y151 HydrophobicContact CB-CG 4.27Å; A149-Y151 PolarHBondContact O-N 2.75Å; Y151-G153 PolarHBondContact O-N 2.79Å; Y151-G153 VanDerWaalsContact O-N 3.09Å; Y151-I154 PolarHBondContact N-O 2.8Å; Y151-I154 WeakPolarHBondContact O-CB 3.35Å; Y151-I154 PolarHBondContact O-N 3.12Å |
| 152 | K | 91.4 | Very high | 85.8 | Confident | 168 Ų | 168 | 41.6 Ų | 41.6 | 73% | 0.73 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 45.6 | 42.3 | 177.3 | -62 | -175.6 | -179.1 | 165.6 | 0 | 114.4 | ||
| 153 | G | 86.7 | Confident | 83.9 | Confident | 71 Ų | 71 | 42.3 Ų | 42.3 | 73% | 0.732 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 88.2 | -3.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y151 | Y151-G153 PolarHBondContact O-N 2.79Å; Y151-G153 VanDerWaalsContact O-N 3.09Å |
| 154 | I | 90.7 | Very high | 81.9 | Confident | 14 Ų | 14 | 44.7 Ų | 44.7 | 7% | 0.072 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -89.6 | 128.4 | 172.8 | -57.1 | 166.1 | 0 | 0 | 0 | 108.3 | W127 A128 A131 K132 Q136 P150 Y151 L156 | W127-I154 HydrophobicContact CE3-CG2 4.5Å; W127-I154 HydrophobicContact CZ3-CB 4.43Å; W127-I154 HydrophobicContact CZ3-CG2 3.91Å; A128-I154 HydrophobicContact CB-CD1 3.91Å; A131-I154 HydrophobicContact CB-CG2 3.78Å; K132-I154 HydrophobicContact CD-CD1 4.31Å; K132-I154 HydrophobicContact CG-CD1 3.63Å; Q136-I154 HydrophobicContact CG-CG2 4.18Å; P150-I154 VanDerWaalsContact CA-O 3.29Å; P150-I154 WeakPolarHBondContact CA-O 3.39Å; Y151-I154 PolarHBondContact N-O 2.8Å; Y151-I154 WeakPolarHBondContact O-CB 3.35Å; Y151-I154 PolarHBondContact O-N 3.12Å; I154-L156 HydrophobicContact CG2-CD2 4.48Å |
| 155 | Q | 90.6 | Very high | 79.3 | Confident | 124 Ų | 124 | 47.2 Ų | 47.2 | 58% | 0.579 | 27% | 0.274 | S | S | * | . | trans | -137.1 | 109.6 | 177.2 | -178.9 | 174 | -4.7 | 0 | 0 | 108.8 | Q136 P150 | Q136-Q155 PolarHBondContact OE1-O 2.61Å; Q136-Q155 VanDerWaalsContact OE1-O 3.07Å; P150-Q155 HydrophobicContact CG-CB 4.36Å; P150-Q155 HydrophobicContact CG-CG 4.27Å | ||
| 156 | L | 89.5 | Confident | 77.8 | Confident | 12 Ų | 12 | 46.2 Ų | 46.2 | 6% | 0.063 | 27% | 0.271 | C | S | . | . | trans | -67.3 | 137 | -177.5 | -61.3 | -177.8 | 0 | 0 | 0 | 111.3 | W127 A131 V139 C147 I154 V159 | W127-L156 HydrophobicContact CB-CD1 4.4Å; W127-L156 HydrophobicContact CD2-CD1 4.02Å; W127-L156 HydrophobicContact CE3-CD1 3.73Å; W127-L156 HydrophobicContact CE3-CD2 4.09Å; W127-L156 HydrophobicContact CE3-CG 3.86Å; W127-L156 HydrophobicContact CG-CD1 4.35Å; W127-L156 HydrophobicContact CZ3-CD1 4.29Å; W127-L156 HydrophobicContact CZ3-CD2 4.44Å; W127-L156 HydrophobicContact CZ3-CG 4.03Å; A131-L156 HydrophobicContact CB-CD2 4.2Å; V139-L156 HydrophobicContact CB-CD2 3.87Å; V139-L156 HydrophobicContact CG1-CD1 3.9Å; V139-L156 HydrophobicContact CG1-CD2 4.09Å; C147-L156 HydrophobicContact CB-CD1 4.16Å; I154-L156 HydrophobicContact CG2-CD2 4.48Å; L156-V159 HydrophobicContact CB-CG2 3.62Å | ||
| 157 | T | 85.8 | Confident | 77.1 | Confident | 103 Ų | 103 | 49.6 Ų | 49.6 | 63% | 0.632 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -89.9 | -34.2 | 176.8 | 52.8 | 0 | 0 | 0 | 0 | 112.5 | V159 | T157-V159 VanDerWaalsContact C-N 3.28Å; T157-V159 PolarHBondContact O-N 3.13Å |
| 158 | N | 91 | Very high | 76.9 | Confident | 31 Ų | 31 | 49.9 Ų | 49.9 | 17% | 0.166 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 62.8 | -179.5 | -60.7 | -45.4 | 0 | 0 | 0 | 111.5 | N137 V139 A140 C141 W178 V183 | N137-N158 PolarHBondContact O-ND2 3.12Å; V139-N158 WeakPolarHBondContact O-CB 3.48Å; V139-N158 PolarHBondContact O-ND2 2.64Å; A140-N158 CarbonylContact C-O 3.59Å; A140-N158 WeakPolarHBondContact CA-O 3.36Å; A140-N158 HydrophobicContact CB-CB 3.53Å; A140-N158 WeakPolarHBondContact CB-O 3.27Å; C141-N158 PolarHBondContact N-O 2.89Å; N158-W178 VanDerWaalsContact C-CZ2 3.49Å; N158-W178 HydrophobicContact CB-CD2 4.32Å; N158-W178 HydrophobicContact CB-CH2 4.42Å; N158-W178 HydrophobicContact CB-CZ2 3.76Å; N158-W178 WeakPolarHBondContact O-CH2 3.2Å; N158-W178 PolarHBondContact OD1-NE1 3.01Å; N158-V183 WeakPolarHBondContact ND2-CG2 3.39Å |
| 159 | V | 87.9 | Confident | 76.7 | Confident | 37 Ų | 37 | 47.5 Ų | 47.5 | 22% | 0.224 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 137.3 | 179.3 | -176.4 | 0 | 0 | 0 | 0 | 110.5 | C141 D148 L156 T157 | C141-V159 CarbonylContact O-C 3.55Å; C141-V159 WeakPolarHBondContact O-CA 3.46Å; D148-V159 HydrophobicContact CB-CG1 4.44Å; L156-V159 HydrophobicContact CB-CG2 3.62Å; T157-V159 VanDerWaalsContact C-N 3.28Å; T157-V159 PolarHBondContact O-N 3.13Å |
| 160 | L | 82.8 | Confident | 76.4 | Confident | 28 Ų | 28 | 51.2 Ų | 51.2 | 15% | 0.147 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 112.1 | 160.2 | -178.9 | 64.6 | 0 | 0 | 0 | 106.8 | C141 I142 S143 A166 F170 K171 K174 W178 | C141-L160 PolarHBondContact O-N 2.86Å; I142-L160 WeakPolarHBondContact CA-O 3.35Å; I142-L160 HydrophobicContact CD1-CD2 4.22Å; I142-L160 HydrophobicContact CG1-CB 4.22Å; I142-L160 HydrophobicContact CG1-CD2 4.49Å; I142-L160 HydrophobicContact CG2-CD2 4.11Å; S143-L160 PolarHBondContact N-O 3.21Å; L160-A166 HydrophobicContact CD2-CB 4.4Å; L160-F170 HydrophobicContact CD1-CE1 4.25Å; L160-F170 HydrophobicContact CD2-CD1 4.18Å; L160-F170 HydrophobicContact CD2-CE1 3.76Å; L160-K171 HydrophobicContact CD2-CG 4.06Å; L160-K174 HydrophobicContact CB-CD 4.45Å; L160-K174 HydrophobicContact CD2-CD 4.18Å; L160-W178 HydrophobicContact CB-CH2 4.3Å |
| 161 | S | 71.3 | Confident | 76.2 | Confident | 49 Ų | 49 | 49.3 Ų | 49.3 | 34% | 0.343 | 28% | 0.283 | S | S | . | . | trans | -61.8 | 178.7 | 177.8 | -55.2 | 0 | 0 | 0 | 0 | 112.4 | S143 S163 | S143-S161 PolarHBondContact OG-O 3.08Å; S161-S163 PolarHBondContact O-N 2.89Å | ||
| 162 | H | 60.5 | Low | 76.1 | Confident | 57 Ų | 57 | 48.9 Ų | 48.9 | 26% | 0.264 | 28% | 0.282 | S | S | . | . | trans | -74.9 | 52.9 | -170.7 | -175.9 | 76.2 | 0 | 0 | 0 | 113.9 | V164 Y189 E598 | H162-V164 PolarHBondContact O-N 3.07Å; H162-Y189 AromaticContact CE1-CE1 3.54Å; H162-Y189 AromaticContact ND1-CD1 3.79Å; H162-Y189 AromaticContact ND1-CE1 3.62Å; H162-E598 VanDerWaalsContact CA-OE1 3.3Å; H162-E598 WeakPolarHBondContact CA-OE1 3.33Å; H162-E598 WeakPolarHBondContact CB-OE2 3.42Å; H162-E598 PolarHBondContact N-OE1 3.19Å; H162-E598 VanDerWaalsContact O-CG 3.26Å; H162-E598 WeakPolarHBondContact O-CG 3.44Å | ||
| 163 | S | 48.7 | Very low | 76 | Confident | 14 Ų | 14 | 43.4 Ų | 43.4 | 10% | 0.098 | 26% | 0.26 | C | S | . | . | trans | -68.9 | 123.4 | 175.1 | 178.5 | 0 | 0 | 0 | 0 | 111.4 | S161 S165 A166 K171 E598 | S161-S163 PolarHBondContact O-N 2.89Å; S163-S165 PolarHBondContact OG-N 3.28Å; S163-S165 PolarHBondContact OG-OG 3.48Å; S163-A166 PolarHBondContact OG-N 3.45Å; S163-K171 WeakPolarHBondContact O-CE 3.45Å; S163-K171 PolarHBondContact O-NZ 3.27Å; S163-E598 PolarHBondContact N-OE1 3.29Å | ||
| 164 | V | 42.6 | Very low | 76.1 | Confident | 61 Ų | 61 | 42.9 Ų | 42.9 | 37% | 0.37 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -80 | -14.3 | 171.3 | -66.8 | 0 | 0 | 0 | 0 | 113.5 | H162 | H162-V164 PolarHBondContact O-N 3.07Š|
| 165 | S | 33.6 | Very low | 76.3 | Confident | 61 Ų | 61 | 42.2 Ų | 42.2 | 43% | 0.427 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -82.7 | -28.2 | 168.8 | 46.9 | 0 | 0 | 0 | 0 | 113.7 | S163 T167 Q642 | S163-S165 PolarHBondContact OG-N 3.28Å; S163-S165 PolarHBondContact OG-OG 3.48Å; S165-T167 PolarHBondContact O-N 2.98Å; S165-Q642 WeakPolarHBondContact OG-CG 3.01Å |
| 166 | A | 53.3 | Low | 76.5 | Confident | 15 Ų | 15 | 37.1 Ų | 37.1 | 12% | 0.124 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -60.4 | 106.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | L160 S163 F170 K171 | L160-A166 HydrophobicContact CD2-CB 4.4Å; S163-A166 PolarHBondContact OG-N 3.45Å; A166-F170 HydrophobicContact CB-CD1 3.91Å; A166-F170 HydrophobicContact CB-CE1 4.33Å; A166-K171 HydrophobicContact CB-CD 4.4Å; A166-K171 HydrophobicContact CB-CG 4.18Å; A166-K171 WeakPolarHBondContact O-CE 3.5Å |
| 167 | T | 70.3 | Confident | 76.6 | Confident | 72 Ų | 72 | 40.7 Ų | 40.7 | 44% | 0.442 | 23% | 0.23 | S | C | . | . | trans | -60.3 | 154.2 | -174.9 | 59.1 | 0 | 0 | 0 | 0 | 110 | S165 T169 F170 K171 | S165-T167 PolarHBondContact O-N 2.98Å; T167-T169 PolarHBondContact O-N 3.17Å; T167-F170 PolarHBondContact O-N 2.83Å; T167-F170 VanDerWaalsContact O-N 3.13Å; T167-F170 VanDerWaalsContact OG1-CB 3.31Å; T167-F170 WeakPolarHBondContact OG1-CB 3.38Å; T167-F170 PolarHBondContact OG1-N 3.38Å; T167-F170 VanDerWaalsContact OG1-N 3.09Å; T167-K171 WeakPolarHBondContact O-CG 3.49Å; T167-K171 PolarHBondContact O-N 2.88Å | ||
| 168 | W | 82.1 | Confident | 77.1 | Confident | 11 Ų | 11 | 37 Ų | 37 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -52.2 | -45.4 | 173.8 | 176.3 | -91.6 | 0 | 0 | 0 | 110.8 | L33 F170 K171 V172 F188 Y190 K217 L221 | L33-W168 HydrophobicContact CD2-CH2 4.39Å; L33-W168 HydrophobicContact CD2-CZ3 4.38Å; W168-F170 PolarHBondContact O-N 3.28Å; W168-K171 WeakPolarHBondContact O-CB 3.37Å; W168-K171 PolarHBondContact O-N 2.86Å; W168-V172 HydrophobicContact CD2-CG2 4.39Å; W168-V172 HydrophobicContact CG-CG2 4.44Å; W168-V172 HydrophobicContact CZ2-CG2 4.28Å; W168-V172 WeakPolarHBondContact O-CG2 3.45Å; W168-V172 PolarHBondContact O-N 2.83Å; W168-F188 HydrophobicContact CD2-CZ 4.24Å; W168-F188 HydrophobicContact CE3-CE1 4.13Å; W168-F188 AromaticContact CE3-CZ 3.64Å; W168-F188 HydrophobicContact CE3-CZ 3.64Å; W168-F188 AromaticContact CH2-CE1 3.6Å; W168-F188 HydrophobicContact CH2-CE1 3.6Å; W168-F188 AromaticContact CH2-CZ 3.94Å; W168-F188 HydrophobicContact CH2-CZ 3.94Å; W168-F188 HydrophobicContact CZ2-CE1 4.03Å; W168-F188 HydrophobicContact CZ2-CZ 4.5Å; W168-F188 AromaticContact CZ3-CE1 3.66Å; W168-F188 HydrophobicContact CZ3-CE1 3.66Å; W168-F188 AromaticContact CZ3-CZ 3.48Å; W168-F188 HydrophobicContact CZ3-CZ 3.48Å; W168-F188 VanDerWaalsContact CZ3-CZ 3.48Å; W168-Y190 HydrophobicContact CE3-CD1 4.3Å; W168-Y190 AromaticContact CE3-CD2 3.88Å; W168-Y190 HydrophobicContact CE3-CD2 3.88Å; W168-Y190 HydrophobicContact CE3-CE1 4.49Å; W168-Y190 HydrophobicContact CE3-CE2 4.11Å; W168-Y190 HydrophobicContact CE3-CG 4.01Å; W168-Y190 HydrophobicContact CZ3-CD1 4.06Å; W168-Y190 HydrophobicContact CZ3-CD2 4.12Å; W168-Y190 AromaticContact CZ3-CG 3.8Å; W168-Y190 HydrophobicContact CZ3-CG 3.8Å; W168-K217 HydrophobicContact CB-CD 4.17Å; W168-K217 HydrophobicContact CB-CG 4.07Å; W168-K217 HydrophobicContact CD2-CB 3.66Å; W168-K217 HydrophobicContact CD2-CD 4.17Å; W168-K217 HydrophobicContact CD2-CG 3.96Å; W168-K217 VanDerWaalsContact CE2-O 3.31Å; W168-K217 HydrophobicContact CE3-CB 4.2Å; W168-K217 HydrophobicContact CE3-CD 4.25Å; W168-K217 HydrophobicContact CE3-CG 4.5Å; W168-K217 HydrophobicContact CG-CB 3.85Å; W168-K217 HydrophobicContact CG-CD 4.11Å; W168-K217 HydrophobicContact CG-CG 3.69Å; W168-K217 HydrophobicContact CZ2-CB 4.03Å; W168-K217 WeakPolarHBondContact CZ2-O 2.97Å; W168-K217 VanDerWaalsContact NE1-C 3.32Å; W168-K217 PolarHBondContact NE1-O 3.43Å; W168-L221 HydrophobicContact CZ2-CB 4.08Å; W168-L221 HydrophobicContact CZ2-CD2 4.4Å |
| 169 | T | 80.3 | Confident | 77.2 | Confident | 15 Ų | 15 | 35.6 Ų | 35.6 | 9% | 0.092 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -49.3 | -56.2 | 171.9 | -34.4 | 0 | 0 | 0 | 0 | 112.9 | T167 K171 V172 N173 Y220 E506 | T167-T169 PolarHBondContact O-N 3.17Å; T169-K171 VanDerWaalsContact C-N 3.32Å; T169-K171 PolarHBondContact O-N 3.45Å; T169-V172 PolarHBondContact O-N 2.99Å; T169-N173 WeakPolarHBondContact O-CB 3.48Å; T169-N173 VanDerWaalsContact O-CG 3.22Å; T169-N173 PolarHBondContact O-N 3.39Å; T169-N173 PolarHBondContact O-OD1 3.04Å; T169-Y220 HydrophobicContact CG2-CE1 3.96Å; T169-Y220 HydrophobicContact CG2-CE2 4.5Å; T169-E506 WeakPolarHBondContact CB-OE2 3.38Å; T169-E506 HydrophobicContact CG2-CB 3.65Å; T169-E506 PolarHBondContact N-OE2 2.79Å; T169-E506 WeakPolarHBondContact OG1-CB 3.48Å; T169-E506 PolarHBondContact OG1-OE2 3.36Å |
| 170 | F | 82.4 | Confident | 77.4 | Confident | 80 Ų | 80 | 39.3 Ų | 39.3 | 35% | 0.351 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.1 | -41.2 | 179.5 | 173.8 | -96.9 | 0 | 0 | 0 | 111.8 | L160 A166 T167 W168 K174 | L160-F170 HydrophobicContact CD1-CE1 4.25Å; L160-F170 HydrophobicContact CD2-CD1 4.18Å; L160-F170 HydrophobicContact CD2-CE1 3.76Å; A166-F170 HydrophobicContact CB-CD1 3.91Å; A166-F170 HydrophobicContact CB-CE1 4.33Å; T167-F170 PolarHBondContact O-N 2.83Å; T167-F170 VanDerWaalsContact O-N 3.13Å; T167-F170 VanDerWaalsContact OG1-CB 3.31Å; T167-F170 WeakPolarHBondContact OG1-CB 3.38Å; T167-F170 PolarHBondContact OG1-N 3.38Å; T167-F170 VanDerWaalsContact OG1-N 3.09Å; W168-F170 PolarHBondContact O-N 3.28Å; F170-K174 WeakPolarHBondContact O-CB 3.34Å; F170-K174 PolarHBondContact O-N 2.73Å |
| 171 | K | 85.5 | Confident | 77.8 | Confident | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.017 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.4 | -48.4 | 176.6 | -69.6 | 179.3 | 177.9 | -176.7 | 0 | 110.8 | I142 S143 L160 S163 A166 T167 W168 T169 K174 I175 F188 | I142-K171 HydrophobicContact CD1-CB 3.96Å; I142-K171 HydrophobicContact CD1-CG 4.39Å; I142-K171 WeakPolarHBondContact CD1-O 3.33Å; I142-K171 HydrophobicContact CG2-CB 4.11Å; I142-K171 HydrophobicContact CG2-CD 3.67Å; I142-K171 HydrophobicContact CG2-CG 3.76Å; S143-K171 PolarHBondContact OG-NZ 2.77Å; L160-K171 HydrophobicContact CD2-CG 4.06Å; S163-K171 WeakPolarHBondContact O-CE 3.45Å; S163-K171 PolarHBondContact O-NZ 3.27Å; A166-K171 HydrophobicContact CB-CD 4.4Å; A166-K171 HydrophobicContact CB-CG 4.18Å; A166-K171 WeakPolarHBondContact O-CE 3.5Å; T167-K171 WeakPolarHBondContact O-CG 3.49Å; T167-K171 PolarHBondContact O-N 2.88Å; W168-K171 WeakPolarHBondContact O-CB 3.37Å; W168-K171 PolarHBondContact O-N 2.86Å; T169-K171 VanDerWaalsContact C-N 3.32Å; T169-K171 PolarHBondContact O-N 3.45Å; K171-K174 PolarHBondContact O-N 3.29Å; K171-I175 WeakPolarHBondContact O-CG1 3.43Å; K171-I175 PolarHBondContact O-N 2.81Å; K171-F188 HydrophobicContact CB-CE2 4.11Å; K171-F188 HydrophobicContact CB-CZ 4.08Å; K171-F188 HydrophobicContact CD-CE2 3.89Å; K171-F188 HydrophobicContact CD-CZ 4.4Å |
| 172 | V | 91.9 | Very high | 78.6 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.8 | -47.8 | 176.7 | 170.2 | 0 | 0 | 0 | 0 | 111.7 | W168 T169 K174 I175 I176 F188 Y220 L221 | W168-V172 HydrophobicContact CD2-CG2 4.39Å; W168-V172 HydrophobicContact CG-CG2 4.44Å; W168-V172 HydrophobicContact CZ2-CG2 4.28Å; W168-V172 WeakPolarHBondContact O-CG2 3.45Å; W168-V172 PolarHBondContact O-N 2.83Å; T169-V172 PolarHBondContact O-N 2.99Å; V172-K174 PolarHBondContact O-N 2.84Å; V172-I175 WeakPolarHBondContact O-CA 3.31Å; V172-I175 WeakPolarHBondContact O-CB 3.49Å; V172-I175 PolarHBondContact O-N 3.48Å; V172-I176 HydrophobicContact CG1-CG1 4.33Å; V172-I176 WeakPolarHBondContact O-CG1 3.49Å; V172-I176 PolarHBondContact O-N 2.89Å; V172-F188 HydrophobicContact CG2-CE1 4.48Å; V172-Y220 HydrophobicContact CB-CD1 4.02Å; V172-Y220 HydrophobicContact CB-CE1 3.89Å; V172-Y220 HydrophobicContact CG1-CD1 3.85Å; V172-Y220 HydrophobicContact CG1-CE1 3.68Å; V172-Y220 HydrophobicContact CG2-CD1 4.25Å; V172-L221 HydrophobicContact CG1-CD1 4.05Å; V172-L221 HydrophobicContact CG2-CB 4.07Å; V172-L221 HydrophobicContact CG2-CD1 4.13Å |
| 173 | N | 88.5 | Confident | 80.2 | Confident | 52 Ų | 52 | 39.7 Ų | 39.7 | 28% | 0.278 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.7 | -38.3 | 179.2 | -68.8 | 3.7 | 0 | 0 | 0 | 111.1 | T169 I176 N177 Y220 | T169-N173 WeakPolarHBondContact O-CB 3.48Å; T169-N173 VanDerWaalsContact O-CG 3.22Å; T169-N173 PolarHBondContact O-N 3.39Å; T169-N173 PolarHBondContact O-OD1 3.04Å; N173-I176 PolarHBondContact O-N 3.1Å; N173-N177 VanDerWaalsContact O-CB 3.28Å; N173-N177 WeakPolarHBondContact O-CB 3.37Å; N173-N177 PolarHBondContact O-N 2.94Å; N173-Y220 PolarHBondContact OD1-OH 2.97Å |
| 174 | K | 89.8 | Confident | 82.2 | Confident | 60 Ų | 60 | 39.7 Ų | 39.7 | 26% | 0.261 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.2 | -38.8 | 173.4 | -159.1 | 176.4 | -166.7 | -173.4 | 0 | 112.5 | I142 L160 F170 K171 V172 W178 | I142-K174 HydrophobicContact CD1-CB 4.4Å; L160-K174 HydrophobicContact CB-CD 4.45Å; L160-K174 HydrophobicContact CD2-CD 4.18Å; F170-K174 WeakPolarHBondContact O-CB 3.34Å; F170-K174 PolarHBondContact O-N 2.73Å; K171-K174 PolarHBondContact O-N 3.29Å; V172-K174 PolarHBondContact O-N 2.84Å; K174-W178 HydrophobicContact CD-CH2 3.8Å; K174-W178 HydrophobicContact CD-CZ2 3.85Å; K174-W178 HydrophobicContact CD-CZ3 4.19Å; K174-W178 HydrophobicContact CG-CD2 4.04Å; K174-W178 HydrophobicContact CG-CE3 4.07Å; K174-W178 HydrophobicContact CG-CH2 4.15Å; K174-W178 HydrophobicContact CG-CZ2 4.08Å; K174-W178 HydrophobicContact CG-CZ3 4.13Å; K174-W178 WeakPolarHBondContact O-CB 3.45Å; K174-W178 PolarHBondContact O-N 2.84Å |
| 175 | I | 93.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.8 | -49.7 | 173.1 | -68 | 170.5 | 0 | 0 | 0 | 110.9 | I29 I142 K171 V172 N177 W178 L179 V186 F188 | I29-I175 HydrophobicContact CD1-CG2 3.99Å; I29-I175 HydrophobicContact CG1-CG2 4.43Å; I142-I175 HydrophobicContact CD1-CD1 3.96Å; I142-I175 HydrophobicContact CD1-CG1 3.59Å; I142-I175 HydrophobicContact CG1-CG1 4.3Å; K171-I175 WeakPolarHBondContact O-CG1 3.43Å; K171-I175 PolarHBondContact O-N 2.81Å; V172-I175 WeakPolarHBondContact O-CA 3.31Å; V172-I175 WeakPolarHBondContact O-CB 3.49Å; V172-I175 PolarHBondContact O-N 3.48Å; I175-N177 PolarHBondContact O-N 3.18Å; I175-W178 PolarHBondContact O-N 3.17Å; I175-L179 HydrophobicContact CG2-CD1 3.63Å; I175-L179 HydrophobicContact CG2-CG 4.3Å; I175-L179 WeakPolarHBondContact O-CB 3.22Å; I175-L179 VanDerWaalsContact O-CG 3.23Å; I175-L179 WeakPolarHBondContact O-CG 3.32Å; I175-L179 PolarHBondContact O-N 2.99Å; I175-V186 HydrophobicContact CD1-CG1 4.09Å; I175-V186 HydrophobicContact CG1-CG1 3.86Å; I175-V186 HydrophobicContact CG2-CG1 4.12Å; I175-V186 HydrophobicContact CG2-CG2 4.4Å; I175-F188 HydrophobicContact CD1-CB 3.97Å; I175-F188 HydrophobicContact CD1-CD1 3.51Å; I175-F188 HydrophobicContact CD1-CE1 4.11Å; I175-F188 HydrophobicContact CD1-CG 3.76Å |
| 176 | I | 95.2 | Very high | 87.4 | Confident | 18 Ų | 18 | 33.9 Ų | 33.9 | 9% | 0.092 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.8 | -49.7 | 178.2 | -61.2 | -57.2 | 0 | 0 | 0 | 110.5 | V172 N173 W178 L179 M180 L225 A228 L230 | V172-I176 HydrophobicContact CG1-CG1 4.33Å; V172-I176 WeakPolarHBondContact O-CG1 3.49Å; V172-I176 PolarHBondContact O-N 2.89Å; N173-I176 PolarHBondContact O-N 3.1Å; I176-W178 PolarHBondContact O-N 3.07Å; I176-L179 PolarHBondContact O-N 2.86Å; I176-M180 HydrophobicContact CG2-CG 4.43Å; I176-M180 HydrophobicContact CG2-SD 4.44Å; I176-M180 WeakPolarHBondContact O-CG 3.37Å; I176-M180 PolarHBondContact O-N 3.38Å; I176-L225 HydrophobicContact CD1-CD2 3.61Å; I176-L225 HydrophobicContact CD1-CG 3.9Å; I176-A228 HydrophobicContact CG2-CB 3.59Å; I176-L230 HydrophobicContact CD1-CD1 4.39Å; I176-L230 HydrophobicContact CG2-CD1 4.46Å |
| 177 | N | 92.8 | Very high | 89.3 | Confident | 87 Ų | 87 | 33.1 Ų | 33.1 | 47% | 0.465 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -56.5 | -49.4 | 178 | -178.1 | -26.5 | 0 | 0 | 0 | 111.6 | N173 I175 L179 M180 N181 | N173-N177 VanDerWaalsContact O-CB 3.28Å; N173-N177 WeakPolarHBondContact O-CB 3.37Å; N173-N177 PolarHBondContact O-N 2.94Å; I175-N177 PolarHBondContact O-N 3.18Å; N177-L179 PolarHBondContact O-N 2.79Å; N177-M180 PolarHBondContact O-N 2.94Å; N177-N181 WeakPolarHBondContact O-CB 3.43Å; N177-N181 PolarHBondContact O-N 2.94Å; N177-N181 PolarHBondContact O-ND2 2.75Å; N177-N181 VanDerWaalsContact O-ND2 3.09Å; N177-N181 PolarHBondContact OD1-ND2 3.37Å |
| 178 | W | 94.4 | Very high | 90.5 | Very high | 26 Ų | 26 | 29.7 Ų | 29.7 | 10% | 0.098 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.2 | -45.2 | 175.9 | -82 | -31.6 | 0 | 0 | 0 | 112.9 | A140 I142 N158 L160 K174 I175 I176 M180 N181 G182 V183 | A140-W178 HydrophobicContact CB-CD2 3.86Å; A140-W178 HydrophobicContact CB-CE3 3.53Å; A140-W178 HydrophobicContact CB-CG 4.43Å; A140-W178 HydrophobicContact CB-CH2 4.25Å; A140-W178 HydrophobicContact CB-CZ3 3.73Å; I142-W178 HydrophobicContact CD1-CZ3 3.91Å; I142-W178 HydrophobicContact CG1-CH2 4.24Å; I142-W178 HydrophobicContact CG1-CZ3 3.59Å; N158-W178 VanDerWaalsContact C-CZ2 3.49Å; N158-W178 HydrophobicContact CB-CD2 4.32Å; N158-W178 HydrophobicContact CB-CH2 4.42Å; N158-W178 HydrophobicContact CB-CZ2 3.76Å; N158-W178 WeakPolarHBondContact O-CH2 3.2Å; N158-W178 PolarHBondContact OD1-NE1 3.01Å; L160-W178 HydrophobicContact CB-CH2 4.3Å; K174-W178 HydrophobicContact CD-CH2 3.8Å; K174-W178 HydrophobicContact CD-CZ2 3.85Å; K174-W178 HydrophobicContact CD-CZ3 4.19Å; K174-W178 HydrophobicContact CG-CD2 4.04Å; K174-W178 HydrophobicContact CG-CE3 4.07Å; K174-W178 HydrophobicContact CG-CH2 4.15Å; K174-W178 HydrophobicContact CG-CZ2 4.08Å; K174-W178 HydrophobicContact CG-CZ3 4.13Å; K174-W178 WeakPolarHBondContact O-CB 3.45Å; K174-W178 PolarHBondContact O-N 2.84Å; I175-W178 PolarHBondContact O-N 3.17Å; I176-W178 PolarHBondContact O-N 3.07Å; W178-M180 PolarHBondContact O-N 3.5Å; W178-N181 CarbonylContact O-C 3.49Å; W178-N181 PolarHBondContact O-N 3.39Å; W178-G182 PolarHBondContact O-N 3.29Å; W178-V183 HydrophobicContact CB-CB 4.01Å; W178-V183 HydrophobicContact CB-CG2 3.76Å; W178-V183 HydrophobicContact CG-CG2 4.15Å; W178-V183 VanDerWaalsContact O-CB 3.27Å; W178-V183 WeakPolarHBondContact O-CB 3.4Å; W178-V183 WeakPolarHBondContact O-CG2 3.28Å; W178-V183 PolarHBondContact O-N 2.86Å |
| 179 | L | 93.9 | Very high | 91 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.9 | -41.4 | 177.8 | -69.7 | 166.2 | 0 | 0 | 0 | 111.5 | K27 I29 I175 I176 N177 G182 V186 L225 L230 | K27-L179 HydrophobicContact CB-CD2 4.18Å; K27-L179 HydrophobicContact CD-CD2 4.13Å; K27-L179 PolarHBondContact NZ-O 3.22Å; I29-L179 HydrophobicContact CD1-CD1 3.72Å; I29-L179 HydrophobicContact CG1-CD1 4.07Å; I175-L179 HydrophobicContact CG2-CD1 3.63Å; I175-L179 HydrophobicContact CG2-CG 4.3Å; I175-L179 WeakPolarHBondContact O-CB 3.22Å; I175-L179 VanDerWaalsContact O-CG 3.23Å; I175-L179 WeakPolarHBondContact O-CG 3.32Å; I175-L179 PolarHBondContact O-N 2.99Å; I176-L179 PolarHBondContact O-N 2.86Å; N177-L179 PolarHBondContact O-N 2.79Å; L179-G182 PolarHBondContact O-N 3.23Å; L179-V186 HydrophobicContact CD2-CG2 3.9Å; L179-V186 HydrophobicContact CG-CG2 4.23Å; L179-L225 HydrophobicContact CD1-CD2 4.23Å; L179-L230 HydrophobicContact CB-CD1 3.75Å; L179-L230 HydrophobicContact CD1-CD1 4.2Å |
| 180 | M | 91.6 | Very high | 91.5 | Very high | 115 Ų | 115 | 31.2 Ų | 31.2 | 57% | 0.567 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -63.4 | -42.6 | 174 | -66 | -163.2 | -43.9 | 0 | 0 | 111.3 | I176 N177 W178 G182 L230 | I176-M180 HydrophobicContact CG2-CG 4.43Å; I176-M180 HydrophobicContact CG2-SD 4.44Å; I176-M180 WeakPolarHBondContact O-CG 3.37Å; I176-M180 PolarHBondContact O-N 3.38Å; N177-M180 PolarHBondContact O-N 2.94Å; W178-M180 PolarHBondContact O-N 3.5Å; M180-G182 PolarHBondContact O-N 3.16Å; M180-L230 HydrophobicContact CG-CD1 4.32Å |
| 181 | N | 91.9 | Very high | 91.8 | Very high | 121 Ų | 121 | 29.6 Ų | 29.6 | 65% | 0.647 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | 24.8 | 177.2 | -72.5 | -67.1 | 0 | 0 | 0 | 114.3 | N177 W178 | N177-N181 WeakPolarHBondContact O-CB 3.43Å; N177-N181 PolarHBondContact O-N 2.94Å; N177-N181 PolarHBondContact O-ND2 2.75Å; N177-N181 VanDerWaalsContact O-ND2 3.09Å; N177-N181 PolarHBondContact OD1-ND2 3.37Å; W178-N181 CarbonylContact O-C 3.49Å; W178-N181 PolarHBondContact O-N 3.39Å |
| 182 | G | 88.9 | Confident | 92 | Very high | 18 Ų | 18 | 29.9 Ų | 29.9 | 19% | 0.186 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | 19 | 164.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | K138 W178 L179 M180 | K138-G182 WeakPolarHBondContact CD-O 3.18Å; K138-G182 PolarHBondContact NZ-O 3.49Å; W178-G182 PolarHBondContact O-N 3.29Å; L179-G182 PolarHBondContact O-N 3.23Å; M180-G182 PolarHBondContact O-N 3.16Å |
| 183 | V | 92.8 | Very high | 92.2 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.018 | 15% | 0.151 | C | C | . | . | trans | -70.7 | 139.8 | 157.4 | 174.9 | 0 | 0 | 0 | 0 | 108.8 | K138 A140 N158 W178 F185 V186 | K138-V183 WeakPolarHBondContact O-CG1 3.3Å; A140-V183 HydrophobicContact CB-CG1 3.78Å; A140-V183 HydrophobicContact CB-CG2 4.44Å; N158-V183 WeakPolarHBondContact ND2-CG2 3.39Å; W178-V183 HydrophobicContact CB-CB 4.01Å; W178-V183 HydrophobicContact CB-CG2 3.76Å; W178-V183 HydrophobicContact CG-CG2 4.15Å; W178-V183 VanDerWaalsContact O-CB 3.27Å; W178-V183 WeakPolarHBondContact O-CB 3.4Å; W178-V183 WeakPolarHBondContact O-CG2 3.28Å; W178-V183 PolarHBondContact O-N 2.86Å; V183-F185 WeakPolarHBondContact CG1-O 3.37Å; V183-V186 HydrophobicContact CG1-CG2 3.91Å | ||
| 184 | N | 90.7 | Very high | 92.3 | Very high | 14 Ų | 14 | 28.2 Ų | 28.2 | 8% | 0.075 | 14% | 0.142 | C | C | . | . | trans | -118.9 | -18.9 | -177.2 | -59.8 | -23.3 | 0 | 0 | 0 | 113.3 | P25 K27 T28 Y130 K138 | P25-N184 VanDerWaalsContact CG-ND2 3.33Å; P25-N184 WeakPolarHBondContact CG-ND2 3.11Å; K27-N184 CarbonylContact C-O 3.54Å; K27-N184 VanDerWaalsContact CA-O 3.26Å; K27-N184 WeakPolarHBondContact CA-O 3.12Å; T28-N184 PolarHBondContact N-O 3.39Å; Y130-N184 HydrophobicContact CE1-CB 4.09Å; Y130-N184 WeakPolarHBondContact OH-CB 3.48Å; K138-N184 PolarHBondContact O-N 3.47Å | ||
| 185 | F | 92.4 | Very high | 92 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 128.1 | 175.8 | -179.2 | -127.3 | 0 | 0 | 0 | 111.7 | T28 V126 W127 Y130 K138 V139 A140 V183 L187 F388 | T28-F185 HydrophobicContact CG2-CD2 4.35Å; T28-F185 HydrophobicContact CG2-CE2 4.47Å; T28-F185 WeakPolarHBondContact O-CA 3.45Å; V126-F185 HydrophobicContact CG1-CE1 4.04Å; V126-F185 HydrophobicContact CG1-CZ 3.98Å; W127-F185 HydrophobicContact CB-CE1 4.11Å; Y130-F185 HydrophobicContact CD1-CB 3.84Å; Y130-F185 HydrophobicContact CD2-CB 3.97Å; Y130-F185 HydrophobicContact CD2-CD1 4.42Å; Y130-F185 HydrophobicContact CD2-CG 4.22Å; Y130-F185 HydrophobicContact CE1-CB 3.82Å; Y130-F185 HydrophobicContact CE2-CB 3.98Å; Y130-F185 HydrophobicContact CG-CB 3.92Å; Y130-F185 HydrophobicContact CG-CD1 4.18Å; Y130-F185 HydrophobicContact CG-CG 4.28Å; K138-F185 PolarHBondContact O-N 2.83Å; K138-F185 VanDerWaalsContact O-N 3.08Å; V139-F185 CarbonylContact C-O 3.53Å; V139-F185 WeakPolarHBondContact CA-O 3.46Å; V139-F185 HydrophobicContact CG1-CD1 3.89Å; V139-F185 HydrophobicContact CG2-CB 4.49Å; V139-F185 HydrophobicContact CG2-CD1 4.45Å; A140-F185 PolarHBondContact N-O 2.96Å; V183-F185 WeakPolarHBondContact CG1-O 3.37Å; F185-L187 HydrophobicContact CE1-CD1 4.05Å; F185-L187 HydrophobicContact CE1-CD2 4.34Å; F185-L187 HydrophobicContact CE1-CG 3.87Å; F185-L187 HydrophobicContact CZ-CD1 4.27Å; F185-L187 HydrophobicContact CZ-CD2 3.73Å; F185-L187 HydrophobicContact CZ-CG 3.7Å; F185-F388 AromaticContact CD2-CE2 3.98Å; F185-F388 HydrophobicContact CD2-CE2 3.98Å; F185-F388 HydrophobicContact CD2-CZ 4.24Å; F185-F388 HydrophobicContact CE1-CZ 4.47Å; F185-F388 HydrophobicContact CE2-CE1 4.36Å; F185-F388 AromaticContact CE2-CE2 3.5Å; F185-F388 HydrophobicContact CE2-CE2 3.5Å; F185-F388 AromaticContact CE2-CZ 3.32Å; F185-F388 HydrophobicContact CE2-CZ 3.32Å; F185-F388 AromaticContact CZ-CE2 3.99Å; F185-F388 HydrophobicContact CZ-CE2 3.99Å; F185-F388 AromaticContact CZ-CZ 3.47Å; F185-F388 HydrophobicContact CZ-CZ 3.47Å; F185-F388 VanDerWaalsContact CZ-CZ 3.47Å |
| 186 | V | 94.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 124.6 | -176.9 | -179.5 | 0 | 0 | 0 | 0 | 110.3 | T28 I29 L30 A140 I175 L179 V183 | T28-V186 PolarHBondContact O-N 3.22Å; I29-V186 WeakPolarHBondContact CA-O 3.21Å; I29-V186 HydrophobicContact CB-CB 4.49Å; I29-V186 HydrophobicContact CG1-CB 4.28Å; I29-V186 HydrophobicContact CG2-CB 4.27Å; I29-V186 HydrophobicContact CG2-CG1 4.26Å; L30-V186 PolarHBondContact N-O 3.33Å; A140-V186 HydrophobicContact CB-CG2 4.46Å; A140-V186 WeakPolarHBondContact O-CA 3.45Å; I175-V186 HydrophobicContact CD1-CG1 4.09Å; I175-V186 HydrophobicContact CG1-CG1 3.86Å; I175-V186 HydrophobicContact CG2-CG1 4.12Å; I175-V186 HydrophobicContact CG2-CG2 4.4Å; L179-V186 HydrophobicContact CD2-CG2 3.9Å; L179-V186 HydrophobicContact CG-CG2 4.23Å; V183-V186 HydrophobicContact CG1-CG2 3.91Å |
| 187 | L | 93.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 125.7 | 167.2 | -74 | 167.1 | 0 | 0 | 0 | 109.5 | L30 I84 W127 A140 C141 I142 W144 F185 | L30-L187 HydrophobicContact CB-CD2 4.15Å; L30-L187 HydrophobicContact CD2-CD2 3.8Å; L30-L187 HydrophobicContact CG-CD2 4.29Å; I84-L187 HydrophobicContact CG2-CD2 4.26Å; W127-L187 HydrophobicContact CB-CD1 3.83Å; W127-L187 HydrophobicContact CG-CD1 4.12Å; A140-L187 PolarHBondContact O-N 2.8Å; C141-L187 CarbonylContact C-O 3.49Å; C141-L187 WeakPolarHBondContact CA-O 3.16Å; C141-L187 HydrophobicContact CB-CB 4.36Å; I142-L187 PolarHBondContact N-O 3.32Å; W144-L187 HydrophobicContact CB-CB 3.96Å; W144-L187 HydrophobicContact CD2-CB 3.84Å; W144-L187 HydrophobicContact CD2-CD2 3.83Å; W144-L187 HydrophobicContact CD2-CG 4.29Å; W144-L187 HydrophobicContact CE3-CB 3.8Å; W144-L187 HydrophobicContact CE3-CD2 3.93Å; W144-L187 HydrophobicContact CE3-CG 4.47Å; W144-L187 HydrophobicContact CG-CB 3.92Å; W144-L187 HydrophobicContact CG-CD1 4.32Å; W144-L187 HydrophobicContact CG-CD2 4.44Å; W144-L187 HydrophobicContact CG-CG 4.47Å; W144-L187 HydrophobicContact CH2-CD2 4Å; W144-L187 HydrophobicContact CZ2-CD2 3.92Å; W144-L187 HydrophobicContact CZ3-CD2 4Å; F185-L187 HydrophobicContact CE1-CD1 4.05Å; F185-L187 HydrophobicContact CE1-CD2 4.34Å; F185-L187 HydrophobicContact CE1-CG 3.87Å; F185-L187 HydrophobicContact CZ-CD1 4.27Å; F185-L187 HydrophobicContact CZ-CD2 3.73Å; F185-L187 HydrophobicContact CZ-CG 3.7Å |
| 188 | F | 94.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 118.1 | -179.6 | 177.9 | -156.6 | 0 | 0 | 0 | 111.5 | L30 V31 S32 I142 W144 W168 K171 V172 I175 | L30-F188 PolarHBondContact O-N 2.94Å; V31-F188 CarbonylContact C-O 3.59Å; V31-F188 VanDerWaalsContact CA-O 3.26Å; V31-F188 WeakPolarHBondContact CA-O 3.06Å; V31-F188 HydrophobicContact CG1-CD1 4.05Å; V31-F188 HydrophobicContact CG2-CB 4.48Å; V31-F188 HydrophobicContact CG2-CD1 4.1Å; S32-F188 PolarHBondContact N-O 2.82Å; I142-F188 HydrophobicContact CB-CD2 3.82Å; I142-F188 HydrophobicContact CB-CG 4.47Å; I142-F188 HydrophobicContact CG2-CD2 3.67Å; I142-F188 HydrophobicContact CG2-CE2 3.9Å; I142-F188 WeakPolarHBondContact O-CA 3.24Å; W144-F188 WeakPolarHBondContact CZ3-O 3.49Å; W168-F188 HydrophobicContact CD2-CZ 4.24Å; W168-F188 HydrophobicContact CE3-CE1 4.13Å; W168-F188 AromaticContact CE3-CZ 3.64Å; W168-F188 HydrophobicContact CE3-CZ 3.64Å; W168-F188 AromaticContact CH2-CE1 3.6Å; W168-F188 HydrophobicContact CH2-CE1 3.6Å; W168-F188 AromaticContact CH2-CZ 3.94Å; W168-F188 HydrophobicContact CH2-CZ 3.94Å; W168-F188 HydrophobicContact CZ2-CE1 4.03Å; W168-F188 HydrophobicContact CZ2-CZ 4.5Å; W168-F188 AromaticContact CZ3-CE1 3.66Å; W168-F188 HydrophobicContact CZ3-CE1 3.66Å; W168-F188 AromaticContact CZ3-CZ 3.48Å; W168-F188 HydrophobicContact CZ3-CZ 3.48Å; W168-F188 VanDerWaalsContact CZ3-CZ 3.48Å; K171-F188 HydrophobicContact CB-CE2 4.11Å; K171-F188 HydrophobicContact CB-CZ 4.08Å; K171-F188 HydrophobicContact CD-CE2 3.89Å; K171-F188 HydrophobicContact CD-CZ 4.4Å; V172-F188 HydrophobicContact CG2-CE1 4.48Å; I175-F188 HydrophobicContact CD1-CB 3.97Å; I175-F188 HydrophobicContact CD1-CD1 3.51Å; I175-F188 HydrophobicContact CD1-CE1 4.11Å; I175-F188 HydrophobicContact CD1-CG 3.76Å |
| 189 | Y | 92.8 | Very high | 89.5 | Confident | 33 Ų | 33 | 29.4 Ų | 29.4 | 13% | 0.129 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 141.2 | 177.1 | 164.9 | -100.7 | 0 | 0 | 0 | 112.1 | D34 H80 I142 S143 H162 H191 | D34-Y189 HydrophobicContact CB-CE2 3.74Å; D34-Y189 WeakPolarHBondContact OD2-CE2 3.19Å; D34-Y189 VanDerWaalsContact OD2-CZ 3.26Å; D34-Y189 PolarHBondContact OD2-OH 3.16Å; H80-Y189 AromaticContact CE1-CD2 3.67Å; H80-Y189 AromaticContact CE1-CE2 3.63Å; H80-Y189 AromaticContact NE2-CD2 3.36Å; H80-Y189 WeakPolarHBondContact NE2-CD2 3.3Å; H80-Y189 AromaticContact NE2-CE2 3.83Å; I142-Y189 PolarHBondContact O-N 2.69Å; S143-Y189 VanDerWaalsContact O-CD1 3.26Å; S143-Y189 WeakPolarHBondContact O-CD1 3.47Å; H162-Y189 AromaticContact CE1-CE1 3.54Å; H162-Y189 AromaticContact ND1-CD1 3.79Å; H162-Y189 AromaticContact ND1-CE1 3.62Å; Y189-H191 HydrophobicContact CE1-CB 4.34Å |
| 190 | Y | 91.7 | Very high | 89 | Confident | 24 Ų | 24 | 34.5 Ų | 34.5 | 9% | 0.094 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 135.1 | 175.6 | -166.9 | -111.4 | 0 | 0 | 0 | 111 | S32 L33 D34 W168 E192 L214 K217 | S32-Y190 PolarHBondContact O-N 2.75Å; L33-Y190 HydrophobicContact CD2-CD1 4.41Å; D34-Y190 WeakPolarHBondContact CB-O 3.3Å; D34-Y190 PolarHBondContact N-O 2.76Å; W168-Y190 HydrophobicContact CE3-CD1 4.3Å; W168-Y190 AromaticContact CE3-CD2 3.88Å; W168-Y190 HydrophobicContact CE3-CD2 3.88Å; W168-Y190 HydrophobicContact CE3-CE1 4.49Å; W168-Y190 HydrophobicContact CE3-CE2 4.11Å; W168-Y190 HydrophobicContact CE3-CG 4.01Å; W168-Y190 HydrophobicContact CZ3-CD1 4.06Å; W168-Y190 HydrophobicContact CZ3-CD2 4.12Å; W168-Y190 AromaticContact CZ3-CG 3.8Å; W168-Y190 HydrophobicContact CZ3-CG 3.8Å; Y190-E192 HydrophobicContact CD1-CB 4.15Å; Y190-E192 HydrophobicContact CE1-CB 3.69Å; Y190-E192 HydrophobicContact CE1-CG 4.24Å; Y190-E192 PolarHBondContact O-N 2.93Å; Y190-L214 HydrophobicContact CD1-CD1 3.85Å; Y190-L214 HydrophobicContact CE1-CD1 3.83Å; Y190-K217 HydrophobicContact CE1-CD 4.33Å; Y190-K217 PolarHBondContact OH-NZ 3.36Å |
| 191 | H | 87.8 | Confident | 88.6 | Confident | 47 Ų | 47 | 29.2 Ų | 29.2 | 22% | 0.218 | 14% | 0.144 | C | C | . | . | trans | -87.7 | 6.4 | -164.7 | 67.2 | -90.4 | 0 | 0 | 0 | 115.8 | Y189 S195 | Y189-H191 HydrophobicContact CE1-CB 4.34Å; H191-S195 PolarHBondContact O-N 2.98Å; H191-S195 PolarHBondContact O-OG 3.04Å | ||
| 192 | E | 90.2 | Very high | 88.6 | Confident | 9 Ų | 9 | 23.4 Ų | 23.4 | 4% | 0.042 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.7 | 146 | 177.1 | -69.7 | -82.1 | -155.1 | 0 | 0 | 108.6 | D34 Y190 T196 M210 Q475 | D34-E192 CarbonylContact O-C 3.53Å; Y190-E192 HydrophobicContact CD1-CB 4.15Å; Y190-E192 HydrophobicContact CE1-CB 3.69Å; Y190-E192 HydrophobicContact CE1-CG 4.24Å; Y190-E192 PolarHBondContact O-N 2.93Å; E192-T196 VanDerWaalsContact CD-OG1 3.25Å; E192-T196 PolarHBondContact OE1-OG1 2.97Å; E192-T196 VanDerWaalsContact OE1-OG1 3.07Å; E192-T196 VanDerWaalsContact OE2-CB 3.32Å; E192-T196 WeakPolarHBondContact OE2-CB 3.45Å; E192-T196 PolarHBondContact OE2-N 3.22Å; E192-T196 PolarHBondContact OE2-OG1 3.01Å; E192-M210 HydrophobicContact CB-CE 4.2Å; E192-M210 HydrophobicContact CB-CG 4.47Å; E192-M210 HydrophobicContact CB-SD 3.74Å; E192-M210 HydrophobicContact CG-CE 3.83Å; E192-M210 HydrophobicContact CG-SD 4.06Å; E192-M210 WeakPolarHBondContact OE1-CE 3.41Å; E192-Q475 PolarHBondContact OE1-NE2 3.07Å |
| 193 | P | 94.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -89.1 | 3.8 | 16.6 | 35.9 | -38.3 | 0 | 0 | 0 | 117 | D34 F36 Y40 S195 T196 G197 M207 M210 L214 | D34-P193 WeakPolarHBondContact O-CD 3.46Å; D34-P193 VanDerWaalsContact O-N 3.16Å; F36-P193 HydrophobicContact CB-CG 4.02Å; F36-P193 HydrophobicContact CD2-CG 4.1Å; F36-P193 HydrophobicContact CG-CG 4.22Å; Y40-P193 HydrophobicContact CD2-CG 3.95Å; Y40-P193 HydrophobicContact CE2-CB 4.25Å; Y40-P193 HydrophobicContact CE2-CG 3.65Å; P193-S195 PolarHBondContact O-N 3.08Å; P193-T196 PolarHBondContact O-N 3.19Å; P193-G197 PolarHBondContact O-N 3.3Å; P193-M207 HydrophobicContact CB-CE 4.01Å; P193-M207 HydrophobicContact CB-SD 3.71Å; P193-M210 HydrophobicContact CB-CG 4.05Å; P193-L214 HydrophobicContact CG-CD2 4.38Å |
| 194 | D | 91.4 | Very high | 88.5 | Confident | 17 Ų | 17 | 28.3 Ų | 28.3 | 9% | 0.091 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -48.1 | -51.9 | -177.8 | -179.4 | 71 | 0 | 0 | 0 | 114 | D34 T196 G197 H198 H242 M244 H340 | D34-D194 HydrophobicContact CB-CB 3.86Å; D34-D194 WeakPolarHBondContact O-CB 3.1Å; D34-D194 PolarHBondContact O-N 3.28Å; D34-D194 WeakPolarHBondContact OD1-CB 3.42Å; D194-T196 PolarHBondContact O-N 2.84Å; D194-G197 CarbonylContact O-C 3.53Å; D194-G197 VanDerWaalsContact O-CA 3.24Å; D194-G197 WeakPolarHBondContact O-CA 3.2Å; D194-G197 PolarHBondContact O-N 3.28Å; D194-H198 PolarHBondContact O-CD2 2.94Å; D194-H198 PolarHBondContact O-N 2.9Å; D194-H198 IonicContact OD1-CD2 3.75Å; D194-H198 IonicContact OD2-CD2 3.67Å; D194-H198 PolarHBondContact OD2-CD2 3.47Å; D194-H242 IonicContact OD1-CE1 2.69Å; D194-M244 WeakPolarHBondContact OD1-CE 3.31Å; D194-H340 IonicContact OD1-CD2 2.66Å; D194-H340 IonicContact OD1-NE2 3.81Å |
| 195 | S | 82.7 | Confident | 88.4 | Confident | 38 Ų | 38 | 31.3 Ų | 31.3 | 27% | 0.266 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -58 | -49.3 | -178.8 | -70.5 | 0 | 0 | 0 | 0 | 111.9 | H191 P193 G197 H198 F199 | H191-S195 PolarHBondContact O-N 2.98Å; H191-S195 PolarHBondContact O-OG 3.04Å; P193-S195 PolarHBondContact O-N 3.08Å; S195-G197 PolarHBondContact O-N 3.37Å; S195-H198 PolarHBondContact O-N 3.23Å; S195-F199 WeakPolarHBondContact O-CD2 3.19Å; S195-F199 PolarHBondContact O-N 3.01Å |
| 196 | T | 82.5 | Confident | 88.4 | Confident | 4 Ų | 4 | 33.4 Ų | 33.4 | 3% | 0.025 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.3 | -34.9 | 173.4 | -59.3 | 0 | 0 | 0 | 0 | 111.7 | E192 P193 D194 Y200 Q206 M207 M210 Q475 | E192-T196 VanDerWaalsContact CD-OG1 3.25Å; E192-T196 PolarHBondContact OE1-OG1 2.97Å; E192-T196 VanDerWaalsContact OE1-OG1 3.07Å; E192-T196 VanDerWaalsContact OE2-CB 3.32Å; E192-T196 WeakPolarHBondContact OE2-CB 3.45Å; E192-T196 PolarHBondContact OE2-N 3.22Å; E192-T196 PolarHBondContact OE2-OG1 3.01Å; P193-T196 PolarHBondContact O-N 3.19Å; D194-T196 PolarHBondContact O-N 2.84Å; T196-Y200 HydrophobicContact CG2-CD2 4.03Å; T196-Y200 PolarHBondContact O-N 3.08Å; T196-Q206 HydrophobicContact CG2-CB 4.24Å; T196-M207 HydrophobicContact CG2-CE 3.98Å; T196-M210 HydrophobicContact CG2-CB 3.91Å; T196-M210 HydrophobicContact CG2-CG 4.39Å; T196-Q475 PolarHBondContact OG1-NE2 2.9Å |
| 197 | G | 84.3 | Confident | 88.3 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.4 | -44.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | P193 D194 S195 G201 M207 G338 | P193-G197 PolarHBondContact O-N 3.3Å; D194-G197 CarbonylContact O-C 3.53Å; D194-G197 VanDerWaalsContact O-CA 3.24Å; D194-G197 WeakPolarHBondContact O-CA 3.2Å; D194-G197 PolarHBondContact O-N 3.28Å; S195-G197 PolarHBondContact O-N 3.37Å; G197-G201 WeakPolarHBondContact O-CA 3.33Å; G197-G201 PolarHBondContact O-N 3.17Å; G197-M207 VanDerWaalsContact CA-CE 3.4Å; G197-M207 VanDerWaalsContact N-CE 3.28Å; G197-G338 VanDerWaalsContact O-CA 3.29Å; G197-G338 WeakPolarHBondContact O-CA 3.3Å; G197-G338 PolarHBondContact O-N 2.87Å |
| 198 | H | 82.6 | Confident | 88.3 | Confident | 34 Ų | 34 | 35.1 Ų | 35.1 | 16% | 0.157 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.8 | -47.6 | 175.8 | -77.3 | -66 | 0 | 0 | 0 | 113.3 | D194 S195 A337 G338 Q339 H340 | D194-H198 PolarHBondContact O-CD2 2.94Å; D194-H198 PolarHBondContact O-N 2.9Å; D194-H198 IonicContact OD1-CD2 3.75Å; D194-H198 IonicContact OD2-CD2 3.67Å; D194-H198 PolarHBondContact OD2-CD2 3.47Å; S195-H198 PolarHBondContact O-N 3.23Å; H198-A337 PolarHBondContact O-N 3.44Å; H198-G338 PolarHBondContact CE1-O 2.82Å; H198-G338 PolarHBondContact ND1-O 3.29Å; H198-G338 PolarHBondContact O-N 3.4Å; H198-Q339 PolarHBondContact NE2-NE2 3.48Å; H198-Q339 PolarHBondContact NE2-OE1 2.96Å; H198-H340 AromaticContact NE2-CD2 2.9Å; H198-H340 PolarHBondContact NE2-CD2 3.17Å; H198-H340 AromaticContact NE2-NE2 3.07Å; H198-H340 PolarHBondContact NE2-NE2 3.27Å |
| 199 | F | 73.4 | Confident | 88.2 | Confident | 140 Ų | 140 | 36.8 Ų | 36.8 | 61% | 0.614 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -68.4 | -41 | -174.7 | -76 | -64.6 | 0 | 0 | 0 | 113.3 | S195 | S195-F199 WeakPolarHBondContact O-CD2 3.19Å; S195-F199 PolarHBondContact O-N 3.01Å |
| 200 | Y | 83.2 | Confident | 88.2 | Confident | 108 Ų | 108 | 35.3 Ų | 35.3 | 42% | 0.424 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -122.5 | -10.6 | -170.2 | -53.9 | -73.8 | 0 | 0 | 0 | 114.2 | T196 S204 Q206 | T196-Y200 HydrophobicContact CG2-CD2 4.03Å; T196-Y200 PolarHBondContact O-N 3.08Å; Y200-S204 WeakPolarHBondContact CB-OG 3.46Å; Y200-S204 VanDerWaalsContact O-CB 3.25Å; Y200-S204 WeakPolarHBondContact O-CB 3.14Å; Y200-S204 PolarHBondContact O-OG 3.26Å; Y200-Q206 HydrophobicContact CD1-CB 4.18Å; Y200-Q206 HydrophobicContact CD1-CG 3.54Å; Y200-Q206 HydrophobicContact CD2-CB 3.53Å; Y200-Q206 HydrophobicContact CD2-CG 3.65Å; Y200-Q206 HydrophobicContact CE1-CG 3.79Å; Y200-Q206 HydrophobicContact CE2-CB 4.12Å; Y200-Q206 HydrophobicContact CE2-CG 3.89Å; Y200-Q206 HydrophobicContact CG-CB 3.53Å; Y200-Q206 HydrophobicContact CG-CG 3.44Å; Y200-Q206 VanDerWaalsContact CG-CG 3.44Å |
| 201 | G | 83.3 | Confident | 88.4 | Confident | 3 Ų | 3 | 34.1 Ų | 34.1 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | trans | 84 | 154.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | G197 H203 S204 A337 | G197-G201 WeakPolarHBondContact O-CA 3.33Å; G197-G201 PolarHBondContact O-N 3.17Å; G201-H203 PolarHBondContact O-N 2.98Å; G201-H203 VanDerWaalsContact O-N 3.08Å; G201-S204 PolarHBondContact O-N 2.77Å; G201-S204 PolarHBondContact O-OG 2.96Å; G201-A337 WeakPolarHBondContact CA-O 3.5Å | ||
| 202 | P | 91.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -12.3 | -171.3 | 27 | -35.6 | 0 | 0 | 0 | 114.8 | Y40 K43 M207 M244 K246 | Y40-P202 HydrophobicContact CE1-CB 4.13Å; Y40-P202 WeakPolarHBondContact OH-CA 3.45Å; Y40-P202 WeakPolarHBondContact OH-CB 3.5Å; K43-P202 PolarHBondContact NZ-O 3.09Å; P202-M207 WeakPolarHBondContact O-CG 3.4Å; P202-M244 HydrophobicContact CB-CB 4.32Å; P202-M244 HydrophobicContact CB-CG 3.98Å; P202-M244 HydrophobicContact CG-CG 4.17Å; P202-K246 HydrophobicContact CG-CB 4.17Å |
| 203 | H | 92.4 | Very high | 88.9 | Confident | 106 Ų | 106 | 34.7 Ų | 34.7 | 49% | 0.491 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 2.1 | -177.7 | -59.4 | -66.4 | 0 | 0 | 0 | 114.1 | W37 G201 | W37-H203 AromaticContact CZ3-CE1 3.87Å; G201-H203 PolarHBondContact O-N 2.98Å; G201-H203 VanDerWaalsContact O-N 3.08Å |
| 204 | S | 88.5 | Confident | 88.9 | Confident | 18 Ų | 18 | 34.7 Ų | 34.7 | 13% | 0.126 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -68.1 | 159.7 | 179.2 | 57.3 | 0 | 0 | 0 | 0 | 114.6 | Y200 G201 Q206 M207 N208 | Y200-S204 WeakPolarHBondContact CB-OG 3.46Å; Y200-S204 VanDerWaalsContact O-CB 3.25Å; Y200-S204 WeakPolarHBondContact O-CB 3.14Å; Y200-S204 PolarHBondContact O-OG 3.26Å; G201-S204 PolarHBondContact O-N 2.77Å; G201-S204 PolarHBondContact O-OG 2.96Å; S204-Q206 VanDerWaalsContact C-N 3.26Å; S204-M207 WeakPolarHBondContact O-CB 3.49Å; S204-M207 PolarHBondContact O-N 2.04Å; S204-M207 WeakPolarHBondContact OG-CB 3.5Å; S204-M207 PolarHBondContact OG-N 3Å; S204-N208 PolarHBondContact O-N 3.43Å; S204-N208 PolarHBondContact O-OD1 3.35Å |
| 205 | T | 88.6 | Confident | 89.2 | Confident | 76 Ų | 76 | 34.1 Ų | 34.1 | 47% | 0.466 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -66.3 | -33.4 | 169.6 | -42.2 | 0 | 0 | 0 | 0 | 110.8 | M207 N208 E209 Y474 | T205-M207 VanDerWaalsContact C-N 3.34Å; T205-M207 PolarHBondContact O-N 3.18Å; T205-N208 WeakPolarHBondContact O-CB 3.44Å; T205-N208 PolarHBondContact O-N 2.05Å; T205-N208 VanDerWaalsContact O-N 3.14Å; T205-E209 WeakPolarHBondContact O-CG 3.32Å; T205-E209 PolarHBondContact O-N 3.37Å; T205-E209 VanDerWaalsContact O-N 3.14Å; T205-Y474 VanDerWaalsContact C-CE2 3.5Å; T205-Y474 VanDerWaalsContact CB-OH 3.29Å; T205-Y474 WeakPolarHBondContact CB-OH 3.25Å; T205-Y474 HydrophobicContact CG2-CE2 3.88Å; T205-Y474 WeakPolarHBondContact CG2-OH 3.36Å |
| 206 | Q | 91.2 | Very high | 89.7 | Confident | 45 Ų | 45 | 36.6 Ų | 36.6 | 21% | 0.21 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -52.9 | -49.3 | 169 | -69.9 | 77.2 | -3 | 0 | 0 | 111.7 | T196 Y200 S204 N208 E209 M210 Y474 | T196-Q206 HydrophobicContact CG2-CB 4.24Å; Y200-Q206 HydrophobicContact CD1-CB 4.18Å; Y200-Q206 HydrophobicContact CD1-CG 3.54Å; Y200-Q206 HydrophobicContact CD2-CB 3.53Å; Y200-Q206 HydrophobicContact CD2-CG 3.65Å; Y200-Q206 HydrophobicContact CE1-CG 3.79Å; Y200-Q206 HydrophobicContact CE2-CB 4.12Å; Y200-Q206 HydrophobicContact CE2-CG 3.89Å; Y200-Q206 HydrophobicContact CG-CB 3.53Å; Y200-Q206 HydrophobicContact CG-CG 3.44Å; Y200-Q206 VanDerWaalsContact CG-CG 3.44Å; S204-Q206 VanDerWaalsContact C-N 3.26Å; Q206-N208 PolarHBondContact O-N 3.06Å; Q206-E209 PolarHBondContact O-N 2.84Å; Q206-M210 PolarHBondContact O-N 3.09Å; Q206-Y474 VanDerWaalsContact CA-CD2 3.43Å; Q206-Y474 HydrophobicContact CB-CD2 4.17Å; Q206-Y474 HydrophobicContact CB-CG 4.19Å; Q206-Y474 HydrophobicContact CG-CD1 3.57Å; Q206-Y474 HydrophobicContact CG-CD2 3.9Å; Q206-Y474 HydrophobicContact CG-CE1 3.98Å; Q206-Y474 HydrophobicContact CG-CE2 4.28Å; Q206-Y474 HydrophobicContact CG-CG 3.51Å; Q206-Y474 VanDerWaalsContact NE2-CE1 3.35Å |
| 207 | M | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.2 | -43.7 | 175 | -178.8 | 54.9 | 62.7 | 0 | 0 | 112.1 | Y40 P193 T196 G197 P202 S204 T205 E209 M210 L211 | Y40-M207 HydrophobicContact CE1-CG 3.78Å; Y40-M207 HydrophobicContact CE1-SD 4.06Å; Y40-M207 HydrophobicContact CE2-CE 4.45Å; Y40-M207 HydrophobicContact CE2-SD 3.87Å; Y40-M207 VanDerWaalsContact CZ-SD 3.57Å; Y40-M207 WeakPolarHBondContact OH-CE 3.3Å; P193-M207 HydrophobicContact CB-CE 4.01Å; P193-M207 HydrophobicContact CB-SD 3.71Å; T196-M207 HydrophobicContact CG2-CE 3.98Å; G197-M207 VanDerWaalsContact CA-CE 3.4Å; G197-M207 VanDerWaalsContact N-CE 3.28Å; P202-M207 WeakPolarHBondContact O-CG 3.4Å; S204-M207 WeakPolarHBondContact O-CB 3.49Å; S204-M207 PolarHBondContact O-N 2.04Å; S204-M207 WeakPolarHBondContact OG-CB 3.5Å; S204-M207 PolarHBondContact OG-N 3Å; T205-M207 VanDerWaalsContact C-N 3.34Å; T205-M207 PolarHBondContact O-N 3.18Å; M207-E209 PolarHBondContact O-N 2.91Å; M207-E209 VanDerWaalsContact O-N 3.15Å; M207-M210 PolarHBondContact O-N 3.27Å; M207-L211 HydrophobicContact CG-CD1 4.13Å; M207-L211 HydrophobicContact CG-CG 4.4Å; M207-L211 WeakPolarHBondContact O-CB 3.3Å; M207-L211 WeakPolarHBondContact O-CG 3.44Å; M207-L211 PolarHBondContact O-N 3.44Å; M207-L211 HydrophobicContact SD-CD1 4.34Å; M207-L211 HydrophobicContact SD-CD2 4.46Å; M207-L211 HydrophobicContact SD-CG 4.07Å |
| 208 | N | 94.7 | Very high | 90.9 | Very high | 35 Ų | 35 | 37.2 Ų | 37.2 | 19% | 0.187 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.5 | -31 | 178.9 | -64 | -14.8 | 0 | 0 | 0 | 112.6 | K43 L47 S204 T205 Q206 K212 | K43-N208 PolarHBondContact NZ-OD1 3.01Å; L47-N208 HydrophobicContact CD1-CB 3.71Å; L47-N208 HydrophobicContact CD2-CB 4.13Å; S204-N208 PolarHBondContact O-N 3.43Å; S204-N208 PolarHBondContact O-OD1 3.35Å; T205-N208 WeakPolarHBondContact O-CB 3.44Å; T205-N208 PolarHBondContact O-N 2.05Å; T205-N208 VanDerWaalsContact O-N 3.14Å; Q206-N208 PolarHBondContact O-N 3.06Å; N208-K212 WeakPolarHBondContact O-CG 3.46Å; N208-K212 PolarHBondContact O-N 2.89Å |
| 209 | E | 90.6 | Very high | 91.5 | Very high | 36 Ų | 36 | 35.8 Ų | 35.8 | 17% | 0.168 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -91.9 | -35 | -172.7 | -75.3 | -86.3 | 142 | 0 | 0 | 112.3 | T205 Q206 M207 L211 K212 E213 S472 S473 Y474 | T205-E209 WeakPolarHBondContact O-CG 3.32Å; T205-E209 PolarHBondContact O-N 3.37Å; T205-E209 VanDerWaalsContact O-N 3.14Å; Q206-E209 PolarHBondContact O-N 2.84Å; M207-E209 PolarHBondContact O-N 2.91Å; M207-E209 VanDerWaalsContact O-N 3.15Å; E209-L211 VanDerWaalsContact C-N 3.31Å; E209-K212 PolarHBondContact O-N 3.38Å; E209-K212 VanDerWaalsContact OE1-CD 3.3Å; E209-K212 WeakPolarHBondContact OE1-CD 3.38Å; E209-K212 WeakPolarHBondContact OE1-CE 3.42Å; E209-K212 IonicContact OE1-NZ 3.77Å; E209-K212 PolarHBondContact OE1-NZ 2.81Å; E209-E213 PolarHBondContact O-N 2.92Å; E209-E213 VanDerWaalsContact O-N 3.07Å; E209-S472 WeakPolarHBondContact O-CB 3.32Å; E209-S473 WeakPolarHBondContact CB-OG 3.3Å; E209-S473 WeakPolarHBondContact CG-OG 3.28Å; E209-S473 VanDerWaalsContact OE2-CB 3.29Å; E209-S473 WeakPolarHBondContact OE2-CB 3.37Å; E209-S473 PolarHBondContact OE2-N 3.28Å; E209-S473 PolarHBondContact OE2-OG 3.07Å; E209-Y474 HydrophobicContact CB-CD2 3.87Å; E209-Y474 HydrophobicContact CB-CE2 4.2Å; E209-Y474 HydrophobicContact CG-CD2 4.19Å; E209-Y474 HydrophobicContact CG-CE2 4.02Å |
| 210 | M | 94.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.3 | -45 | 159.6 | 169 | 46.2 | 59.1 | 0 | 0 | 111.1 | E192 P193 T196 Q206 M207 K212 E213 L214 Q475 | E192-M210 HydrophobicContact CB-CE 4.2Å; E192-M210 HydrophobicContact CB-CG 4.47Å; E192-M210 HydrophobicContact CB-SD 3.74Å; E192-M210 HydrophobicContact CG-CE 3.83Å; E192-M210 HydrophobicContact CG-SD 4.06Å; E192-M210 WeakPolarHBondContact OE1-CE 3.41Å; P193-M210 HydrophobicContact CB-CG 4.05Å; T196-M210 HydrophobicContact CG2-CB 3.91Å; T196-M210 HydrophobicContact CG2-CG 4.39Å; Q206-M210 PolarHBondContact O-N 3.09Å; M207-M210 PolarHBondContact O-N 3.27Å; M210-K212 PolarHBondContact O-N 3.44Å; M210-E213 CarbonylContact O-C 3.58Å; M210-E213 WeakPolarHBondContact O-CA 3.4Å; M210-E213 WeakPolarHBondContact O-CB 3.16Å; M210-E213 PolarHBondContact O-N 3Å; M210-L214 WeakPolarHBondContact O-CB 3.49Å; M210-L214 PolarHBondContact O-N 2.85Å; M210-L214 HydrophobicContact SD-CB 4.29Å; M210-Q475 HydrophobicContact CE-CG 4.32Å |
| 211 | L | 96.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.4 | -42.4 | 178.3 | -72.3 | 173.5 | 0 | 0 | 0 | 112.4 | F36 Y40 K43 L44 M207 E209 E213 L214 D215 | F36-L211 HydrophobicContact CE2-CD2 4.09Å; F36-L211 HydrophobicContact CZ-CD2 4.26Å; Y40-L211 HydrophobicContact CD1-CD1 3.76Å; Y40-L211 HydrophobicContact CD2-CD1 4.44Å; Y40-L211 HydrophobicContact CD2-CD2 3.8Å; Y40-L211 HydrophobicContact CE1-CD1 4.43Å; Y40-L211 HydrophobicContact CG-CD1 3.75Å; Y40-L211 HydrophobicContact CG-CD2 3.8Å; Y40-L211 HydrophobicContact CG-CG 4.37Å; K43-L211 HydrophobicContact CB-CD1 4.1Å; K43-L211 HydrophobicContact CD-CD1 3.88Å; L44-L211 HydrophobicContact CD2-CB 3.94Å; L44-L211 WeakPolarHBondContact CD2-O 3.26Å; L44-L211 HydrophobicContact CG-CB 4.27Å; M207-L211 HydrophobicContact CG-CD1 4.13Å; M207-L211 HydrophobicContact CG-CG 4.4Å; M207-L211 WeakPolarHBondContact O-CB 3.3Å; M207-L211 WeakPolarHBondContact O-CG 3.44Å; M207-L211 PolarHBondContact O-N 3.44Å; M207-L211 HydrophobicContact SD-CD1 4.34Å; M207-L211 HydrophobicContact SD-CD2 4.46Å; M207-L211 HydrophobicContact SD-CG 4.07Å; E209-L211 VanDerWaalsContact C-N 3.31Å; L211-E213 VanDerWaalsContact C-N 3.27Å; L211-E213 PolarHBondContact O-N 2.82Å; L211-L214 PolarHBondContact O-N 2.93Å; L211-D215 WeakPolarHBondContact O-CB 3.4Å; L211-D215 PolarHBondContact O-N 2.98Å |
| 212 | K | 95.7 | Very high | 93.8 | Very high | 58 Ų | 58 | 26.5 Ų | 26.5 | 25% | 0.252 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -61.3 | -34.6 | 172.9 | -69.6 | 173.2 | -172.9 | 176.9 | 0 | 112.7 | L48 N208 E209 M210 K216 | L48-K212 HydrophobicContact CD1-CG 4.23Å; L48-K212 HydrophobicContact CD2-CG 4.21Å; L48-K212 HydrophobicContact CG-CG 4.31Å; N208-K212 WeakPolarHBondContact O-CG 3.46Å; N208-K212 PolarHBondContact O-N 2.89Å; E209-K212 PolarHBondContact O-N 3.38Å; E209-K212 VanDerWaalsContact OE1-CD 3.3Å; E209-K212 WeakPolarHBondContact OE1-CD 3.38Å; E209-K212 WeakPolarHBondContact OE1-CE 3.42Å; E209-K212 IonicContact OE1-NZ 3.77Å; E209-K212 PolarHBondContact OE1-NZ 2.81Å; M210-K212 PolarHBondContact O-N 3.44Å; K212-K216 WeakPolarHBondContact O-CG 3.47Å; K212-K216 PolarHBondContact O-N 3.08Å |
| 213 | E | 92.2 | Very high | 94 | Very high | 10 Ų | 10 | 29.6 Ų | 29.6 | 5% | 0.047 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -72.6 | -39.5 | 176.4 | -160.8 | -172.8 | 128.4 | 0 | 0 | 112.2 | E209 M210 L211 K216 K217 I471 S472 | E209-E213 PolarHBondContact O-N 2.92Å; E209-E213 VanDerWaalsContact O-N 3.07Å; M210-E213 CarbonylContact O-C 3.58Å; M210-E213 WeakPolarHBondContact O-CA 3.4Å; M210-E213 WeakPolarHBondContact O-CB 3.16Å; M210-E213 PolarHBondContact O-N 3Å; L211-E213 VanDerWaalsContact C-N 3.27Å; L211-E213 PolarHBondContact O-N 2.82Å; E213-K216 WeakPolarHBondContact O-CB 2.99Å; E213-K216 PolarHBondContact O-N 3.16Å; E213-K217 WeakPolarHBondContact O-CG 3.47Å; E213-K217 PolarHBondContact O-N 3.01Å; E213-K217 VanDerWaalsContact O-N 3.11Å; E213-K217 WeakPolarHBondContact OE1-CE 3.19Å; E213-K217 IonicContact OE1-NZ 3.62Å; E213-K217 PolarHBondContact OE1-NZ 3.35Å; E213-I471 HydrophobicContact CG-CG2 3.85Å; E213-I471 WeakPolarHBondContact OE1-CG2 3.3Å; E213-S472 WeakPolarHBondContact OE2-CB 3.49Å; E213-S472 PolarHBondContact OE2-OG 3.27Å |
| 214 | L | 94.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -72.2 | -35 | 179.1 | -168.8 | 58 | 0 | 0 | 0 | 112.2 | L33 F36 Y190 P193 M210 L211 K217 V218 | L33-L214 HydrophobicContact CD1-CD1 4.49Å; L33-L214 HydrophobicContact CD1-CD2 4.2Å; L33-L214 HydrophobicContact CD1-CG 4.36Å; L33-L214 HydrophobicContact CD2-CD1 4.23Å; F36-L214 HydrophobicContact CD2-CD2 3.68Å; F36-L214 HydrophobicContact CE2-CD2 3.82Å; Y190-L214 HydrophobicContact CD1-CD1 3.85Å; Y190-L214 HydrophobicContact CE1-CD1 3.83Å; P193-L214 HydrophobicContact CG-CD2 4.38Å; M210-L214 WeakPolarHBondContact O-CB 3.49Å; M210-L214 PolarHBondContact O-N 2.85Å; M210-L214 HydrophobicContact SD-CB 4.29Å; L211-L214 PolarHBondContact O-N 2.93Å; L214-K217 HydrophobicContact CD1-CD 4.4Å; L214-K217 WeakPolarHBondContact O-CB 3.25Å; L214-K217 PolarHBondContact O-N 2.97Å; L214-V218 WeakPolarHBondContact O-CG2 3.32Å; L214-V218 PolarHBondContact O-N 2.97Å |
| 215 | D | 97.2 | Very high | 94.6 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.4 | -46.7 | 170.6 | -176.5 | 88.4 | 0 | 0 | 0 | 112.1 | L44 L48 S52 N53 I54 L211 K217 V218 G219 | L44-D215 HydrophobicContact CD2-CB 3.92Å; L48-D215 HydrophobicContact CD1-CB 4.28Å; S52-D215 WeakPolarHBondContact CA-OD1 3.43Å; S52-D215 WeakPolarHBondContact CA-OD2 2.97Å; S52-D215 VanDerWaalsContact CB-OD1 3.3Å; S52-D215 WeakPolarHBondContact CB-OD1 3.27Å; S52-D215 PolarHBondContact OG-OD1 2.96Å; N53-D215 VanDerWaalsContact N-CG 3.26Å; N53-D215 PolarHBondContact N-OD1 2.89Å; N53-D215 PolarHBondContact N-OD2 2.87Å; N53-D215 PolarHBondContact ND2-O 2.79Å; N53-D215 PolarHBondContact ND2-OD2 3.46Å; I54-D215 HydrophobicContact CD1-CB 4.28Å; I54-D215 PolarHBondContact N-OD1 2.96Å; L211-D215 WeakPolarHBondContact O-CB 3.4Å; L211-D215 PolarHBondContact O-N 2.98Å; D215-K217 PolarHBondContact O-N 3.11Å; D215-V218 PolarHBondContact O-N 2.9Å; D215-G219 PolarHBondContact O-N 3.18Å |
| 216 | K | 94.3 | Very high | 94.9 | Very high | 91 Ų | 91 | 26 Ų | 26 | 40% | 0.396 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -57.9 | -46.5 | 175.3 | -78.9 | 175.2 | -171.4 | 172.2 | 0 | 111.9 | K212 E213 G219 Y220 Y507 | K212-K216 WeakPolarHBondContact O-CG 3.47Å; K212-K216 PolarHBondContact O-N 3.08Å; E213-K216 WeakPolarHBondContact O-CB 2.99Å; E213-K216 PolarHBondContact O-N 3.16Å; K216-G219 CarbonylContact O-C 3.59Å; K216-G219 WeakPolarHBondContact O-CA 3.32Å; K216-G219 PolarHBondContact O-N 3.08Å; K216-G219 VanDerWaalsContact O-N 3.14Å; K216-Y220 PolarHBondContact O-N 3.08Å; K216-Y507 VanDerWaalsContact C-OH 3.26Å; K216-Y507 HydrophobicContact CB-CE2 4.49Å; K216-Y507 WeakPolarHBondContact CB-OH 3.34Å; K216-Y507 PolarHBondContact O-OH 3.19Å |
| 217 | K | 94.9 | Very high | 95.1 | Very high | 16 Ų | 16 | 30.3 Ų | 30.3 | 7% | 0.07 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.9 | -49.5 | 174.9 | -75.7 | 171.1 | -168.8 | 165 | 0 | 112.2 | W168 Y190 E213 L214 D215 G219 Y220 L221 | W168-K217 HydrophobicContact CB-CD 4.17Å; W168-K217 HydrophobicContact CB-CG 4.07Å; W168-K217 HydrophobicContact CD2-CB 3.66Å; W168-K217 HydrophobicContact CD2-CD 4.17Å; W168-K217 HydrophobicContact CD2-CG 3.96Å; W168-K217 VanDerWaalsContact CE2-O 3.31Å; W168-K217 HydrophobicContact CE3-CB 4.2Å; W168-K217 HydrophobicContact CE3-CD 4.25Å; W168-K217 HydrophobicContact CE3-CG 4.5Å; W168-K217 HydrophobicContact CG-CB 3.85Å; W168-K217 HydrophobicContact CG-CD 4.11Å; W168-K217 HydrophobicContact CG-CG 3.69Å; W168-K217 HydrophobicContact CZ2-CB 4.03Å; W168-K217 WeakPolarHBondContact CZ2-O 2.97Å; W168-K217 VanDerWaalsContact NE1-C 3.32Å; W168-K217 PolarHBondContact NE1-O 3.43Å; Y190-K217 HydrophobicContact CE1-CD 4.33Å; Y190-K217 PolarHBondContact OH-NZ 3.36Å; E213-K217 WeakPolarHBondContact O-CG 3.47Å; E213-K217 PolarHBondContact O-N 3.01Å; E213-K217 VanDerWaalsContact O-N 3.11Å; E213-K217 WeakPolarHBondContact OE1-CE 3.19Å; E213-K217 IonicContact OE1-NZ 3.62Å; E213-K217 PolarHBondContact OE1-NZ 3.35Å; L214-K217 HydrophobicContact CD1-CD 4.4Å; L214-K217 WeakPolarHBondContact O-CB 3.25Å; L214-K217 PolarHBondContact O-N 2.97Å; D215-K217 PolarHBondContact O-N 3.11Å; K217-G219 VanDerWaalsContact C-N 3.28Å; K217-G219 PolarHBondContact O-N 2.88Å; K217-Y220 WeakPolarHBondContact O-CB 3.16Å; K217-Y220 PolarHBondContact O-N 3.15Å; K217-L221 PolarHBondContact O-N 2.95Å |
| 218 | V | 96.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.7 | -39 | 174.6 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | L33 I54 L57 L214 D215 Y220 L221 V222 I238 | L33-V218 HydrophobicContact CD1-CG2 4.34Å; I54-V218 HydrophobicContact CD1-CB 4.32Å; I54-V218 HydrophobicContact CD1-CG2 4.06Å; I54-V218 HydrophobicContact CG1-CB 3.9Å; I54-V218 HydrophobicContact CG1-CG1 3.91Å; I54-V218 HydrophobicContact CG1-CG2 4.09Å; L57-V218 HydrophobicContact CD2-CG1 4.46Å; L214-V218 WeakPolarHBondContact O-CG2 3.32Å; L214-V218 PolarHBondContact O-N 2.97Å; D215-V218 PolarHBondContact O-N 2.9Å; V218-Y220 VanDerWaalsContact C-N 3.34Å; V218-Y220 PolarHBondContact O-N 2.8Å; V218-L221 PolarHBondContact O-N 3.21Å; V218-V222 WeakPolarHBondContact O-CG2 3.21Å; V218-V222 PolarHBondContact O-N 3.45Å; V218-I238 HydrophobicContact CG1-CD1 3.7Å; V218-I238 HydrophobicContact CG2-CD1 4.44Å |
| 219 | G | 96.3 | Very high | 95.1 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 4% | 0.041 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.4 | -39.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | N53 D215 K216 K217 V222 T223 | N53-G219 VanDerWaalsContact CG-CA 3.47Å; D215-G219 PolarHBondContact O-N 3.18Å; K216-G219 CarbonylContact O-C 3.59Å; K216-G219 WeakPolarHBondContact O-CA 3.32Å; K216-G219 PolarHBondContact O-N 3.08Å; K216-G219 VanDerWaalsContact O-N 3.14Å; K217-G219 VanDerWaalsContact C-N 3.28Å; K217-G219 PolarHBondContact O-N 2.88Å; G219-V222 PolarHBondContact O-N 3.05Å; G219-T223 VanDerWaalsContact O-CB 3.3Å; G219-T223 WeakPolarHBondContact O-CB 2.98Å; G219-T223 PolarHBondContact O-N 3.21Å; G219-T223 PolarHBondContact O-OG1 2.88Å |
| 220 | Y | 96 | Very high | 95.2 | Very high | 41 Ų | 41 | 31.3 Ų | 31.3 | 16% | 0.161 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.9 | -42.4 | 174.9 | -176.4 | -96.7 | 0 | 0 | 0 | 112.1 | T169 V172 N173 K216 K217 V218 T223 S224 E506 | T169-Y220 HydrophobicContact CG2-CE1 3.96Å; T169-Y220 HydrophobicContact CG2-CE2 4.5Å; V172-Y220 HydrophobicContact CB-CD1 4.02Å; V172-Y220 HydrophobicContact CB-CE1 3.89Å; V172-Y220 HydrophobicContact CG1-CD1 3.85Å; V172-Y220 HydrophobicContact CG1-CE1 3.68Å; V172-Y220 HydrophobicContact CG2-CD1 4.25Å; N173-Y220 PolarHBondContact OD1-OH 2.97Å; K216-Y220 PolarHBondContact O-N 3.08Å; K217-Y220 WeakPolarHBondContact O-CB 3.16Å; K217-Y220 PolarHBondContact O-N 3.15Å; V218-Y220 VanDerWaalsContact C-N 3.34Å; V218-Y220 PolarHBondContact O-N 2.8Å; Y220-T223 PolarHBondContact O-N 3.49Å; Y220-S224 VanDerWaalsContact CE1-OG 3.3Å; Y220-S224 WeakPolarHBondContact CE1-OG 3.29Å; Y220-S224 VanDerWaalsContact O-CB 3.28Å; Y220-S224 WeakPolarHBondContact O-CB 3.37Å; Y220-S224 PolarHBondContact O-N 2.91Å; Y220-S224 PolarHBondContact O-OG 2.75Å; Y220-E506 HydrophobicContact CD2-CB 3.75Å; Y220-E506 HydrophobicContact CD2-CG 4.24Å; Y220-E506 HydrophobicContact CE2-CB 3.67Å; Y220-E506 HydrophobicContact CG-CB 4.3Å; Y220-E506 HydrophobicContact CG-CG 4.49Å |
| 221 | L | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.4 | -48.3 | 174.3 | 171.8 | 60.5 | 0 | 0 | 0 | 111.6 | V31 W168 V172 K217 V218 T223 S224 L225 L236 | V31-L221 HydrophobicContact CG2-CD2 4.01Å; W168-L221 HydrophobicContact CZ2-CB 4.08Å; W168-L221 HydrophobicContact CZ2-CD2 4.4Å; V172-L221 HydrophobicContact CG1-CD1 4.05Å; V172-L221 HydrophobicContact CG2-CB 4.07Å; V172-L221 HydrophobicContact CG2-CD1 4.13Å; K217-L221 PolarHBondContact O-N 2.95Å; V218-L221 PolarHBondContact O-N 3.21Å; L221-T223 PolarHBondContact O-N 3.42Å; L221-S224 PolarHBondContact O-N 2.84Å; L221-L225 HydrophobicContact CD1-CD1 4.04Å; L221-L225 HydrophobicContact CD1-CG 4.29Å; L221-L225 HydrophobicContact CG-CD1 4.25Å; L221-L225 WeakPolarHBondContact O-CG 3.43Å; L221-L225 PolarHBondContact O-N 3Å; L221-L236 HydrophobicContact CD2-CD1 4.05Å |
| 222 | V | 96.2 | Very high | 94.8 | Very high | 15 Ų | 15 | 36.9 Ų | 36.9 | 9% | 0.091 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60 | -44.2 | 177 | 164.1 | 0 | 0 | 0 | 0 | 111.5 | L57 V218 G219 L225 K226 Y231 L236 | L57-V222 HydrophobicContact CD1-CG2 4.39Å; V218-V222 WeakPolarHBondContact O-CG2 3.21Å; V218-V222 PolarHBondContact O-N 3.45Å; G219-V222 PolarHBondContact O-N 3.05Å; V222-L225 PolarHBondContact O-N 2.6Å; V222-K226 HydrophobicContact CG1-CD 4.35Å; V222-K226 WeakPolarHBondContact O-CG 3.3Å; V222-K226 PolarHBondContact O-N 3.15Å; V222-K226 VanDerWaalsContact O-N 3.12Å; V222-Y231 HydrophobicContact CB-CE2 4.36Å; V222-Y231 HydrophobicContact CG1-CD2 4.27Å; V222-Y231 HydrophobicContact CG1-CE2 3.66Å; V222-Y231 HydrophobicContact CG2-CE2 4.29Å; V222-L236 HydrophobicContact CG2-CD2 4.36Å |
| 223 | T | 96.2 | Very high | 94.4 | Very high | 64 Ų | 64 | 40.3 Ų | 40.3 | 39% | 0.393 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -67.6 | -42 | 179.3 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | G219 Y220 L221 L225 K226 N227 | G219-T223 VanDerWaalsContact O-CB 3.3Å; G219-T223 WeakPolarHBondContact O-CB 2.98Å; G219-T223 PolarHBondContact O-N 3.21Å; G219-T223 PolarHBondContact O-OG1 2.88Å; Y220-T223 PolarHBondContact O-N 3.49Å; L221-T223 PolarHBondContact O-N 3.42Å; T223-L225 VanDerWaalsContact C-N 3.34Å; T223-L225 PolarHBondContact O-N 2.84Å; T223-K226 WeakPolarHBondContact O-CB 3.29Å; T223-K226 PolarHBondContact O-N 3.49Å; T223-K226 VanDerWaalsContact O-N 3.11Å; T223-N227 VanDerWaalsContact O-CG 3.24Å; T223-N227 PolarHBondContact O-N 2.77Å; T223-N227 PolarHBondContact O-OD1 2.86Å |
| 224 | S | 96.5 | Very high | 94.3 | Very high | 12 Ų | 12 | 40 Ų | 40 | 8% | 0.084 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.4 | -38.9 | 177.6 | -57.9 | 0 | 0 | 0 | 0 | 112.1 | Y220 L221 A228 | Y220-S224 VanDerWaalsContact CE1-OG 3.3Å; Y220-S224 WeakPolarHBondContact CE1-OG 3.29Å; Y220-S224 VanDerWaalsContact O-CB 3.28Å; Y220-S224 WeakPolarHBondContact O-CB 3.37Å; Y220-S224 PolarHBondContact O-N 2.91Å; Y220-S224 PolarHBondContact O-OG 2.75Å; L221-S224 PolarHBondContact O-N 2.84Å; S224-A228 WeakPolarHBondContact O-CB 3.5Å; S224-A228 PolarHBondContact O-N 3.49Å; S224-A228 VanDerWaalsContact O-N 3.08Å |
| 225 | L | 96.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.1 | -37.7 | 172.5 | -75 | 167.4 | 0 | 0 | 0 | 112.5 | I29 I176 L179 L221 V222 T223 G229 L230 Y231 V234 L236 | I29-L225 HydrophobicContact CD1-CD1 4.09Å; I29-L225 HydrophobicContact CD1-CD2 3.9Å; I176-L225 HydrophobicContact CD1-CD2 3.61Å; I176-L225 HydrophobicContact CD1-CG 3.9Å; L179-L225 HydrophobicContact CD1-CD2 4.23Å; L221-L225 HydrophobicContact CD1-CD1 4.04Å; L221-L225 HydrophobicContact CD1-CG 4.29Å; L221-L225 HydrophobicContact CG-CD1 4.25Å; L221-L225 WeakPolarHBondContact O-CG 3.43Å; L221-L225 PolarHBondContact O-N 3Å; V222-L225 PolarHBondContact O-N 2.6Å; T223-L225 VanDerWaalsContact C-N 3.34Å; T223-L225 PolarHBondContact O-N 2.84Å; L225-G229 PolarHBondContact O-N 3.45Å; L225-L230 HydrophobicContact CD2-CB 3.9Å; L225-L230 HydrophobicContact CD2-CD1 4.42Å; L225-L230 WeakPolarHBondContact O-CA 3.38Å; L225-L230 PolarHBondContact O-N 3.14Å; L225-Y231 HydrophobicContact CB-CD2 4.13Å; L225-Y231 PolarHBondContact O-N 2.95Å; L225-V234 HydrophobicContact CD2-CG2 4.39Å; L225-L236 HydrophobicContact CD1-CD2 4.1Å |
| 226 | K | 95.7 | Very high | 93.9 | Very high | 111 Ų | 111 | 40.1 Ų | 40.1 | 48% | 0.483 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -68.1 | -47.6 | 176.2 | -72.8 | 174.5 | 179.5 | -178.7 | 0 | 111.5 | V222 T223 A228 G229 Y231 | V222-K226 HydrophobicContact CG1-CD 4.35Å; V222-K226 WeakPolarHBondContact O-CG 3.3Å; V222-K226 PolarHBondContact O-N 3.15Å; V222-K226 VanDerWaalsContact O-N 3.12Å; T223-K226 WeakPolarHBondContact O-CB 3.29Å; T223-K226 PolarHBondContact O-N 3.49Å; T223-K226 VanDerWaalsContact O-N 3.11Å; K226-A228 PolarHBondContact O-N 3.16Å; K226-G229 PolarHBondContact O-N 3.27Å; K226-Y231 HydrophobicContact CD-CD1 4.49Å; K226-Y231 HydrophobicContact CD-CD2 4.5Å; K226-Y231 HydrophobicContact CD-CG 4.34Å; K226-Y231 HydrophobicContact CG-CD1 3.98Å; K226-Y231 HydrophobicContact CG-CD2 3.86Å; K226-Y231 HydrophobicContact CG-CG 3.51Å |
| 227 | N | 95.1 | Very high | 93.8 | Very high | 136 Ų | 136 | 36.1 Ų | 36.1 | 73% | 0.727 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -61.4 | -31.8 | 179.2 | -66.8 | -1.1 | 0 | 0 | 0 | 112.3 | T223 G229 | T223-N227 VanDerWaalsContact O-CG 3.24Å; T223-N227 PolarHBondContact O-N 2.77Å; T223-N227 PolarHBondContact O-OD1 2.86Å; N227-G229 VanDerWaalsContact C-N 3.32Å |
| 228 | A | 93.7 | Very high | 93.8 | Very high | 32 Ų | 32 | 35.5 Ų | 35.5 | 26% | 0.264 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 1.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | I176 S224 K226 L230 | I176-A228 HydrophobicContact CG2-CB 3.59Å; S224-A228 WeakPolarHBondContact O-CB 3.5Å; S224-A228 PolarHBondContact O-N 3.49Å; S224-A228 VanDerWaalsContact O-N 3.08Å; K226-A228 PolarHBondContact O-N 3.16Å; A228-L230 HydrophobicContact CB-CB 4.42Å; A228-L230 HydrophobicContact CB-CD1 3.88Å; A228-L230 HydrophobicContact CB-CG 3.96Å; A228-L230 PolarHBondContact O-N 2.62Å |
| 229 | G | 93.3 | Very high | 93.7 | Very high | 46 Ų | 46 | 35.7 Ų | 35.7 | 47% | 0.474 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 12.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L225 K226 N227 H233 | L225-G229 PolarHBondContact O-N 3.45Å; K226-G229 PolarHBondContact O-N 3.27Å; N227-G229 VanDerWaalsContact C-N 3.32Å; G229-H233 PolarHBondContact O-ND1 3.32Å |
| 230 | L | 93.3 | Very high | 93.6 | Very high | 15 Ų | 15 | 35.5 Ų | 35.5 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | trans | -92 | -20.1 | -173.7 | -69.5 | 175.6 | 0 | 0 | 0 | 113.6 | K27 I176 L179 M180 L225 A228 D232 H233 V234 | K27-L230 HydrophobicContact CD-CD2 4.5Å; I176-L230 HydrophobicContact CD1-CD1 4.39Å; I176-L230 HydrophobicContact CG2-CD1 4.46Å; L179-L230 HydrophobicContact CB-CD1 3.75Å; L179-L230 HydrophobicContact CD1-CD1 4.2Å; M180-L230 HydrophobicContact CG-CD1 4.32Å; L225-L230 HydrophobicContact CD2-CB 3.9Å; L225-L230 HydrophobicContact CD2-CD1 4.42Å; L225-L230 WeakPolarHBondContact O-CA 3.38Å; L225-L230 PolarHBondContact O-N 3.14Å; A228-L230 HydrophobicContact CB-CB 4.42Å; A228-L230 HydrophobicContact CB-CD1 3.88Å; A228-L230 HydrophobicContact CB-CG 3.96Å; A228-L230 PolarHBondContact O-N 2.62Å; L230-D232 PolarHBondContact O-N 2.03Å; L230-H233 CarbonylContact O-C 3.57Å; L230-H233 WeakPolarHBondContact O-CA 3.27Å; L230-H233 PolarHBondContact O-N 3.46Å; L230-V234 HydrophobicContact CB-CG2 3.97Å; L230-V234 WeakPolarHBondContact O-CB 3.1Å; L230-V234 VanDerWaalsContact O-CG2 3.28Å; L230-V234 WeakPolarHBondContact O-CG2 3.49Å; L230-V234 PolarHBondContact O-N 3.21Å | ||
| 231 | Y | 92.7 | Very high | 93.4 | Very high | 22 Ų | 22 | 33.6 Ų | 33.6 | 9% | 0.086 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -53.7 | -51.3 | -169.9 | -174.1 | -102.5 | 0 | 0 | 0 | 114.2 | V222 L225 K226 H233 H356 | V222-Y231 HydrophobicContact CB-CE2 4.36Å; V222-Y231 HydrophobicContact CG1-CD2 4.27Å; V222-Y231 HydrophobicContact CG1-CE2 3.66Å; V222-Y231 HydrophobicContact CG2-CE2 4.29Å; L225-Y231 HydrophobicContact CB-CD2 4.13Å; L225-Y231 PolarHBondContact O-N 2.95Å; K226-Y231 HydrophobicContact CD-CD1 4.49Å; K226-Y231 HydrophobicContact CD-CD2 4.5Å; K226-Y231 HydrophobicContact CD-CG 4.34Å; K226-Y231 HydrophobicContact CG-CD1 3.98Å; K226-Y231 HydrophobicContact CG-CD2 3.86Å; K226-Y231 HydrophobicContact CG-CG 3.51Å; Y231-H233 PolarHBondContact O-N 3.22Å; Y231-H356 AromaticContact CE1-CD2 3.87Å; Y231-H356 AromaticContact CE1-NE2 3.22Å; Y231-H356 WeakPolarHBondContact CE1-NE2 3.47Å; Y231-H356 AromaticContact CZ-CD2 3.52Å; Y231-H356 AromaticContact CZ-CE1 3.96Å; Y231-H356 AromaticContact CZ-NE2 3.26Å; Y231-H356 VanDerWaalsContact CZ-NE2 3.26Å; Y231-H356 PolarHBondContact OH-CD2 2.56Å; Y231-H356 PolarHBondContact OH-CE1 3.36Å; Y231-H356 PolarHBondContact OH-NE2 2.99Å; Y231-H356 VanDerWaalsContact OH-NE2 3.15Å |
| 232 | D | 87.8 | Confident | 93.3 | Very high | 96 Ų | 96 | 33.6 Ų | 33.6 | 51% | 0.513 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -79.7 | -5.4 | 179.3 | -57.5 | -75.7 | 0 | 0 | 0 | 113.5 | L230 | L230-D232 PolarHBondContact O-N 2.03Š|
| 233 | H | 88.1 | Confident | 93.2 | Very high | 130 Ų | 130 | 32.9 Ų | 32.9 | 60% | 0.602 | 18% | 0.183 | S | C | * | . | G | 310 helix | trans | -108.6 | -3 | -177.3 | -60.7 | 109.7 | 0 | 0 | 0 | 113.7 | G229 L230 Y231 | G229-H233 PolarHBondContact O-ND1 3.32Å; L230-H233 CarbonylContact O-C 3.57Å; L230-H233 WeakPolarHBondContact O-CA 3.27Å; L230-H233 PolarHBondContact O-N 3.46Å; Y231-H233 PolarHBondContact O-N 3.22Å |
| 234 | V | 90 | Very high | 93.1 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.012 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 135.2 | -177 | 170.4 | 0 | 0 | 0 | 0 | 110.2 | K27 I29 L225 L230 L236 G357 | K27-V234 HydrophobicContact CB-CG2 3.85Å; K27-V234 CarbonylContact O-C 3.3Å; K27-V234 WeakPolarHBondContact O-CA 3.4Å; I29-V234 HydrophobicContact CD1-CG1 3.72Å; I29-V234 HydrophobicContact CG1-CG1 3.75Å; L225-V234 HydrophobicContact CD2-CG2 4.39Å; L230-V234 HydrophobicContact CB-CG2 3.97Å; L230-V234 WeakPolarHBondContact O-CB 3.1Å; L230-V234 VanDerWaalsContact O-CG2 3.28Å; L230-V234 WeakPolarHBondContact O-CG2 3.49Å; L230-V234 PolarHBondContact O-N 3.21Å; V234-L236 PolarHBondContact O-N 3.34Å; V234-G357 WeakPolarHBondContact O-CA 3.17Å |
| 235 | N | 91 | Very high | 92.9 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 105.6 | 165.3 | -61.1 | -47.9 | 0 | 0 | 0 | 109 | K27 T28 I29 H356 P358 L359 F360 | K27-N235 PolarHBondContact O-N 3.45Å; T28-N235 CarbonylContact C-O 3.56Å; T28-N235 VanDerWaalsContact CA-O 3.3Å; T28-N235 WeakPolarHBondContact CA-O 3.48Å; T28-N235 HydrophobicContact CG2-CB 4.05Å; T28-N235 PolarHBondContact OG1-ND2 3.29Å; I29-N235 PolarHBondContact N-O 3.39Å; N235-H356 CarbonylContact C-O 3.29Å; N235-H356 WeakPolarHBondContact CA-O 3.5Å; N235-P358 WeakPolarHBondContact OD1-CD 3.06Å; N235-L359 VanDerWaalsContact ND2-CD1 3.3Å; N235-L359 WeakPolarHBondContact ND2-CD1 3.43Å; N235-L359 PolarHBondContact OD1-N 2.8Å; N235-F360 HydrophobicContact CB-CE2 3.92Å |
| 236 | L | 92.8 | Very high | 92.8 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 113.2 | 176.7 | 173.5 | 61.9 | 0 | 0 | 0 | 109.9 | I29 V31 L221 V222 L225 V234 I238 A355 H356 | I29-L236 HydrophobicContact CB-CD1 4.09Å; I29-L236 HydrophobicContact CG2-CD1 4.2Å; V31-L236 HydrophobicContact CG2-CD1 3.88Å; L221-L236 HydrophobicContact CD2-CD1 4.05Å; V222-L236 HydrophobicContact CG2-CD2 4.36Å; L225-L236 HydrophobicContact CD1-CD2 4.1Å; V234-L236 PolarHBondContact O-N 3.34Å; L236-I238 HydrophobicContact CD1-CG1 4.09Å; L236-I238 HydrophobicContact CD2-CD1 4.31Å; L236-I238 HydrophobicContact CG-CD1 4.44Å; L236-I238 HydrophobicContact CG-CG1 4.12Å; L236-A355 WeakPolarHBondContact O-CA 3.37Å; L236-H356 HydrophobicContact CB-CB 4.49Å; L236-H356 PolarHBondContact N-O 3.01Å; L236-H356 PolarHBondContact O-N 3.07Å |
| 237 | I | 92 | Very high | 92.4 | Very high | 7 Ų | 7 | 29.5 Ų | 29.5 | 4% | 0.036 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 125.1 | 173.2 | -54.1 | 173.5 | 0 | 0 | 0 | 107.9 | I29 L30 V31 F353 I354 A355 F360 F388 | I29-I237 PolarHBondContact O-N 2.83Å; L30-I237 HydrophobicContact CD1-CB 3.8Å; L30-I237 HydrophobicContact CD1-CG2 3.59Å; V31-I237 PolarHBondContact N-O 2.7Å; I237-F353 HydrophobicContact CG2-CD2 4.46Å; I237-F353 HydrophobicContact CG2-CE2 3.67Å; I237-F353 HydrophobicContact CG2-CZ 3.97Å; I237-I354 CarbonylContact C-O 3.6Å; I237-I354 WeakPolarHBondContact CA-O 3.4Å; I237-A355 HydrophobicContact CG1-CB 4.37Å; I237-F360 HydrophobicContact CD1-CZ 4.05Å; I237-F360 HydrophobicContact CG1-CE2 4.16Å; I237-F360 HydrophobicContact CG1-CZ 3.94Å; I237-F388 HydrophobicContact CD1-CB 4.3Å; I237-F388 HydrophobicContact CD1-CD1 3.96Å; I237-F388 HydrophobicContact CD1-CG 4.3Å |
| 238 | I | 94.5 | Very high | 91.9 | Very high | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.015 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 122.3 | 172.7 | -52.6 | -176.8 | 0 | 0 | 0 | 108.2 | V31 L33 L57 V218 L236 L352 F353 I354 | V31-I238 HydrophobicContact CB-CG1 4.26Å; V31-I238 HydrophobicContact CB-CG2 4.49Å; V31-I238 HydrophobicContact CG2-CG1 4.46Å; V31-I238 WeakPolarHBondContact O-CA 3.26Å; L33-I238 HydrophobicContact CD1-CG2 3.74Å; L33-I238 HydrophobicContact CG-CG2 4.08Å; L57-I238 HydrophobicContact CD2-CD1 3.67Å; V218-I238 HydrophobicContact CG1-CD1 3.7Å; V218-I238 HydrophobicContact CG2-CD1 4.44Å; L236-I238 HydrophobicContact CD1-CG1 4.09Å; L236-I238 HydrophobicContact CD2-CD1 4.31Å; L236-I238 HydrophobicContact CG-CD1 4.44Å; L236-I238 HydrophobicContact CG-CG1 4.12Å; I238-L352 HydrophobicContact CG2-CD2 4.11Å; I238-F353 CarbonylContact O-C 3.47Å; I238-I354 HydrophobicContact CB-CB 4.49Å; I238-I354 PolarHBondContact N-O 2.96Å; I238-I354 PolarHBondContact O-N 3.46Å |
| 239 | T | 94.6 | Very high | 91.5 | Very high | 6 Ų | 6 | 27.3 Ų | 27.3 | 4% | 0.037 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | -178.4 | -176.1 | -166.7 | 0 | 0 | 0 | 0 | 111.5 | L30 V31 S32 L33 M83 L352 | L30-T239 HydrophobicContact CD1-CG2 3.88Å; V31-T239 PolarHBondContact O-N 2.86Å; S32-T239 WeakPolarHBondContact CA-O 3.41Å; L33-T239 PolarHBondContact N-O 3.42Å; M83-T239 HydrophobicContact CE-CG2 3.51Å; T239-L352 WeakPolarHBondContact CA-O 3.26Å; T239-L352 WeakPolarHBondContact CB-O 3.33Å; T239-L352 PolarHBondContact OG1-O 2.84Å |
| 240 | S | 94.7 | Very high | 91 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | trans | -132.3 | 164.8 | 168.8 | -179.7 | 0 | 0 | 0 | 0 | 108.6 | L33 G35 F36 H242 A351 L352 | L33-S240 WeakPolarHBondContact O-CB 3.4Å; L33-S240 PolarHBondContact O-OG 3.07Å; G35-S240 PolarHBondContact N-OG 2.93Å; F36-S240 PolarHBondContact N-OG 3.07Å; F36-S240 WeakPolarHBondContact O-CB 3.41Å; S240-H242 PolarHBondContact OG-N 2.67Å; S240-H242 PolarHBondContact OG-O 3.05Å; S240-A351 WeakPolarHBondContact O-CB 3.24Å; S240-L352 PolarHBondContact N-O 2.7Å | ||
| 241 | D | 90.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -89.6 | -31.2 | 174 | 57.8 | -14.2 | 0 | 0 | 0 | 112.9 | G35 S70 T76 N79 H80 M83 | G35-D241 PolarHBondContact N-OD1 3.43Å; S70-D241 VanDerWaalsContact CB-O 3.22Å; S70-D241 WeakPolarHBondContact CB-O 3.4Å; S70-D241 PolarHBondContact OG-O 3.03Å; T76-D241 WeakPolarHBondContact CA-OD2 3.29Å; T76-D241 VanDerWaalsContact CG2-OD2 3.26Å; T76-D241 WeakPolarHBondContact CG2-OD2 3.41Å; N79-D241 HydrophobicContact CB-CB 3.86Å; N79-D241 WeakPolarHBondContact CB-O 3.42Å; H80-D241 VanDerWaalsContact CE1-CG 3.42Å; H80-D241 IonicContact CE1-OD2 2.68Å; H80-D241 PolarHBondContact CE1-OD2 2.91Å; H80-D241 IonicContact ND1-OD2 3.25Å; H80-D241 PolarHBondContact ND1-OD2 2.66Å; M83-D241 HydrophobicContact SD-CB 4.09Å |
| 242 | H | 94.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -153 | 172.8 | 171 | 47.1 | 78 | 0 | 0 | 0 | 113.5 | D34 G35 S70 T74 V75 T76 D194 S240 H340 | D34-H242 IonicContact OD1-CE1 3.64Å; D34-H242 PolarHBondContact OD1-CE1 3.38Å; D34-H242 IonicContact OD1-NE2 2.85Å; G35-H242 CarbonylContact C-O 3.57Å; G35-H242 WeakPolarHBondContact CA-O 3.2Å; S70-H242 WeakPolarHBondContact OG-CA 3.43Å; T74-H242 WeakPolarHBondContact O-CB 3.44Å; T74-H242 PolarHBondContact O-CD2 3.36Å; V75-H242 VanDerWaalsContact C-CD2 3.45Å; T76-H242 PolarHBondContact N-CD2 3.29Å; T76-H242 PolarHBondContact N-NE2 3.22Å; T76-H242 PolarHBondContact OG1-NE2 3.46Å; T76-H242 VanDerWaalsContact OG1-NE2 3.17Å; D194-H242 IonicContact OD1-CE1 2.69Å; S240-H242 PolarHBondContact OG-N 2.67Å; S240-H242 PolarHBondContact OG-O 3.05Å; H242-H340 AromaticContact CD2-ND1 3.67Å; H242-H340 AromaticContact CE1-CD2 3.78Å; H242-H340 AromaticContact CE1-CE1 3.23Å; H242-H340 PolarHBondContact CE1-CE1 2.78Å; H242-H340 AromaticContact CE1-CG 3.54Å; H242-H340 AromaticContact CE1-ND1 3.19Å; H242-H340 PolarHBondContact CE1-ND1 3.09Å; H242-H340 AromaticContact CE1-NE2 3.66Å; H242-H340 AromaticContact CG-ND1 3.75Å; H242-H340 AromaticContact ND1-CE1 3.96Å; H242-H340 AromaticContact ND1-CG 3.57Å; H242-H340 AromaticContact ND1-ND1 3.45Å; H242-H340 PolarHBondContact ND1-ND1 3.04Å; H242-H340 AromaticContact NE2-CE1 3.18Å; H242-H340 PolarHBondContact NE2-CE1 3.36Å; H242-H340 AromaticContact NE2-ND1 3.25Å; H242-H340 PolarHBondContact NE2-ND1 3.45Å; H242-H340 AromaticContact NE2-NE2 4Å | ||
| 243 | G | 93.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -88.8 | -162.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R348 M349 | G243-R348 CarbonylContact C-O 3.5Å; G243-R348 WeakPolarHBondContact CA-O 3.32Å; G243-M349 PolarHBondContact N-O 3.27Å; G243-M349 VanDerWaalsContact N-O 3.07Å | ||
| 244 | M | 94.3 | Very high | 90.2 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | trans | -144.8 | 133.1 | -177.3 | -178.8 | 59.7 | 67.1 | 0 | 0 | 109.5 | D194 P202 Q339 R348 | D194-M244 WeakPolarHBondContact OD1-CE 3.31Å; P202-M244 HydrophobicContact CB-CB 4.32Å; P202-M244 HydrophobicContact CB-CG 3.98Å; P202-M244 HydrophobicContact CG-CG 4.17Å; M244-Q339 PolarHBondContact SD-N 3.08Å; M244-Q339 VanDerWaalsContact SD-N 3.36Å; M244-R348 PolarHBondContact N-O 2.85Å | ||
| 245 | A | 93.2 | Very high | 90 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 148.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | P324 G338 Q339 Y342 R348 M349 | A245-P324 HydrophobicContact CB-CB 3.9Å; A245-G338 CarbonylContact O-C 3.53Å; A245-G338 WeakPolarHBondContact O-CA 3.43Å; A245-Q339 PolarHBondContact N-O 3.42Å; A245-Q339 PolarHBondContact O-N 3.45Å; A245-Y342 HydrophobicContact CB-CD2 4.2Å; A245-Y342 HydrophobicContact CB-CE2 3.89Å; A245-R348 HydrophobicContact CB-CB 4.05Å; A245-M349 HydrophobicContact CB-CE 3.89Å |
| 246 | K | 92.7 | Very high | 90.1 | Very high | 94 Ų | 94 | 31.9 Ų | 31.9 | 41% | 0.409 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 144.9 | 168.5 | -172.3 | -165.5 | 165.1 | -141.5 | 0 | 109.2 | P202 D248 G325 A337 | P202-K246 HydrophobicContact CG-CB 4.17Å; K246-D248 WeakPolarHBondContact CD-OD1 3.49Å; K246-D248 WeakPolarHBondContact CE-OD1 3.36Å; K246-D248 IonicContact NZ-OD1 3.78Å; K246-D248 PolarHBondContact NZ-OD1 3.29Å; K246-G325 WeakPolarHBondContact O-CA 3.33Å; K246-A337 WeakPolarHBondContact CA-O 3.29Å |
| 247 | V | 87.6 | Confident | 89.8 | Confident | 21 Ų | 21 | 35.4 Ų | 35.4 | 13% | 0.127 | 18% | 0.184 | C | C | . | . | trans | -87.1 | 127.8 | 166.1 | 179.8 | 0 | 0 | 0 | 0 | 109.2 | V327 L336 A337 Q339 | V247-V327 HydrophobicContact CB-CG2 4.41Å; V247-V327 HydrophobicContact CG1-CB 4.48Å; V247-V327 HydrophobicContact CG1-CG2 3.75Å; V247-V327 HydrophobicContact CG2-CG2 3.74Å; V247-L336 WeakPolarHBondContact CB-O 3.27Å; V247-L336 HydrophobicContact CG2-CB 4.23Å; V247-A337 PolarHBondContact N-O 2.83Å; V247-Q339 HydrophobicContact CG2-CB 3.75Å | ||
| 248 | D | 85.9 | Confident | 89.8 | Confident | 89 Ų | 89 | 38.3 Ų | 38.3 | 48% | 0.476 | 20% | 0.199 | S | C | . | . | trans | -115.5 | -29.2 | 179.6 | -63.6 | -55 | 0 | 0 | 0 | 111.9 | K246 G325 | K246-D248 WeakPolarHBondContact CD-OD1 3.49Å; K246-D248 WeakPolarHBondContact CE-OD1 3.36Å; K246-D248 IonicContact NZ-OD1 3.78Å; K246-D248 PolarHBondContact NZ-OD1 3.29Å; D248-G325 WeakPolarHBondContact CA-O 3.48Å; D248-G325 PolarHBondContact N-O 3.36Å | ||
| 249 | A | 85 | Confident | 89.8 | Confident | 33 Ų | 33 | 38.4 Ų | 38.4 | 27% | 0.273 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 152.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G325 Y326 V327 | A249-G325 PolarHBondContact N-O 3.07Å; A249-Y326 HydrophobicContact CB-CD1 4.06Å; A249-Y326 HydrophobicContact CB-CE1 3.89Å; A249-Y326 HydrophobicContact CB-CG 4.48Å; A249-Y326 CarbonylContact O-C 3.48Å; A249-Y326 WeakPolarHBondContact O-CA 3.4Å; A249-V327 PolarHBondContact O-N 3.34Å |
| 250 | I | 83 | Confident | 89.7 | Confident | 74 Ų | 74 | 38.2 Ų | 38.2 | 38% | 0.379 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 122.1 | 174.5 | -56.3 | 174.1 | 0 | 0 | 0 | 108.9 | V327 N329 G334 | I250-V327 HydrophobicContact CG1-CB 4.44Å; I250-N329 HydrophobicContact CG2-CB 3.85Å; I250-G334 VanDerWaalsContact CD1-O 3.22Å; I250-G334 WeakPolarHBondContact CD1-O 3.18Å |
| 251 | R | 84.7 | Confident | 89.5 | Confident | 80 Ų | 80 | 42.7 Ų | 42.7 | 30% | 0.302 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 110 | 171.4 | -168.4 | 61.5 | 159.4 | 162.7 | -4 | 108.9 | I253 F289 T291 V295 V327 L328 N329 | R251-I253 HydrophobicContact CG-CG1 4.28Å; R251-F289 PolarHBondContact NE-O 3.4Å; R251-F289 PolarHBondContact NH2-O 3.15Å; R251-T291 PolarHBondContact NH2-OG1 3.4Å; R251-V295 HydrophobicContact CB-CG2 4.25Å; R251-V295 HydrophobicContact CG-CG2 4.18Å; R251-V327 PolarHBondContact N-O 3Å; R251-L328 HydrophobicContact CB-CD2 4.43Å; R251-N329 PolarHBondContact O-N 3.47Å |
| 252 | T | 85.8 | Confident | 89.4 | Confident | 48 Ų | 48 | 46.9 Ų | 46.9 | 29% | 0.294 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 124.8 | 174.6 | -54.6 | 0 | 0 | 0 | 0 | 109.4 | F289 N329 V330 | T252-F289 WeakPolarHBondContact O-CD1 3.28Å; T252-N329 CarbonylContact C-O 3.48Å; T252-N329 VanDerWaalsContact CA-O 3.31Å; T252-N329 WeakPolarHBondContact CA-O 3.26Å; T252-V330 VanDerWaalsContact CG2-O 3.26Å; T252-V330 WeakPolarHBondContact CG2-O 3.34Å |
| 253 | I | 86.4 | Confident | 88.9 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | trans | -122.8 | 105.9 | 176.6 | -54.4 | -176.8 | 0 | 0 | 0 | 107.6 | R251 W270 L286 F289 V295 V320 L328 N329 | R251-I253 HydrophobicContact CG-CG1 4.28Å; I253-W270 HydrophobicContact CB-CH2 3.89Å; I253-W270 HydrophobicContact CB-CZ3 4.13Å; I253-W270 HydrophobicContact CG2-CH2 4.36Å; I253-W270 HydrophobicContact CG2-CZ3 4.11Å; I253-W270 VanDerWaalsContact O-CH2 3.26Å; I253-W270 WeakPolarHBondContact O-CH2 3.05Å; I253-L286 HydrophobicContact CG2-CD2 4.13Å; I253-F289 HydrophobicContact CB-CD1 4.27Å; I253-F289 HydrophobicContact CB-CG 4.35Å; I253-F289 HydrophobicContact CD1-CB 3.87Å; I253-F289 HydrophobicContact CD1-CG 4.27Å; I253-F289 HydrophobicContact CG1-CB 3.9Å; I253-F289 HydrophobicContact CG1-CD1 3.85Å; I253-F289 HydrophobicContact CG1-CG 3.84Å; I253-F289 HydrophobicContact CG2-CD1 4.29Å; I253-F289 HydrophobicContact CG2-CD2 3.93Å; I253-F289 HydrophobicContact CG2-CE1 4.49Å; I253-F289 HydrophobicContact CG2-CE2 4.17Å; I253-F289 HydrophobicContact CG2-CG 4.01Å; I253-F289 HydrophobicContact CG2-CZ 4.45Å; I253-V295 HydrophobicContact CD1-CG1 4.49Å; I253-V320 HydrophobicContact CD1-CG1 4.47Å; I253-L328 HydrophobicContact CD1-CD2 4.1Å; I253-N329 PolarHBondContact N-O 3.31Å | ||
| 254 | P | 87 | Confident | 88.3 | Confident | 62 Ų | 62 | 51 Ų | 51 | 40% | 0.403 | 25% | 0.252 | S | S | . | . | trans | -61 | 139.9 | 176.7 | -23.3 | 34.2 | 0 | 0 | 0 | 111.5 | Y285 | P254-Y285 PolarHBondContact O-OH 2.61Š| ||
| 255 | I | 87.4 | Confident | 87.6 | Confident | 47 Ų | 47 | 54 Ų | 54 | 24% | 0.241 | 27% | 0.272 | C | S | . | . | trans | -76.2 | 125.9 | 173.8 | -72.3 | 164.8 | 0 | 0 | 0 | 109.5 | T257 F260 W263 W270 V330 | I255-T257 HydrophobicContact CG2-CG2 4.09Å; I255-F260 HydrophobicContact CG1-CE2 4.47Å; I255-F260 HydrophobicContact CG2-CD2 4.04Å; I255-F260 HydrophobicContact CG2-CE2 4.45Å; I255-W263 HydrophobicContact CD1-CZ2 4.12Å; I255-W263 HydrophobicContact CG2-CD2 4.34Å; I255-W263 HydrophobicContact CG2-CE3 4.42Å; I255-W263 HydrophobicContact CG2-CH2 3.76Å; I255-W263 HydrophobicContact CG2-CZ2 3.65Å; I255-W263 HydrophobicContact CG2-CZ3 4.15Å; I255-W270 HydrophobicContact CG1-CH2 4.48Å; I255-W270 HydrophobicContact CG1-CZ3 4.32Å; I255-V330 HydrophobicContact CD1-CB 4.31Å; I255-V330 HydrophobicContact CD1-CG1 3.64Å; I255-V330 HydrophobicContact CD1-CG2 3.61Å; I255-V330 HydrophobicContact CG1-CG1 3.96Å; I255-V330 HydrophobicContact CG1-CG2 4.14Å | ||
| 256 | R | 91.2 | Very high | 87.3 | Confident | 98 Ų | 98 | 55.9 Ų | 55.9 | 37% | 0.37 | 28% | 0.28 | S | S | . | . | trans | -101.4 | 93.4 | 176.3 | -77.6 | -73 | -66.4 | -89.9 | -1.2 | 110.1 | D258 L259 F260 Y285 | R256-D258 WeakPolarHBondContact CB-OD1 3.24Å; R256-D258 WeakPolarHBondContact CD-OD1 3.3Å; R256-D258 IonicContact CZ-OD1 2.71Å; R256-D258 IonicContact CZ-OD2 2.68Å; R256-D258 IonicContact NE-OD1 2.78Å; R256-D258 PolarHBondContact NE-OD1 2.88Å; R256-D258 IonicContact NE-OD2 3.63Å; R256-D258 PolarHBondContact NE-OD2 3.47Å; R256-D258 VanDerWaalsContact NE-OD2 3.16Å; R256-D258 IonicContact NH2-OD1 2.68Å; R256-D258 IonicContact NH2-OD2 3.45Å; R256-D258 PolarHBondContact NH2-OD2 2.9Å; R256-D258 PolarHBondContact O-N 2.83Å; R256-L259 HydrophobicContact CB-CB 4.01Å; R256-L259 HydrophobicContact CB-CD1 3.98Å; R256-L259 HydrophobicContact CB-CG 4.09Å; R256-L259 HydrophobicContact CG-CD1 4.28Å; R256-L259 PolarHBondContact O-N 2.91Å; R256-F260 HydrophobicContact CB-CE1 4.34Å; R256-F260 PolarHBondContact O-N 3.25Å; R256-Y285 HydrophobicContact CB-CD1 4.43Å; R256-Y285 HydrophobicContact CB-CE1 4.11Å; R256-Y285 HydrophobicContact CG-CD1 4.05Å; R256-Y285 HydrophobicContact CG-CD2 4.19Å; R256-Y285 HydrophobicContact CG-CE1 3.53Å; R256-Y285 HydrophobicContact CG-CE2 3.68Å; R256-Y285 HydrophobicContact CG-CG 4.36Å | ||
| 257 | T | 88.2 | Confident | 86.9 | Confident | 78 Ų | 78 | 53.9 Ų | 53.9 | 48% | 0.479 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -7.9 | -179.1 | 53.5 | 0 | 0 | 0 | 0 | 114.2 | I255 W263 K275 | I255-T257 HydrophobicContact CG2-CG2 4.09Å; T257-W263 HydrophobicContact CG2-CH2 4.03Å; T257-K275 WeakPolarHBondContact O-CE 3.12Å; T257-K275 PolarHBondContact O-NZ 3.46Å |
| 258 | D | 92 | Very high | 87.1 | Confident | 69 Ų | 69 | 52.9 Ų | 52.9 | 37% | 0.369 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -28.5 | 168.9 | 59.9 | -53.4 | 0 | 0 | 0 | 112.5 | R256 K275 | R256-D258 WeakPolarHBondContact CB-OD1 3.24Å; R256-D258 WeakPolarHBondContact CD-OD1 3.3Å; R256-D258 IonicContact CZ-OD1 2.71Å; R256-D258 IonicContact CZ-OD2 2.68Å; R256-D258 IonicContact NE-OD1 2.78Å; R256-D258 PolarHBondContact NE-OD1 2.88Å; R256-D258 IonicContact NE-OD2 3.63Å; R256-D258 PolarHBondContact NE-OD2 3.47Å; R256-D258 VanDerWaalsContact NE-OD2 3.16Å; R256-D258 IonicContact NH2-OD1 2.68Å; R256-D258 IonicContact NH2-OD2 3.45Å; R256-D258 PolarHBondContact NH2-OD2 2.9Å; R256-D258 PolarHBondContact O-N 2.83Å; D258-K275 WeakPolarHBondContact O-CD 3.4Å |
| 259 | L | 94.2 | Very high | 87.5 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -43.1 | 178.5 | -63.3 | 179.2 | 0 | 0 | 0 | 112.7 | R256 K275 K278 E281 T282 Y285 | R256-L259 HydrophobicContact CB-CB 4.01Å; R256-L259 HydrophobicContact CB-CD1 3.98Å; R256-L259 HydrophobicContact CB-CG 4.09Å; R256-L259 HydrophobicContact CG-CD1 4.28Å; R256-L259 PolarHBondContact O-N 2.91Å; L259-K275 PolarHBondContact O-N 2.97Å; L259-K278 HydrophobicContact CD2-CD 4.48Å; L259-E281 HydrophobicContact CD2-CB 3.75Å; L259-T282 PolarHBondContact O-OG1 3.43Å; L259-Y285 HydrophobicContact CD1-CD1 4.1Å; L259-Y285 HydrophobicContact CD1-CD2 4.45Å; L259-Y285 HydrophobicContact CD1-CG 3.78Å |
| 260 | F | 91.7 | Very high | 87.9 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.009 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 130.2 | -174.3 | -50.7 | -6 | 0 | 0 | 0 | 109.9 | I255 R256 W263 V272 T282 Y285 L286 | I255-F260 HydrophobicContact CG1-CE2 4.47Å; I255-F260 HydrophobicContact CG2-CD2 4.04Å; I255-F260 HydrophobicContact CG2-CE2 4.45Å; R256-F260 HydrophobicContact CB-CE1 4.34Å; R256-F260 PolarHBondContact O-N 3.25Å; F260-W263 HydrophobicContact CB-CE3 3.63Å; F260-W263 HydrophobicContact CB-CZ3 3.96Å; F260-W263 HydrophobicContact CD2-CD2 4.45Å; F260-W263 HydrophobicContact CD2-CE3 4.17Å; F260-W263 HydrophobicContact CG-CE3 4.45Å; F260-V272 HydrophobicContact CB-CG1 4.42Å; F260-V272 HydrophobicContact CD1-CG1 3.93Å; F260-V272 HydrophobicContact CD2-CG1 4.26Å; F260-V272 HydrophobicContact CE1-CG1 4.31Å; F260-V272 HydrophobicContact CG-CG1 3.94Å; F260-T282 HydrophobicContact CD1-CG2 3.71Å; F260-T282 HydrophobicContact CE1-CG2 3.75Å; F260-Y285 AromaticContact CE1-CD1 3.92Å; F260-Y285 HydrophobicContact CE1-CD1 3.92Å; F260-Y285 HydrophobicContact CE1-CE1 4.2Å; F260-Y285 AromaticContact CZ-CD1 3.95Å; F260-Y285 HydrophobicContact CZ-CD1 3.95Å; F260-Y285 AromaticContact CZ-CE1 3.8Å; F260-Y285 HydrophobicContact CZ-CE1 3.8Å; F260-L286 HydrophobicContact CE1-CD1 4.47Å; F260-L286 HydrophobicContact CE1-CD2 4.36Å; F260-L286 HydrophobicContact CE1-CG 4.34Å; F260-L286 HydrophobicContact CZ-CD2 3.8Å; F260-L286 HydrophobicContact CZ-CG 4.27Å |
| 261 | E | 90.7 | Very high | 88.4 | Confident | 94 Ų | 94 | 44 Ų | 44 | 44% | 0.439 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | -50.7 | 171.1 | 174.4 | 132.4 | 170.1 | 0 | 0 | 110.6 | H273 K275 | E261-H273 PolarHBondContact N-O 3.29Å; E261-K275 HydrophobicContact CB-CG 3.91Å |
| 262 | R | 87.9 | Confident | 88.9 | Confident | 87 Ų | 87 | 40.2 Ų | 40.2 | 33% | 0.328 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 151.5 | -178.6 | -61.4 | 169.8 | -151.4 | -139.8 | -1.1 | 109 | Y100 H273 | Y100-R262 VanDerWaalsContact CZ-NH1 3.31Å; Y100-R262 PolarHBondContact OH-NH1 2.91Å; R262-H273 HydrophobicContact CB-CB 4.18Å; R262-H273 PolarHBondContact N-O 3.34Å; R262-H273 WeakPolarHBondContact O-CB 3.42Å; R262-H273 PolarHBondContact O-N 3.48Å |
| 263 | W | 85.7 | Confident | 89.2 | Confident | 78 Ų | 78 | 39.2 Ų | 39.2 | 30% | 0.295 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 159.6 | 176.2 | 56.5 | 89.2 | 0 | 0 | 0 | 111.4 | Q107 I255 T257 F260 L271 | Q107-W263 PolarHBondContact NE2-O 3.49Å; I255-W263 HydrophobicContact CD1-CZ2 4.12Å; I255-W263 HydrophobicContact CG2-CD2 4.34Å; I255-W263 HydrophobicContact CG2-CE3 4.42Å; I255-W263 HydrophobicContact CG2-CH2 3.76Å; I255-W263 HydrophobicContact CG2-CZ2 3.65Å; I255-W263 HydrophobicContact CG2-CZ3 4.15Å; T257-W263 HydrophobicContact CG2-CH2 4.03Å; F260-W263 HydrophobicContact CB-CE3 3.63Å; F260-W263 HydrophobicContact CB-CZ3 3.96Å; F260-W263 HydrophobicContact CD2-CD2 4.45Å; F260-W263 HydrophobicContact CD2-CE3 4.17Å; F260-W263 HydrophobicContact CG-CE3 4.45Å; W263-L271 CarbonylContact C-O 3.44Å; W263-L271 WeakPolarHBondContact CA-O 3.1Å |
| 264 | A | 80.3 | Confident | 89.6 | Confident | 8 Ų | 8 | 39.7 Ų | 39.7 | 7% | 0.066 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 124.3 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109 | Q98 W270 L271 | Q98-A264 WeakPolarHBondContact O-CB 3.39Å; A264-W270 WeakPolarHBondContact O-CA 3.42Å; A264-L271 HydrophobicContact CB-CB 4.32Å; A264-L271 PolarHBondContact N-O 2.89Å; A264-L271 PolarHBondContact O-N 3.24Å |
| 265 | T | 80.1 | Confident | 90 | Very high | 67 Ų | 67 | 40.4 Ų | 40.4 | 41% | 0.411 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 123.6 | -176.6 | 53.3 | 0 | 0 | 0 | 0 | 110.9 | W270 V330 | T265-W270 HydrophobicContact CG2-CD2 3.61Å; T265-W270 HydrophobicContact CG2-CE3 4.03Å; T265-W270 HydrophobicContact CG2-CG 3.99Å; T265-W270 HydrophobicContact CG2-CH2 4.22Å; T265-W270 HydrophobicContact CG2-CZ2 3.85Å; T265-W270 HydrophobicContact CG2-CZ3 4.32Å; T265-V330 HydrophobicContact CG2-CG2 4.3Å |
| 266 | H | 85.6 | Confident | 90.2 | Very high | 39 Ų | 39 | 42.7 Ų | 42.7 | 18% | 0.181 | 22% | 0.22 | C | C | . | . | trans | -107.7 | 156.6 | 154.4 | -164 | -92.9 | 0 | 0 | 0 | 108.9 | V75 A268 Y269 W270 H340 | V75-H266 WeakPolarHBondContact CG1-NE2 3.32Å; H266-A268 PolarHBondContact ND1-N 3.49Å; H266-A268 PolarHBondContact O-N 2.94Å; H266-Y269 WeakPolarHBondContact CA-O 3.28Å; H266-Y269 HydrophobicContact CB-CD1 3.6Å; H266-Y269 HydrophobicContact CB-CE1 3.44Å; H266-Y269 VanDerWaalsContact CB-CE1 3.44Å; H266-Y269 HydrophobicContact CB-CG 4.29Å; H266-Y269 VanDerWaalsContact CB-O 3.26Å; H266-Y269 WeakPolarHBondContact CB-O 3.47Å; H266-Y269 AromaticContact CG-CD1 3.98Å; H266-Y269 AromaticContact CG-CE1 3.65Å; H266-Y269 PolarHBondContact N-O 3.42Å; H266-Y269 PolarHBondContact O-N 2.87Å; H266-W270 PolarHBondContact O-NE1 3.13Å; H266-H340 PolarHBondContact CE1-O 3.06Å | ||
| 267 | D | 85.7 | Confident | 90.4 | Very high | 52 Ų | 52 | 42 Ų | 42 | 28% | 0.278 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -62.3 | -8.9 | 177.2 | -65.6 | 0.9 | 0 | 0 | 0 | 113.7 | V327 L328 L336 Q339 | D267-V327 HydrophobicContact CB-CG1 3.96Å; D267-V327 CarbonylContact O-C 3.49Å; D267-V327 VanDerWaalsContact O-CA 3.24Å; D267-V327 WeakPolarHBondContact O-CA 2.84Å; D267-L328 PolarHBondContact O-N 2.99Å; D267-L336 WeakPolarHBondContact OD2-CD1 3.47Å; D267-Q339 HydrophobicContact CB-CG 3.79Å; D267-Q339 PolarHBondContact OD2-NE2 2.96Å |
| 268 | A | 90.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -123.7 | -17.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | H266 A322 H340 Y342 | H266-A268 PolarHBondContact ND1-N 3.49Å; H266-A268 PolarHBondContact O-N 2.94Å; A268-A322 PolarHBondContact O-N 3.23Å; A268-H340 WeakPolarHBondContact CB-O 3.33Å; A268-Y342 HydrophobicContact CB-CD1 3.72Å; A268-Y342 HydrophobicContact CB-CE1 3.69Å; A268-Y342 HydrophobicContact CB-CG 4.29Å |
| 269 | Y | 94.1 | Very high | 90.9 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 143 | 178.9 | 73.6 | -78.8 | 0 | 0 | 0 | 111.6 | Y72 P73 V75 V95 A96 H266 L271 L319 V320 | Y72-Y269 VanDerWaalsContact OH-CB 3.29Å; Y72-Y269 WeakPolarHBondContact OH-CB 3.48Å; P73-Y269 HydrophobicContact CB-CD1 3.74Å; P73-Y269 HydrophobicContact CB-CD2 4.48Å; P73-Y269 HydrophobicContact CB-CE1 3.39Å; P73-Y269 HydrophobicContact CB-CE2 4.15Å; P73-Y269 HydrophobicContact CB-CG 4.29Å; P73-Y269 HydrophobicContact CG-CD1 4.43Å; P73-Y269 HydrophobicContact CG-CE1 3.72Å; P73-Y269 HydrophobicContact CG-CE2 3.86Å; P73-Y269 VanDerWaalsContact CG-OH 3.26Å; P73-Y269 WeakPolarHBondContact CG-OH 3.18Å; V75-Y269 HydrophobicContact CG1-CE1 4.35Å; V75-Y269 HydrophobicContact CG2-CE1 4.45Å; V95-Y269 PolarHBondContact O-OH 3.05Å; A96-Y269 VanDerWaalsContact CA-OH 3.27Å; A96-Y269 WeakPolarHBondContact CA-OH 3.43Å; A96-Y269 HydrophobicContact CB-CE2 4.41Å; A96-Y269 WeakPolarHBondContact CB-OH 3.2Å; H266-Y269 WeakPolarHBondContact CA-O 3.28Å; H266-Y269 HydrophobicContact CB-CD1 3.6Å; H266-Y269 HydrophobicContact CB-CE1 3.44Å; H266-Y269 VanDerWaalsContact CB-CE1 3.44Å; H266-Y269 HydrophobicContact CB-CG 4.29Å; H266-Y269 VanDerWaalsContact CB-O 3.26Å; H266-Y269 WeakPolarHBondContact CB-O 3.47Å; H266-Y269 AromaticContact CG-CD1 3.98Å; H266-Y269 AromaticContact CG-CE1 3.65Å; H266-Y269 PolarHBondContact N-O 3.42Å; H266-Y269 PolarHBondContact O-N 2.87Å; Y269-L271 HydrophobicContact CD2-CD2 4.03Å; Y269-L271 HydrophobicContact CD2-CG 4.27Å; Y269-L271 HydrophobicContact CE2-CD1 4.34Å; Y269-L271 HydrophobicContact CE2-CD2 4.03Å; Y269-L271 HydrophobicContact CE2-CG 4.03Å; Y269-L319 HydrophobicContact CD2-CD1 4.12Å; Y269-V320 CarbonylContact C-O 3.16Å; Y269-V320 WeakPolarHBondContact CA-O 3.24Å; Y269-V320 WeakPolarHBondContact CB-O 3.18Å |
| 270 | W | 93.7 | Very high | 90.9 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 0% | 0.004 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 133.8 | 177.3 | -64.9 | 12.1 | 0 | 0 | 0 | 110.3 | I253 I255 A264 T265 H266 V272 V320 L328 V330 | I253-W270 HydrophobicContact CB-CH2 3.89Å; I253-W270 HydrophobicContact CB-CZ3 4.13Å; I253-W270 HydrophobicContact CG2-CH2 4.36Å; I253-W270 HydrophobicContact CG2-CZ3 4.11Å; I253-W270 VanDerWaalsContact O-CH2 3.26Å; I253-W270 WeakPolarHBondContact O-CH2 3.05Å; I255-W270 HydrophobicContact CG1-CH2 4.48Å; I255-W270 HydrophobicContact CG1-CZ3 4.32Å; A264-W270 WeakPolarHBondContact O-CA 3.42Å; T265-W270 HydrophobicContact CG2-CD2 3.61Å; T265-W270 HydrophobicContact CG2-CE3 4.03Å; T265-W270 HydrophobicContact CG2-CG 3.99Å; T265-W270 HydrophobicContact CG2-CH2 4.22Å; T265-W270 HydrophobicContact CG2-CZ2 3.85Å; T265-W270 HydrophobicContact CG2-CZ3 4.32Å; H266-W270 PolarHBondContact O-NE1 3.13Å; W270-V272 HydrophobicContact CB-CG2 4.11Å; W270-V320 HydrophobicContact CB-CB 4.11Å; W270-V320 HydrophobicContact CB-CG2 4.36Å; W270-V320 PolarHBondContact N-O 3.26Å; W270-V320 PolarHBondContact O-N 2.63Å; W270-L328 HydrophobicContact CG-CD1 4.31Å; W270-L328 HydrophobicContact CZ2-CB 4.41Å; W270-L328 VanDerWaalsContact NE1-CB 3.34Å; W270-V330 HydrophobicContact CH2-CG2 3.73Å; W270-V330 HydrophobicContact CZ2-CG2 3.85Å |
| 271 | L | 94.2 | Very high | 91.2 | Very high | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 114.3 | 170.4 | -55.6 | -179.4 | 0 | 0 | 0 | 107 | V95 A96 W263 A264 Y269 F309 P316 L319 | V95-L271 HydrophobicContact CG2-CD1 3.81Å; A96-L271 HydrophobicContact CB-CD1 4.12Å; W263-L271 CarbonylContact C-O 3.44Å; W263-L271 WeakPolarHBondContact CA-O 3.1Å; A264-L271 HydrophobicContact CB-CB 4.32Å; A264-L271 PolarHBondContact N-O 2.89Å; A264-L271 PolarHBondContact O-N 3.24Å; Y269-L271 HydrophobicContact CD2-CD2 4.03Å; Y269-L271 HydrophobicContact CD2-CG 4.27Å; Y269-L271 HydrophobicContact CE2-CD1 4.34Å; Y269-L271 HydrophobicContact CE2-CD2 4.03Å; Y269-L271 HydrophobicContact CE2-CG 4.03Å; L271-F309 HydrophobicContact CD2-CE1 3.86Å; L271-F309 HydrophobicContact CD2-CZ 3.92Å; L271-P316 HydrophobicContact CB-CG 3.74Å; L271-P316 HydrophobicContact CD2-CG 4.41Å; L271-L319 HydrophobicContact CD2-CD1 3.82Å |
| 272 | V | 94.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 118.5 | -174.8 | -176.6 | 0 | 0 | 0 | 0 | 111.2 | F260 W270 T282 L286 P316 I318 V320 | F260-V272 HydrophobicContact CB-CG1 4.42Å; F260-V272 HydrophobicContact CD1-CG1 3.93Å; F260-V272 HydrophobicContact CD2-CG1 4.26Å; F260-V272 HydrophobicContact CE1-CG1 4.31Å; F260-V272 HydrophobicContact CG-CG1 3.94Å; W270-V272 HydrophobicContact CB-CG2 4.11Å; V272-T282 HydrophobicContact CG1-CG2 4.11Å; V272-L286 HydrophobicContact CG1-CD1 4.46Å; V272-L286 HydrophobicContact CG2-CD1 4.48Å; V272-P316 WeakPolarHBondContact O-CB 3.21Å; V272-I318 HydrophobicContact CB-CB 4.3Å; V272-I318 PolarHBondContact N-O 3.21Å; V272-I318 PolarHBondContact O-N 2.64Å; V272-V320 HydrophobicContact CG2-CG2 4.32Å |
| 273 | H | 93 | Very high | 91.9 | Very high | 26 Ų | 26 | 42.4 Ų | 42.4 | 12% | 0.12 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 118.2 | 165.5 | -66.4 | -81.3 | 0 | 0 | 0 | 109.1 | Y100 E261 R262 P316 E317 | Y100-H273 AromaticContact CD1-CE1 3.86Å; Y100-H273 AromaticContact CD1-NE2 3.48Å; Y100-H273 WeakPolarHBondContact CD1-NE2 3.46Å; Y100-H273 AromaticContact CG-NE2 3.96Å; E261-H273 PolarHBondContact N-O 3.29Å; R262-H273 HydrophobicContact CB-CB 4.18Å; R262-H273 PolarHBondContact N-O 3.34Å; R262-H273 WeakPolarHBondContact O-CB 3.42Å; R262-H273 PolarHBondContact O-N 3.48Å; H273-P316 VanDerWaalsContact CE1-CB 3.45Å; H273-P316 WeakPolarHBondContact CE1-CB 3.18Å; H273-P316 WeakPolarHBondContact ND1-CB 2.94Å; H273-E317 IonicContact ND1-OE2 2.66Å; H273-E317 PolarHBondContact ND1-OE2 3.1Å |
| 274 | P | 94.5 | Very high | 92.4 | Very high | 11 Ų | 11 | 42.2 Ų | 42.2 | 7% | 0.071 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 158.3 | 171.4 | 32.4 | -34.8 | 0 | 0 | 0 | 110.5 | K279 T282 I318 | P274-K279 HydrophobicContact CB-CB 4.29Å; P274-K279 HydrophobicContact CG-CB 3.97Å; P274-K279 HydrophobicContact CG-CG 4.16Å; P274-T282 HydrophobicContact CB-CG2 4.18Å; P274-I318 HydrophobicContact CB-CD1 4.15Å; P274-I318 HydrophobicContact CG-CD1 4.08Å |
| 275 | K | 94.4 | Very high | 93.1 | Very high | 78 Ų | 78 | 43.4 Ų | 43.4 | 34% | 0.339 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -66.2 | 156.1 | 165.1 | -71.7 | -168.4 | -171.7 | 172 | 0 | 111.4 | T257 D258 L259 E261 G277 K278 | T257-K275 WeakPolarHBondContact O-CE 3.12Å; T257-K275 PolarHBondContact O-NZ 3.46Å; D258-K275 WeakPolarHBondContact O-CD 3.4Å; L259-K275 PolarHBondContact O-N 2.97Å; E261-K275 HydrophobicContact CB-CG 3.91Å; K275-G277 PolarHBondContact O-N 3.29Å; K275-K278 HydrophobicContact CB-CB 4.07Å; K275-K278 HydrophobicContact CB-CG 4.11Å; K275-K278 PolarHBondContact O-N 3.36Å |
| 276 | A | 92.9 | Very high | 93.8 | Very high | 95 Ų | 95 | 40.2 Ų | 40.2 | 79% | 0.785 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48.4 | 128.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | K278 | A276-K278 PolarHBondContact O-N 3.25Å; A276-K278 VanDerWaalsContact O-N 3.15Å |
| 277 | G | 94.4 | Very high | 94.2 | Very high | 82 Ų | 82 | 42.7 Ų | 42.7 | 85% | 0.845 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | -14.6 | -176 | 0 | 0 | 0 | 0 | 0 | 116.3 | K275 | K275-G277 PolarHBondContact O-N 3.29Š|
| 278 | K | 95.8 | Very high | 94.6 | Very high | 74 Ų | 74 | 44.7 Ų | 44.7 | 32% | 0.322 | 25% | 0.251 | S | S | . | . | trans | -97 | 11.1 | -172.8 | -64.7 | -61.1 | -171.6 | 176.5 | 0 | 115.3 | L259 K275 A276 Q280 E281 T282 | L259-K278 HydrophobicContact CD2-CD 4.48Å; K275-K278 HydrophobicContact CB-CB 4.07Å; K275-K278 HydrophobicContact CB-CG 4.11Å; K275-K278 PolarHBondContact O-N 3.36Å; A276-K278 PolarHBondContact O-N 3.25Å; A276-K278 VanDerWaalsContact O-N 3.15Å; K278-Q280 PolarHBondContact O-N 3.09Å; K278-E281 VanDerWaalsContact CD-CD 3.44Å; K278-E281 WeakPolarHBondContact CD-OE1 3.41Å; K278-E281 WeakPolarHBondContact CD-OE2 3.39Å; K278-E281 WeakPolarHBondContact CE-OE1 3.48Å; K278-E281 IonicContact NZ-OE1 2.69Å; K278-E281 PolarHBondContact NZ-OE1 2.96Å; K278-E281 IonicContact NZ-OE2 3.58Å; K278-E281 PolarHBondContact NZ-OE2 3.33Å; K278-E281 PolarHBondContact O-N 3.13Å; K278-T282 WeakPolarHBondContact O-CB 2.88Å; K278-T282 PolarHBondContact O-N 3Å; K278-T282 PolarHBondContact O-OG1 3.46Å | ||
| 279 | K | 94.9 | Very high | 94.6 | Very high | 77 Ų | 77 | 46.1 Ų | 46.1 | 34% | 0.335 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -56.1 | -49.3 | -176.6 | -178.2 | -177.3 | 170.2 | -157.1 | 0 | 113 | P274 T282 I283 I318 | P274-K279 HydrophobicContact CB-CB 4.29Å; P274-K279 HydrophobicContact CG-CB 3.97Å; P274-K279 HydrophobicContact CG-CG 4.16Å; K279-T282 WeakPolarHBondContact O-CB 3.34Å; K279-T282 PolarHBondContact O-N 2.95Å; K279-I283 HydrophobicContact CG-CD1 3.96Å; K279-I283 WeakPolarHBondContact O-CG1 3.25Å; K279-I283 PolarHBondContact O-N 2.78Å; K279-I318 HydrophobicContact CG-CD1 4.5Å |
| 280 | Q | 95.8 | Very high | 94.4 | Very high | 102 Ų | 102 | 48.7 Ų | 48.7 | 48% | 0.477 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.5 | -48.9 | -177.1 | -171.3 | 55.8 | 45.5 | 0 | 0 | 111.4 | K278 T282 I283 D284 | K278-Q280 PolarHBondContact O-N 3.09Å; Q280-T282 PolarHBondContact O-N 2.98Å; Q280-I283 WeakPolarHBondContact O-CA 3.24Å; Q280-I283 WeakPolarHBondContact O-CB 3.49Å; Q280-I283 PolarHBondContact O-N 3.07Å; Q280-D284 WeakPolarHBondContact CG-OD2 3.04Å; Q280-D284 VanDerWaalsContact NE2-CG 3.31Å; Q280-D284 PolarHBondContact NE2-OD1 2.88Å; Q280-D284 PolarHBondContact NE2-OD2 3.29Å; Q280-D284 VanDerWaalsContact NE2-OD2 3.13Å; Q280-D284 VanDerWaalsContact O-CG 3.29Å; Q280-D284 PolarHBondContact O-N 3.39Å |
| 281 | E | 96.5 | Very high | 93.7 | Very high | 90 Ų | 90 | 50.9 Ų | 50.9 | 42% | 0.421 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -55.3 | -37.2 | 174.5 | -64.5 | 173.5 | -127.5 | 0 | 0 | 112.7 | L259 K278 Y285 | L259-E281 HydrophobicContact CD2-CB 3.75Å; K278-E281 VanDerWaalsContact CD-CD 3.44Å; K278-E281 WeakPolarHBondContact CD-OE1 3.41Å; K278-E281 WeakPolarHBondContact CD-OE2 3.39Å; K278-E281 WeakPolarHBondContact CE-OE1 3.48Å; K278-E281 IonicContact NZ-OE1 2.69Å; K278-E281 PolarHBondContact NZ-OE1 2.96Å; K278-E281 IonicContact NZ-OE2 3.58Å; K278-E281 PolarHBondContact NZ-OE2 3.33Å; K278-E281 PolarHBondContact O-N 3.13Å; E281-Y285 VanDerWaalsContact O-CB 3.32Å; E281-Y285 WeakPolarHBondContact O-CB 3.06Å; E281-Y285 PolarHBondContact O-N 2.91Å |
| 282 | T | 96.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.5 | -44 | 175 | -58 | 0 | 0 | 0 | 0 | 111.8 | L259 F260 V272 P274 K278 K279 Q280 L286 I318 | L259-T282 PolarHBondContact O-OG1 3.43Å; F260-T282 HydrophobicContact CD1-CG2 3.71Å; F260-T282 HydrophobicContact CE1-CG2 3.75Å; V272-T282 HydrophobicContact CG1-CG2 4.11Å; P274-T282 HydrophobicContact CB-CG2 4.18Å; K278-T282 WeakPolarHBondContact O-CB 2.88Å; K278-T282 PolarHBondContact O-N 3Å; K278-T282 PolarHBondContact O-OG1 3.46Å; K279-T282 WeakPolarHBondContact O-CB 3.34Å; K279-T282 PolarHBondContact O-N 2.95Å; Q280-T282 PolarHBondContact O-N 2.98Å; T282-L286 HydrophobicContact CG2-CD1 4.01Å; T282-L286 WeakPolarHBondContact O-CB 3.21Å; T282-L286 VanDerWaalsContact O-CG 3.26Å; T282-L286 WeakPolarHBondContact O-CG 3.26Å; T282-L286 PolarHBondContact O-N 2.65Å; T282-I318 HydrophobicContact CG2-CD1 3.48Å; T282-I318 VanDerWaalsContact CG2-CD1 3.48Å |
| 283 | I | 96.2 | Very high | 92.3 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 176.8 | -69.6 | 162.4 | 0 | 0 | 0 | 110.2 | K279 Q280 L286 K287 Q299 I318 | K279-I283 HydrophobicContact CG-CD1 3.96Å; K279-I283 WeakPolarHBondContact O-CG1 3.25Å; K279-I283 PolarHBondContact O-N 2.78Å; Q280-I283 WeakPolarHBondContact O-CA 3.24Å; Q280-I283 WeakPolarHBondContact O-CB 3.49Å; Q280-I283 PolarHBondContact O-N 3.07Å; I283-L286 PolarHBondContact O-N 3.06Å; I283-K287 HydrophobicContact CG2-CD 3.84Å; I283-K287 VanDerWaalsContact CG2-CE 3.49Å; I283-K287 HydrophobicContact CG2-CG 4.31Å; I283-K287 WeakPolarHBondContact O-CB 3.42Å; I283-K287 VanDerWaalsContact O-CG 3.31Å; I283-K287 WeakPolarHBondContact O-CG 3.41Å; I283-K287 PolarHBondContact O-N 3.38Å; I283-Q299 HydrophobicContact CD1-CG 3.65Å; I283-Q299 HydrophobicContact CG1-CG 4.48Å; I283-I318 HydrophobicContact CD1-CD1 4.43Å; I283-I318 HydrophobicContact CD1-CG1 4.48Å; I283-I318 HydrophobicContact CG1-CD1 3.71Å; I283-I318 HydrophobicContact CG1-CG1 4.01Å |
| 284 | D | 96.1 | Very high | 92.2 | Very high | 74 Ų | 74 | 63 Ų | 63 | 40% | 0.396 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.5 | -42.3 | -177.4 | -62.6 | -28.9 | 0 | 0 | 0 | 111.2 | Q280 K287 T288 | Q280-D284 WeakPolarHBondContact CG-OD2 3.04Å; Q280-D284 VanDerWaalsContact NE2-CG 3.31Å; Q280-D284 PolarHBondContact NE2-OD1 2.88Å; Q280-D284 PolarHBondContact NE2-OD2 3.29Å; Q280-D284 VanDerWaalsContact NE2-OD2 3.13Å; Q280-D284 VanDerWaalsContact O-CG 3.29Å; Q280-D284 PolarHBondContact O-N 3.39Å; D284-K287 PolarHBondContact O-N 3.14Å; D284-T288 WeakPolarHBondContact O-CG2 3.21Å; D284-T288 PolarHBondContact O-N 3.1Å |
| 285 | Y | 96 | Very high | 92 | Very high | 33 Ų | 33 | 62.5 Ų | 62.5 | 13% | 0.129 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -56.4 | -52 | 170.7 | 173.1 | -106.9 | 0 | 0 | 0 | 112.1 | P254 R256 L259 F260 E281 K287 T288 F289 | P254-Y285 PolarHBondContact O-OH 2.61Å; R256-Y285 HydrophobicContact CB-CD1 4.43Å; R256-Y285 HydrophobicContact CB-CE1 4.11Å; R256-Y285 HydrophobicContact CG-CD1 4.05Å; R256-Y285 HydrophobicContact CG-CD2 4.19Å; R256-Y285 HydrophobicContact CG-CE1 3.53Å; R256-Y285 HydrophobicContact CG-CE2 3.68Å; R256-Y285 HydrophobicContact CG-CG 4.36Å; L259-Y285 HydrophobicContact CD1-CD1 4.1Å; L259-Y285 HydrophobicContact CD1-CD2 4.45Å; L259-Y285 HydrophobicContact CD1-CG 3.78Å; F260-Y285 AromaticContact CE1-CD1 3.92Å; F260-Y285 HydrophobicContact CE1-CD1 3.92Å; F260-Y285 HydrophobicContact CE1-CE1 4.2Å; F260-Y285 AromaticContact CZ-CD1 3.95Å; F260-Y285 HydrophobicContact CZ-CD1 3.95Å; F260-Y285 AromaticContact CZ-CE1 3.8Å; F260-Y285 HydrophobicContact CZ-CE1 3.8Å; E281-Y285 VanDerWaalsContact O-CB 3.32Å; E281-Y285 WeakPolarHBondContact O-CB 3.06Å; E281-Y285 PolarHBondContact O-N 2.91Å; Y285-K287 VanDerWaalsContact C-N 3.28Å; Y285-K287 PolarHBondContact O-N 2.95Å; Y285-T288 WeakPolarHBondContact O-CB 3.39Å; Y285-T288 PolarHBondContact O-N 3.28Å; Y285-T288 PolarHBondContact O-OG1 2.92Å; Y285-F289 HydrophobicContact CD1-CE2 4.5Å; Y285-F289 HydrophobicContact CD2-CE2 4.14Å; Y285-F289 AromaticContact CE1-CE2 3.97Å; Y285-F289 HydrophobicContact CE1-CE2 3.97Å; Y285-F289 AromaticContact CE2-CE2 3.57Å; Y285-F289 HydrophobicContact CE2-CE2 3.57Å; Y285-F289 HydrophobicContact CE2-CZ 4.04Å; Y285-F289 AromaticContact CZ-CE2 3.46Å; Y285-F289 VanDerWaalsContact CZ-CE2 3.46Å; Y285-F289 AromaticContact CZ-CZ 3.9Å; Y285-F289 WeakPolarHBondContact O-CD2 2.95Å |
| 286 | L | 94.7 | Very high | 92 | Very high | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.2 | -33.7 | -179.9 | -71.2 | 169.1 | 0 | 0 | 0 | 112 | I253 F260 V272 T282 I283 T288 F289 V297 I318 V320 | I253-L286 HydrophobicContact CG2-CD2 4.13Å; F260-L286 HydrophobicContact CE1-CD1 4.47Å; F260-L286 HydrophobicContact CE1-CD2 4.36Å; F260-L286 HydrophobicContact CE1-CG 4.34Å; F260-L286 HydrophobicContact CZ-CD2 3.8Å; F260-L286 HydrophobicContact CZ-CG 4.27Å; V272-L286 HydrophobicContact CG1-CD1 4.46Å; V272-L286 HydrophobicContact CG2-CD1 4.48Å; T282-L286 HydrophobicContact CG2-CD1 4.01Å; T282-L286 WeakPolarHBondContact O-CB 3.21Å; T282-L286 VanDerWaalsContact O-CG 3.26Å; T282-L286 WeakPolarHBondContact O-CG 3.26Å; T282-L286 PolarHBondContact O-N 2.65Å; I283-L286 PolarHBondContact O-N 3.06Å; L286-T288 VanDerWaalsContact C-N 3.26Å; L286-T288 PolarHBondContact O-N 2.89Å; L286-F289 PolarHBondContact O-N 2.87Å; L286-F289 VanDerWaalsContact O-N 3.08Å; L286-V297 HydrophobicContact CB-CG1 4.12Å; L286-V297 HydrophobicContact CB-CG2 3.75Å; L286-I318 HydrophobicContact CD1-CG2 3.8Å; L286-V320 HydrophobicContact CD1-CG2 3.86Å; L286-V320 HydrophobicContact CD2-CG2 4.01Å; L286-V320 HydrophobicContact CG-CG2 4.41Å |
| 287 | K | 94.5 | Very high | 92.1 | Very high | 90 Ų | 90 | 57 Ų | 57 | 39% | 0.391 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.3 | -29.8 | 176.1 | -82.1 | 176.7 | 178.3 | 176 | 0 | 112.9 | I283 D284 Y285 F289 T290 V297 | I283-K287 HydrophobicContact CG2-CD 3.84Å; I283-K287 VanDerWaalsContact CG2-CE 3.49Å; I283-K287 HydrophobicContact CG2-CG 4.31Å; I283-K287 WeakPolarHBondContact O-CB 3.42Å; I283-K287 VanDerWaalsContact O-CG 3.31Å; I283-K287 WeakPolarHBondContact O-CG 3.41Å; I283-K287 PolarHBondContact O-N 3.38Å; D284-K287 PolarHBondContact O-N 3.14Å; Y285-K287 VanDerWaalsContact C-N 3.28Å; Y285-K287 PolarHBondContact O-N 2.95Å; K287-F289 PolarHBondContact O-N 3.35Å; K287-F289 VanDerWaalsContact O-N 3.16Å; K287-T290 WeakPolarHBondContact O-CB 3.24Å; K287-T290 WeakPolarHBondContact O-CG2 3.21Å; K287-T290 PolarHBondContact O-N 3.02Å; K287-T290 VanDerWaalsContact O-N 3.08Å; K287-T290 PolarHBondContact O-OG1 2.6Å; K287-V297 HydrophobicContact CG-CB 4.37Å; K287-V297 HydrophobicContact CG-CG2 4.5Å |
| 288 | T | 93.9 | Very high | 92.1 | Very high | 94 Ų | 94 | 55 Ų | 55 | 58% | 0.577 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -21.1 | 173.9 | 71.9 | 0 | 0 | 0 | 0 | 113.7 | D284 Y285 L286 | D284-T288 WeakPolarHBondContact O-CG2 3.21Å; D284-T288 PolarHBondContact O-N 3.1Å; Y285-T288 WeakPolarHBondContact O-CB 3.39Å; Y285-T288 PolarHBondContact O-N 3.28Å; Y285-T288 PolarHBondContact O-OG1 2.92Å; L286-T288 VanDerWaalsContact C-N 3.26Å; L286-T288 PolarHBondContact O-N 2.89Å |
| 289 | F | 90.6 | Very high | 92.1 | Very high | 30 Ų | 30 | 52.9 Ų | 52.9 | 13% | 0.132 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -9.1 | 177.5 | -63.3 | -88.9 | 0 | 0 | 0 | 113.8 | R251 T252 I253 Y285 L286 K287 T291 | R251-F289 PolarHBondContact NE-O 3.4Å; R251-F289 PolarHBondContact NH2-O 3.15Å; T252-F289 WeakPolarHBondContact O-CD1 3.28Å; I253-F289 HydrophobicContact CB-CD1 4.27Å; I253-F289 HydrophobicContact CB-CG 4.35Å; I253-F289 HydrophobicContact CD1-CB 3.87Å; I253-F289 HydrophobicContact CD1-CG 4.27Å; I253-F289 HydrophobicContact CG1-CB 3.9Å; I253-F289 HydrophobicContact CG1-CD1 3.85Å; I253-F289 HydrophobicContact CG1-CG 3.84Å; I253-F289 HydrophobicContact CG2-CD1 4.29Å; I253-F289 HydrophobicContact CG2-CD2 3.93Å; I253-F289 HydrophobicContact CG2-CE1 4.49Å; I253-F289 HydrophobicContact CG2-CE2 4.17Å; I253-F289 HydrophobicContact CG2-CG 4.01Å; I253-F289 HydrophobicContact CG2-CZ 4.45Å; Y285-F289 HydrophobicContact CD1-CE2 4.5Å; Y285-F289 HydrophobicContact CD2-CE2 4.14Å; Y285-F289 AromaticContact CE1-CE2 3.97Å; Y285-F289 HydrophobicContact CE1-CE2 3.97Å; Y285-F289 AromaticContact CE2-CE2 3.57Å; Y285-F289 HydrophobicContact CE2-CE2 3.57Å; Y285-F289 HydrophobicContact CE2-CZ 4.04Å; Y285-F289 AromaticContact CZ-CE2 3.46Å; Y285-F289 VanDerWaalsContact CZ-CE2 3.46Å; Y285-F289 AromaticContact CZ-CZ 3.9Å; Y285-F289 WeakPolarHBondContact O-CD2 2.95Å; L286-F289 PolarHBondContact O-N 2.87Å; L286-F289 VanDerWaalsContact O-N 3.08Å; K287-F289 PolarHBondContact O-N 3.35Å; K287-F289 VanDerWaalsContact O-N 3.16Å; F289-T291 PolarHBondContact O-OG1 2.93Å |
| 290 | T | 89.7 | Confident | 92 | Very high | 58 Ų | 58 | 51.7 Ų | 51.7 | 36% | 0.356 | 27% | 0.27 | S | S | . | . | trans | -60.6 | 153.7 | 175.1 | 65.5 | 0 | 0 | 0 | 0 | 110.9 | K287 V295 V297 | K287-T290 WeakPolarHBondContact O-CB 3.24Å; K287-T290 WeakPolarHBondContact O-CG2 3.21Å; K287-T290 PolarHBondContact O-N 3.02Å; K287-T290 VanDerWaalsContact O-N 3.08Å; K287-T290 PolarHBondContact O-OG1 2.6Å; T290-V295 WeakPolarHBondContact CA-O 3.23Å; T290-V295 VanDerWaalsContact CB-O 3.27Å; T290-V295 WeakPolarHBondContact CB-O 3.24Å; T290-V295 WeakPolarHBondContact CG2-O 3.43Å; T290-V297 HydrophobicContact CG2-CG2 3.9Å | ||
| 291 | T | 79.1 | Confident | 91.9 | Very high | 46 Ų | 46 | 52.6 Ų | 52.6 | 28% | 0.282 | 27% | 0.274 | S | S | . | . | trans | -156.1 | 100 | -175.1 | -56.7 | 0 | 0 | 0 | 0 | 109.4 | R251 F289 G293 K294 | R251-T291 PolarHBondContact NH2-OG1 3.4Å; F289-T291 PolarHBondContact O-OG1 2.93Å; T291-G293 VanDerWaalsContact C-N 3.26Å; T291-G293 PolarHBondContact O-N 2.9Å; T291-K294 WeakPolarHBondContact O-CA 3.37Å; T291-K294 WeakPolarHBondContact O-CB 3.32Å; T291-K294 WeakPolarHBondContact O-CG 3.27Å; T291-K294 PolarHBondContact O-N 3.21Å | ||
| 292 | N | 80.5 | Confident | 91.8 | Very high | 159 Ų | 159 | 52 Ų | 52 | 85% | 0.85 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.7 | 45.8 | 174.7 | -61.9 | -9.7 | 0 | 0 | 0 | 114.6 | K294 | N292-K294 PolarHBondContact O-N 2.86Š|
| 293 | G | 78.9 | Confident | 91.7 | Very high | 40 Ų | 40 | 52.1 Ų | 52.1 | 41% | 0.412 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 3.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116 | T291 N296 E323 | T291-G293 VanDerWaalsContact C-N 3.26Å; T291-G293 PolarHBondContact O-N 2.9Å; G293-N296 WeakPolarHBondContact CA-OD1 3.32Å; G293-N296 PolarHBondContact O-ND2 3.45Å; G293-N296 PolarHBondContact O-OD1 3.29Å; G293-E323 VanDerWaalsContact O-CG 3.25Å; G293-E323 WeakPolarHBondContact O-CG 3.48Å |
| 294 | K | 89.4 | Confident | 91.4 | Very high | 89 Ų | 89 | 53.4 Ų | 53.4 | 39% | 0.387 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -81.7 | -25.2 | 178.6 | -56.6 | -58 | -178.3 | -174.3 | 0 | 114.1 | T291 N292 A322 E323 Y326 | T291-K294 WeakPolarHBondContact O-CA 3.37Å; T291-K294 WeakPolarHBondContact O-CB 3.32Å; T291-K294 WeakPolarHBondContact O-CG 3.27Å; T291-K294 PolarHBondContact O-N 3.21Å; N292-K294 PolarHBondContact O-N 2.86Å; K294-A322 CarbonylContact O-C 3.47Å; K294-A322 WeakPolarHBondContact O-CA 3.4Å; K294-E323 HydrophobicContact CD-CB 4.23Å; K294-E323 PolarHBondContact O-N 2.97Å; K294-Y326 HydrophobicContact CB-CD1 4.05Å; K294-Y326 HydrophobicContact CB-CD2 3.88Å; K294-Y326 HydrophobicContact CB-CE1 3.93Å; K294-Y326 HydrophobicContact CB-CE2 3.81Å; K294-Y326 HydrophobicContact CB-CG 4.03Å; K294-Y326 HydrophobicContact CD-CD2 4.25Å; K294-Y326 HydrophobicContact CD-CE2 3.86Å; K294-Y326 HydrophobicContact CG-CD2 4.22Å; K294-Y326 HydrophobicContact CG-CE1 4.35Å; K294-Y326 HydrophobicContact CG-CE2 3.7Å |
| 295 | V | 91.4 | Very high | 91 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 126.3 | 167.3 | 175.9 | 0 | 0 | 0 | 0 | 106.5 | R251 I253 T290 V320 T321 L328 | R251-V295 HydrophobicContact CB-CG2 4.25Å; R251-V295 HydrophobicContact CG-CG2 4.18Å; I253-V295 HydrophobicContact CD1-CG1 4.49Å; T290-V295 WeakPolarHBondContact CA-O 3.23Å; T290-V295 VanDerWaalsContact CB-O 3.27Å; T290-V295 WeakPolarHBondContact CB-O 3.24Å; T290-V295 WeakPolarHBondContact CG2-O 3.43Å; V295-V320 HydrophobicContact CG1-CG1 3.98Å; V295-T321 CarbonylContact C-O 3.35Å; V295-T321 VanDerWaalsContact CA-O 3.27Å; V295-T321 WeakPolarHBondContact CA-O 3.44Å; V295-L328 HydrophobicContact CB-CD2 4.44Å; V295-L328 HydrophobicContact CG1-CD2 3.85Å; V295-L328 HydrophobicContact CG2-CD2 3.7Å |
| 296 | N | 93.7 | Very high | 90.5 | Very high | 40 Ų | 40 | 58.5 Ų | 58.5 | 21% | 0.214 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 149 | -173.1 | -58.7 | -64 | 0 | 0 | 0 | 109.9 | G293 F298 V320 T321 | G293-N296 WeakPolarHBondContact CA-OD1 3.32Å; G293-N296 PolarHBondContact O-ND2 3.45Å; G293-N296 PolarHBondContact O-OD1 3.29Å; N296-F298 HydrophobicContact CB-CD2 4.33Å; N296-F298 HydrophobicContact CB-CE2 3.66Å; N296-F298 HydrophobicContact CB-CZ 4.13Å; N296-V320 CarbonylContact O-C 3.55Å; N296-V320 WeakPolarHBondContact O-CA 3.42Å; N296-T321 PolarHBondContact N-O 3.49Å; N296-T321 PolarHBondContact O-N 2.78Å |
| 297 | V | 95.5 | Very high | 90.3 | Very high | 17 Ų | 17 | 59.1 Ų | 59.1 | 10% | 0.103 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 114.2 | 176.9 | -177.7 | 0 | 0 | 0 | 0 | 107.2 | L286 K287 T290 I318 V320 | L286-V297 HydrophobicContact CB-CG1 4.12Å; L286-V297 HydrophobicContact CB-CG2 3.75Å; K287-V297 HydrophobicContact CG-CB 4.37Å; K287-V297 HydrophobicContact CG-CG2 4.5Å; T290-V297 HydrophobicContact CG2-CG2 3.9Å; V297-I318 HydrophobicContact CG1-CG2 3.87Å; V297-V320 HydrophobicContact CG2-CG1 4.46Å |
| 298 | F | 95 | Very high | 90.1 | Very high | 41 Ų | 41 | 57.7 Ų | 57.7 | 18% | 0.18 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 132.2 | 177.1 | -62.5 | -86.7 | 0 | 0 | 0 | 109.8 | N296 E302 I303 P304 W307 I318 L319 T321 | N296-F298 HydrophobicContact CB-CD2 4.33Å; N296-F298 HydrophobicContact CB-CE2 3.66Å; N296-F298 HydrophobicContact CB-CZ 4.13Å; F298-E302 HydrophobicContact CB-CB 4.44Å; F298-E302 HydrophobicContact CD1-CB 4.19Å; F298-I303 HydrophobicContact CB-CG1 3.97Å; F298-P304 HydrophobicContact CE1-CG 4.23Å; F298-P304 HydrophobicContact CZ-CG 4.48Å; F298-W307 HydrophobicContact CE2-CH2 4.13Å; F298-W307 HydrophobicContact CE2-CZ3 4.28Å; F298-W307 HydrophobicContact CZ-CH2 4.42Å; F298-I318 WeakPolarHBondContact O-CA 3.44Å; F298-L319 HydrophobicContact CB-CB 4.41Å; F298-L319 PolarHBondContact N-O 2.68Å; F298-L319 PolarHBondContact O-N 2.65Å; F298-T321 HydrophobicContact CD2-CG2 4.14Å; F298-T321 HydrophobicContact CE2-CG2 4.14Å |
| 299 | Q | 95.6 | Very high | 90.1 | Very high | 28 Ų | 28 | 53.2 Ų | 53.2 | 13% | 0.131 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 152.7 | 155.7 | -58.9 | -173 | 73.3 | 0 | 0 | 109.8 | I283 H301 E302 I303 E317 | I283-Q299 HydrophobicContact CD1-CG 3.65Å; I283-Q299 HydrophobicContact CG1-CG 4.48Å; Q299-H301 PolarHBondContact O-N 2.94Å; Q299-E302 HydrophobicContact CB-CB 4.5Å; Q299-E302 HydrophobicContact CB-CG 4Å; Q299-E302 PolarHBondContact N-OE2 3.4Å; Q299-E302 PolarHBondContact NE2-OE1 3.36Å; Q299-E302 WeakPolarHBondContact O-CA 3.34Å; Q299-E302 WeakPolarHBondContact O-CB 3.47Å; Q299-E302 PolarHBondContact O-N 3.04Å; Q299-I303 PolarHBondContact O-N 2.84Å; Q299-E317 CarbonylContact C-O 3.52Å; Q299-E317 WeakPolarHBondContact CA-O 3.36Å |
| 300 | K | 93.1 | Very high | 90.2 | Very high | 52 Ų | 52 | 54.9 Ų | 54.9 | 23% | 0.226 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -35.8 | -178.2 | -170.3 | 169.2 | -175.6 | 168.8 | 0 | 114 | K310 N312 I315 E317 | K300-K310 WeakPolarHBondContact CE-O 3.24Å; K300-K310 HydrophobicContact CG-CG 4.3Å; K300-K310 WeakPolarHBondContact O-CD 3.32Å; K300-K310 VanDerWaalsContact O-CG 3.29Å; K300-K310 WeakPolarHBondContact O-CG 3.41Å; K300-N312 PolarHBondContact NZ-O 3.37Å; K300-I315 VanDerWaalsContact CE-O 3.31Å; K300-I315 WeakPolarHBondContact CE-O 3.35Å; K300-I315 PolarHBondContact NZ-O 2.88Å; K300-E317 PolarHBondContact N-O 2.73Å |
| 301 | H | 92.7 | Very high | 90.3 | Very high | 122 Ų | 122 | 58.5 Ų | 58.5 | 57% | 0.565 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -28.5 | 177.4 | 65.7 | -92.4 | 0 | 0 | 0 | 114.2 | Q299 I303 K310 | Q299-H301 PolarHBondContact O-N 2.94Å; H301-I303 VanDerWaalsContact C-N 3.33Å; H301-K310 PolarHBondContact O-NZ 3.2Å |
| 302 | E | 94.9 | Very high | 91 | Very high | 77 Ų | 77 | 57.3 Ų | 57.3 | 36% | 0.36 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -14.7 | 178.4 | -58.6 | 166.4 | 174.4 | 0 | 0 | 112.5 | F298 Q299 | F298-E302 HydrophobicContact CB-CB 4.44Å; F298-E302 HydrophobicContact CD1-CB 4.19Å; Q299-E302 HydrophobicContact CB-CB 4.5Å; Q299-E302 HydrophobicContact CB-CG 4Å; Q299-E302 PolarHBondContact N-OE2 3.4Å; Q299-E302 PolarHBondContact NE2-OE1 3.36Å; Q299-E302 WeakPolarHBondContact O-CA 3.34Å; Q299-E302 WeakPolarHBondContact O-CB 3.47Å; Q299-E302 PolarHBondContact O-N 3.04Å |
| 303 | I | 94 | Very high | 91.6 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -57.9 | 127.1 | 178.8 | -58.8 | 175.6 | 0 | 0 | 0 | 109.6 | F298 Q299 H301 A305 W307 F309 I315 L319 | F298-I303 HydrophobicContact CB-CG1 3.97Å; Q299-I303 PolarHBondContact O-N 2.84Å; H301-I303 VanDerWaalsContact C-N 3.33Å; I303-A305 PolarHBondContact O-N 3.45Å; I303-W307 HydrophobicContact CG2-CE3 4Å; I303-F309 WeakPolarHBondContact CD1-O 3.37Å; I303-I315 HydrophobicContact CD1-CG2 4.13Å; I303-L319 HydrophobicContact CD1-CB 4.09Å; I303-L319 HydrophobicContact CD1-CD2 3.91Å; I303-L319 HydrophobicContact CG1-CB 4.44Å; I303-L319 HydrophobicContact CG1-CD2 4.06Å; I303-L319 HydrophobicContact CG2-CD2 4.35Å |
| 304 | P | 90.9 | Very high | 92.3 | Very high | 28 Ų | 28 | 54.1 Ų | 54.1 | 18% | 0.182 | 27% | 0.267 | C | S | . | . | trans | -56.4 | 126.4 | -176.9 | -25.3 | 32.9 | 0 | 0 | 0 | 112.6 | F298 Y306 W307 | F298-P304 HydrophobicContact CE1-CG 4.23Å; F298-P304 HydrophobicContact CZ-CG 4.48Å; P304-Y306 HydrophobicContact CB-CD1 3.79Å; P304-Y306 HydrophobicContact CB-CE1 3.4Å; P304-Y306 VanDerWaalsContact CB-CE1 3.4Å; P304-Y306 HydrophobicContact CG-CE1 4.34Å; P304-Y306 PolarHBondContact O-N 3.14Å; P304-Y306 VanDerWaalsContact O-N 3.16Å; P304-W307 HydrophobicContact CB-CD2 4.39Å; P304-W307 HydrophobicContact CB-CG 4.41Å; P304-W307 HydrophobicContact CG-CD2 4.25Å; P304-W307 HydrophobicContact CG-CE3 4.36Å; P304-W307 HydrophobicContact CG-CZ2 4.43Å; P304-W307 HydrophobicContact CG-CZ3 4.49Å; P304-W307 WeakPolarHBondContact O-CB 3.35Å; P304-W307 PolarHBondContact O-N 2.81Å | ||
| 305 | A | 88.1 | Confident | 92.6 | Very high | 73 Ų | 73 | 49.9 Ų | 49.9 | 60% | 0.603 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -57.7 | -35.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113 | I303 W307 H308 | I303-A305 PolarHBondContact O-N 3.45Å; A305-W307 PolarHBondContact O-N 3.4Å; A305-W307 VanDerWaalsContact O-N 3.14Å; A305-H308 PolarHBondContact O-N 2.03Å; A305-H308 VanDerWaalsContact O-N 3.12Å |
| 306 | Y | 85 | Confident | 92.7 | Very high | 142 Ų | 142 | 50 Ų | 50 | 56% | 0.557 | 25% | 0.25 | S | S | * | . | G | 310 helix | trans | -69.4 | -5.1 | 179.5 | 72.3 | -95 | 0 | 0 | 0 | 114.7 | P304 | P304-Y306 HydrophobicContact CB-CD1 3.79Å; P304-Y306 HydrophobicContact CB-CE1 3.4Å; P304-Y306 VanDerWaalsContact CB-CE1 3.4Å; P304-Y306 HydrophobicContact CG-CE1 4.34Å; P304-Y306 PolarHBondContact O-N 3.14Å; P304-Y306 VanDerWaalsContact O-N 3.16Å |
| 307 | W | 89.6 | Confident | 92.6 | Very high | 13 Ų | 13 | 51.9 Ų | 51.9 | 5% | 0.049 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -84.1 | -17.8 | 170.6 | -74.5 | -1.4 | 0 | 0 | 0 | 113.5 | Y72 F298 I303 P304 A305 F309 L319 T321 N344 | Y72-W307 HydrophobicContact CD1-CB 4.26Å; Y72-W307 HydrophobicContact CD1-CD2 4.05Å; Y72-W307 AromaticContact CD1-CE3 3.69Å; Y72-W307 HydrophobicContact CD1-CE3 3.69Å; Y72-W307 HydrophobicContact CD1-CG 4.33Å; Y72-W307 HydrophobicContact CD1-CZ3 4.39Å; Y72-W307 HydrophobicContact CD2-CD2 4.2Å; Y72-W307 HydrophobicContact CD2-CE3 4.25Å; Y72-W307 HydrophobicContact CE1-CD2 4.48Å; Y72-W307 AromaticContact CE1-CE3 3.72Å; Y72-W307 HydrophobicContact CE1-CE3 3.72Å; Y72-W307 HydrophobicContact CE1-CZ3 4Å; Y72-W307 HydrophobicContact CE2-CE3 4.28Å; Y72-W307 HydrophobicContact CE2-CH2 4.4Å; Y72-W307 HydrophobicContact CE2-CZ3 4.17Å; Y72-W307 HydrophobicContact CG-CB 4.27Å; Y72-W307 AromaticContact CG-CD2 3.9Å; Y72-W307 HydrophobicContact CG-CD2 3.9Å; Y72-W307 AromaticContact CG-CE3 3.96Å; Y72-W307 HydrophobicContact CG-CE3 3.96Å; Y72-W307 HydrophobicContact CG-CG 4.05Å; Y72-W307 AromaticContact CZ-CZ3 3.88Å; F298-W307 HydrophobicContact CE2-CH2 4.13Å; F298-W307 HydrophobicContact CE2-CZ3 4.28Å; F298-W307 HydrophobicContact CZ-CH2 4.42Å; I303-W307 HydrophobicContact CG2-CE3 4Å; P304-W307 HydrophobicContact CB-CD2 4.39Å; P304-W307 HydrophobicContact CB-CG 4.41Å; P304-W307 HydrophobicContact CG-CD2 4.25Å; P304-W307 HydrophobicContact CG-CE3 4.36Å; P304-W307 HydrophobicContact CG-CZ2 4.43Å; P304-W307 HydrophobicContact CG-CZ3 4.49Å; P304-W307 WeakPolarHBondContact O-CB 3.35Å; P304-W307 PolarHBondContact O-N 2.81Å; A305-W307 PolarHBondContact O-N 3.4Å; A305-W307 VanDerWaalsContact O-N 3.14Å; W307-F309 HydrophobicContact CB-CB 4.24Å; W307-F309 PolarHBondContact O-N 2.93Å; W307-L319 HydrophobicContact CZ3-CD2 4.13Å; W307-T321 HydrophobicContact CH2-CG2 4.15Å; W307-T321 HydrophobicContact CZ3-CG2 4Å; W307-N344 VanDerWaalsContact CD1-OD1 3.23Å |
| 308 | H | 90.6 | Very high | 92.6 | Very high | 60 Ų | 60 | 51 Ų | 51 | 28% | 0.278 | 25% | 0.252 | S | S | . | . | trans | 49.1 | 48.7 | -175.2 | -68.6 | -84.9 | 0 | 0 | 0 | 112.8 | Y88 E90 A305 | Y88-H308 HydrophobicContact CD1-CB 3.16Å; Y88-H308 AromaticContact CD1-CD2 3.77Å; Y88-H308 AromaticContact CD1-CG 3.41Å; Y88-H308 VanDerWaalsContact CD1-CG 3.41Å; Y88-H308 HydrophobicContact CD2-CB 4.23Å; Y88-H308 AromaticContact CD2-CG 3.99Å; Y88-H308 AromaticContact CD2-ND1 3.89Å; Y88-H308 HydrophobicContact CE1-CB 3.62Å; Y88-H308 AromaticContact CE1-CD2 3.18Å; Y88-H308 WeakPolarHBondContact CE1-CD2 3.38Å; Y88-H308 AromaticContact CE1-CG 3.33Å; Y88-H308 AromaticContact CE1-NE2 3.86Å; Y88-H308 AromaticContact CE2-CE1 3.9Å; Y88-H308 AromaticContact CE2-CG 3.97Å; Y88-H308 AromaticContact CE2-ND1 3.84Å; Y88-H308 HydrophobicContact CG-CB 3.49Å; Y88-H308 VanDerWaalsContact CG-CB 3.49Å; Y88-H308 AromaticContact CG-CG 3.72Å; Y88-H308 AromaticContact CZ-CD2 3.42Å; Y88-H308 VanDerWaalsContact CZ-CD2 3.42Å; Y88-H308 AromaticContact CZ-CE1 3.84Å; Y88-H308 AromaticContact CZ-CG 3.65Å; Y88-H308 AromaticContact CZ-ND1 3.92Å; Y88-H308 AromaticContact CZ-NE2 3.56Å; E90-H308 WeakPolarHBondContact CB-O 3.45Å; E90-H308 VanDerWaalsContact CD-O 3.22Å; E90-H308 HydrophobicContact CG-CB 4.44Å; E90-H308 WeakPolarHBondContact CG-O 3.46Å; E90-H308 PolarHBondContact N-O 3.21Å; E90-H308 VanDerWaalsContact OE1-CA 3.23Å; E90-H308 WeakPolarHBondContact OE1-CA 3.06Å; E90-H308 WeakPolarHBondContact OE1-CB 3.22Å; E90-H308 IonicContact OE1-CG 3.74Å; E90-H308 IonicContact OE1-ND1 3.31Å; E90-H308 PolarHBondContact OE1-ND1 2.96Å; E90-H308 VanDerWaalsContact OE2-C 3.24Å; A305-H308 PolarHBondContact O-N 2.03Å; A305-H308 VanDerWaalsContact O-N 3.12Å | ||
| 309 | F | 94.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | trans | -137.9 | 51.4 | -174.5 | -163.6 | -99.5 | 0 | 0 | 0 | 110.7 | Y72 P73 V89 E90 V95 L271 I303 W307 I315 L319 | Y72-F309 HydrophobicContact CD1-CB 3.75Å; Y72-F309 AromaticContact CD1-CD1 3.85Å; Y72-F309 HydrophobicContact CD1-CD1 3.85Å; Y72-F309 HydrophobicContact CD1-CD2 4.13Å; Y72-F309 AromaticContact CD1-CG 3.63Å; Y72-F309 HydrophobicContact CD1-CG 3.63Å; Y72-F309 HydrophobicContact CE1-CB 4.39Å; Y72-F309 AromaticContact CE1-CD1 3.63Å; Y72-F309 HydrophobicContact CE1-CD1 3.63Å; Y72-F309 AromaticContact CE1-CE1 4Å; Y72-F309 HydrophobicContact CE1-CE1 4Å; Y72-F309 AromaticContact CE1-CG 3.93Å; Y72-F309 HydrophobicContact CE1-CG 3.93Å; Y72-F309 WeakPolarHBondContact O-CD2 3.41Å; P73-F309 HydrophobicContact CG-CE2 4.23Å; P73-F309 HydrophobicContact CG-CZ 4.49Å; V89-F309 HydrophobicContact CB-CD2 4.24Å; V89-F309 HydrophobicContact CG1-CD2 3.72Å; V89-F309 HydrophobicContact CG1-CE2 3.66Å; E90-F309 PolarHBondContact OE2-N 3.34Å; V95-F309 HydrophobicContact CB-CE2 3.71Å; V95-F309 HydrophobicContact CB-CZ 3.9Å; V95-F309 HydrophobicContact CG1-CE2 4.03Å; V95-F309 HydrophobicContact CG1-CZ 4.46Å; L271-F309 HydrophobicContact CD2-CE1 3.86Å; L271-F309 HydrophobicContact CD2-CZ 3.92Å; I303-F309 WeakPolarHBondContact CD1-O 3.37Å; W307-F309 HydrophobicContact CB-CB 4.24Å; W307-F309 PolarHBondContact O-N 2.93Å; F309-I315 HydrophobicContact CB-CD1 4.35Å; F309-I315 HydrophobicContact CD1-CD1 3.93Å; F309-I315 HydrophobicContact CD1-CG1 4.44Å; F309-I315 HydrophobicContact CD1-CG2 4.07Å; F309-I315 HydrophobicContact CD2-CD1 3.75Å; F309-I315 HydrophobicContact CE1-CD1 4.11Å; F309-I315 HydrophobicContact CE1-CG1 4.14Å; F309-I315 HydrophobicContact CE1-CG2 3.85Å; F309-I315 HydrophobicContact CE2-CD1 3.93Å; F309-I315 HydrophobicContact CE2-CG1 4.2Å; F309-I315 HydrophobicContact CG-CD1 3.75Å; F309-I315 HydrophobicContact CZ-CD1 4.11Å; F309-I315 HydrophobicContact CZ-CG1 4.02Å; F309-L319 HydrophobicContact CD1-CD2 4.21Å; F309-L319 HydrophobicContact CE1-CD1 4.24Å; F309-L319 HydrophobicContact CE1-CD2 4.38Å | ||
| 310 | K | 92.7 | Very high | 92.6 | Very high | 65 Ų | 65 | 47.8 Ų | 47.8 | 28% | 0.283 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -136.3 | -33.5 | -177.6 | 179.3 | 160 | 65.6 | -169.9 | 0 | 113.8 | E90 K300 H301 | E90-K310 PolarHBondContact OE2-N 2.86Å; K300-K310 WeakPolarHBondContact CE-O 3.24Å; K300-K310 HydrophobicContact CG-CG 4.3Å; K300-K310 WeakPolarHBondContact O-CD 3.32Å; K300-K310 VanDerWaalsContact O-CG 3.29Å; K300-K310 WeakPolarHBondContact O-CG 3.41Å; H301-K310 PolarHBondContact O-NZ 3.2Å |
| 311 | L | 92 | Very high | 92.7 | Very high | 134 Ų | 134 | 45.5 Ų | 45.5 | 70% | 0.702 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -86.1 | -12.7 | -163.9 | -59.9 | 178.8 | 0 | 0 | 0 | 114.9 | E90 | E90-L311 HydrophobicContact CB-CB 4.43Å; E90-L311 HydrophobicContact CG-CB 4.31Å; E90-L311 WeakPolarHBondContact OE2-CB 3.37Å; E90-L311 WeakPolarHBondContact OE2-CG 3.5Å; E90-L311 PolarHBondContact OE2-N 2.64Å |
| 312 | N | 93.7 | Very high | 92.7 | Very high | 21 Ų | 21 | 39.7 Ų | 39.7 | 11% | 0.112 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -86.3 | 144.4 | -179.6 | -158.8 | -81.1 | 0 | 0 | 0 | 112.5 | E90 G93 K300 R314 I315 | E90-N312 HydrophobicContact CB-CB 4.18Å; E90-N312 WeakPolarHBondContact O-CB 3.47Å; E90-N312 PolarHBondContact O-ND2 2.9Å; G93-N312 WeakPolarHBondContact CA-ND2 3.45Å; K300-N312 PolarHBondContact NZ-O 3.37Å; N312-R314 VanDerWaalsContact C-N 3.26Å; N312-R314 PolarHBondContact O-N 3.17Å; N312-R314 VanDerWaalsContact OD1-CB 3.29Å; N312-R314 WeakPolarHBondContact OD1-CB 3.34Å; N312-R314 WeakPolarHBondContact OD1-CG 3.46Å; N312-R314 PolarHBondContact OD1-N 2.8Å; N312-I315 HydrophobicContact CB-CD1 4.09Å; N312-I315 HydrophobicContact CB-CG1 4.16Å; N312-I315 WeakPolarHBondContact O-CB 3.18Å; N312-I315 PolarHBondContact O-N 3.17Å; N312-I315 VanDerWaalsContact O-N 3.13Å |
| 313 | D | 92.6 | Very high | 92.6 | Very high | 111 Ų | 111 | 39.2 Ų | 39.2 | 59% | 0.594 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -22.5 | 178 | -62.8 | -36.5 | 0 | 0 | 0 | 113.6 | P102 I315 | P102-D313 HydrophobicContact CG-CB 4.11Å; P102-D313 WeakPolarHBondContact CG-O 3.26Å; D313-I315 PolarHBondContact O-N 2.85Å |
| 314 | R | 94.5 | Very high | 92.4 | Very high | 20 Ų | 20 | 40.1 Ų | 40.1 | 8% | 0.075 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -9.4 | 173.2 | -61.7 | 169.8 | 174.1 | 162.9 | 7.1 | 113.3 | G93 V95 F99 Y100 D101 Y120 N312 | G93-R314 WeakPolarHBondContact O-CD 3.33Å; G93-R314 PolarHBondContact O-NH1 2.96Å; V95-R314 HydrophobicContact CG1-CB 4.09Å; V95-R314 HydrophobicContact CG2-CB 3.91Å; F99-R314 HydrophobicContact CD2-CB 4.33Å; F99-R314 HydrophobicContact CD2-CG 4.11Å; F99-R314 HydrophobicContact CE2-CG 4.36Å; Y100-R314 WeakPolarHBondContact O-CG 3.36Å; D101-R314 IonicContact OD1-CZ 2.77Å; D101-R314 IonicContact OD1-NE 3.77Å; D101-R314 PolarHBondContact OD1-NE 3.15Å; D101-R314 IonicContact OD1-NH2 3.69Å; D101-R314 PolarHBondContact OD1-NH2 3.01Å; Y120-R314 PolarHBondContact O-NH1 3.05Å; N312-R314 VanDerWaalsContact C-N 3.26Å; N312-R314 PolarHBondContact O-N 3.17Å; N312-R314 VanDerWaalsContact OD1-CB 3.29Å; N312-R314 WeakPolarHBondContact OD1-CB 3.34Å; N312-R314 WeakPolarHBondContact OD1-CG 3.46Å; N312-R314 PolarHBondContact OD1-N 2.8Å |
| 315 | I | 94.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -93.5 | 116.3 | 173.1 | -54.3 | 175.9 | 0 | 0 | 0 | 106.9 | E90 V95 K300 I303 F309 N312 D313 | E90-I315 HydrophobicContact CB-CD1 4.31Å; V95-I315 HydrophobicContact CB-CG1 4.34Å; V95-I315 HydrophobicContact CG1-CD1 4.17Å; V95-I315 HydrophobicContact CG1-CG1 3.66Å; K300-I315 VanDerWaalsContact CE-O 3.31Å; K300-I315 WeakPolarHBondContact CE-O 3.35Å; K300-I315 PolarHBondContact NZ-O 2.88Å; I303-I315 HydrophobicContact CD1-CG2 4.13Å; F309-I315 HydrophobicContact CB-CD1 4.35Å; F309-I315 HydrophobicContact CD1-CD1 3.93Å; F309-I315 HydrophobicContact CD1-CG1 4.44Å; F309-I315 HydrophobicContact CD1-CG2 4.07Å; F309-I315 HydrophobicContact CD2-CD1 3.75Å; F309-I315 HydrophobicContact CE1-CD1 4.11Å; F309-I315 HydrophobicContact CE1-CG1 4.14Å; F309-I315 HydrophobicContact CE1-CG2 3.85Å; F309-I315 HydrophobicContact CE2-CD1 3.93Å; F309-I315 HydrophobicContact CE2-CG1 4.2Å; F309-I315 HydrophobicContact CG-CD1 3.75Å; F309-I315 HydrophobicContact CZ-CD1 4.11Å; F309-I315 HydrophobicContact CZ-CG1 4.02Å; N312-I315 HydrophobicContact CB-CD1 4.09Å; N312-I315 HydrophobicContact CB-CG1 4.16Å; N312-I315 WeakPolarHBondContact O-CB 3.18Å; N312-I315 PolarHBondContact O-N 3.17Å; N312-I315 VanDerWaalsContact O-N 3.13Å; D313-I315 PolarHBondContact O-N 2.85Å |
| 316 | P | 93.5 | Very high | 92.3 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.019 | 18% | 0.18 | C | C | . | . | trans | -75.7 | 178.6 | -174.2 | 34.5 | -39.6 | 0 | 0 | 0 | 112.6 | L271 V272 H273 I318 | L271-P316 HydrophobicContact CB-CG 3.74Å; L271-P316 HydrophobicContact CD2-CG 4.41Å; V272-P316 WeakPolarHBondContact O-CB 3.21Å; H273-P316 VanDerWaalsContact CE1-CB 3.45Å; H273-P316 WeakPolarHBondContact CE1-CB 3.18Å; H273-P316 WeakPolarHBondContact ND1-CB 2.94Å; P316-I318 WeakPolarHBondContact CG-O 3.45Å; P316-I318 PolarHBondContact O-N 2.7Å | ||
| 317 | E | 92.1 | Very high | 92.4 | Very high | 78 Ų | 78 | 32 Ų | 32 | 36% | 0.364 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -65.8 | -21.4 | 178.4 | -54.8 | 99.1 | 117.9 | 0 | 0 | 114.1 | H273 Q299 K300 | H273-E317 IonicContact ND1-OE2 2.66Å; H273-E317 PolarHBondContact ND1-OE2 3.1Å; Q299-E317 CarbonylContact C-O 3.52Å; Q299-E317 WeakPolarHBondContact CA-O 3.36Å; K300-E317 PolarHBondContact N-O 2.73Å |
| 318 | I | 96 | Very high | 92.3 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 123.6 | -176.6 | -52.7 | 169.5 | 0 | 0 | 0 | 110.4 | V272 P274 K279 T282 I283 L286 V297 F298 P316 | V272-I318 HydrophobicContact CB-CB 4.3Å; V272-I318 PolarHBondContact N-O 3.21Å; V272-I318 PolarHBondContact O-N 2.64Å; P274-I318 HydrophobicContact CB-CD1 4.15Å; P274-I318 HydrophobicContact CG-CD1 4.08Å; K279-I318 HydrophobicContact CG-CD1 4.5Å; T282-I318 HydrophobicContact CG2-CD1 3.48Å; T282-I318 VanDerWaalsContact CG2-CD1 3.48Å; I283-I318 HydrophobicContact CD1-CD1 4.43Å; I283-I318 HydrophobicContact CD1-CG1 4.48Å; I283-I318 HydrophobicContact CG1-CD1 3.71Å; I283-I318 HydrophobicContact CG1-CG1 4.01Å; L286-I318 HydrophobicContact CD1-CG2 3.8Å; V297-I318 HydrophobicContact CG1-CG2 3.87Å; F298-I318 WeakPolarHBondContact O-CA 3.44Å; P316-I318 WeakPolarHBondContact CG-O 3.45Å; P316-I318 PolarHBondContact O-N 2.7Å |
| 319 | L | 95.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 122.4 | 173.2 | 172.1 | 67.7 | 0 | 0 | 0 | 109.1 | Y72 Y269 L271 F298 I303 W307 F309 T321 | Y72-L319 HydrophobicContact CE1-CD2 4.06Å; Y269-L319 HydrophobicContact CD2-CD1 4.12Å; L271-L319 HydrophobicContact CD2-CD1 3.82Å; F298-L319 HydrophobicContact CB-CB 4.41Å; F298-L319 PolarHBondContact N-O 2.68Å; F298-L319 PolarHBondContact O-N 2.65Å; I303-L319 HydrophobicContact CD1-CB 4.09Å; I303-L319 HydrophobicContact CD1-CD2 3.91Å; I303-L319 HydrophobicContact CG1-CB 4.44Å; I303-L319 HydrophobicContact CG1-CD2 4.06Å; I303-L319 HydrophobicContact CG2-CD2 4.35Å; W307-L319 HydrophobicContact CZ3-CD2 4.13Å; F309-L319 HydrophobicContact CD1-CD2 4.21Å; F309-L319 HydrophobicContact CE1-CD1 4.24Å; F309-L319 HydrophobicContact CE1-CD2 4.38Å; L319-T321 HydrophobicContact CD1-CG2 4.16Å; L319-T321 HydrophobicContact CD2-CG2 3.83Å; L319-T321 HydrophobicContact CG-CG2 3.71Å |
| 320 | V | 95.2 | Very high | 90.7 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 136.8 | 166.9 | -169.1 | 0 | 0 | 0 | 0 | 108.1 | I253 Y269 W270 V272 L286 V295 N296 V297 L328 | I253-V320 HydrophobicContact CD1-CG1 4.47Å; Y269-V320 CarbonylContact C-O 3.16Å; Y269-V320 WeakPolarHBondContact CA-O 3.24Å; Y269-V320 WeakPolarHBondContact CB-O 3.18Å; W270-V320 HydrophobicContact CB-CB 4.11Å; W270-V320 HydrophobicContact CB-CG2 4.36Å; W270-V320 PolarHBondContact N-O 3.26Å; W270-V320 PolarHBondContact O-N 2.63Å; V272-V320 HydrophobicContact CG2-CG2 4.32Å; L286-V320 HydrophobicContact CD1-CG2 3.86Å; L286-V320 HydrophobicContact CD2-CG2 4.01Å; L286-V320 HydrophobicContact CG-CG2 4.41Å; V295-V320 HydrophobicContact CG1-CG1 3.98Å; N296-V320 CarbonylContact O-C 3.55Å; N296-V320 WeakPolarHBondContact O-CA 3.42Å; V297-V320 HydrophobicContact CG2-CG1 4.46Å; V320-L328 HydrophobicContact CB-CD1 4.4Å; V320-L328 HydrophobicContact CG1-CD1 3.91Å |
| 321 | T | 94.8 | Very high | 89.2 | Confident | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.018 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 152.1 | 174.7 | 76 | 0 | 0 | 0 | 0 | 111.5 | Y72 V295 N296 F298 W307 L319 | Y72-T321 VanDerWaalsContact OH-CG2 3.22Å; Y72-T321 WeakPolarHBondContact OH-CG2 3.41Å; V295-T321 CarbonylContact C-O 3.35Å; V295-T321 VanDerWaalsContact CA-O 3.27Å; V295-T321 WeakPolarHBondContact CA-O 3.44Å; N296-T321 PolarHBondContact N-O 3.49Å; N296-T321 PolarHBondContact O-N 2.78Å; F298-T321 HydrophobicContact CD2-CG2 4.14Å; F298-T321 HydrophobicContact CE2-CG2 4.14Å; W307-T321 HydrophobicContact CH2-CG2 4.15Å; W307-T321 HydrophobicContact CZ3-CG2 4Å; L319-T321 HydrophobicContact CD1-CG2 4.16Å; L319-T321 HydrophobicContact CD2-CG2 3.83Å; L319-T321 HydrophobicContact CG-CG2 3.71Å |
| 322 | A | 93.1 | Very high | 87 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 160 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A268 K294 L328 Y342 | A268-A322 PolarHBondContact O-N 3.23Å; K294-A322 CarbonylContact O-C 3.47Å; K294-A322 WeakPolarHBondContact O-CA 3.4Å; A322-L328 HydrophobicContact CB-CD1 4.4Å; A322-L328 HydrophobicContact CB-CD2 4.08Å; A322-L328 HydrophobicContact CB-CG 3.93Å; A322-Y342 HydrophobicContact CB-CD1 4.36Å; A322-Y342 HydrophobicContact CB-CE1 3.99Å; A322-Y342 WeakPolarHBondContact O-CD1 3.47Å |
| 323 | E | 92.7 | Very high | 84.4 | Confident | 67 Ų | 67 | 35.8 Ų | 35.8 | 31% | 0.313 | 20% | 0.2 | S | C | . | . | trans | -91.4 | 153.9 | 165.6 | -75.6 | -61.8 | 133.4 | 0 | 0 | 111.4 | G293 K294 G325 Y326 Y342 | G293-E323 VanDerWaalsContact O-CG 3.25Å; G293-E323 WeakPolarHBondContact O-CG 3.48Å; K294-E323 HydrophobicContact CD-CB 4.23Å; K294-E323 PolarHBondContact O-N 2.97Å; E323-G325 PolarHBondContact O-N 3.47Å; E323-Y326 PolarHBondContact O-N 3.03Å; E323-Y342 WeakPolarHBondContact O-CE1 3.3Å | ||
| 324 | P | 90.2 | Very high | 82.3 | Confident | 21 Ų | 21 | 32.5 Ų | 32.5 | 14% | 0.136 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 122.7 | 179.1 | -24.1 | 31.8 | 0 | 0 | 0 | 112.9 | A245 Y342 S346 R348 | A245-P324 HydrophobicContact CB-CB 3.9Å; P324-Y342 HydrophobicContact CB-CD2 4.02Å; P324-Y342 HydrophobicContact CB-CE2 4.35Å; P324-Y342 HydrophobicContact CB-CG 4.22Å; P324-Y342 HydrophobicContact CG-CD1 4.47Å; P324-Y342 HydrophobicContact CG-CD2 4.07Å; P324-Y342 HydrophobicContact CG-CG 3.86Å; P324-S346 WeakPolarHBondContact CG-OG 3.19Å; P324-R348 PolarHBondContact O-NH1 2.9Å |
| 325 | G | 87 | Confident | 80.3 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 113.5 | -23.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | K246 D248 A249 E323 | K246-G325 WeakPolarHBondContact O-CA 3.33Å; D248-G325 WeakPolarHBondContact CA-O 3.48Å; D248-G325 PolarHBondContact N-O 3.36Å; A249-G325 PolarHBondContact N-O 3.07Å; E323-G325 PolarHBondContact O-N 3.47Å |
| 326 | Y | 89 | Confident | 79 | Confident | 65 Ų | 65 | 40.3 Ų | 40.3 | 26% | 0.255 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 140.9 | 179.7 | -76.4 | -108.6 | 0 | 0 | 0 | 111.1 | A249 K294 E323 Y342 | A249-Y326 HydrophobicContact CB-CD1 4.06Å; A249-Y326 HydrophobicContact CB-CE1 3.89Å; A249-Y326 HydrophobicContact CB-CG 4.48Å; A249-Y326 CarbonylContact O-C 3.48Å; A249-Y326 WeakPolarHBondContact O-CA 3.4Å; K294-Y326 HydrophobicContact CB-CD1 4.05Å; K294-Y326 HydrophobicContact CB-CD2 3.88Å; K294-Y326 HydrophobicContact CB-CE1 3.93Å; K294-Y326 HydrophobicContact CB-CE2 3.81Å; K294-Y326 HydrophobicContact CB-CG 4.03Å; K294-Y326 HydrophobicContact CD-CD2 4.25Å; K294-Y326 HydrophobicContact CD-CE2 3.86Å; K294-Y326 HydrophobicContact CG-CD2 4.22Å; K294-Y326 HydrophobicContact CG-CE1 4.35Å; K294-Y326 HydrophobicContact CG-CE2 3.7Å; E323-Y326 PolarHBondContact O-N 3.03Å; Y326-Y342 WeakPolarHBondContact O-CE1 3.42Å; Y326-Y342 PolarHBondContact O-OH 3.38Å |
| 327 | V | 87 | Confident | 78.5 | Confident | 6 Ų | 6 | 41.6 Ų | 41.6 | 4% | 0.036 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 131.2 | 173 | 164.5 | 0 | 0 | 0 | 0 | 110.3 | V247 A249 I250 R251 D267 Q339 | V247-V327 HydrophobicContact CB-CG2 4.41Å; V247-V327 HydrophobicContact CG1-CB 4.48Å; V247-V327 HydrophobicContact CG1-CG2 3.75Å; V247-V327 HydrophobicContact CG2-CG2 3.74Å; A249-V327 PolarHBondContact O-N 3.34Å; I250-V327 HydrophobicContact CG1-CB 4.44Å; R251-V327 PolarHBondContact N-O 3Å; D267-V327 HydrophobicContact CB-CG1 3.96Å; D267-V327 CarbonylContact O-C 3.49Å; D267-V327 VanDerWaalsContact O-CA 3.24Å; D267-V327 WeakPolarHBondContact O-CA 2.84Å; V327-Q339 HydrophobicContact CG2-CB 4.29Å; V327-Q339 HydrophobicContact CG2-CG 4.25Å |
| 328 | L | 86.8 | Confident | 78.2 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 111.7 | 172.9 | -56.3 | -179 | 0 | 0 | 0 | 109.9 | R251 I253 D267 W270 V295 V320 A322 | R251-L328 HydrophobicContact CB-CD2 4.43Å; I253-L328 HydrophobicContact CD1-CD2 4.1Å; D267-L328 PolarHBondContact O-N 2.99Å; W270-L328 HydrophobicContact CG-CD1 4.31Å; W270-L328 HydrophobicContact CZ2-CB 4.41Å; W270-L328 VanDerWaalsContact NE1-CB 3.34Å; V295-L328 HydrophobicContact CB-CD2 4.44Å; V295-L328 HydrophobicContact CG1-CD2 3.85Å; V295-L328 HydrophobicContact CG2-CD2 3.7Å; V320-L328 HydrophobicContact CB-CD1 4.4Å; V320-L328 HydrophobicContact CG1-CD1 3.91Å; A322-L328 HydrophobicContact CB-CD1 4.4Å; A322-L328 HydrophobicContact CB-CD2 4.08Å; A322-L328 HydrophobicContact CB-CG 3.93Å |
| 329 | N | 80.7 | Confident | 78 | Confident | 34 Ų | 34 | 38.1 Ų | 38.1 | 18% | 0.182 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 154.3 | 179.5 | -155.9 | -22.8 | 0 | 0 | 0 | 111.4 | I250 R251 T252 I253 N331 S333 | I250-N329 HydrophobicContact CG2-CB 3.85Å; R251-N329 PolarHBondContact O-N 3.47Å; T252-N329 CarbonylContact C-O 3.48Å; T252-N329 VanDerWaalsContact CA-O 3.31Å; T252-N329 WeakPolarHBondContact CA-O 3.26Å; I253-N329 PolarHBondContact N-O 3.31Å; N329-N331 WeakPolarHBondContact CB-O 3.13Å; N329-N331 PolarHBondContact ND2-O 3.15Å; N329-N331 VanDerWaalsContact ND2-O 3.09Å; N329-N331 PolarHBondContact OD1-N 3.14Å; N329-N331 PolarHBondContact OD1-O 3.14Å; N329-N331 VanDerWaalsContact OD1-O 3.1Å; N329-S333 PolarHBondContact ND2-O 3.4Å |
| 330 | V | 71.9 | Confident | 77.9 | Confident | 43 Ų | 43 | 38.6 Ų | 38.6 | 26% | 0.261 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -81.8 | -39.3 | 175 | -178.7 | 0 | 0 | 0 | 0 | 110.5 | T252 I255 T265 W270 | T252-V330 VanDerWaalsContact CG2-O 3.26Å; T252-V330 WeakPolarHBondContact CG2-O 3.34Å; I255-V330 HydrophobicContact CD1-CB 4.31Å; I255-V330 HydrophobicContact CD1-CG1 3.64Å; I255-V330 HydrophobicContact CD1-CG2 3.61Å; I255-V330 HydrophobicContact CG1-CG1 3.96Å; I255-V330 HydrophobicContact CG1-CG2 4.14Å; T265-V330 HydrophobicContact CG2-CG2 4.3Å; W270-V330 HydrophobicContact CH2-CG2 3.73Å; W270-V330 HydrophobicContact CZ2-CG2 3.85Å |
| 331 | N | 60.1 | Low | 77.7 | Confident | 102 Ų | 102 | 38.6 Ų | 38.6 | 55% | 0.545 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -125.6 | 159.8 | 179.7 | -69 | 1.3 | 0 | 0 | 0 | 109.6 | N329 S333 | N329-N331 WeakPolarHBondContact CB-O 3.13Å; N329-N331 PolarHBondContact ND2-O 3.15Å; N329-N331 VanDerWaalsContact ND2-O 3.09Å; N329-N331 PolarHBondContact OD1-N 3.14Å; N329-N331 PolarHBondContact OD1-O 3.14Å; N329-N331 VanDerWaalsContact OD1-O 3.1Å; N331-S333 PolarHBondContact O-N 3.21Å |
| 332 | S | 46.3 | Very low | 77.7 | Confident | 107 Ų | 107 | 38.5 Ų | 38.5 | 75% | 0.748 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -71.9 | 16.4 | -176.8 | 50.4 | 0 | 0 | 0 | 0 | 115.7 | ||
| 333 | S | 38.6 | Very low | 77.4 | Confident | 88 Ų | 88 | 38.9 Ų | 38.9 | 62% | 0.615 | 24% | 0.244 | S | C | * | . | trans | -108.3 | 107.6 | -173 | 60.7 | 0 | 0 | 0 | 0 | 112.7 | N329 N331 | N329-S333 PolarHBondContact ND2-O 3.4Å; N331-S333 PolarHBondContact O-N 3.21Å | ||
| 334 | G | 48.8 | Very low | 77 | Confident | 41 Ų | 41 | 36.2 Ų | 36.2 | 42% | 0.423 | 23% | 0.232 | S | C | . | . | trans | 168.8 | 119 | 168 | 0 | 0 | 0 | 0 | 0 | 113 | I250 | I250-G334 VanDerWaalsContact CD1-O 3.22Å; I250-G334 WeakPolarHBondContact CD1-O 3.18Å | ||
| 335 | S | 52.9 | Low | 76.6 | Confident | 121 Ų | 121 | 37.3 Ų | 37.3 | 85% | 0.846 | 25% | 0.247 | S | C | * | . | trans | -102.3 | 77.8 | 174.7 | 60.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 336 | L | 67.3 | Low | 76.7 | Confident | 64 Ų | 64 | 38.5 Ų | 38.5 | 34% | 0.335 | 26% | 0.255 | S | S | . | . | trans | -93.6 | 133.2 | 168.3 | -67 | 178 | 0 | 0 | 0 | 109.1 | V247 D267 | V247-L336 WeakPolarHBondContact CB-O 3.27Å; V247-L336 HydrophobicContact CG2-CB 4.23Å; D267-L336 WeakPolarHBondContact OD2-CD1 3.47Å | ||
| 337 | A | 82.3 | Confident | 76.7 | Confident | 30 Ų | 30 | 42 Ų | 42 | 25% | 0.248 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -94.9 | -22.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | H198 G201 K246 V247 | H198-A337 PolarHBondContact O-N 3.44Å; G201-A337 WeakPolarHBondContact CA-O 3.5Å; K246-A337 WeakPolarHBondContact CA-O 3.29Å; V247-A337 PolarHBondContact N-O 2.83Å |
| 338 | G | 86.7 | Confident | 77 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 152.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | G197 H198 A245 | G197-G338 VanDerWaalsContact O-CA 3.29Å; G197-G338 WeakPolarHBondContact O-CA 3.3Å; G197-G338 PolarHBondContact O-N 2.87Å; H198-G338 PolarHBondContact CE1-O 2.82Å; H198-G338 PolarHBondContact ND1-O 3.29Å; H198-G338 PolarHBondContact O-N 3.4Å; A245-G338 CarbonylContact O-C 3.53Å; A245-G338 WeakPolarHBondContact O-CA 3.43Å |
| 339 | Q | 91.5 | Very high | 77.3 | Confident | 6 Ų | 6 | 46.4 Ų | 46.4 | 3% | 0.028 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 161.9 | 177 | -170 | 46.8 | -83.6 | 0 | 0 | 110.6 | H198 M244 A245 V247 D267 V327 Y342 | H198-Q339 PolarHBondContact NE2-NE2 3.48Å; H198-Q339 PolarHBondContact NE2-OE1 2.96Å; M244-Q339 PolarHBondContact SD-N 3.08Å; M244-Q339 VanDerWaalsContact SD-N 3.36Å; A245-Q339 PolarHBondContact N-O 3.42Å; A245-Q339 PolarHBondContact O-N 3.45Å; V247-Q339 HydrophobicContact CG2-CB 3.75Å; D267-Q339 HydrophobicContact CB-CG 3.79Å; D267-Q339 PolarHBondContact OD2-NE2 2.96Å; V327-Q339 HydrophobicContact CG2-CB 4.29Å; V327-Q339 HydrophobicContact CG2-CG 4.25Å; Q339-Y342 WeakPolarHBondContact O-CE2 3.5Å |
| 340 | H | 93.5 | Very high | 77.8 | Confident | 10 Ų | 10 | 46.9 Ų | 46.9 | 5% | 0.046 | 28% | 0.283 | C | S | . | . | trans | -140.2 | -170.9 | 179.8 | 63.9 | 98 | 0 | 0 | 0 | 110.3 | T74 D194 H198 H242 H266 A268 M349 | T74-H340 PolarHBondContact O-ND1 3.44Å; D194-H340 IonicContact OD1-CD2 2.66Å; D194-H340 IonicContact OD1-NE2 3.81Å; H198-H340 AromaticContact NE2-CD2 2.9Å; H198-H340 PolarHBondContact NE2-CD2 3.17Å; H198-H340 AromaticContact NE2-NE2 3.07Å; H198-H340 PolarHBondContact NE2-NE2 3.27Å; H242-H340 AromaticContact CD2-ND1 3.67Å; H242-H340 AromaticContact CE1-CD2 3.78Å; H242-H340 AromaticContact CE1-CE1 3.23Å; H242-H340 PolarHBondContact CE1-CE1 2.78Å; H242-H340 AromaticContact CE1-CG 3.54Å; H242-H340 AromaticContact CE1-ND1 3.19Å; H242-H340 PolarHBondContact CE1-ND1 3.09Å; H242-H340 AromaticContact CE1-NE2 3.66Å; H242-H340 AromaticContact CG-ND1 3.75Å; H242-H340 AromaticContact ND1-CE1 3.96Å; H242-H340 AromaticContact ND1-CG 3.57Å; H242-H340 AromaticContact ND1-ND1 3.45Å; H242-H340 PolarHBondContact ND1-ND1 3.04Å; H242-H340 AromaticContact NE2-CE1 3.18Å; H242-H340 PolarHBondContact NE2-CE1 3.36Å; H242-H340 AromaticContact NE2-ND1 3.25Å; H242-H340 PolarHBondContact NE2-ND1 3.45Å; H242-H340 AromaticContact NE2-NE2 4Å; H266-H340 PolarHBondContact CE1-O 3.06Å; A268-H340 WeakPolarHBondContact CB-O 3.33Å; H340-M349 HydrophobicContact CB-CE 3.93Å; H340-M349 HydrophobicContact CB-SD 3.88Å | ||
| 341 | G | 91.1 | Very high | 78.8 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | 93.9 | 2.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | T74 | T74-G341 WeakPolarHBondContact O-CA 3.46Å; T74-G341 PolarHBondContact O-N 3.37Å; T74-G341 VanDerWaalsContact OG1-CA 3.23Å; T74-G341 WeakPolarHBondContact OG1-CA 3.47Å; T74-G341 PolarHBondContact OG1-N 2.81Å | ||
| 342 | Y | 93.4 | Very high | 80.4 | Confident | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | trans | -71.3 | 173.6 | 177 | -55 | -68.8 | 0 | 0 | 0 | 113.4 | T74 A245 A268 A322 E323 P324 Y326 Q339 N344 M349 | T74-Y342 WeakPolarHBondContact CG2-O 3.49Å; T74-Y342 PolarHBondContact OG1-N 2.83Å; T74-Y342 PolarHBondContact OG1-O 2.97Å; A245-Y342 HydrophobicContact CB-CD2 4.2Å; A245-Y342 HydrophobicContact CB-CE2 3.89Å; A268-Y342 HydrophobicContact CB-CD1 3.72Å; A268-Y342 HydrophobicContact CB-CE1 3.69Å; A268-Y342 HydrophobicContact CB-CG 4.29Å; A322-Y342 HydrophobicContact CB-CD1 4.36Å; A322-Y342 HydrophobicContact CB-CE1 3.99Å; A322-Y342 WeakPolarHBondContact O-CD1 3.47Å; E323-Y342 WeakPolarHBondContact O-CE1 3.3Å; P324-Y342 HydrophobicContact CB-CD2 4.02Å; P324-Y342 HydrophobicContact CB-CE2 4.35Å; P324-Y342 HydrophobicContact CB-CG 4.22Å; P324-Y342 HydrophobicContact CG-CD1 4.47Å; P324-Y342 HydrophobicContact CG-CD2 4.07Å; P324-Y342 HydrophobicContact CG-CG 3.86Å; Y326-Y342 WeakPolarHBondContact O-CE1 3.42Å; Y326-Y342 PolarHBondContact O-OH 3.38Å; Q339-Y342 WeakPolarHBondContact O-CE2 3.5Å; Y342-N344 PolarHBondContact O-N 2.66Å; Y342-M349 HydrophobicContact CD2-CE 3.97Å; Y342-M349 HydrophobicContact CD2-CG 4.45Å; Y342-M349 HydrophobicContact CD2-SD 3.67Å; Y342-M349 HydrophobicContact CG-SD 4.29Å | ||
| 343 | G | 88.5 | Confident | 82.6 | Confident | 9 Ų | 9 | 36.2 Ų | 36.2 | 9% | 0.093 | 22% | 0.215 | C | C | . | . | trans | -52.6 | 132.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G345 S346 | G343-G345 PolarHBondContact O-N 2.87Å; G343-G345 VanDerWaalsContact O-N 3.11Å; G343-S346 WeakPolarHBondContact O-CB 3.29Å; G343-S346 PolarHBondContact O-N 2.75Å; G343-S346 VanDerWaalsContact O-N 3.13Å | ||
| 344 | N | 84.3 | Confident | 85.2 | Confident | 11 Ų | 11 | 32.1 Ų | 32.1 | 6% | 0.059 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -5.1 | -174.9 | 70.4 | -8.3 | 0 | 0 | 0 | 115.5 | S70 T74 W307 Y342 S346 | S70-N344 WeakPolarHBondContact O-CB 3.37Å; S70-N344 PolarHBondContact O-ND2 3.35Å; S70-N344 VanDerWaalsContact O-ND2 3.09Å; T74-N344 HydrophobicContact CG2-CB 3.93Å; W307-N344 VanDerWaalsContact CD1-OD1 3.23Å; Y342-N344 PolarHBondContact O-N 2.66Å; N344-S346 VanDerWaalsContact C-N 3.26Å |
| 345 | G | 82.1 | Confident | 87.1 | Confident | 44 Ų | 44 | 30.1 Ų | 30.1 | 45% | 0.454 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -25.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | G343 R347 | G343-G345 PolarHBondContact O-N 2.87Å; G343-G345 VanDerWaalsContact O-N 3.11Å; G345-R347 PolarHBondContact O-N 3.48Å |
| 346 | S | 87.5 | Confident | 88.9 | Confident | 26 Ų | 26 | 25 Ų | 25 | 18% | 0.182 | 13% | 0.129 | C | C | . | . | trans | -67.3 | 128.3 | -177 | 178.1 | 0 | 0 | 0 | 0 | 112.6 | P324 G343 N344 R348 M349 | P324-S346 WeakPolarHBondContact CG-OG 3.19Å; G343-S346 WeakPolarHBondContact O-CB 3.29Å; G343-S346 PolarHBondContact O-N 2.75Å; G343-S346 VanDerWaalsContact O-N 3.13Å; N344-S346 VanDerWaalsContact C-N 3.26Å; S346-R348 PolarHBondContact O-N 3.03Å; S346-R348 PolarHBondContact OG-N 2.83Å; S346-R348 VanDerWaalsContact OG-N 3.13Å; S346-M349 PolarHBondContact O-N 3.22Å | ||
| 347 | R | 89.6 | Confident | 89.8 | Confident | 138 Ų | 138 | 22.5 Ų | 22.5 | 52% | 0.521 | 12% | 0.119 | S | C | . | . | G | 310 helix | trans | -56.8 | -31.4 | 169.3 | -71 | -174.3 | -179 | -113.2 | 6.9 | 112.1 | W37 Y38 D66 G345 M349 R350 | W37-R347 PolarHBondContact NE1-O 3.4Å; Y38-R347 HydrophobicContact CE1-CB 4.29Å; Y38-R347 VanDerWaalsContact CE1-O 3.28Å; Y38-R347 WeakPolarHBondContact CE1-O 3.39Å; D66-R347 IonicContact OD1-CZ 3.12Å; D66-R347 IonicContact OD1-NH1 3.85Å; D66-R347 PolarHBondContact OD1-NH1 2.94Å; G345-R347 PolarHBondContact O-N 3.48Å; R347-M349 PolarHBondContact O-N 3.06Å; R347-R350 PolarHBondContact O-N 3.28Å |
| 348 | R | 92.8 | Very high | 89.8 | Confident | 98 Ų | 98 | 24 Ų | 24 | 37% | 0.37 | 13% | 0.126 | S | C | . | . | G | 310 helix | trans | -65.3 | -22.4 | 178.4 | -62.1 | -179.8 | 179.9 | 175.7 | -4.1 | 113 | W37 G243 M244 A245 P324 S346 | W37-R348 VanDerWaalsContact CD1-O 3.31Å; G243-R348 CarbonylContact C-O 3.5Å; G243-R348 WeakPolarHBondContact CA-O 3.32Å; M244-R348 PolarHBondContact N-O 2.85Å; A245-R348 HydrophobicContact CB-CB 4.05Å; P324-R348 PolarHBondContact O-NH1 2.9Å; S346-R348 PolarHBondContact O-N 3.03Å; S346-R348 PolarHBondContact OG-N 2.83Å; S346-R348 VanDerWaalsContact OG-N 3.13Å |
| 349 | M | 93.8 | Very high | 89.3 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -97.5 | 2.1 | -179.1 | -62.5 | -68.2 | 89.2 | 0 | 0 | 114.1 | T74 G243 A245 H340 Y342 S346 R347 | T74-M349 HydrophobicContact CG2-CB 4.07Å; T74-M349 HydrophobicContact CG2-CG 4.5Å; T74-M349 PolarHBondContact OG1-SD 3.02Å; G243-M349 PolarHBondContact N-O 3.27Å; G243-M349 VanDerWaalsContact N-O 3.07Å; A245-M349 HydrophobicContact CB-CE 3.89Å; H340-M349 HydrophobicContact CB-CE 3.93Å; H340-M349 HydrophobicContact CB-SD 3.88Å; Y342-M349 HydrophobicContact CD2-CE 3.97Å; Y342-M349 HydrophobicContact CD2-CG 4.45Å; Y342-M349 HydrophobicContact CD2-SD 3.67Å; Y342-M349 HydrophobicContact CG-SD 4.29Å; S346-M349 PolarHBondContact O-N 3.22Å; R347-M349 PolarHBondContact O-N 3.06Å |
| 350 | R | 91.4 | Very high | 88.4 | Confident | 44 Ų | 44 | 27.9 Ų | 27.9 | 17% | 0.166 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 130.9 | -179.4 | -65.8 | -176.3 | -171.7 | -169.9 | 0.9 | 111.9 | Y38 D66 I68 R347 | Y38-R350 HydrophobicContact CD1-CB 3.64Å; Y38-R350 HydrophobicContact CE1-CB 4.09Å; Y38-R350 PolarHBondContact N-O 3.08Å; Y38-R350 VanDerWaalsContact N-O 3.1Å; D66-R350 WeakPolarHBondContact O-CD 3.26Å; D66-R350 PolarHBondContact O-NH1 3.05Å; I68-R350 CarbonylContact O-C 3.44Å; I68-R350 VanDerWaalsContact O-CA 3.24Å; I68-R350 WeakPolarHBondContact O-CA 3.5Å; I68-R350 WeakPolarHBondContact O-CB 3.21Å; R347-R350 PolarHBondContact O-N 3.28Å |
| 351 | A | 92 | Very high | 86.7 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 155.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G67 I68 S240 | G67-A351 WeakPolarHBondContact CA-O 3.35Å; I68-A351 HydrophobicContact CD1-CB 4.49Å; I68-A351 HydrophobicContact CG1-CB 3.92Å; I68-A351 PolarHBondContact N-O 3.37Å; I68-A351 PolarHBondContact O-N 2.98Å; S240-A351 WeakPolarHBondContact O-CB 3.24Å |
| 352 | L | 94.6 | Very high | 85 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -59.2 | 146.7 | 164.8 | -177.2 | 65 | 0 | 0 | 0 | 111.8 | L33 F36 V41 F63 I238 T239 S240 I354 | L33-L352 HydrophobicContact CD1-CD2 4.45Å; F36-L352 HydrophobicContact CB-CB 4.36Å; F36-L352 HydrophobicContact CD1-CB 3.7Å; F36-L352 HydrophobicContact CD1-CD1 4.33Å; F36-L352 HydrophobicContact CD1-CD2 3.8Å; F36-L352 HydrophobicContact CD1-CG 4.15Å; F36-L352 HydrophobicContact CD2-CD2 4.23Å; F36-L352 HydrophobicContact CE1-CB 4.27Å; F36-L352 HydrophobicContact CE1-CD1 4.04Å; F36-L352 HydrophobicContact CE1-CD2 3.81Å; F36-L352 HydrophobicContact CE1-CG 4.26Å; F36-L352 HydrophobicContact CE2-CD2 4.26Å; F36-L352 HydrophobicContact CG-CB 4.22Å; F36-L352 HydrophobicContact CG-CD2 4.01Å; F36-L352 HydrophobicContact CZ-CD2 4.06Å; F36-L352 PolarHBondContact O-N 2.86Å; F36-L352 VanDerWaalsContact O-N 3.1Å; V41-L352 HydrophobicContact CG2-CD1 3.57Å; F63-L352 HydrophobicContact CE2-CD1 4.2Å; I238-L352 HydrophobicContact CG2-CD2 4.11Å; T239-L352 WeakPolarHBondContact CA-O 3.26Å; T239-L352 WeakPolarHBondContact CB-O 3.33Å; T239-L352 PolarHBondContact OG1-O 2.84Å; S240-L352 PolarHBondContact N-O 2.7Å; L352-I354 HydrophobicContact CD1-CD1 4.09Å; L352-I354 HydrophobicContact CD1-CG1 3.99Å; L352-I354 HydrophobicContact CD2-CD1 4.29Å; L352-I354 HydrophobicContact CG-CD1 4.44Å; L352-I354 HydrophobicContact CG-CG1 4.26Å |
| 353 | F | 92.7 | Very high | 82.9 | Confident | 27 Ų | 27 | 48.7 Ų | 48.7 | 12% | 0.118 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 119.3 | 163 | -172.3 | -88.8 | 0 | 0 | 0 | 112 | F63 A64 I68 I237 I238 A355 I390 | F63-F353 VanDerWaalsContact CD2-O 3.3Å; F63-F353 WeakPolarHBondContact CD2-O 3.32Å; A64-F353 HydrophobicContact CB-CB 4.15Å; A64-F353 PolarHBondContact N-O 2.92Å; I68-F353 HydrophobicContact CD1-CB 4.13Å; I68-F353 HydrophobicContact CD1-CD2 4.06Å; I68-F353 HydrophobicContact CD1-CG 4.46Å; I68-F353 HydrophobicContact CG1-CB 4.29Å; I68-F353 HydrophobicContact CG2-CB 3.77Å; I68-F353 HydrophobicContact CG2-CG 4.25Å; I237-F353 HydrophobicContact CG2-CD2 4.46Å; I237-F353 HydrophobicContact CG2-CE2 3.67Å; I237-F353 HydrophobicContact CG2-CZ 3.97Å; I238-F353 CarbonylContact O-C 3.47Å; F353-A355 HydrophobicContact CE1-CB 3.78Å; F353-A355 HydrophobicContact CZ-CB 3.98Å; F353-I390 HydrophobicContact CE1-CD1 3.88Å; F353-I390 HydrophobicContact CZ-CD1 3.56Å |
| 354 | I | 91.9 | Very high | 81 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 134.7 | 174.4 | -48.4 | 173.7 | 0 | 0 | 0 | 108.1 | I54 L57 T58 A62 F63 I237 I238 L352 | I54-I354 HydrophobicContact CG2-CD1 3.98Å; L57-I354 HydrophobicContact CD2-CG2 4.03Å; L57-I354 HydrophobicContact CG-CG2 3.96Å; T58-I354 HydrophobicContact CG2-CD1 3.69Å; T58-I354 HydrophobicContact CG2-CG1 4.03Å; A62-I354 CarbonylContact O-C 3.55Å; A62-I354 WeakPolarHBondContact O-CA 3.32Å; F63-I354 HydrophobicContact CD2-CG1 3.91Å; F63-I354 HydrophobicContact CE2-CG1 4.35Å; I237-I354 CarbonylContact C-O 3.6Å; I237-I354 WeakPolarHBondContact CA-O 3.4Å; I238-I354 HydrophobicContact CB-CB 4.49Å; I238-I354 PolarHBondContact N-O 2.96Å; I238-I354 PolarHBondContact O-N 3.46Å; L352-I354 HydrophobicContact CD1-CD1 4.09Å; L352-I354 HydrophobicContact CD1-CG1 3.99Å; L352-I354 HydrophobicContact CD2-CD1 4.29Å; L352-I354 HydrophobicContact CG-CD1 4.44Å; L352-I354 HydrophobicContact CG-CG1 4.26Å |
| 355 | A | 89 | Confident | 79.3 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 115.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | S61 A62 L236 I237 F353 F360 | S61-A355 WeakPolarHBondContact CB-O 3.21Å; A62-A355 HydrophobicContact CB-CB 4.39Å; A62-A355 PolarHBondContact N-O 3.24Å; A62-A355 PolarHBondContact O-N 3.09Å; L236-A355 WeakPolarHBondContact O-CA 3.37Å; I237-A355 HydrophobicContact CG1-CB 4.37Å; F353-A355 HydrophobicContact CE1-CB 3.78Å; F353-A355 HydrophobicContact CZ-CB 3.98Å; A355-F360 HydrophobicContact CB-CD1 3.76Å; A355-F360 HydrophobicContact CB-CD2 3.84Å; A355-F360 HydrophobicContact CB-CE1 3.78Å; A355-F360 HydrophobicContact CB-CE2 3.82Å; A355-F360 HydrophobicContact CB-CG 3.8Å; A355-F360 HydrophobicContact CB-CZ 3.8Å |
| 356 | H | 90.1 | Very high | 77.8 | Confident | 13 Ų | 13 | 55.2 Ų | 55.2 | 6% | 0.06 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 150.3 | -178.7 | -166.5 | 78 | 0 | 0 | 0 | 111.1 | L57 S60 S61 Y231 N235 L236 F360 | L57-H356 HydrophobicContact CD1-CB 4.09Å; S60-H356 PolarHBondContact O-CE1 3.42Å; S60-H356 PolarHBondContact O-ND1 3.17Å; S61-H356 WeakPolarHBondContact OG-CB 2.78Å; S61-H356 PolarHBondContact OG-ND1 3.28Å; Y231-H356 AromaticContact CE1-CD2 3.87Å; Y231-H356 AromaticContact CE1-NE2 3.22Å; Y231-H356 WeakPolarHBondContact CE1-NE2 3.47Å; Y231-H356 AromaticContact CZ-CD2 3.52Å; Y231-H356 AromaticContact CZ-CE1 3.96Å; Y231-H356 AromaticContact CZ-NE2 3.26Å; Y231-H356 VanDerWaalsContact CZ-NE2 3.26Å; Y231-H356 PolarHBondContact OH-CD2 2.56Å; Y231-H356 PolarHBondContact OH-CE1 3.36Å; Y231-H356 PolarHBondContact OH-NE2 2.99Å; Y231-H356 VanDerWaalsContact OH-NE2 3.15Å; N235-H356 CarbonylContact C-O 3.29Å; N235-H356 WeakPolarHBondContact CA-O 3.5Å; L236-H356 HydrophobicContact CB-CB 4.49Å; L236-H356 PolarHBondContact N-O 3.01Å; L236-H356 PolarHBondContact O-N 3.07Å; H356-F360 WeakPolarHBondContact O-CD2 3.4Å |
| 357 | G | 86.3 | Confident | 75.5 | Confident | 12 Ų | 12 | 56.1 Ų | 56.1 | 12% | 0.124 | 27% | 0.268 | C | S | . | . | S | Bend | trans | 123.1 | 179.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | V234 L359 F360 | V234-G357 WeakPolarHBondContact O-CA 3.17Å; G357-L359 PolarHBondContact O-N 2.84Å; G357-L359 VanDerWaalsContact O-N 3.07Å; G357-F360 PolarHBondContact O-N 3.24Å |
| 358 | P | 82.9 | Confident | 72.8 | Confident | 61 Ų | 61 | 58 Ų | 58 | 40% | 0.396 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 3.1 | -164 | 32 | -38.9 | 0 | 0 | 0 | 115.4 | R26 N235 | R26-P358 PolarHBondContact NH1-O 3.33Å; N235-P358 WeakPolarHBondContact OD1-CD 3.06Å |
| 359 | L | 76.7 | Confident | 70.1 | Confident | 57 Ų | 57 | 57.3 Ų | 57.3 | 30% | 0.298 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -10.3 | 167.7 | -66.7 | -177.9 | 0 | 0 | 0 | 113.7 | N235 G357 Y387 | N235-L359 VanDerWaalsContact ND2-CD1 3.3Å; N235-L359 WeakPolarHBondContact ND2-CD1 3.43Å; N235-L359 PolarHBondContact OD1-N 2.8Å; G357-L359 PolarHBondContact O-N 2.84Å; G357-L359 VanDerWaalsContact O-N 3.07Å; L359-Y387 HydrophobicContact CD1-CD2 4.21Å |
| 360 | F | 73.2 | Confident | 67.3 | Low | 30 Ų | 30 | 58.6 Ų | 58.6 | 13% | 0.132 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -108.2 | 118.9 | -174 | -56.5 | -66.9 | 0 | 0 | 0 | 111.1 | A62 N235 I237 A355 H356 G357 R362 I390 | A62-F360 HydrophobicContact CB-CB 4.26Å; N235-F360 HydrophobicContact CB-CE2 3.92Å; I237-F360 HydrophobicContact CD1-CZ 4.05Å; I237-F360 HydrophobicContact CG1-CE2 4.16Å; I237-F360 HydrophobicContact CG1-CZ 3.94Å; A355-F360 HydrophobicContact CB-CD1 3.76Å; A355-F360 HydrophobicContact CB-CD2 3.84Å; A355-F360 HydrophobicContact CB-CE1 3.78Å; A355-F360 HydrophobicContact CB-CE2 3.82Å; A355-F360 HydrophobicContact CB-CG 3.8Å; A355-F360 HydrophobicContact CB-CZ 3.8Å; H356-F360 WeakPolarHBondContact O-CD2 3.4Å; G357-F360 PolarHBondContact O-N 3.24Å; F360-R362 PolarHBondContact O-N 3.29Å; F360-I390 HydrophobicContact CD1-CD1 4.49Å; F360-I390 HydrophobicContact CE1-CD1 3.9Å |
| 361 | N | 58 | Low | 64.6 | Low | 127 Ų | 127 | 56.9 Ų | 56.9 | 68% | 0.679 | 28% | 0.281 | S | S | * | . | trans | -62.4 | 124.6 | 175.6 | -87 | -22 | 0 | 0 | 0 | 110.8 | H363 V364 | N361-H363 PolarHBondContact O-N 3.28Å; N361-V364 HydrophobicContact CB-CG2 3.56Å; N361-V364 PolarHBondContact O-N 3.01Å | ||
| 362 | R | 53.5 | Low | 62.1 | Low | 169 Ų | 169 | 57.5 Ų | 57.5 | 64% | 0.638 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 137.2 | 173.4 | -63 | -178.5 | 176 | 177.6 | -1.4 | 109.7 | F360 | F360-R362 PolarHBondContact O-N 3.29Š|
| 363 | H | 50.8 | Low | 59.4 | Low | 153 Ų | 153 | 58.1 Ų | 58.1 | 71% | 0.708 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 16.8 | 177 | -43.2 | 89.6 | 0 | 0 | 0 | 117.2 | N361 N365 | N361-H363 PolarHBondContact O-N 3.28Å; H363-N365 PolarHBondContact O-N 3Å |
| 364 | V | 48.8 | Very low | 56.7 | Low | 67 Ų | 67 | 60.6 Ų | 60.6 | 41% | 0.406 | 30% | 0.303 | S | S | . | . | trans | -77.7 | 107.1 | 168.8 | -178.9 | 0 | 0 | 0 | 0 | 110.2 | F63 N361 V366 | F63-V364 PolarHBondContact N-O 3.43Å; N361-V364 HydrophobicContact CB-CG2 3.56Å; N361-V364 PolarHBondContact O-N 3.01Å; V364-V366 HydrophobicContact CG1-CG2 4.37Å; V364-V366 WeakPolarHBondContact O-CG2 3.39Å; V364-V366 PolarHBondContact O-N 3.47Å | ||
| 365 | N | 47.2 | Very low | 53.9 | Low | 115 Ų | 115 | 61.5 Ų | 61.5 | 62% | 0.615 | 31% | 0.313 | S | S | * | . | B | Isolated β-bridge | trans | -67.9 | 108.2 | 164.5 | -101.5 | -19.4 | 0 | 0 | 0 | 109.3 | P65 H363 T367 | P65-N365 WeakPolarHBondContact CD-OD1 3.36Å; P65-N365 WeakPolarHBondContact CG-OD1 3.34Å; H363-N365 PolarHBondContact O-N 3Å; N365-T367 PolarHBondContact O-N 3Å |
| 366 | V | 51.9 | Low | 51.1 | Low | 19 Ų | 19 | 62.8 Ų | 62.8 | 12% | 0.115 | 32% | 0.322 | C | S | . | . | trans | -82.1 | 3.9 | -173 | -163.5 | 0 | 0 | 0 | 0 | 111.9 | A62 F63 A64 V364 K368 F370 | A62-V366 HydrophobicContact CB-CG2 4.06Å; F63-V366 PolarHBondContact O-N 2.81Å; A64-V366 HydrophobicContact CB-CB 4.47Å; V364-V366 HydrophobicContact CG1-CG2 4.37Å; V364-V366 WeakPolarHBondContact O-CG2 3.39Å; V364-V366 PolarHBondContact O-N 3.47Å; V366-K368 VanDerWaalsContact C-N 3.26Å; V366-K368 PolarHBondContact O-N 3.44Å; V366-F370 HydrophobicContact CG1-CD2 3.6Å; V366-F370 HydrophobicContact CG1-CE2 3.47Å; V366-F370 VanDerWaalsContact CG1-CE2 3.47Å; V366-F370 HydrophobicContact CG1-CG 4.39Å; V366-F370 HydrophobicContact CG1-CZ 4.17Å; V366-F370 WeakPolarHBondContact O-CD2 3.48Å | ||
| 367 | T | 38.4 | Very low | 48.4 | Very low | 44 Ų | 44 | 64.5 Ų | 64.5 | 27% | 0.27 | 33% | 0.334 | S | S | . | . | trans | -72.3 | 6.6 | -165.5 | 20 | 0 | 0 | 0 | 0 | 118.5 | A64 P65 D66 N365 | A64-T367 HydrophobicContact CB-CG2 4.46Å; P65-T367 HydrophobicContact CB-CG2 4.48Å; P65-T367 VanDerWaalsContact CD-CG2 3.47Å; P65-T367 HydrophobicContact CG-CG2 3.69Å; D66-T367 HydrophobicContact CB-CG2 3.63Å; D66-T367 WeakPolarHBondContact OD2-CG2 3.3Å; N365-T367 PolarHBondContact O-N 3Å | ||
| 368 | K | 33 | Very low | 45.8 | Very low | 178 Ų | 178 | 68 Ų | 68 | 77% | 0.774 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -114.3 | 99.3 | 173.5 | -71.6 | -177.7 | 177.3 | 179.1 | 0 | 110.5 | V366 | V366-K368 VanDerWaalsContact C-N 3.26Å; V366-K368 PolarHBondContact O-N 3.44Å |
| 369 | K | 35.5 | Very low | 43.2 | Very low | 83 Ų | 83 | 66.5 Ų | 66.5 | 36% | 0.361 | 34% | 0.338 | S | S | . | . | S | Bend | trans | 89.2 | 59.8 | 166.7 | -49.3 | 164.3 | -174.8 | 162.2 | 0 | 118.4 | Y393 D394 K395 | K369-Y393 WeakPolarHBondContact CD-O 3.12Å; K369-Y393 WeakPolarHBondContact CE-O 3.39Å; K369-Y393 PolarHBondContact NZ-O 3.14Å; K369-D394 IonicContact NZ-OD1 2.67Å; K369-D394 PolarHBondContact NZ-OD1 2.9Å; K369-K395 WeakPolarHBondContact CE-O 2.98Å; K369-K395 PolarHBondContact NZ-O 3.26Å |
| 370 | F | 34.8 | Very low | 41.2 | Very low | 30 Ų | 30 | 66.1 Ų | 66.1 | 13% | 0.132 | 34% | 0.335 | C | S | . | . | trans | -139.5 | 110.5 | 169.1 | -60.8 | -85.7 | 0 | 0 | 0 | 113.9 | I68 K69 V366 I390 Q391 K392 | I68-F370 HydrophobicContact CG2-CB 4.41Å; K69-F370 PolarHBondContact N-O 3.22Å; V366-F370 HydrophobicContact CG1-CD2 3.6Å; V366-F370 HydrophobicContact CG1-CE2 3.47Å; V366-F370 VanDerWaalsContact CG1-CE2 3.47Å; V366-F370 HydrophobicContact CG1-CG 4.39Å; V366-F370 HydrophobicContact CG1-CZ 4.17Å; V366-F370 WeakPolarHBondContact O-CD2 3.48Å; F370-I390 HydrophobicContact CD1-CG2 4.03Å; F370-I390 HydrophobicContact CE1-CG2 3.44Å; F370-I390 VanDerWaalsContact CE1-CG2 3.44Å; F370-I390 HydrophobicContact CZ-CG2 3.85Å; F370-Q391 WeakPolarHBondContact CE1-O 3.11Å; F370-K392 HydrophobicContact CZ-CB 4.45Å | ||
| 371 | A | 35.9 | Very low | 39.3 | Very low | 7 Ų | 7 | 71.5 Ų | 71.5 | 6% | 0.058 | 36% | 0.355 | C | S | . | . | B | Isolated β-bridge | trans | -81.7 | 169.9 | 146.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | K69 S373 D374 G375 | K69-A371 HydrophobicContact CB-CB 3.95Å; K69-A371 HydrophobicContact CD-CB 4.48Å; K69-A371 CarbonylContact O-C 3.55Å; K69-A371 WeakPolarHBondContact O-CA 3.5Å; A371-S373 PolarHBondContact O-N 2.84Å; A371-D374 HydrophobicContact CB-CB 4.28Å; A371-D374 VanDerWaalsContact CB-OD2 3.24Å; A371-D374 WeakPolarHBondContact CB-OD2 2.91Å; A371-D374 PolarHBondContact N-OD2 2.9Å; A371-D374 PolarHBondContact O-N 3.07Å; A371-G375 PolarHBondContact O-N 3.29Å |
| 372 | T | 38.5 | Very low | 38 | Very low | 14 Ų | 14 | 70.4 Ų | 70.4 | 9% | 0.086 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -16 | 173.8 | 41.4 | 0 | 0 | 0 | 0 | 113.4 | I68 K69 S70 N71 | I68-T372 HydrophobicContact CD1-CG2 3.76Å; I68-T372 HydrophobicContact CG1-CG2 4.29Å; K69-T372 PolarHBondContact O-N 2.91Å; K69-T372 PolarHBondContact O-OG1 2.89Å; S70-T372 VanDerWaalsContact C-OG1 3.22Å; S70-T372 VanDerWaalsContact CA-OG1 3.3Å; S70-T372 WeakPolarHBondContact CA-OG1 3.48Å; N71-T372 PolarHBondContact N-OG1 2.75Å; N71-T372 PolarHBondContact OD1-OG1 2.99Å |
| 373 | S | 37.6 | Very low | 36.9 | Very low | 13 Ų | 13 | 66.4 Ų | 66.4 | 9% | 0.091 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -40.6 | 169.3 | 54.9 | 0 | 0 | 0 | 0 | 113.5 | N71 Y88 A371 G375 S376 | N71-S373 PolarHBondContact OD1-N 2.95Å; Y88-S373 WeakPolarHBondContact CE1-OG 3.3Å; Y88-S373 VanDerWaalsContact CZ-OG 3.28Å; Y88-S373 WeakPolarHBondContact OH-CB 3.44Å; Y88-S373 PolarHBondContact OH-OG 3.06Å; A371-S373 PolarHBondContact O-N 2.84Å; S373-G375 VanDerWaalsContact C-N 3.29Å; S373-S376 PolarHBondContact O-N 2.91Å; S373-S376 VanDerWaalsContact O-N 3.12Å |
| 374 | D | 36.8 | Very low | 35.8 | Very low | 79 Ų | 79 | 61.4 Ų | 61.4 | 42% | 0.422 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -33.1 | 177.7 | -52.5 | -30.1 | 0 | 0 | 0 | 110.8 | A371 S376 | A371-D374 HydrophobicContact CB-CB 4.28Å; A371-D374 VanDerWaalsContact CB-OD2 3.24Å; A371-D374 WeakPolarHBondContact CB-OD2 2.91Å; A371-D374 PolarHBondContact N-OD2 2.9Å; A371-D374 PolarHBondContact O-N 3.07Å; D374-S376 PolarHBondContact O-N 3.01Å |
| 375 | G | 32.6 | Very low | 34.8 | Very low | 21 Ų | 21 | 59.4 Ų | 59.4 | 22% | 0.216 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -72.6 | 59.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 110 | A371 S373 V377 | A371-G375 PolarHBondContact O-N 3.29Å; S373-G375 VanDerWaalsContact C-N 3.29Å; G375-V377 PolarHBondContact O-N 2.77Å |
| 376 | S | 30.7 | Very low | 33.9 | Very low | 26 Ų | 26 | 54.2 Ų | 54.2 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | trans | -58.3 | 107.6 | 166.5 | 66.2 | 0 | 0 | 0 | 0 | 106.6 | S373 D374 K378 | S373-S376 PolarHBondContact O-N 2.91Å; S373-S376 VanDerWaalsContact O-N 3.12Å; D374-S376 PolarHBondContact O-N 3.01Å; S376-K378 PolarHBondContact O-N 3.22Å | ||
| 377 | V | 32.4 | Very low | 33 | Very low | 50 Ų | 50 | 56.7 Ų | 56.7 | 30% | 0.303 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 85.5 | 157.2 | 172.7 | 0 | 0 | 0 | 0 | 105.6 | G375 A379 F388 | G375-V377 PolarHBondContact O-N 2.77Å; V377-A379 PolarHBondContact O-N 3Å; V377-F388 HydrophobicContact CB-CD1 4.23Å; V377-F388 HydrophobicContact CB-CE1 4.44Å; V377-F388 HydrophobicContact CG1-CB 4.44Å; V377-F388 HydrophobicContact CG1-CD1 3.23Å; V377-F388 HydrophobicContact CG1-CE1 3.39Å; V377-F388 HydrophobicContact CG1-CG 3.86Å; V377-F388 HydrophobicContact CG1-CZ 4.12Å; V377-F388 HydrophobicContact CG2-CD1 3.9Å; V377-F388 HydrophobicContact CG2-CE1 4.22Å |
| 378 | K | 31.7 | Very low | 32.8 | Very low | 86 Ų | 86 | 55.3 Ų | 55.3 | 37% | 0.374 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 117.2 | 161.7 | -74.7 | 177.9 | -175.9 | 169.5 | 0 | 105.3 | S376 E380 S389 | S376-K378 PolarHBondContact O-N 3.22Å; K378-E380 HydrophobicContact CB-CG 3.79Å; K378-E380 PolarHBondContact O-N 3.19Å; K378-S389 PolarHBondContact O-N 2.52Å; K378-S389 VanDerWaalsContact O-N 3.12Å |
| 379 | A | 30.1 | Very low | 32.7 | Very low | 29 Ų | 29 | 47.7 Ų | 47.7 | 24% | 0.24 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 77.3 | 147.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | V377 P386 Y387 | V377-A379 PolarHBondContact O-N 3Å; A379-P386 HydrophobicContact CB-CB 3.5Å; A379-Y387 WeakPolarHBondContact CA-O 3.22Å |
| 380 | E | 34.4 | Very low | 32.4 | Very low | 49 Ų | 49 | 46.6 Ų | 46.6 | 23% | 0.229 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 150.9 | 168.2 | -72.6 | -176.5 | 165.1 | 0 | 0 | 108.2 | K378 P386 Y387 S389 Q391 | K378-E380 HydrophobicContact CB-CG 3.79Å; K378-E380 PolarHBondContact O-N 3.19Å; E380-P386 CarbonylContact O-C 3.5Å; E380-P386 WeakPolarHBondContact O-CA 3.26Å; E380-Y387 VanDerWaalsContact C-CD1 3.48Å; E380-Y387 VanDerWaalsContact C-CE1 3.48Å; E380-Y387 HydrophobicContact CB-CD1 4.12Å; E380-Y387 HydrophobicContact CB-CE1 3.47Å; E380-Y387 VanDerWaalsContact CB-CE1 3.47Å; E380-Y387 HydrophobicContact CB-CE2 4.11Å; E380-Y387 VanDerWaalsContact CB-CZ 3.49Å; E380-Y387 PolarHBondContact N-O 3.09Å; E380-Y387 VanDerWaalsContact N-O 3.14Å; E380-Y387 WeakPolarHBondContact O-CD1 3.05Å; E380-Y387 WeakPolarHBondContact O-CE1 3.4Å; E380-Y387 PolarHBondContact O-N 3.47Å; E380-Y387 PolarHBondContact OE2-OH 2.98Å; E380-S389 VanDerWaalsContact CD-CB 3.45Å; E380-S389 VanDerWaalsContact CD-OG 3.23Å; E380-S389 WeakPolarHBondContact OE2-CB 3.33Å; E380-S389 PolarHBondContact OE2-OG 2.91Å; E380-Q391 PolarHBondContact OE1-NE2 2.65Å |
| 381 | Y | 32.3 | Very low | 32.1 | Very low | 143 Ų | 143 | 47.9 Ų | 47.9 | 56% | 0.561 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 107.4 | -172 | -68.7 | -92.9 | 0 | 0 | 0 | 110 | T133 | T133-Y381 HydrophobicContact CG2-CE1 4.28Å |
| 382 | E | 31.2 | Very low | 31.7 | Very low | 104 Ų | 104 | 54.9 Ų | 54.9 | 49% | 0.486 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 123 | 164.1 | -154.7 | 172.4 | -145.9 | 0 | 0 | 106.5 | G384 V385 Y387 | E382-G384 PolarHBondContact O-N 3.35Å; E382-G384 VanDerWaalsContact O-N 3.12Å; E382-V385 PolarHBondContact N-O 2.82Å; E382-V385 PolarHBondContact O-N 2.7Å; E382-V385 VanDerWaalsContact O-N 3.1Å; E382-Y387 HydrophobicContact CB-CD1 3.61Å; E382-Y387 HydrophobicContact CB-CE1 3.69Å |
| 383 | C | 31 | Very low | 31.1 | Very low | 84 Ų | 84 | 62 Ų | 62 | 57% | 0.568 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 29.8 | -175 | -56 | 0 | 0 | 0 | 0 | 115.6 | C23 V385 | C23-C383 HydrophobicContact CB-CB 3.55Å; C23-C383 WeakPolarHBondContact CB-SG 3Å; C23-C383 WeakPolarHBondContact SG-CB 3.35Å; C23-C383 CovalentContact SG-SG 2.02Å; C23-C383 PolarHBondContact SG-SG 2.88Å; C383-V385 VanDerWaalsContact C-N 3.32Å; C383-V385 PolarHBondContact O-N 2.84Å |
| 384 | G | 27.3 | Very low | 30.6 | Very low | 48 Ų | 48 | 67.3 Ų | 67.3 | 50% | 0.495 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 7.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | E382 | E382-G384 PolarHBondContact O-N 3.35Å; E382-G384 VanDerWaalsContact O-N 3.12Å |
| 385 | V | 27.4 | Very low | 30.1 | Very low | 26 Ų | 26 | 71.6 Ų | 71.6 | 16% | 0.158 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 134.8 | 175.2 | -176.5 | 0 | 0 | 0 | 0 | 110.5 | P25 Y130 T134 E382 C383 Y387 | P25-V385 HydrophobicContact CB-CB 4.15Å; P25-V385 HydrophobicContact CB-CG1 3.74Å; P25-V385 HydrophobicContact CB-CG2 4.07Å; Y130-V385 HydrophobicContact CE2-CG1 4.07Å; T134-V385 HydrophobicContact CG2-CB 4.43Å; T134-V385 HydrophobicContact CG2-CG1 3.5Å; T134-V385 VanDerWaalsContact CG2-CG1 3.5Å; T134-V385 HydrophobicContact CG2-CG2 4.1Å; E382-V385 PolarHBondContact N-O 2.82Å; E382-V385 PolarHBondContact O-N 2.7Å; E382-V385 VanDerWaalsContact O-N 3.1Å; C383-V385 VanDerWaalsContact C-N 3.32Å; C383-V385 PolarHBondContact O-N 2.84Å; V385-Y387 PolarHBondContact O-N 3.18Å |
| 386 | P | 28 | Very low | 29.7 | Very low | 6 Ų | 6 | 76 Ų | 76 | 4% | 0.039 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 120.7 | 176.7 | 25.7 | -37.5 | 0 | 0 | 0 | 113 | Y130 T133 A379 E380 | Y130-P386 HydrophobicContact CD2-CG 3.8Å; Y130-P386 HydrophobicContact CE2-CG 4.38Å; Y130-P386 WeakPolarHBondContact CE2-O 3.49Å; Y130-P386 HydrophobicContact CG-CG 4.35Å; T133-P386 WeakPolarHBondContact OG1-CD 3.35Å; T133-P386 WeakPolarHBondContact OG1-CG 3.18Å; A379-P386 HydrophobicContact CB-CB 3.5Å; E380-P386 CarbonylContact O-C 3.5Å; E380-P386 WeakPolarHBondContact O-CA 3.26Å |
| 387 | Y | 34.1 | Very low | 29.5 | Very low | 70 Ų | 70 | 85.8 Ų | 85.8 | 28% | 0.275 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 159.2 | 167.9 | 75.2 | -89.3 | 0 | 0 | 0 | 111.4 | L359 A379 E380 E382 V385 S389 | L359-Y387 HydrophobicContact CD1-CD2 4.21Å; A379-Y387 WeakPolarHBondContact CA-O 3.22Å; E380-Y387 VanDerWaalsContact C-CD1 3.48Å; E380-Y387 VanDerWaalsContact C-CE1 3.48Å; E380-Y387 HydrophobicContact CB-CD1 4.12Å; E380-Y387 HydrophobicContact CB-CE1 3.47Å; E380-Y387 VanDerWaalsContact CB-CE1 3.47Å; E380-Y387 HydrophobicContact CB-CE2 4.11Å; E380-Y387 VanDerWaalsContact CB-CZ 3.49Å; E380-Y387 PolarHBondContact N-O 3.09Å; E380-Y387 VanDerWaalsContact N-O 3.14Å; E380-Y387 WeakPolarHBondContact O-CD1 3.05Å; E380-Y387 WeakPolarHBondContact O-CE1 3.4Å; E380-Y387 PolarHBondContact O-N 3.47Å; E380-Y387 PolarHBondContact OE2-OH 2.98Å; E382-Y387 HydrophobicContact CB-CD1 3.61Å; E382-Y387 HydrophobicContact CB-CE1 3.69Å; V385-Y387 PolarHBondContact O-N 3.18Å; Y387-S389 PolarHBondContact O-N 3.31Å |
| 388 | F | 33.3 | Very low | 29.2 | Very low | 16 Ų | 16 | 89.8 Ų | 89.8 | 7% | 0.07 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 104.4 | -178.4 | -75.2 | -117.5 | 0 | 0 | 0 | 109.9 | T28 L30 V126 F185 I237 V377 | T28-F388 HydrophobicContact CG2-CD2 4.02Å; T28-F388 HydrophobicContact CG2-CE2 4.24Å; T28-F388 HydrophobicContact CG2-CG 4.47Å; L30-F388 HydrophobicContact CD2-CE1 4.39Å; V126-F388 HydrophobicContact CG1-CZ 4.25Å; V126-F388 HydrophobicContact CG2-CE2 4.19Å; V126-F388 HydrophobicContact CG2-CZ 3.8Å; F185-F388 AromaticContact CD2-CE2 3.98Å; F185-F388 HydrophobicContact CD2-CE2 3.98Å; F185-F388 HydrophobicContact CD2-CZ 4.24Å; F185-F388 HydrophobicContact CE1-CZ 4.47Å; F185-F388 HydrophobicContact CE2-CE1 4.36Å; F185-F388 AromaticContact CE2-CE2 3.5Å; F185-F388 HydrophobicContact CE2-CE2 3.5Å; F185-F388 AromaticContact CE2-CZ 3.32Å; F185-F388 HydrophobicContact CE2-CZ 3.32Å; F185-F388 AromaticContact CZ-CE2 3.99Å; F185-F388 HydrophobicContact CZ-CE2 3.99Å; F185-F388 AromaticContact CZ-CZ 3.47Å; F185-F388 HydrophobicContact CZ-CZ 3.47Å; F185-F388 VanDerWaalsContact CZ-CZ 3.47Å; I237-F388 HydrophobicContact CD1-CB 4.3Å; I237-F388 HydrophobicContact CD1-CD1 3.96Å; I237-F388 HydrophobicContact CD1-CG 4.3Å; V377-F388 HydrophobicContact CB-CD1 4.23Å; V377-F388 HydrophobicContact CB-CE1 4.44Å; V377-F388 HydrophobicContact CG1-CB 4.44Å; V377-F388 HydrophobicContact CG1-CD1 3.23Å; V377-F388 HydrophobicContact CG1-CE1 3.39Å; V377-F388 HydrophobicContact CG1-CG 3.86Å; V377-F388 HydrophobicContact CG1-CZ 4.12Å; V377-F388 HydrophobicContact CG2-CD1 3.9Å; V377-F388 HydrophobicContact CG2-CE1 4.22Å |
| 389 | S | 30.3 | Very low | 28.9 | Very low | 18 Ų | 18 | 96.2 Ų | 96.2 | 13% | 0.126 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 138.1 | 174.5 | 175.7 | 0 | 0 | 0 | 0 | 111.5 | K378 E380 Y387 | K378-S389 PolarHBondContact O-N 2.52Å; K378-S389 VanDerWaalsContact O-N 3.12Å; E380-S389 VanDerWaalsContact CD-CB 3.45Å; E380-S389 VanDerWaalsContact CD-OG 3.23Å; E380-S389 WeakPolarHBondContact OE2-CB 3.33Å; E380-S389 PolarHBondContact OE2-OG 2.91Å; Y387-S389 PolarHBondContact O-N 3.31Å |
| 390 | I | 30.7 | Very low | 29 | Very low | 59 Ų | 59 | 102.1 Ų | 102.1 | 30% | 0.303 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 90.1 | 176 | -55.2 | 170.8 | 0 | 0 | 0 | 107.6 | F353 F360 F370 K392 | F353-I390 HydrophobicContact CE1-CD1 3.88Å; F353-I390 HydrophobicContact CZ-CD1 3.56Å; F360-I390 HydrophobicContact CD1-CD1 4.49Å; F360-I390 HydrophobicContact CE1-CD1 3.9Å; F370-I390 HydrophobicContact CD1-CG2 4.03Å; F370-I390 HydrophobicContact CE1-CG2 3.44Å; F370-I390 VanDerWaalsContact CE1-CG2 3.44Å; F370-I390 HydrophobicContact CZ-CG2 3.85Å; I390-K392 PolarHBondContact O-N 3.33Å |
| 391 | Q | 27.2 | Very low | 28.8 | Very low | 57 Ų | 57 | 103.6 Ų | 103.6 | 27% | 0.266 | 51% | 0.513 | S | S | . | . | trans | -71.9 | 118.2 | -175.6 | -71 | -164.9 | -24.4 | 0 | 0 | 112.3 | F370 E380 Y393 | F370-Q391 WeakPolarHBondContact CE1-O 3.11Å; E380-Q391 PolarHBondContact OE1-NE2 2.65Å; Q391-Y393 PolarHBondContact O-N 3.41Å | ||
| 392 | K | 26.9 | Very low | 28.8 | Very low | 154 Ų | 154 | 103.2 Ų | 103.2 | 67% | 0.67 | 53% | 0.525 | S | S | * | . | trans | -79.2 | 109.6 | 173.7 | -169.6 | -172.9 | -177.1 | -168.4 | 0 | 110.1 | F370 I390 | F370-K392 HydrophobicContact CZ-CB 4.45Å; I390-K392 PolarHBondContact O-N 3.33Å | ||
| 393 | Y | 26.2 | Very low | 29 | Very low | 165 Ų | 165 | 103.1 Ų | 103.1 | 65% | 0.647 | 53% | 0.534 | S | S | * | . | trans | -93.1 | 115.6 | -175.2 | -119.7 | -86 | 0 | 0 | 0 | 113.9 | K369 Q391 K395 | K369-Y393 WeakPolarHBondContact CD-O 3.12Å; K369-Y393 WeakPolarHBondContact CE-O 3.39Å; K369-Y393 PolarHBondContact NZ-O 3.14Å; Q391-Y393 PolarHBondContact O-N 3.41Å; Y393-K395 PolarHBondContact O-N 3.12Å; Y393-K395 VanDerWaalsContact O-N 3.17Å | ||
| 394 | D | 27 | Very low | 28.9 | Very low | 124 Ų | 124 | 105.2 Ų | 105.2 | 66% | 0.663 | 54% | 0.544 | S | S | * | . | trans | -90 | 68.7 | -176.4 | -79.7 | -37.6 | 0 | 0 | 0 | 115.5 | K369 | K369-D394 IonicContact NZ-OD1 2.67Å; K369-D394 PolarHBondContact NZ-OD1 2.9Å | ||
| 395 | K | 26.1 | Very low | 28.9 | Very low | 169 Ų | 169 | 108.7 Ų | 108.7 | 74% | 0.735 | 56% | 0.558 | S | S | * | * | trans | -133.7 | 129.4 | 153.2 | -70.2 | -167.4 | 175.8 | -176 | 0 | 112 | K369 Y393 | K369-K395 WeakPolarHBondContact CE-O 2.98Å; K369-K395 PolarHBondContact NZ-O 3.26Å; Y393-K395 PolarHBondContact O-N 3.12Å; Y393-K395 VanDerWaalsContact O-N 3.17Å | ||
| 396 | P | 25.1 | Very low | 29.3 | Very low | 113 Ų | 113 | 114.4 Ų | 114.4 | 73% | 0.734 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 133.5 | 171.5 | 31.9 | -31.4 | 0 | 0 | 0 | 109.8 | ||
| 397 | Y | 26.4 | Very low | 29.3 | Very low | 232 Ų | 232 | 120.4 Ų | 120.4 | 91% | 0.91 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 118.9 | 161 | -114.7 | -87.2 | 0 | 0 | 0 | 107.6 | ||
| 398 | T | 25.6 | Very low | 29.2 | Very low | 134 Ų | 134 | 128.9 Ų | 128.9 | 82% | 0.822 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 130 | 173.3 | 37.9 | 0 | 0 | 0 | 0 | 109.4 | ||
| 399 | Y | 27.1 | Very low | 28.9 | Very low | 220 Ų | 220 | 139.4 Ų | 139.4 | 86% | 0.863 | 70% | 0.701 | S | S | * | * | trans | -97.4 | 107.3 | 171.6 | -152.5 | -83.3 | 0 | 0 | 0 | 106.8 | ||||
| 400 | D | 30.4 | Very low | 29 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | trans | -72.6 | 145.6 | 175.9 | -157.6 | -3.6 | 0 | 0 | 0 | 110.2 | ||||
| 401 | S | 31.9 | Very low | 29 | Very low | 80 Ų | 80 | 146.6 Ų | 146.6 | 56% | 0.559 | 75% | 0.749 | S | S | * | * | trans | -131.4 | 109.2 | -151.7 | 58.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 402 | T | 31.9 | Very low | 29.1 | Very low | 135 Ų | 135 | 150.5 Ų | 150.5 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | trans | 60.8 | -172.7 | 151 | 65.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 403 | P | 34.8 | Very low | 29.3 | Very low | 103 Ų | 103 | 146.5 Ų | 146.5 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | cis | -119.6 | 172.1 | -27.2 | 17.9 | 6.4 | 0 | 0 | 0 | 111.3 | ||||
| 404 | T | 28.3 | Very low | 29.5 | Very low | 128 Ų | 128 | 145.8 Ų | 145.8 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | 179 | 143.6 | 80.7 | 28.6 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 405 | P | 28.8 | Very low | 29.6 | Very low | 121 Ų | 121 | 149.9 Ų | 149.9 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | -104.9 | 128.2 | 165.6 | 34.9 | -25.9 | 0 | 0 | 0 | 111.5 | ||||
| 406 | T | 34.2 | Very low | 29.7 | Very low | 146 Ų | 146 | 147.8 Ų | 147.8 | 90% | 0.896 | 79% | 0.791 | S | S | * | * | trans | -96.1 | 140.9 | 171.1 | 34.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 407 | T | 28.7 | Very low | 29.9 | Very low | 132 Ų | 132 | 152.5 Ų | 152.5 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -94.4 | 153.1 | -170.7 | 44.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 408 | R | 31.7 | Very low | 29.9 | Very low | 248 Ų | 248 | 145.8 Ų | 145.8 | 94% | 0.936 | 78% | 0.781 | S | S | * | * | trans | -165.9 | 126.7 | 140.2 | -105.1 | 165.1 | -157.8 | -141.4 | 4.6 | 111.1 | ||||
| 409 | R | 28.2 | Very low | 30.2 | Very low | 237 Ų | 237 | 142.7 Ų | 142.7 | 89% | 0.894 | 77% | 0.765 | S | S | * | * | trans | -93.2 | 154.9 | 162.9 | -98.4 | -177.5 | 174.4 | -179.4 | -2.1 | 108.7 | ||||
| 410 | P | 31.7 | Very low | 30.2 | Very low | 117 Ų | 117 | 141.8 Ų | 141.8 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | -124.2 | 121.8 | 122.6 | -1.5 | 22.6 | 0 | 0 | 0 | 113.3 | |||||
| 411 | T | 31.3 | Very low | 30.2 | Very low | 110 Ų | 110 | 139.9 Ų | 139.9 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | 34.6 | 117.5 | 118.4 | 56.8 | 0 | 0 | 0 | 0 | 122 | |||||
| 412 | T | 29.6 | Very low | 29.9 | Very low | 139 Ų | 139 | 142.8 Ų | 142.8 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | trans | 47.8 | 122.6 | 131.5 | 58.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 413 | G | 31.2 | Very low | 29.7 | Very low | 70 Ų | 70 | 141 Ų | 141 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | -166.6 | 103.4 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 414 | D | 28.9 | Very low | 29.3 | Very low | 151 Ų | 151 | 142 Ų | 142 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | trans | -71.8 | 136.4 | 178.2 | -59.9 | -68.7 | 0 | 0 | 0 | 111.6 | ||||
| 415 | Y | 29.6 | Very low | 29.2 | Very low | 210 Ų | 210 | 143.6 Ų | 143.6 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | -144.9 | 104.9 | 158.4 | -83.2 | -72.4 | 0 | 0 | 0 | 111 | ||||
| 416 | D | 28.8 | Very low | 29.3 | Very low | 125 Ų | 125 | 145.7 Ų | 145.7 | 67% | 0.668 | 78% | 0.782 | S | S | * | * | trans | -68.9 | 138.7 | 163.5 | 175.3 | 11.5 | 0 | 0 | 0 | 110.1 | S418 | D416-S418 WeakPolarHBondContact OD1-CB 2.99Å; D416-S418 PolarHBondContact OD1-N 3.02Å; D416-S418 PolarHBondContact OD1-OG 2.88Å; D416-S418 PolarHBondContact OD2-OG 3.25Å | ||
| 417 | W | 28.7 | Very low | 28.7 | Very low | 212 Ų | 212 | 149.8 Ų | 149.8 | 80% | 0.803 | 78% | 0.783 | S | S | * | * | trans | -141.2 | 61.3 | 168.1 | -82.7 | 104 | 0 | 0 | 0 | 110.9 | S419 | W417-S419 PolarHBondContact O-N 3.1Š| ||
| 418 | S | 26.4 | Very low | 28.9 | Very low | 90 Ų | 90 | 149.4 Ų | 149.4 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | trans | -86.4 | 79.6 | 169.6 | 50.1 | 0 | 0 | 0 | 0 | 112 | D416 | D416-S418 WeakPolarHBondContact OD1-CB 2.99Å; D416-S418 PolarHBondContact OD1-N 3.02Å; D416-S418 PolarHBondContact OD1-OG 2.88Å; D416-S418 PolarHBondContact OD2-OG 3.25Å | ||
| 419 | S | 31.9 | Very low | 28.9 | Very low | 70 Ų | 70 | 143.1 Ų | 143.1 | 49% | 0.49 | 78% | 0.777 | S | S | . | * | trans | -163.5 | 101.9 | 172.9 | 34.3 | 0 | 0 | 0 | 0 | 116.9 | W417 | W417-S419 PolarHBondContact O-N 3.1Š| ||
| 420 | F | 26.7 | Very low | 28.9 | Very low | 200 Ų | 200 | 140.3 Ų | 140.3 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | trans | 61.5 | 163.2 | 142.9 | -56.7 | -68.3 | 0 | 0 | 0 | 121.5 | ||||
| 421 | P | 31 | Very low | 28.7 | Very low | 113 Ų | 113 | 140.4 Ų | 140.4 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | cis | -125.3 | 164.1 | -23 | 25.2 | -4.4 | 0 | 0 | 0 | 114.4 | ||||
| 422 | T | 25.9 | Very low | 28.4 | Very low | 141 Ų | 141 | 139.1 Ų | 139.1 | 87% | 0.865 | 77% | 0.77 | S | S | * | * | trans | -60.2 | 136.9 | 162.4 | 25.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 423 | A | 27.9 | Very low | 28.2 | Very low | 99 Ų | 99 | 143.3 Ų | 143.3 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -123.4 | 106.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 424 | T | 26.1 | Very low | 28 | Very low | 123 Ų | 123 | 145 Ų | 145 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -86.4 | 127.6 | 176.6 | -46.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 425 | L | 26.7 | Very low | 27.7 | Very low | 162 Ų | 162 | 145.7 Ų | 145.7 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | trans | -144.5 | 94.5 | 168.3 | -103.4 | 133.8 | 0 | 0 | 0 | 112 | ||||
| 426 | H | 29.3 | Very low | 27.7 | Very low | 165 Ų | 165 | 142.4 Ų | 142.4 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | trans | 29.1 | 115.4 | 132.6 | -70.9 | 9.7 | 0 | 0 | 0 | 120.2 | ||||
| 427 | Y | 23.2 | Very low | 27.5 | Very low | 232 Ų | 232 | 141.5 Ų | 141.5 | 91% | 0.91 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 132 | 159.2 | -82.3 | -97.6 | 0 | 0 | 0 | 111.6 | ||
| 428 | P | 31.7 | Very low | 27.4 | Very low | 123 Ų | 123 | 135.1 Ų | 135.1 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 147.6 | 156.3 | -10.6 | 28.8 | 0 | 0 | 0 | 111.8 | ||
| 429 | S | 31.3 | Very low | 27.5 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 158.5 | -177.2 | 49.4 | 0 | 0 | 0 | 0 | 116.4 | ||
| 430 | Q | 28.2 | Very low | 27.3 | Very low | 178 Ų | 178 | 139.1 Ų | 139.1 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 170.6 | 167 | -60.9 | -158.8 | -12.7 | 0 | 0 | 113.2 | ||
| 431 | P | 28.3 | Very low | 27.5 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | -135.3 | 163.2 | 114 | 18.5 | 2 | 0 | 0 | 0 | 116.3 | |||||
| 432 | S | 25.8 | Very low | 27.3 | Very low | 82 Ų | 82 | 129.5 Ų | 129.5 | 57% | 0.573 | 71% | 0.71 | S | S | * | * | trans | -59.1 | 173.8 | 175.5 | 51 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 433 | W | 24.6 | Very low | 27.3 | Very low | 228 Ų | 228 | 124.4 Ų | 124.4 | 86% | 0.864 | 68% | 0.675 | S | S | * | * | trans | 157.4 | 96.3 | 136.7 | -74.7 | 122.1 | 0 | 0 | 0 | 108.2 | ||||
| 434 | S | 27.4 | Very low | 27.2 | Very low | 105 Ų | 105 | 123.2 Ų | 123.2 | 73% | 0.734 | 65% | 0.651 | S | S | * | * | 93.9 | 136.9 | 89.9 | 64.1 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 435 | F | 23.1 | Very low | 27.2 | Very low | 165 Ų | 165 | 117.9 Ų | 117.9 | 72% | 0.724 | 62% | 0.619 | S | S | * | * | trans | -72.4 | 149 | -174 | -84.5 | -117.4 | 0 | 0 | 0 | 114.1 | ||||
| 436 | D | 27.6 | Very low | 27.2 | Very low | 141 Ų | 141 | 111 Ų | 111 | 75% | 0.754 | 58% | 0.582 | S | S | * | * | trans | -136 | 144.7 | 141 | -172.5 | 7.5 | 0 | 0 | 0 | 108.9 | ||||
| 437 | S | 25.5 | Very low | 27.1 | Very low | 107 Ų | 107 | 103.4 Ų | 103.4 | 75% | 0.748 | 55% | 0.548 | S | S | * | . | trans | -132.2 | 73.1 | -172.2 | 62.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 438 | S | 26.2 | Very low | 27.4 | Very low | 78 Ų | 78 | 96.6 Ų | 96.6 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | trans | -159.6 | 153.3 | 163.6 | 59.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 439 | N | 29 | Very low | 28 | Very low | 123 Ų | 123 | 92.9 Ų | 92.9 | 66% | 0.658 | 49% | 0.491 | S | S | * | . | trans | 95.9 | 82.5 | 170.5 | -48.7 | -50.1 | 0 | 0 | 0 | 118.7 | ||||
| 440 | Y | 27 | Very low | 28.8 | Very low | 121 Ų | 121 | 87.3 Ų | 87.3 | 48% | 0.475 | 45% | 0.452 | S | S | . | . | trans | -53.4 | 172.5 | 146.3 | -56.6 | -99.9 | 0 | 0 | 0 | 112.9 | G655 Y657 | Y440-G655 PolarHBondContact OH-O 3.06Å; Y440-Y657 HydrophobicContact CE1-CE2 4.02Å; Y440-Y657 WeakPolarHBondContact CE1-OH 3.02Å | ||
| 441 | P | 30.9 | Very low | 29.6 | Very low | 54 Ų | 54 | 79.7 Ų | 79.7 | 35% | 0.351 | 42% | 0.418 | S | S | . | . | cis | -142.5 | -171.3 | -35 | 37.4 | -17.5 | 0 | 0 | 0 | 115.5 | I879 Y917 | P441-I879 HydrophobicContact CG-CD1 4.27Å; P441-Y917 PolarHBondContact O-OH 2.85Å | ||
| 442 | L | 26.6 | Very low | 30.8 | Very low | 56 Ų | 56 | 74.6 Ų | 74.6 | 29% | 0.293 | 39% | 0.387 | S | S | . | . | trans | 68.7 | 179.7 | 164 | -53.7 | 167.9 | 0 | 0 | 0 | 116.5 | H808 | L442-H808 PolarHBondContact O-CD2 3.01Å; L442-H808 PolarHBondContact O-NE2 3.17Å | ||
| 443 | W | 26.4 | Very low | 32.4 | Very low | 35 Ų | 35 | 70.7 Ų | 70.7 | 13% | 0.133 | 36% | 0.36 | C | S | . | . | cis | -147 | 103.9 | 3.2 | -68.1 | 90.5 | 0 | 0 | 0 | 115.5 | P807 H808 N875 Y877 E878 I879 | W443-P807 WeakPolarHBondContact O-CB 3.44Å; W443-H808 AromaticContact CD1-NE2 3.95Å; W443-H808 PolarHBondContact N-NE2 2.69Å; W443-N875 VanDerWaalsContact CD2-ND2 3.27Å; W443-N875 WeakPolarHBondContact CH2-ND2 3.21Å; W443-N875 WeakPolarHBondContact CZ2-ND2 3.41Å; W443-N875 WeakPolarHBondContact CZ3-ND2 3.47Å; W443-Y877 WeakPolarHBondContact CZ2-O 3.24Å; W443-E878 HydrophobicContact CB-CG 4.06Å; W443-E878 HydrophobicContact CG-CG 3.85Å; W443-I879 VanDerWaalsContact CD1-N 3.32Å | ||
| 444 | F | 26.8 | Very low | 34.6 | Very low | 74 Ų | 74 | 61.9 Ų | 61.9 | 33% | 0.325 | 33% | 0.326 | S | S | . | . | trans | 94.7 | 108 | 161.2 | -73.3 | -82.1 | 0 | 0 | 0 | 127.8 | P807 H871 | F444-P807 VanDerWaalsContact C-CB 3.47Å; F444-P807 VanDerWaalsContact N-CB 3.29Å; F444-P807 WeakPolarHBondContact O-CA 3.11Å; F444-P807 WeakPolarHBondContact O-CB 3.28Å; F444-P807 WeakPolarHBondContact O-CD 3.23Å; F444-P807 WeakPolarHBondContact O-CG 3.22Å; F444-H871 PolarHBondContact O-CE1 3.45Å; F444-H871 PolarHBondContact O-NE2 3.25Å | ||
| 445 | S | 26.5 | Very low | 37.1 | Very low | 10 Ų | 10 | 57.4 Ų | 57.4 | 7% | 0.07 | 29% | 0.294 | C | S | . | . | trans | 76.2 | -158.1 | 146.9 | 94.4 | 0 | 0 | 0 | 0 | 121.3 | E804 A805 R806 P807 | S445-E804 WeakPolarHBondContact CB-OE1 3.48Å; S445-E804 WeakPolarHBondContact OG-CG 3.3Å; S445-E804 PolarHBondContact OG-OE1 2.94Å; S445-A805 CarbonylContact C-O 3.57Å; S445-A805 VanDerWaalsContact C-O 3.3Å; S445-A805 PolarHBondContact OG-O 2.88Å; S445-A805 VanDerWaalsContact OG-O 3.09Å; S445-R806 WeakPolarHBondContact O-CA 3.4Å; S445-P807 WeakPolarHBondContact O-CD 3.37Å | ||
| 446 | F | 26.8 | Very low | 39.7 | Very low | 17 Ų | 17 | 49.6 Ų | 49.6 | 8% | 0.075 | 26% | 0.259 | C | S | . | . | cis | -120.2 | 151 | -46.4 | -132.5 | -91 | 0 | 0 | 0 | 108.9 | R448 E797 E804 A805 | F446-R448 HydrophobicContact CD1-CG 4.24Å; F446-E797 HydrophobicContact CE1-CB 3.97Å; F446-E797 HydrophobicContact CZ-CB 4.33Å; F446-E804 HydrophobicContact CB-CB 3.71Å; F446-E804 WeakPolarHBondContact CB-O 3.28Å; F446-E804 HydrophobicContact CD2-CB 3.33Å; F446-E804 HydrophobicContact CD2-CG 4.01Å; F446-E804 WeakPolarHBondContact CD2-OE2 3.27Å; F446-E804 HydrophobicContact CE2-CB 3.85Å; F446-E804 WeakPolarHBondContact CE2-OE2 3.1Å; F446-E804 HydrophobicContact CG-CB 3.8Å; F446-E804 PolarHBondContact N-O 3.38Å; F446-A805 PolarHBondContact N-O 3.33Å | ||
| 447 | G | 27 | Very low | 42.1 | Very low | 6 Ų | 6 | 49.3 Ų | 49.3 | 6% | 0.062 | 25% | 0.248 | C | C | . | . | S | Bend | trans | 137.9 | 41.1 | -169.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | R449 R606 | G447-R449 WeakPolarHBondContact O-CG 3.41Å; G447-R449 PolarHBondContact O-N 3.03Å; G447-R606 PolarHBondContact O-NE 2.93Å; G447-R606 PolarHBondContact O-NH2 3.42Å |
| 448 | R | 28.4 | Very low | 44.8 | Very low | 90 Ų | 90 | 47.3 Ų | 47.3 | 34% | 0.34 | 23% | 0.233 | S | C | . | . | trans | -54.3 | 106.9 | -160.1 | -64 | 171.5 | 178.1 | 159.3 | 3.4 | 110.3 | F446 I450 G453 T595 E797 | F446-R448 HydrophobicContact CD1-CG 4.24Å; R448-I450 CarbonylContact C-O 3.57Å; R448-G453 WeakPolarHBondContact CA-O 3.41Å; R448-T595 WeakPolarHBondContact O-CB 3.33Å; R448-T595 PolarHBondContact O-OG1 2.94Å; R448-E797 IonicContact CZ-OE2 3.01Å; R448-E797 IonicContact NH1-OE2 3.75Å; R448-E797 PolarHBondContact NH1-OE2 3.3Å | ||
| 449 | R | 43.6 | Very low | 47.5 | Very low | 44 Ų | 44 | 45.4 Ų | 45.4 | 17% | 0.166 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -126.7 | 4.1 | 171.1 | -18.1 | -171.4 | -175.1 | 137.5 | -1.6 | 120 | G447 T595 R606 R793 | G447-R449 WeakPolarHBondContact O-CG 3.41Å; G447-R449 PolarHBondContact O-N 3.03Å; R449-T595 VanDerWaalsContact CB-CB 3.46Å; R449-T595 HydrophobicContact CB-CG2 3.75Å; R449-T595 HydrophobicContact CG-CG2 3.88Å; R449-R606 VanDerWaalsContact CA-CD 3.44Å; R449-R606 HydrophobicContact CB-CG 4.41Å; R449-R793 PolarHBondContact NH2-O 3.06Å; R449-R793 VanDerWaalsContact NH2-O 3.08Å |
| 450 | I | 49.1 | Very low | 50.2 | Low | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | S | Bend | -100.3 | 152.8 | 127.5 | -65.5 | -176.7 | 0 | 0 | 0 | 103.9 | R448 G452 G453 V589 R606 V608 D639 | R448-I450 CarbonylContact C-O 3.57Å; I450-G452 PolarHBondContact O-N 3.08Å; I450-G452 VanDerWaalsContact O-N 3.1Å; I450-G453 PolarHBondContact O-N 3.11Å; I450-V589 HydrophobicContact CD1-CG1 4.43Å; I450-R606 HydrophobicContact CG1-CB 4.18Å; I450-V608 HydrophobicContact CB-CB 4.21Å; I450-V608 HydrophobicContact CB-CG1 4.31Å; I450-V608 HydrophobicContact CG2-CB 3.81Å; I450-V608 HydrophobicContact CG2-CG1 3.45Å; I450-V608 VanDerWaalsContact CG2-CG1 3.45Å; I450-D639 WeakPolarHBondContact CG2-O 3.08Å | |
| 451 | V | 45.2 | Very low | 53.3 | Low | 19 Ų | 19 | 37 Ų | 37 | 12% | 0.115 | 18% | 0.183 | C | C | . | . | B | Isolated β-bridge | trans | -62.1 | 124.7 | -176.2 | -168.7 | 0 | 0 | 0 | 0 | 108.1 | G453 K638 D639 C641 C669 A670 | V451-G453 PolarHBondContact O-N 2.04Å; V451-K638 VanDerWaalsContact O-CA 3.26Å; V451-K638 WeakPolarHBondContact O-CA 3.44Å; V451-D639 PolarHBondContact N-O 3.05Å; V451-D639 PolarHBondContact O-N 2.95Å; V451-C641 HydrophobicContact CG2-CB 4.08Å; V451-C669 HydrophobicContact CG2-CB 3.76Å; V451-A670 HydrophobicContact CB-CB 3.78Å; V451-A670 HydrophobicContact CG1-CB 3.47Å; V451-A670 VanDerWaalsContact CG1-CB 3.47Å; V451-A670 HydrophobicContact CG2-CB 4.43Å |
| 452 | G | 53.1 | Low | 56.2 | Low | 12 Ų | 12 | 35.2 Ų | 35.2 | 12% | 0.124 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | -6.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 117 | I450 G637 | I450-G452 PolarHBondContact O-N 3.08Å; I450-G452 VanDerWaalsContact O-N 3.1Å; G452-G637 WeakPolarHBondContact CA-O 3.49Å; G452-G637 PolarHBondContact N-O 3.01Å |
| 453 | G | 60 | Low | 59.6 | Low | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -85.5 | 175.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | R448 I450 V451 M607 | R448-G453 WeakPolarHBondContact CA-O 3.41Å; I450-G453 PolarHBondContact O-N 3.11Å; V451-G453 PolarHBondContact O-N 2.04Å; G453-M607 CarbonylContact C-O 3.48Å; G453-M607 WeakPolarHBondContact CA-O 3.4Å | ||
| 454 | W | 69.9 | Low | 62.9 | Low | 42 Ų | 42 | 32.7 Ų | 32.7 | 16% | 0.159 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | -179.2 | 177.7 | 58.3 | 96.9 | 0 | 0 | 0 | 110.8 | F588 R606 M607 D609 | W454-F588 HydrophobicContact CH2-CD1 4.07Å; W454-F588 AromaticContact CH2-CE1 3.97Å; W454-F588 HydrophobicContact CH2-CE1 3.97Å; W454-F588 AromaticContact CZ2-CD1 3.97Å; W454-F588 HydrophobicContact CZ2-CD1 3.97Å; W454-F588 AromaticContact CZ2-CE1 3.87Å; W454-F588 HydrophobicContact CZ2-CE1 3.87Å; W454-R606 VanDerWaalsContact O-CA 3.31Å; W454-R606 WeakPolarHBondContact O-CA 3.29Å; W454-R606 WeakPolarHBondContact O-CB 3.47Å; W454-R606 PolarHBondContact O-NE 3.49Å; W454-M607 HydrophobicContact CD2-CG 4.28Å; W454-M607 HydrophobicContact CG-CG 4.43Å; W454-M607 HydrophobicContact CZ2-CE 4.18Å; W454-M607 HydrophobicContact CZ2-CG 3.97Å; W454-M607 HydrophobicContact CZ2-SD 4.32Å; W454-M607 PolarHBondContact N-O 2.9Å; W454-M607 VanDerWaalsContact NE1-CG 3.29Å; W454-M607 PolarHBondContact NE1-SD 3.29Å; W454-M607 VanDerWaalsContact NE1-SD 3.44Å; W454-M607 PolarHBondContact O-N 3.09Å; W454-D609 HydrophobicContact CH2-CB 4.01Å; W454-D609 VanDerWaalsContact CH2-N 3.32Å; W454-D609 HydrophobicContact CZ3-CB 4.48Å; W454-D609 VanDerWaalsContact CZ3-OD1 3.24Å; W454-D609 WeakPolarHBondContact CZ3-OD1 3.28Å |
| 455 | E | 81.4 | Confident | 66.2 | Low | 12 Ų | 12 | 29.1 Ų | 29.1 | 6% | 0.056 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 139.2 | 176.6 | -159.8 | 170.9 | 116.7 | 0 | 0 | 110.4 | H522 L604 L605 R606 L791 R806 | E455-H522 IonicContact OE1-CE1 3.86Å; E455-H522 IonicContact OE1-NE2 2.64Å; E455-H522 PolarHBondContact OE1-NE2 3.14Å; E455-L604 HydrophobicContact CG-CB 4.15Å; E455-L604 VanDerWaalsContact OE2-CD1 3.26Å; E455-L604 WeakPolarHBondContact OE2-CD1 3.04Å; E455-L605 VanDerWaalsContact CG-O 3.24Å; E455-L605 WeakPolarHBondContact CG-O 3.07Å; E455-R606 VanDerWaalsContact N-NH2 3.13Å; E455-R606 IonicContact OE2-NH1 2.8Å; E455-R606 PolarHBondContact OE2-NH1 2.94Å; E455-L791 HydrophobicContact CB-CD1 3.78Å; E455-L791 HydrophobicContact CB-CD2 3.93Å; E455-L791 HydrophobicContact CG-CD2 4.39Å; E455-L791 WeakPolarHBondContact OE2-CD2 3.34Å; E455-R806 PolarHBondContact O-NH1 3.14Å; E455-R806 PolarHBondContact O-NH2 3.13Å |
| 456 | A | 77.5 | Confident | 69.4 | Low | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | P | Polyproline II helix | trans | -56 | 156.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | I461 H522 L605 R806 | A456-I461 HydrophobicContact CB-CD1 3.74Å; A456-I461 HydrophobicContact CB-CG1 4.09Å; A456-H522 PolarHBondContact O-CE1 3.27Å; A456-L605 HydrophobicContact CB-CB 4.41Å; A456-L605 HydrophobicContact CB-CD2 4.29Å; A456-L605 HydrophobicContact CB-CG 4.01Å; A456-L605 PolarHBondContact N-O 3.25Å; A456-R806 PolarHBondContact O-NH1 2.99Å |
| 457 | R | 77.7 | Confident | 72.7 | Confident | 135 Ų | 135 | 30 Ų | 30 | 51% | 0.509 | 14% | 0.143 | S | C | . | . | P | Polyproline II helix | trans | -68.5 | 138 | 160.9 | 173.3 | 176.8 | 178.1 | 163 | -0.2 | 106.4 | H459 S460 E916 | R457-H459 PolarHBondContact O-N 2.99Å; R457-H459 VanDerWaalsContact O-N 3.12Å; R457-S460 PolarHBondContact N-OG 3.28Å; R457-S460 VanDerWaalsContact N-OG 3.13Å; R457-S460 VanDerWaalsContact O-CB 3.24Å; R457-S460 WeakPolarHBondContact O-CB 3.31Å; R457-S460 PolarHBondContact O-N 3.31Å; R457-S460 PolarHBondContact O-OG 3.43Å; R457-E916 IonicContact NH1-OE1 2.7Å |
| 458 | P | 81.4 | Confident | 75.8 | Confident | 66 Ų | 66 | 30.8 Ų | 30.8 | 43% | 0.429 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.3 | 122.5 | -178.4 | -32.8 | 36.5 | 0 | 0 | 0 | 112.8 | S460 H522 | P458-S460 PolarHBondContact O-N 2.77Å; P458-S460 VanDerWaalsContact O-N 3.12Å; P458-H522 HydrophobicContact CB-CB 4.44Å |
| 459 | H | 83.7 | Confident | 78.7 | Confident | 37 Ų | 37 | 27.7 Ų | 27.7 | 17% | 0.171 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 15 | -178 | -39.3 | -84.4 | 0 | 0 | 0 | 116.9 | R457 I461 G520 E529 S531 Y568 | R457-H459 PolarHBondContact O-N 2.99Å; R457-H459 VanDerWaalsContact O-N 3.12Å; H459-I461 PolarHBondContact O-N 2.89Å; H459-G520 PolarHBondContact CE1-O 3.24Å; H459-G520 PolarHBondContact ND1-O 3.41Å; H459-E529 IonicContact CE1-OE1 2.7Å; H459-E529 IonicContact CE1-OE2 3.61Å; H459-E529 PolarHBondContact CE1-OE2 3.3Å; H459-S531 PolarHBondContact CE1-OG 2.87Å; H459-Y568 HydrophobicContact CB-CD1 3.6Å; H459-Y568 HydrophobicContact CB-CE1 4.31Å; H459-Y568 AromaticContact CD2-CD1 3.84Å; H459-Y568 AromaticContact CD2-CE1 3.9Å; H459-Y568 AromaticContact CG-CD1 3.47Å; H459-Y568 VanDerWaalsContact CG-CD1 3.47Å; H459-Y568 AromaticContact ND1-CD1 3.78Å |
| 460 | S | 86.3 | Confident | 80.6 | Confident | 55 Ų | 55 | 28.6 Ų | 28.6 | 39% | 0.385 | 14% | 0.14 | S | C | . | . | trans | -71.2 | -8.7 | 177.8 | 59.7 | 0 | 0 | 0 | 0 | 115.2 | R457 P458 P462 | R457-S460 PolarHBondContact N-OG 3.28Å; R457-S460 VanDerWaalsContact N-OG 3.13Å; R457-S460 VanDerWaalsContact O-CB 3.24Å; R457-S460 WeakPolarHBondContact O-CB 3.31Å; R457-S460 PolarHBondContact O-N 3.31Å; R457-S460 PolarHBondContact O-OG 3.43Å; P458-S460 PolarHBondContact O-N 2.77Å; P458-S460 VanDerWaalsContact O-N 3.12Å; S460-P462 VanDerWaalsContact O-CD 3.25Å; S460-P462 WeakPolarHBondContact O-CD 3.41Å | ||
| 461 | I | 91.1 | Very high | 81.8 | Confident | 14 Ų | 14 | 32 Ų | 32 | 7% | 0.072 | 16% | 0.157 | C | C | . | . | trans | -118.3 | 69.9 | 179 | -47.3 | -176.4 | 0 | 0 | 0 | 108.1 | A456 H459 W463 Q464 L605 M607 | A456-I461 HydrophobicContact CB-CD1 3.74Å; A456-I461 HydrophobicContact CB-CG1 4.09Å; H459-I461 PolarHBondContact O-N 2.89Å; I461-W463 HydrophobicContact CG2-CD2 4.3Å; I461-W463 HydrophobicContact CG2-CG 4.38Å; I461-W463 HydrophobicContact CG2-CZ2 4.01Å; I461-W463 PolarHBondContact O-N 2.84Å; I461-W463 VanDerWaalsContact O-N 3.09Å; I461-Q464 HydrophobicContact CB-CB 4.35Å; I461-Q464 HydrophobicContact CG2-CB 3.89Å; I461-Q464 WeakPolarHBondContact O-CB 3.13Å; I461-Q464 PolarHBondContact O-N 3.49Å; I461-L605 HydrophobicContact CB-CD2 4.16Å; I461-L605 HydrophobicContact CD1-CD2 4.46Å; I461-M607 HydrophobicContact CD1-CB 4.15Å; I461-M607 HydrophobicContact CD1-SD 4.09Å | ||
| 462 | P | 92.7 | Very high | 82.7 | Confident | 16 Ų | 16 | 31.6 Ų | 31.6 | 10% | 0.104 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -7.1 | -165.7 | 32.5 | -40.1 | 0 | 0 | 0 | 113.9 | S460 Y568 T569 R570 | S460-P462 VanDerWaalsContact O-CD 3.25Å; S460-P462 WeakPolarHBondContact O-CD 3.41Å; P462-Y568 WeakPolarHBondContact CA-O 3.49Å; P462-T569 CarbonylContact O-C 3.48Å; P462-T569 VanDerWaalsContact O-CA 3.29Å; P462-T569 WeakPolarHBondContact O-CA 3.08Å; P462-R570 CarbonylContact C-O 3.56Å; P462-R570 VanDerWaalsContact C-O 3.27Å; P462-R570 HydrophobicContact CB-CB 4.07Å; P462-R570 HydrophobicContact CB-CG 4.19Å; P462-R570 HydrophobicContact CG-CB 3.93Å; P462-R570 HydrophobicContact CG-CG 4.25Å; P462-R570 PolarHBondContact O-N 2.86Å; P462-R570 VanDerWaalsContact O-O 3.14Å |
| 463 | W | 96.1 | Very high | 82.6 | Confident | 33 Ų | 33 | 33 Ų | 33 | 13% | 0.125 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -19.2 | 171.2 | 48.1 | 83.7 | 0 | 0 | 0 | 113.3 | I461 V465 S482 L483 R570 V572 V650 Y657 | I461-W463 HydrophobicContact CG2-CD2 4.3Å; I461-W463 HydrophobicContact CG2-CG 4.38Å; I461-W463 HydrophobicContact CG2-CZ2 4.01Å; I461-W463 PolarHBondContact O-N 2.84Å; I461-W463 VanDerWaalsContact O-N 3.09Å; W463-V465 PolarHBondContact O-N 3.2Å; W463-S482 CarbonylContact O-C 3.51Å; W463-S482 VanDerWaalsContact O-CA 3.29Å; W463-S482 WeakPolarHBondContact O-CA 3.48Å; W463-L483 HydrophobicContact CB-CB 4.41Å; W463-L483 PolarHBondContact O-N 3.27Å; W463-R570 WeakPolarHBondContact CA-O 3.06Å; W463-R570 WeakPolarHBondContact CB-O 3.19Å; W463-R570 PolarHBondContact N-O 3.3Å; W463-R570 VanDerWaalsContact N-O 3.11Å; W463-V572 HydrophobicContact CB-CB 3.93Å; W463-V572 HydrophobicContact CB-CG1 4.48Å; W463-V572 HydrophobicContact CD2-CB 3.78Å; W463-V572 HydrophobicContact CD2-CG2 4.13Å; W463-V572 HydrophobicContact CE3-CB 4.19Å; W463-V572 HydrophobicContact CG-CB 3.66Å; W463-V572 HydrophobicContact CG-CG1 4.48Å; W463-V572 HydrophobicContact CG-CG2 4.36Å; W463-V650 HydrophobicContact CZ2-CG2 4.32Å; W463-Y657 AromaticContact CH2-CD2 3.91Å; W463-Y657 HydrophobicContact CH2-CD2 3.91Å; W463-Y657 HydrophobicContact CH2-CG 4.08Å; W463-Y657 HydrophobicContact CZ2-CG 4.39Å |
| 464 | Q | 95.9 | Very high | 81.9 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.019 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 132.3 | -176.6 | -175.4 | 74.8 | 38.8 | 0 | 0 | 110.5 | I461 S590 W592 L605 P648 | I461-Q464 HydrophobicContact CB-CB 4.35Å; I461-Q464 HydrophobicContact CG2-CB 3.89Å; I461-Q464 WeakPolarHBondContact O-CB 3.13Å; I461-Q464 PolarHBondContact O-N 3.49Å; Q464-S590 PolarHBondContact NE2-O 3.09Å; Q464-S590 PolarHBondContact OE1-O 2.96Å; Q464-S590 PolarHBondContact OE1-OG 2.73Å; Q464-W592 HydrophobicContact CG-CE3 4.35Å; Q464-W592 HydrophobicContact CG-CH2 3.7Å; Q464-W592 HydrophobicContact CG-CZ3 3.48Å; Q464-W592 VanDerWaalsContact CG-CZ3 3.48Å; Q464-L605 HydrophobicContact CB-CD2 4.09Å; Q464-L605 HydrophobicContact CG-CD1 3.73Å; Q464-L605 HydrophobicContact CG-CD2 4.11Å; Q464-P648 VanDerWaalsContact OE1-CD 3.3Å |
| 465 | V | 95.9 | Very high | 81.4 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 158.3 | 169.5 | -47.6 | 0 | 0 | 0 | 0 | 111.1 | W463 G480 G481 L483 V496 V517 L518 V519 | W463-V465 PolarHBondContact O-N 3.2Å; V465-G480 CarbonylContact O-C 3.44Å; V465-G480 WeakPolarHBondContact O-CA 3.44Å; V465-G481 PolarHBondContact N-O 3.03Å; V465-G481 PolarHBondContact O-N 2.78Å; V465-G481 VanDerWaalsContact O-N 3.1Å; V465-L483 HydrophobicContact CG1-CD1 4.47Å; V465-L483 HydrophobicContact CG1-CD2 4.04Å; V465-L483 HydrophobicContact CG1-CG 3.75Å; V465-V496 HydrophobicContact CG2-CG1 3.6Å; V465-V496 HydrophobicContact CG2-CG2 4.24Å; V465-V517 HydrophobicContact CB-CG1 3.55Å; V465-V517 HydrophobicContact CG1-CG1 4.07Å; V465-V517 HydrophobicContact CG2-CG1 3.58Å; V465-L518 WeakPolarHBondContact CA-O 3.43Å; V465-L518 WeakPolarHBondContact CB-O 3.42Å; V465-V519 HydrophobicContact CB-CG1 4.35Å; V465-V519 HydrophobicContact CG1-CB 4.36Å; V465-V519 HydrophobicContact CG1-CG1 3.7Å |
| 466 | R | 94.6 | Very high | 81.1 | Confident | 43 Ų | 43 | 40.8 Ų | 40.8 | 16% | 0.162 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 111.2 | 170 | 179.8 | -177.2 | 179.3 | 95.9 | -15 | 108.5 | M468 C479 V517 L518 L524 W592 | R466-M468 HydrophobicContact CG-CG 4.09Å; R466-C479 CarbonylContact C-O 3.5Å; R466-C479 WeakPolarHBondContact CA-O 3.16Å; R466-V517 WeakPolarHBondContact O-CA 3.46Å; R466-L518 HydrophobicContact CB-CB 4.27Å; R466-L518 PolarHBondContact N-O 3.21Å; R466-L518 PolarHBondContact O-N 3.47Å; R466-L524 VanDerWaalsContact CZ-CD1 3.42Å; R466-W592 HydrophobicContact CB-CE3 3.94Å; R466-W592 HydrophobicContact CB-CH2 4.35Å; R466-W592 HydrophobicContact CB-CZ3 3.7Å; R466-W592 HydrophobicContact CG-CE3 4.48Å |
| 467 | L | 95.2 | Very high | 81.3 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 127.8 | 171.6 | 174.4 | 60.1 | 0 | 0 | 0 | 109 | V478 C479 T498 C502 L503 V517 L557 | L467-V478 WeakPolarHBondContact O-CA 3.35Å; L467-C479 HydrophobicContact CB-CB 4.15Å; L467-C479 HydrophobicContact CD2-CB 4.32Å; L467-C479 PolarHBondContact N-O 2.73Å; L467-C479 PolarHBondContact O-N 3.13Å; L467-T498 HydrophobicContact CD2-CG2 4.23Å; L467-C502 HydrophobicContact CD2-CB 3.87Å; L467-L503 HydrophobicContact CD2-CD2 3.97Å; L467-V517 HydrophobicContact CD1-CG2 4.01Å; L467-L557 HydrophobicContact CD1-CD1 3.79Å; L467-L557 HydrophobicContact CD2-CD1 4.25Å |
| 468 | M | 92 | Very high | 81.8 | Confident | 23 Ų | 23 | 37.6 Ų | 37.6 | 11% | 0.113 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 113.5 | 179.9 | -65.2 | -177.9 | 53.5 | 0 | 0 | 109.3 | R466 Y476 V478 R516 Y534 | R466-M468 HydrophobicContact CG-CG 4.09Å; M468-Y476 HydrophobicContact CB-CD1 3.88Å; M468-Y476 HydrophobicContact CB-CG 4.36Å; M468-Y476 HydrophobicContact CE-CD1 3.86Å; M468-Y476 HydrophobicContact CE-CD2 3.77Å; M468-Y476 HydrophobicContact CE-CE1 4.28Å; M468-Y476 HydrophobicContact CE-CE2 4.21Å; M468-Y476 HydrophobicContact CE-CG 3.58Å; M468-V478 HydrophobicContact CG-CG1 4.21Å; M468-R516 PolarHBondContact N-O 2.91Å; M468-R516 PolarHBondContact O-N 3.44Å; M468-Y534 HydrophobicContact SD-CE1 3.79Å |
| 469 | R | 90.8 | Very high | 82.4 | Confident | 24 Ų | 24 | 34.9 Ų | 34.9 | 9% | 0.091 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 116.1 | 174.3 | 174.3 | -179.1 | 61.3 | -175.6 | -3.9 | 109.9 | I471 Y476 S477 C502 L503 Y504 A510 R514 L515 | R469-I471 PolarHBondContact O-N 3.39Å; R469-Y476 CarbonylContact O-C 3.11Å; R469-Y476 VanDerWaalsContact O-CA 3.32Å; R469-Y476 WeakPolarHBondContact O-CA 3.41Å; R469-S477 PolarHBondContact N-O 2.82Å; R469-S477 PolarHBondContact NH2-OG 2.77Å; R469-S477 PolarHBondContact O-N 2.92Å; R469-C502 VanDerWaalsContact CZ-O 3.22Å; R469-C502 PolarHBondContact NE-O 3.49Å; R469-C502 PolarHBondContact NH1-O 2.74Å; R469-L503 PolarHBondContact NH1-O 3.38Å; R469-Y504 PolarHBondContact NH1-O 2.88Å; R469-A510 HydrophobicContact CG-CB 4.02Å; R469-R514 CarbonylContact C-O 3.6Å; R469-R514 WeakPolarHBondContact CA-O 3.4Å; R469-L515 HydrophobicContact CB-CD2 3.69Å; R469-L515 HydrophobicContact CG-CD2 3.79Å |
| 470 | Q | 82.9 | Confident | 82.8 | Confident | 64 Ų | 64 | 33.1 Ų | 33.1 | 30% | 0.299 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 122.1 | 177.3 | -165.4 | 178.6 | 25.4 | 0 | 0 | 110.8 | S472 Y476 R514 | Q470-S472 WeakPolarHBondContact CG-O 3.48Å; Q470-Y476 HydrophobicContact CB-CD1 4.07Å; Q470-Y476 HydrophobicContact CB-CE1 3.82Å; Q470-Y476 HydrophobicContact CG-CE1 4.1Å; Q470-R514 HydrophobicContact CB-CB 4.14Å; Q470-R514 PolarHBondContact N-O 2.88Å |
| 471 | I | 73.6 | Confident | 83.3 | Confident | 71 Ų | 71 | 30.5 Ų | 30.5 | 36% | 0.364 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -97.2 | -45.5 | 177.4 | -33.4 | 175.5 | 0 | 0 | 0 | 110.2 | E213 R469 Q475 S477 | E213-I471 HydrophobicContact CG-CG2 3.85Å; E213-I471 WeakPolarHBondContact OE1-CG2 3.3Å; R469-I471 PolarHBondContact O-N 3.39Å; I471-Q475 HydrophobicContact CD1-CB 4.45Å; I471-Q475 PolarHBondContact N-O 2.8Å; I471-S477 VanDerWaalsContact CG1-N 3.35Å |
| 472 | S | 64.3 | Low | 83.7 | Confident | 11 Ų | 11 | 29.8 Ų | 29.8 | 8% | 0.077 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -136.3 | 174.4 | 170.5 | 51.2 | 0 | 0 | 0 | 0 | 108.3 | E209 E213 Q470 Y474 Q475 | E209-S472 WeakPolarHBondContact O-CB 3.32Å; E213-S472 WeakPolarHBondContact OE2-CB 3.49Å; E213-S472 PolarHBondContact OE2-OG 3.27Å; Q470-S472 WeakPolarHBondContact CG-O 3.48Å; S472-Y474 PolarHBondContact O-N 3.32Å; S472-Q475 PolarHBondContact N-O 2.76Å; S472-Q475 PolarHBondContact O-N 2.99Å; S472-Q475 WeakPolarHBondContact OG-CB 3.33Å |
| 473 | S | 51.5 | Low | 83.9 | Confident | 42 Ų | 42 | 29.1 Ų | 29.1 | 29% | 0.294 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -62.7 | -10.8 | -175.6 | 53.3 | 0 | 0 | 0 | 0 | 115.6 | E209 | E209-S473 WeakPolarHBondContact CB-OG 3.3Å; E209-S473 WeakPolarHBondContact CG-OG 3.28Å; E209-S473 VanDerWaalsContact OE2-CB 3.29Å; E209-S473 WeakPolarHBondContact OE2-CB 3.37Å; E209-S473 PolarHBondContact OE2-N 3.28Å; E209-S473 PolarHBondContact OE2-OG 3.07Å |
| 474 | Y | 44.8 | Very low | 83.9 | Confident | 88 Ų | 88 | 27.6 Ų | 27.6 | 35% | 0.345 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -127 | -9 | 179 | -56.5 | -85.6 | 0 | 0 | 0 | 115.2 | T205 Q206 E209 S472 | T205-Y474 VanDerWaalsContact C-CE2 3.5Å; T205-Y474 VanDerWaalsContact CB-OH 3.29Å; T205-Y474 WeakPolarHBondContact CB-OH 3.25Å; T205-Y474 HydrophobicContact CG2-CE2 3.88Å; T205-Y474 WeakPolarHBondContact CG2-OH 3.36Å; Q206-Y474 VanDerWaalsContact CA-CD2 3.43Å; Q206-Y474 HydrophobicContact CB-CD2 4.17Å; Q206-Y474 HydrophobicContact CB-CG 4.19Å; Q206-Y474 HydrophobicContact CG-CD1 3.57Å; Q206-Y474 HydrophobicContact CG-CD2 3.9Å; Q206-Y474 HydrophobicContact CG-CE1 3.98Å; Q206-Y474 HydrophobicContact CG-CE2 4.28Å; Q206-Y474 HydrophobicContact CG-CG 3.51Å; Q206-Y474 VanDerWaalsContact NE2-CE1 3.35Å; E209-Y474 HydrophobicContact CB-CD2 3.87Å; E209-Y474 HydrophobicContact CB-CE2 4.2Å; E209-Y474 HydrophobicContact CG-CD2 4.19Å; E209-Y474 HydrophobicContact CG-CE2 4.02Å; S472-Y474 PolarHBondContact O-N 3.32Å |
| 475 | Q | 59.5 | Low | 83.7 | Confident | 49 Ų | 49 | 29 Ų | 29 | 23% | 0.229 | 14% | 0.141 | C | C | . | . | trans | -110.3 | 133.9 | 175.5 | -61.4 | -154.6 | -13.9 | 0 | 0 | 111.5 | E192 T196 M210 I471 S472 | E192-Q475 PolarHBondContact OE1-NE2 3.07Å; T196-Q475 PolarHBondContact OG1-NE2 2.9Å; M210-Q475 HydrophobicContact CE-CG 4.32Å; I471-Q475 HydrophobicContact CD1-CB 4.45Å; I471-Q475 PolarHBondContact N-O 2.8Å; S472-Q475 PolarHBondContact N-O 2.76Å; S472-Q475 PolarHBondContact O-N 2.99Å; S472-Q475 WeakPolarHBondContact OG-CB 3.33Å | ||
| 476 | Y | 74.8 | Confident | 83.4 | Confident | 80 Ų | 80 | 29.7 Ų | 29.7 | 31% | 0.314 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 128.5 | 173.9 | -66.3 | -93.7 | 0 | 0 | 0 | 109.2 | M468 R469 Q470 | M468-Y476 HydrophobicContact CB-CD1 3.88Å; M468-Y476 HydrophobicContact CB-CG 4.36Å; M468-Y476 HydrophobicContact CE-CD1 3.86Å; M468-Y476 HydrophobicContact CE-CD2 3.77Å; M468-Y476 HydrophobicContact CE-CE1 4.28Å; M468-Y476 HydrophobicContact CE-CE2 4.21Å; M468-Y476 HydrophobicContact CE-CG 3.58Å; R469-Y476 CarbonylContact O-C 3.11Å; R469-Y476 VanDerWaalsContact O-CA 3.32Å; R469-Y476 WeakPolarHBondContact O-CA 3.41Å; Q470-Y476 HydrophobicContact CB-CD1 4.07Å; Q470-Y476 HydrophobicContact CB-CE1 3.82Å; Q470-Y476 HydrophobicContact CG-CE1 4.1Å |
| 477 | S | 82 | Confident | 82.8 | Confident | 34 Ų | 34 | 29.1 Ų | 29.1 | 24% | 0.238 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 127.5 | 161.2 | 174.1 | 0 | 0 | 0 | 0 | 106.6 | R469 I471 | R469-S477 PolarHBondContact N-O 2.82Å; R469-S477 PolarHBondContact NH2-OG 2.77Å; R469-S477 PolarHBondContact O-N 2.92Å; I471-S477 VanDerWaalsContact CG1-N 3.35Å |
| 478 | V | 88.2 | Confident | 81.9 | Confident | 33 Ų | 33 | 36.1 Ų | 36.1 | 20% | 0.2 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 137.2 | -172.5 | -60.7 | 0 | 0 | 0 | 0 | 111.7 | L467 M468 | L467-V478 WeakPolarHBondContact O-CA 3.35Å; M468-V478 HydrophobicContact CG-CG1 4.21Å |
| 479 | C | 93.4 | Very high | 80.7 | Confident | 9 Ų | 9 | 41.1 Ų | 41.1 | 6% | 0.061 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 163.4 | 176.3 | -84.7 | 0 | 0 | 0 | 0 | 110.1 | R466 L467 C502 S645 | R466-C479 CarbonylContact C-O 3.5Å; R466-C479 WeakPolarHBondContact CA-O 3.16Å; L467-C479 HydrophobicContact CB-CB 4.15Å; L467-C479 HydrophobicContact CD2-CB 4.32Å; L467-C479 PolarHBondContact N-O 2.73Å; L467-C479 PolarHBondContact O-N 3.13Å; C479-C502 HydrophobicContact CB-CB 3.7Å; C479-C502 WeakPolarHBondContact CB-SG 3.37Å; C479-C502 WeakPolarHBondContact SG-CB 3.39Å; C479-C502 CovalentContact SG-SG 2.03Å; C479-C502 PolarHBondContact SG-SG 3.11Å; C479-S645 CarbonylContact C-O 3.44Å; C479-S645 WeakPolarHBondContact CA-O 3.46Å; C479-S645 WeakPolarHBondContact CB-O 3.43Å; C479-S645 PolarHBondContact SG-O 3.37Å |
| 480 | G | 93.8 | Very high | 80 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 179.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V465 T498 S645 G646 | V465-G480 CarbonylContact O-C 3.44Å; V465-G480 WeakPolarHBondContact O-CA 3.44Å; G480-T498 PolarHBondContact O-OG1 3.06Å; G480-S645 PolarHBondContact N-O 3.47Å; G480-G646 CarbonylContact O-C 3.58Å |
| 481 | G | 96.8 | Very high | 80 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.3 | 177.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | V465 L497 G646 | V465-G481 PolarHBondContact N-O 3.03Å; V465-G481 PolarHBondContact O-N 2.78Å; V465-G481 VanDerWaalsContact O-N 3.1Å; G481-L497 CarbonylContact C-O 3.5Å; G481-L497 WeakPolarHBondContact CA-O 3.48Å; G481-G646 WeakPolarHBondContact CA-O 2.9Å |
| 482 | S | 97.9 | Very high | 80.6 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 125.9 | -175.4 | 26.3 | 0 | 0 | 0 | 0 | 111 | W463 I484 V496 L497 Q659 | W463-S482 CarbonylContact O-C 3.51Å; W463-S482 VanDerWaalsContact O-CA 3.29Å; W463-S482 WeakPolarHBondContact O-CA 3.48Å; S482-I484 PolarHBondContact O-N 2.89Å; S482-V496 CarbonylContact O-C 3.27Å; S482-V496 VanDerWaalsContact O-CA 3.26Å; S482-V496 WeakPolarHBondContact O-CA 3.45Å; S482-L497 PolarHBondContact N-O 3.28Å; S482-L497 PolarHBondContact O-N 3.08Å; S482-L497 PolarHBondContact OG-O 2.87Å; S482-L497 VanDerWaalsContact OG-O 3.05Å; S482-Q659 PolarHBondContact OG-NE2 3.46Å; S482-Q659 PolarHBondContact OG-OE1 2.88Å |
| 483 | L | 97 | Very high | 82 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 129.7 | 164.6 | -66.3 | 172.7 | 0 | 0 | 0 | 108.8 | W463 V465 T493 V496 V519 L559 V563 P571 V572 | W463-L483 HydrophobicContact CB-CB 4.41Å; W463-L483 PolarHBondContact O-N 3.27Å; V465-L483 HydrophobicContact CG1-CD1 4.47Å; V465-L483 HydrophobicContact CG1-CD2 4.04Å; V465-L483 HydrophobicContact CG1-CG 3.75Å; L483-T493 HydrophobicContact CB-CG2 4.13Å; L483-T493 HydrophobicContact CD2-CG2 4.01Å; L483-V496 HydrophobicContact CD2-CG2 4.02Å; L483-V519 HydrophobicContact CD2-CG1 4.39Å; L483-L559 HydrophobicContact CD2-CD1 4.48Å; L483-V563 HydrophobicContact CD1-CG1 4.05Å; L483-V563 HydrophobicContact CD2-CB 4.38Å; L483-V563 HydrophobicContact CD2-CG2 4.09Å; L483-P571 CarbonylContact O-C 3.32Å; L483-P571 WeakPolarHBondContact O-CA 3.06Å; L483-V572 PolarHBondContact O-N 2.86Å |
| 484 | I | 96.3 | Very high | 84 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 155.7 | 179 | 56.2 | 156.7 | 0 | 0 | 0 | 110.8 | S482 T493 F495 L497 V556 V572 L574 T688 | S482-I484 PolarHBondContact O-N 2.89Å; I484-T493 WeakPolarHBondContact O-CB 3.44Å; I484-T493 PolarHBondContact O-OG1 3.11Å; I484-F495 HydrophobicContact CD1-CB 4.23Å; I484-F495 HydrophobicContact CG1-CB 3.81Å; I484-F495 PolarHBondContact N-O 3.38Å; I484-F495 VanDerWaalsContact N-O 3.08Å; I484-L497 HydrophobicContact CD1-CB 4.11Å; I484-L497 HydrophobicContact CG1-CB 4.31Å; I484-L497 HydrophobicContact CG2-CB 3.75Å; I484-L497 HydrophobicContact CG2-CD2 4.42Å; I484-V556 HydrophobicContact CD1-CG1 4.43Å; I484-V572 HydrophobicContact CG2-CG1 4.12Å; I484-L574 HydrophobicContact CB-CD1 4.39Å; I484-L574 HydrophobicContact CB-CD2 4.46Å; I484-L574 HydrophobicContact CD1-CD1 4.49Å; I484-L574 HydrophobicContact CG2-CD2 3.9Å; I484-L574 HydrophobicContact CG2-CG 4.48Å; I484-T688 HydrophobicContact CD1-CG2 4.05Å |
| 485 | Q | 92.1 | Very high | 86.5 | Confident | 35 Ų | 35 | 38.1 Ų | 38.1 | 16% | 0.164 | 20% | 0.196 | C | C | . | . | trans | -125.1 | 91.3 | 171.7 | -174.6 | 57.1 | 33.5 | 0 | 0 | 108.7 | F487 E488 T493 Y565 P571 | Q485-F487 VanDerWaalsContact C-N 3.32Å; Q485-F487 WeakPolarHBondContact CG-O 3.38Å; Q485-F487 PolarHBondContact NE2-O 2.96Å; Q485-F487 VanDerWaalsContact NE2-O 3.1Å; Q485-F487 PolarHBondContact O-N 2.79Å; Q485-E488 PolarHBondContact NE2-O 3.36Å; Q485-T493 PolarHBondContact OE1-OG1 2.98Å; Q485-Y565 VanDerWaalsContact CD-OH 3.27Å; Q485-Y565 WeakPolarHBondContact CG-OH 3.44Å; Q485-Y565 PolarHBondContact OE1-OH 2.88Å; Q485-P571 HydrophobicContact CB-CB 3.85Å; Q485-P571 HydrophobicContact CB-CG 3.78Å | ||
| 486 | P | 88.7 | Confident | 88.3 | Confident | 13 Ų | 13 | 35.8 Ų | 35.8 | 8% | 0.084 | 19% | 0.185 | C | C | . | . | trans | -81.3 | -6.4 | -168.3 | 30.3 | -34.1 | 0 | 0 | 0 | 114.7 | F495 L574 V689 C692 | P486-F495 HydrophobicContact CG-CD2 4.03Å; P486-F495 HydrophobicContact CG-CG 4.38Å; P486-L574 HydrophobicContact CB-CD1 4.33Å; P486-V689 HydrophobicContact CB-CG2 4.14Å; P486-V689 WeakPolarHBondContact O-CG1 3.43Å; P486-C692 HydrophobicContact CB-CB 4.09Å; P486-C692 HydrophobicContact CG-CB 3.47Å; P486-C692 VanDerWaalsContact CG-CB 3.47Å; P486-C692 VanDerWaalsContact CG-SG 3.58Å | ||
| 487 | F | 82.7 | Confident | 89.4 | Confident | 31 Ų | 31 | 32 Ų | 32 | 14% | 0.136 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -150.7 | -165.9 | 177.7 | 46.8 | -108.6 | 0 | 0 | 0 | 109.4 | Q485 F495 C692 R693 E696 | Q485-F487 VanDerWaalsContact C-N 3.32Å; Q485-F487 WeakPolarHBondContact CG-O 3.38Å; Q485-F487 PolarHBondContact NE2-O 2.96Å; Q485-F487 VanDerWaalsContact NE2-O 3.1Å; Q485-F487 PolarHBondContact O-N 2.79Å; F487-F495 AromaticContact CE1-CE2 3.91Å; F487-F495 HydrophobicContact CE1-CE2 3.91Å; F487-F495 HydrophobicContact CE1-CZ 4.34Å; F487-F495 HydrophobicContact CZ-CD2 4.46Å; F487-F495 AromaticContact CZ-CE2 3.58Å; F487-F495 HydrophobicContact CZ-CE2 3.58Å; F487-F495 HydrophobicContact CZ-CZ 4.21Å; F487-C692 HydrophobicContact CD1-CB 4.48Å; F487-C692 HydrophobicContact CE1-CB 3.96Å; F487-R693 HydrophobicContact CD1-CG 3.83Å; F487-R693 HydrophobicContact CE1-CG 4.14Å; F487-E696 WeakPolarHBondContact CE2-OE2 3.3Å; F487-E696 HydrophobicContact CZ-CB 4.48Å; F487-E696 VanDerWaalsContact CZ-OE2 3.22Å; F487-E696 WeakPolarHBondContact CZ-OE2 3.41Å |
| 488 | E | 75.7 | Confident | 90.1 | Very high | 150 Ų | 150 | 30.3 Ų | 30.3 | 70% | 0.701 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -36.7 | 140.9 | -167.2 | -64.8 | -178 | -177.4 | 0 | 0 | 116.2 | Q485 R490 | Q485-E488 PolarHBondContact NE2-O 3.36Å; E488-R490 PolarHBondContact O-N 3.29Å |
| 489 | P | 67.2 | Low | 90.5 | Very high | 128 Ų | 128 | 28.8 Ų | 28.8 | 83% | 0.831 | 15% | 0.15 | S | C | * | . | trans | -55.9 | 134.3 | 177.6 | -23.8 | 33.7 | 0 | 0 | 0 | 112.6 | ||||
| 490 | R | 77.4 | Confident | 90.7 | Very high | 71 Ų | 71 | 28.3 Ų | 28.3 | 27% | 0.268 | 15% | 0.147 | S | C | . | . | trans | -133.7 | 179 | 174.1 | -64.6 | -171.4 | -175.4 | 166.5 | 9.7 | 109.7 | E488 G492 Y562 Y565 E696 | E488-R490 PolarHBondContact O-N 3.29Å; R490-G492 VanDerWaalsContact C-N 3.25Å; R490-G492 PolarHBondContact O-N 3.43Å; R490-Y562 PolarHBondContact NH1-OH 2.85Å; R490-Y565 WeakPolarHBondContact O-CD2 3.04Å; R490-Y565 WeakPolarHBondContact O-CE2 3.4Å; R490-E696 IonicContact CZ-OE1 3.35Å; R490-E696 IonicContact CZ-OE2 3.29Å; R490-E696 IonicContact NH1-OE1 2.71Å; R490-E696 PolarHBondContact NH1-OE1 2.34Å; R490-E696 IonicContact NH1-OE2 2.8Å; R490-E696 PolarHBondContact NH1-OE2 3.48Å; R490-E696 IonicContact NH2-OE1 3.57Å; R490-E696 IonicContact NH2-OE2 3.42Å; R490-E696 PolarHBondContact NH2-OE2 2.89Å | ||
| 491 | N | 82.1 | Confident | 90.6 | Very high | 151 Ų | 151 | 30.2 Ų | 30.2 | 81% | 0.807 | 16% | 0.155 | S | C | * | . | S | Bend | trans | -86.1 | 7.7 | 174.7 | -66.2 | -13.1 | 0 | 0 | 0 | 113.4 | Y565 | N491-Y565 PolarHBondContact O-N 3.02Š|
| 492 | G | 86.8 | Confident | 90.5 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.9 | 163.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R490 V563 Y565 | R490-G492 VanDerWaalsContact C-N 3.25Å; R490-G492 PolarHBondContact O-N 3.43Å; G492-V563 CarbonylContact C-O 3.49Å; G492-V563 WeakPolarHBondContact CA-O 3.48Å; G492-Y565 VanDerWaalsContact CA-CD1 3.5Å |
| 493 | T | 92.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 150.4 | 173.4 | -174.4 | 0 | 0 | 0 | 0 | 111.4 | L483 I484 Q485 F495 V563 Y565 | L483-T493 HydrophobicContact CB-CG2 4.13Å; L483-T493 HydrophobicContact CD2-CG2 4.01Å; I484-T493 WeakPolarHBondContact O-CB 3.44Å; I484-T493 PolarHBondContact O-OG1 3.11Å; Q485-T493 PolarHBondContact OE1-OG1 2.98Å; T493-F495 PolarHBondContact OG1-N 3.28Å; T493-F495 VanDerWaalsContact OG1-N 3.12Å; T493-V563 PolarHBondContact N-O 2.03Å; T493-V563 PolarHBondContact O-N 2.83Å; T493-Y565 HydrophobicContact CG2-CE1 4.07Å |
| 494 | Q | 94 | Very high | 89.9 | Confident | 9 Ų | 9 | 34 Ų | 34 | 4% | 0.042 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 7.7 | 171.5 | 59.7 | 174.5 | -38.7 | 0 | 0 | 112.3 | Q558 L559 Y562 E696 | Q494-Q558 HydrophobicContact CG-CG 4.48Å; Q494-Q558 CarbonylContact O-C 3.48Å; Q494-Q558 WeakPolarHBondContact O-CA 3.45Å; Q494-L559 WeakPolarHBondContact O-CG 3.21Å; Q494-L559 PolarHBondContact O-N 3.45Å; Q494-Y562 HydrophobicContact CB-CD1 4.07Å; Q494-Y562 HydrophobicContact CB-CE1 4.17Å; Q494-Y562 HydrophobicContact CB-CG 4.34Å; Q494-Y562 HydrophobicContact CG-CD1 4.34Å; Q494-Y562 HydrophobicContact CG-CE1 3.93Å; Q494-Y562 PolarHBondContact NE2-OH 3.25Å; Q494-Y562 VanDerWaalsContact NE2-OH 3.17Å; Q494-E696 PolarHBondContact NE2-OE1 3.17Å; Q494-E696 VanDerWaalsContact NE2-OE1 3.08Å |
| 495 | F | 96.8 | Very high | 89.1 | Confident | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.009 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 135.3 | -170.4 | -61 | -71.8 | 0 | 0 | 0 | 113.8 | I484 P486 F487 T493 V556 L557 Q558 C692 M695 E696 | I484-F495 HydrophobicContact CD1-CB 4.23Å; I484-F495 HydrophobicContact CG1-CB 3.81Å; I484-F495 PolarHBondContact N-O 3.38Å; I484-F495 VanDerWaalsContact N-O 3.08Å; P486-F495 HydrophobicContact CG-CD2 4.03Å; P486-F495 HydrophobicContact CG-CG 4.38Å; F487-F495 AromaticContact CE1-CE2 3.91Å; F487-F495 HydrophobicContact CE1-CE2 3.91Å; F487-F495 HydrophobicContact CE1-CZ 4.34Å; F487-F495 HydrophobicContact CZ-CD2 4.46Å; F487-F495 AromaticContact CZ-CE2 3.58Å; F487-F495 HydrophobicContact CZ-CE2 3.58Å; F487-F495 HydrophobicContact CZ-CZ 4.21Å; T493-F495 PolarHBondContact OG1-N 3.28Å; T493-F495 VanDerWaalsContact OG1-N 3.12Å; F495-V556 HydrophobicContact CD1-CG1 4.36Å; F495-L557 WeakPolarHBondContact CA-O 3.43Å; F495-Q558 HydrophobicContact CE1-CB 4.32Å; F495-Q558 HydrophobicContact CE1-CG 4.29Å; F495-C692 HydrophobicContact CD1-CB 4.01Å; F495-C692 HydrophobicContact CD2-CB 4.44Å; F495-C692 HydrophobicContact CE1-CB 3.83Å; F495-C692 HydrophobicContact CE2-CB 4.29Å; F495-C692 HydrophobicContact CG-CB 4.31Å; F495-C692 HydrophobicContact CZ-CB 3.98Å; F495-C692 WeakPolarHBondContact CZ-O 3.49Å; F495-M695 HydrophobicContact CD1-CE 4.33Å; F495-M695 HydrophobicContact CE1-CB 4.29Å; F495-M695 HydrophobicContact CE1-CE 4.19Å; F495-E696 HydrophobicContact CZ-CB 4.25Å |
| 496 | V | 97.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 126.1 | 175 | 173.2 | 0 | 0 | 0 | 0 | 109.8 | V465 S482 L483 V517 V556 L557 L559 | V465-V496 HydrophobicContact CG2-CG1 3.6Å; V465-V496 HydrophobicContact CG2-CG2 4.24Å; S482-V496 CarbonylContact O-C 3.27Å; S482-V496 VanDerWaalsContact O-CA 3.26Å; S482-V496 WeakPolarHBondContact O-CA 3.45Å; L483-V496 HydrophobicContact CD2-CG2 4.02Å; V496-V517 HydrophobicContact CG2-CG1 4.31Å; V496-V556 CarbonylContact O-C 3.57Å; V496-V556 WeakPolarHBondContact O-CA 3.41Å; V496-L557 HydrophobicContact CB-CB 4.2Å; V496-L557 HydrophobicContact CB-CD1 4.26Å; V496-L557 HydrophobicContact CB-CG 4.29Å; V496-L557 HydrophobicContact CG1-CD1 4.15Å; V496-L557 HydrophobicContact CG1-CG 4.45Å; V496-L557 PolarHBondContact N-O 3.33Å; V496-L557 PolarHBondContact O-N 3.37Å; V496-L559 HydrophobicContact CG2-CD1 4.05Å; V496-L559 HydrophobicContact CG2-CD2 4.18Å; V496-L559 HydrophobicContact CG2-CG 4.23Å |
| 497 | L | 98 | Very high | 87.1 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 135 | 169 | -170.7 | 65.3 | 0 | 0 | 0 | 109.9 | G481 S482 I484 I554 V556 L574 V662 V681 T688 | G481-L497 CarbonylContact C-O 3.5Å; G481-L497 WeakPolarHBondContact CA-O 3.48Å; S482-L497 PolarHBondContact N-O 3.28Å; S482-L497 PolarHBondContact O-N 3.08Å; S482-L497 PolarHBondContact OG-O 2.87Å; S482-L497 VanDerWaalsContact OG-O 3.05Å; I484-L497 HydrophobicContact CD1-CB 4.11Å; I484-L497 HydrophobicContact CG1-CB 4.31Å; I484-L497 HydrophobicContact CG2-CB 3.75Å; I484-L497 HydrophobicContact CG2-CD2 4.42Å; L497-I554 HydrophobicContact CD1-CD1 4.03Å; L497-I554 HydrophobicContact CD1-CG1 3.9Å; L497-V556 HydrophobicContact CD1-CG2 3.89Å; L497-L574 HydrophobicContact CD2-CD2 4.45Å; L497-V662 HydrophobicContact CD2-CG2 4.09Å; L497-V662 HydrophobicContact CG-CG2 4.08Å; L497-V681 HydrophobicContact CD2-CG1 4.23Å; L497-V681 HydrophobicContact CD2-CG2 4.2Å; L497-T688 HydrophobicContact CD1-CG2 4.35Å |
| 498 | T | 97.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 178.4 | -177.5 | -177.3 | 0 | 0 | 0 | 0 | 110.7 | L467 G480 A555 L557 | L467-T498 HydrophobicContact CD2-CG2 4.23Å; G480-T498 PolarHBondContact O-OG1 3.06Å; T498-A555 HydrophobicContact CG2-CB 4.18Å; T498-A555 PolarHBondContact N-O 3.06Å; T498-A555 PolarHBondContact O-N 3.44Å; T498-L557 HydrophobicContact CG2-CD1 4.26Å; T498-L557 HydrophobicContact CG2-CD2 3.94Å; T498-L557 HydrophobicContact CG2-CG 3.98Å |
| 499 | A | 96.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -80.7 | 151.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | C502 G646 V662 | A499-C502 WeakPolarHBondContact O-CB 3.3Å; A499-G646 VanDerWaalsContact N-CA 3.32Å; A499-V662 HydrophobicContact CB-CG1 3.96Å | ||
| 500 | A | 96.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -74.2 | -34.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | C502 L503 Y504 H542 Y545 D553 A555 | A500-C502 PolarHBondContact O-N 3.14Å; A500-C502 VanDerWaalsContact O-N 3.17Å; A500-L503 WeakPolarHBondContact O-CB 3.4Å; A500-L503 PolarHBondContact O-N 3.12Å; A500-Y504 PolarHBondContact O-N 2.87Å; A500-Y504 VanDerWaalsContact O-N 3.07Å; A500-H542 HydrophobicContact CB-CB 3.97Å; A500-Y545 VanDerWaalsContact CB-CB 3.42Å; A500-Y545 HydrophobicContact CB-CD1 4.11Å; A500-Y545 HydrophobicContact CB-CD2 4.28Å; A500-Y545 HydrophobicContact CB-CG 3.68Å; A500-D553 WeakPolarHBondContact CA-OD1 3.4Å; A500-D553 PolarHBondContact N-OD1 3.48Å; A500-A555 HydrophobicContact CB-CB 4.22Å |
| 501 | H | 92.3 | Very high | 89.3 | Confident | 40 Ų | 40 | 30.7 Ų | 30.7 | 19% | 0.185 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -22.4 | 177.8 | 80.9 | -100.9 | 0 | 0 | 0 | 113.3 | L503 Y545 D553 S645 S664 | H501-L503 PolarHBondContact O-N 3.08Å; H501-Y545 HydrophobicContact CB-CE1 3.95Å; H501-Y545 HydrophobicContact CB-CE2 4.46Å; H501-D553 IonicContact CE1-OD2 3.8Å; H501-D553 IonicContact CG-OD1 3.6Å; H501-D553 IonicContact CG-OD2 3.66Å; H501-D553 PolarHBondContact N-OD1 2.63Å; H501-D553 IonicContact ND1-OD1 3.17Å; H501-D553 PolarHBondContact ND1-OD1 3.38Å; H501-D553 IonicContact ND1-OD2 3.17Å; H501-D553 PolarHBondContact ND1-OD2 3.41Å; H501-S645 PolarHBondContact CE1-OG 2.89Å; H501-S645 WeakPolarHBondContact NE2-CB 3.47Å; H501-S645 PolarHBondContact NE2-OG 2.84Å; H501-S664 PolarHBondContact CE1-O 3.47Å |
| 502 | C | 93.7 | Very high | 89.7 | Confident | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.02 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -24.1 | 172.4 | -68.4 | 0 | 0 | 0 | 0 | 113.3 | L467 R469 C479 A499 A500 | L467-C502 HydrophobicContact CD2-CB 3.87Å; R469-C502 VanDerWaalsContact CZ-O 3.22Å; R469-C502 PolarHBondContact NE-O 3.49Å; R469-C502 PolarHBondContact NH1-O 2.74Å; C479-C502 HydrophobicContact CB-CB 3.7Å; C479-C502 WeakPolarHBondContact CB-SG 3.37Å; C479-C502 WeakPolarHBondContact SG-CB 3.39Å; C479-C502 CovalentContact SG-SG 2.03Å; C479-C502 PolarHBondContact SG-SG 3.11Å; A499-C502 WeakPolarHBondContact O-CB 3.3Å; A500-C502 PolarHBondContact O-N 3.14Å; A500-C502 VanDerWaalsContact O-N 3.17Å |
| 503 | L | 93.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -33.7 | 177.7 | -55 | 179.1 | 0 | 0 | 0 | 111.5 | L467 R469 A500 H501 Y509 A510 L515 Y540 A555 L557 | L467-L503 HydrophobicContact CD2-CD2 3.97Å; R469-L503 PolarHBondContact NH1-O 3.38Å; A500-L503 WeakPolarHBondContact O-CB 3.4Å; A500-L503 PolarHBondContact O-N 3.12Å; H501-L503 PolarHBondContact O-N 3.08Å; L503-Y509 HydrophobicContact CB-CD1 3.86Å; L503-Y509 HydrophobicContact CB-CE1 4.44Å; L503-A510 PolarHBondContact O-N 3.43Å; L503-L515 HydrophobicContact CD2-CD1 3.75Å; L503-L515 HydrophobicContact CD2-CD2 4.15Å; L503-Y540 HydrophobicContact CD1-CD1 4.44Å; L503-Y540 HydrophobicContact CD1-CD2 3.64Å; L503-Y540 HydrophobicContact CD1-CE2 4.17Å; L503-Y540 HydrophobicContact CD1-CG 3.83Å; L503-A555 HydrophobicContact CD1-CB 3.65Å; L503-L557 HydrophobicContact CD1-CD2 3.69Å; L503-L557 HydrophobicContact CD2-CD2 3.85Å; L503-L557 HydrophobicContact CG-CD2 4.32Å |
| 504 | Y | 89.2 | Confident | 89.8 | Confident | 78 Ų | 78 | 37.1 Ų | 37.1 | 31% | 0.306 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 133.6 | -177.6 | -169.2 | -105.5 | 0 | 0 | 0 | 114.1 | R469 A500 Y509 Y545 D547 | R469-Y504 PolarHBondContact NH1-O 2.88Å; A500-Y504 PolarHBondContact O-N 2.87Å; A500-Y504 VanDerWaalsContact O-N 3.07Å; Y504-Y509 HydrophobicContact CD2-CD1 4.23Å; Y504-Y509 AromaticContact CD2-CD2 3.97Å; Y504-Y509 HydrophobicContact CD2-CD2 3.97Å; Y504-Y509 HydrophobicContact CD2-CE1 4Å; Y504-Y509 AromaticContact CD2-CE2 3.7Å; Y504-Y509 HydrophobicContact CD2-CE2 3.7Å; Y504-Y509 HydrophobicContact CD2-CG 4.21Å; Y504-Y509 AromaticContact CD2-CZ 3.72Å; Y504-Y509 HydrophobicContact CE2-CE2 4.21Å; Y504-Y509 HydrophobicContact CG-CE1 4.41Å; Y504-Y545 HydrophobicContact CD1-CE1 4.28Å; Y504-Y545 HydrophobicContact CG-CE1 4.39Å; Y504-D547 HydrophobicContact CD1-CB 4.25Å; Y504-D547 HydrophobicContact CE1-CB 3.84Å |
| 505 | T | 79.7 | Confident | 89.8 | Confident | 39 Ų | 39 | 36.8 Ų | 36.8 | 24% | 0.239 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 172.2 | 172.2 | 69.8 | 0 | 0 | 0 | 0 | 110.1 | Y507 G508 | T505-Y507 PolarHBondContact O-N 3.44Å; T505-Y507 VanDerWaalsContact O-N 3.07Å; T505-Y507 PolarHBondContact OG1-N 2.95Å; T505-G508 WeakPolarHBondContact CA-O 3.48Å; T505-G508 WeakPolarHBondContact CB-O 3.49Å; T505-G508 PolarHBondContact N-O 3.27Å; T505-G508 PolarHBondContact O-N 2.83Å; T505-G508 PolarHBondContact OG1-O 2.83Å |
| 506 | E | 67.5 | Low | 89.7 | Confident | 35 Ų | 35 | 42.8 Ų | 42.8 | 16% | 0.164 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -20.1 | 165.7 | 49.5 | -161.2 | -160.7 | 0 | 0 | 115.2 | T169 Y220 | T169-E506 WeakPolarHBondContact CB-OE2 3.38Å; T169-E506 HydrophobicContact CG2-CB 3.65Å; T169-E506 PolarHBondContact N-OE2 2.79Å; T169-E506 WeakPolarHBondContact OG1-CB 3.48Å; T169-E506 PolarHBondContact OG1-OE2 3.36Å; Y220-E506 HydrophobicContact CD2-CB 3.75Å; Y220-E506 HydrophobicContact CD2-CG 4.24Å; Y220-E506 HydrophobicContact CE2-CB 3.67Å; Y220-E506 HydrophobicContact CG-CB 4.3Å; Y220-E506 HydrophobicContact CG-CG 4.49Å |
| 507 | Y | 71.9 | Confident | 89.5 | Confident | 135 Ų | 135 | 42.8 Ų | 42.8 | 53% | 0.529 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 17 | 176.3 | -52.3 | -62.4 | 0 | 0 | 0 | 112.8 | K216 T505 | K216-Y507 VanDerWaalsContact C-OH 3.26Å; K216-Y507 HydrophobicContact CB-CE2 4.49Å; K216-Y507 WeakPolarHBondContact CB-OH 3.34Å; K216-Y507 PolarHBondContact O-OH 3.19Å; T505-Y507 PolarHBondContact O-N 3.44Å; T505-Y507 VanDerWaalsContact O-N 3.07Å; T505-Y507 PolarHBondContact OG1-N 2.95Å |
| 508 | G | 82.4 | Confident | 89.4 | Confident | 23 Ų | 23 | 42.8 Ų | 42.8 | 24% | 0.237 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 85.6 | -164 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T505 | T505-G508 WeakPolarHBondContact CA-O 3.48Å; T505-G508 WeakPolarHBondContact CB-O 3.49Å; T505-G508 PolarHBondContact N-O 3.27Å; T505-G508 PolarHBondContact O-N 2.83Å; T505-G508 PolarHBondContact OG1-O 2.83Å |
| 509 | Y | 87.5 | Confident | 89.2 | Confident | 59 Ų | 59 | 42.8 Ų | 42.8 | 23% | 0.231 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 140.9 | -177.8 | -66.3 | -88.1 | 0 | 0 | 0 | 112.5 | L503 Y504 Y540 H542 | L503-Y509 HydrophobicContact CB-CD1 3.86Å; L503-Y509 HydrophobicContact CB-CE1 4.44Å; Y504-Y509 HydrophobicContact CD2-CD1 4.23Å; Y504-Y509 AromaticContact CD2-CD2 3.97Å; Y504-Y509 HydrophobicContact CD2-CD2 3.97Å; Y504-Y509 HydrophobicContact CD2-CE1 4Å; Y504-Y509 AromaticContact CD2-CE2 3.7Å; Y504-Y509 HydrophobicContact CD2-CE2 3.7Å; Y504-Y509 HydrophobicContact CD2-CG 4.21Å; Y504-Y509 AromaticContact CD2-CZ 3.72Å; Y504-Y509 HydrophobicContact CE2-CE2 4.21Å; Y504-Y509 HydrophobicContact CG-CE1 4.41Å; Y509-Y540 VanDerWaalsContact CB-OH 3.25Å; Y509-Y540 WeakPolarHBondContact CB-OH 3.32Å; Y509-Y540 HydrophobicContact CD1-CE2 4.41Å; Y509-H542 AromaticContact CD1-CD2 3.91Å; Y509-H542 AromaticContact CD2-NE2 3.71Å; Y509-H542 HydrophobicContact CE1-CB 4.37Å; Y509-H542 AromaticContact CE1-CD2 3.51Å; Y509-H542 AromaticContact CE1-CG 3.78Å; Y509-H542 AromaticContact CE1-NE2 3.92Å; Y509-H542 AromaticContact CE2-CD2 3.83Å; Y509-H542 AromaticContact CE2-CE1 3.55Å; Y509-H542 AromaticContact CE2-NE2 3.3Å; Y509-H542 VanDerWaalsContact CE2-NE2 3.3Å; Y509-H542 WeakPolarHBondContact CE2-NE2 3.45Å; Y509-H542 AromaticContact CZ-CD2 3.48Å; Y509-H542 VanDerWaalsContact CZ-CD2 3.48Å; Y509-H542 AromaticContact CZ-CE1 3.53Å; Y509-H542 AromaticContact CZ-CG 3.64Å; Y509-H542 AromaticContact CZ-ND1 3.66Å; Y509-H542 AromaticContact CZ-NE2 3.42Å; Y509-H542 PolarHBondContact OH-CE1 2.85Å; Y509-H542 PolarHBondContact OH-ND1 2.95Å |
| 510 | A | 88.3 | Confident | 88.9 | Confident | 6 Ų | 6 | 43 Ų | 43 | 5% | 0.05 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -72.2 | 131.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R469 L503 L515 Y540 | R469-A510 HydrophobicContact CG-CB 4.02Å; L503-A510 PolarHBondContact O-N 3.43Å; A510-L515 HydrophobicContact CB-CD2 4.23Å; A510-Y540 VanDerWaalsContact O-CE1 3.28Å; A510-Y540 WeakPolarHBondContact O-CE1 3.4Å; A510-Y540 PolarHBondContact O-OH 2.91Å; A510-Y540 VanDerWaalsContact O-OH 3.06Å |
| 511 | S | 90 | Very high | 88.6 | Confident | 62 Ų | 62 | 43.3 Ų | 43.3 | 43% | 0.434 | 21% | 0.208 | S | C | . | . | P | Polyproline II helix | trans | -51.7 | 140.1 | 169.7 | 172.4 | 0 | 0 | 0 | 0 | 112.1 | N513 R514 | S511-N513 VanDerWaalsContact CB-OD1 3.29Å; S511-N513 WeakPolarHBondContact CB-OD1 3.35Å; S511-N513 PolarHBondContact O-N 2.89Å; S511-N513 PolarHBondContact OG-OD1 2.88Å; S511-R514 WeakPolarHBondContact O-CB 3.27Å; S511-R514 PolarHBondContact O-N 2.53Å |
| 512 | T | 91.5 | Very high | 88.4 | Confident | 42 Ų | 42 | 41.6 Ų | 41.6 | 26% | 0.258 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -57.2 | -33.1 | -174.4 | 52 | 0 | 0 | 0 | 0 | 113.6 | R514 L515 V537 Y540 | T512-R514 PolarHBondContact O-N 2.86Å; T512-R514 VanDerWaalsContact O-N 3.13Å; T512-L515 WeakPolarHBondContact O-CB 3.46Å; T512-L515 PolarHBondContact O-N 2.87Å; T512-V537 HydrophobicContact CG2-CG1 4.2Å; T512-Y540 HydrophobicContact CG2-CD1 3.79Å; T512-Y540 HydrophobicContact CG2-CE1 3.81Å |
| 513 | N | 90.5 | Very high | 88 | Confident | 121 Ų | 121 | 43.2 Ų | 43.2 | 65% | 0.647 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -63.5 | -13.6 | 175.3 | 70.2 | -17.7 | 0 | 0 | 0 | 114.9 | S511 | S511-N513 VanDerWaalsContact CB-OD1 3.29Å; S511-N513 WeakPolarHBondContact CB-OD1 3.35Å; S511-N513 PolarHBondContact O-N 2.89Å; S511-N513 PolarHBondContact OG-OD1 2.88Å |
| 514 | R | 90 | Very high | 87.6 | Confident | 126 Ų | 126 | 44.9 Ų | 44.9 | 48% | 0.475 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -94.7 | 1 | 172.5 | -64.3 | -171.5 | -176 | 157.6 | 7.4 | 113.4 | R469 Q470 S511 T512 | R469-R514 CarbonylContact C-O 3.6Å; R469-R514 WeakPolarHBondContact CA-O 3.4Å; Q470-R514 HydrophobicContact CB-CB 4.14Å; Q470-R514 PolarHBondContact N-O 2.88Å; S511-R514 WeakPolarHBondContact O-CB 3.27Å; S511-R514 PolarHBondContact O-N 2.53Å; T512-R514 PolarHBondContact O-N 2.86Å; T512-R514 VanDerWaalsContact O-N 3.13Å |
| 515 | L | 94 | Very high | 87.1 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 123.6 | -175 | -55.9 | 178.8 | 0 | 0 | 0 | 110.6 | R469 L503 A510 T512 V537 Y540 | R469-L515 HydrophobicContact CB-CD2 3.69Å; R469-L515 HydrophobicContact CG-CD2 3.79Å; L503-L515 HydrophobicContact CD2-CD1 3.75Å; L503-L515 HydrophobicContact CD2-CD2 4.15Å; A510-L515 HydrophobicContact CB-CD2 4.23Å; T512-L515 WeakPolarHBondContact O-CB 3.46Å; T512-L515 PolarHBondContact O-N 2.87Å; L515-V537 HydrophobicContact CB-CB 3.87Å; L515-V537 HydrophobicContact CB-CG2 3.52Å; L515-V537 HydrophobicContact CD1-CB 4.3Å; L515-V537 HydrophobicContact CD1-CG1 4.33Å; L515-V537 HydrophobicContact CD1-CG2 4.25Å; L515-V537 PolarHBondContact O-N 2.88Å; L515-Y540 HydrophobicContact CD1-CD1 3.82Å; L515-Y540 HydrophobicContact CD1-CE1 3.9Å |
| 516 | R | 94.1 | Very high | 86.7 | Confident | 127 Ų | 127 | 46.1 Ų | 46.1 | 48% | 0.479 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 145.3 | 168.4 | -64.1 | -173.7 | -177.9 | -167.4 | 1.8 | 109.4 | M468 I535 | M468-R516 PolarHBondContact N-O 2.91Å; M468-R516 PolarHBondContact O-N 3.44Å; R516-I535 CarbonylContact C-O 3.56Å; R516-I535 WeakPolarHBondContact CA-O 3.48Å |
| 517 | V | 95.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 125.2 | 173.6 | 178.8 | 0 | 0 | 0 | 0 | 108 | V465 R466 L467 V496 V519 Y534 I535 V537 L557 L559 | V465-V517 HydrophobicContact CB-CG1 3.55Å; V465-V517 HydrophobicContact CG1-CG1 4.07Å; V465-V517 HydrophobicContact CG2-CG1 3.58Å; R466-V517 WeakPolarHBondContact O-CA 3.46Å; L467-V517 HydrophobicContact CD1-CG2 4.01Å; V496-V517 HydrophobicContact CG2-CG1 4.31Å; V517-V519 HydrophobicContact CG1-CG1 3.91Å; V517-Y534 CarbonylContact O-C 3.54Å; V517-Y534 WeakPolarHBondContact O-CA 3.26Å; V517-I535 PolarHBondContact N-O 3.36Å; V517-I535 PolarHBondContact O-N 2.98Å; V517-V537 HydrophobicContact CG2-CG2 4.12Å; V517-L557 HydrophobicContact CG2-CD1 3.91Å; V517-L559 HydrophobicContact CB-CD2 3.87Å; V517-L559 HydrophobicContact CG1-CD2 4.4Å; V517-L559 HydrophobicContact CG2-CD2 3.75Å |
| 518 | L | 94.2 | Very high | 85.3 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 122.6 | 169.5 | 174.1 | 62.6 | 0 | 0 | 0 | 108.9 | V465 R466 A521 L524 Q532 M533 Y534 | V465-L518 WeakPolarHBondContact CA-O 3.43Å; V465-L518 WeakPolarHBondContact CB-O 3.42Å; R466-L518 HydrophobicContact CB-CB 4.27Å; R466-L518 PolarHBondContact N-O 3.21Å; R466-L518 PolarHBondContact O-N 3.47Å; L518-A521 HydrophobicContact CD1-CB 4.44Å; L518-A521 HydrophobicContact CD2-CB 3.86Å; L518-A521 HydrophobicContact CG-CB 3.95Å; L518-L524 HydrophobicContact CD2-CD2 3.49Å; L518-L524 VanDerWaalsContact CD2-CD2 3.49Å; L518-Q532 HydrophobicContact CD1-CB 4.03Å; L518-Q532 HydrophobicContact CD1-CG 4.33Å; L518-M533 WeakPolarHBondContact CA-O 3.5Å; L518-Y534 HydrophobicContact CB-CD1 3.95Å; L518-Y534 HydrophobicContact CB-CE1 3.79Å; L518-Y534 HydrophobicContact CD1-CD1 4.18Å; L518-Y534 HydrophobicContact CD1-CD2 4.19Å; L518-Y534 HydrophobicContact CD1-CE1 4.06Å; L518-Y534 HydrophobicContact CD1-CE2 4.06Å; L518-Y534 HydrophobicContact CD1-CG 4.26Å; L518-Y534 HydrophobicContact CD2-CE1 4.12Å; L518-Y534 HydrophobicContact CG-CE1 4.21Å |
| 519 | V | 93.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 158.2 | 176.7 | -50.5 | 0 | 0 | 0 | 0 | 110.8 | V465 L483 V517 A521 Q532 M533 I535 V563 T569 | V465-V519 HydrophobicContact CB-CG1 4.35Å; V465-V519 HydrophobicContact CG1-CB 4.36Å; V465-V519 HydrophobicContact CG1-CG1 3.7Å; L483-V519 HydrophobicContact CD2-CG1 4.39Å; V517-V519 HydrophobicContact CG1-CG1 3.91Å; V519-A521 PolarHBondContact O-N 3.15Å; V519-Q532 WeakPolarHBondContact O-CA 3.44Å; V519-M533 HydrophobicContact CG2-CB 3.92Å; V519-M533 HydrophobicContact CG2-CE 4.14Å; V519-M533 PolarHBondContact N-O 2.88Å; V519-M533 PolarHBondContact O-N 3.48Å; V519-M533 VanDerWaalsContact O-N 3.11Å; V519-I535 HydrophobicContact CG1-CD1 4.2Å; V519-I535 HydrophobicContact CG2-CD1 4.02Å; V519-V563 HydrophobicContact CG1-CG2 4.18Å; V519-V563 HydrophobicContact CG2-CG1 4.16Å; V519-V563 HydrophobicContact CG2-CG2 4.3Å; V519-T569 HydrophobicContact CB-CG2 4.17Å; V519-T569 HydrophobicContact CG2-CG2 3.96Å |
| 520 | G | 90.4 | Very high | 83.7 | Confident | 4 Ų | 4 | 56.8 Ų | 56.8 | 4% | 0.041 | 30% | 0.302 | C | S | . | . | S | Bend | trans | 72.8 | 3.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | H459 S531 | H459-G520 PolarHBondContact CE1-O 3.24Å; H459-G520 PolarHBondContact ND1-O 3.41Å; G520-S531 WeakPolarHBondContact CA-O 3.29Å; G520-S531 WeakPolarHBondContact O-CB 3.46Å; G520-S531 PolarHBondContact O-OG 2.98Å |
| 521 | A | 90.8 | Very high | 83.2 | Confident | 6 Ų | 6 | 57.6 Ų | 57.6 | 5% | 0.05 | 31% | 0.307 | C | S | . | . | trans | -79.3 | 146.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L518 V519 L524 E529 Q532 W592 | L518-A521 HydrophobicContact CD1-CB 4.44Å; L518-A521 HydrophobicContact CD2-CB 3.86Å; L518-A521 HydrophobicContact CG-CB 3.95Å; V519-A521 PolarHBondContact O-N 3.15Å; A521-L524 HydrophobicContact CB-CD2 4.22Å; A521-E529 WeakPolarHBondContact CA-OE2 3.36Å; A521-Q532 HydrophobicContact CB-CG 3.7Å; A521-W592 HydrophobicContact CB-CZ2 4.1Å; A521-W592 WeakPolarHBondContact O-CZ2 3.3Å | ||
| 522 | H | 87.5 | Confident | 83 | Confident | 5 Ų | 5 | 56.6 Ų | 56.6 | 2% | 0.023 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -117.6 | -57.1 | 159.9 | -178.5 | 76.4 | 0 | 0 | 0 | 111.2 | E455 A456 P458 E529 W592 L604 L605 | E455-H522 IonicContact OE1-CE1 3.86Å; E455-H522 IonicContact OE1-NE2 2.64Å; E455-H522 PolarHBondContact OE1-NE2 3.14Å; A456-H522 PolarHBondContact O-CE1 3.27Å; P458-H522 HydrophobicContact CB-CB 4.44Å; H522-E529 PolarHBondContact N-OE2 3.41Å; H522-W592 PolarHBondContact O-NE1 3.04Å; H522-W592 VanDerWaalsContact O-NE1 3.15Å; H522-L604 CarbonylContact O-C 3.48Å; H522-L604 WeakPolarHBondContact O-CA 3.44Å; H522-L605 PolarHBondContact O-N 3Å |
| 523 | D | 86.3 | Confident | 82.7 | Confident | 36 Ų | 36 | 56.8 Ų | 56.8 | 19% | 0.193 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -100.5 | 111.7 | 173.5 | -167 | 1.1 | 0 | 0 | 0 | 112.4 | N525 S526 E529 Q532 T603 L604 | D523-N525 PolarHBondContact O-N 2.91Å; D523-N525 WeakPolarHBondContact OD1-CB 3.24Å; D523-N525 PolarHBondContact OD1-N 3.04Å; D523-S526 WeakPolarHBondContact O-CB 3.44Å; D523-S526 PolarHBondContact O-N 3.4Å; D523-E529 PolarHBondContact N-OE1 3.06Å; D523-Q532 PolarHBondContact O-NE2 3.08Å; D523-T603 PolarHBondContact OD1-OG1 2.94Å; D523-L604 HydrophobicContact CB-CD2 3.5Å; D523-L604 VanDerWaalsContact CG-CD2 3.45Å |
| 524 | L | 84.3 | Confident | 82.7 | Confident | 36 Ų | 36 | 55.7 Ų | 55.7 | 19% | 0.188 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -13.1 | 176.8 | -58.6 | 172.9 | 0 | 0 | 0 | 114 | R466 L518 A521 W592 T603 | R466-L524 VanDerWaalsContact CZ-CD1 3.42Å; L518-L524 HydrophobicContact CD2-CD2 3.49Å; L518-L524 VanDerWaalsContact CD2-CD2 3.49Å; A521-L524 HydrophobicContact CB-CD2 4.22Å; L524-W592 HydrophobicContact CD1-CB 4Å; L524-W592 HydrophobicContact CD1-CD2 4.09Å; L524-W592 HydrophobicContact CD1-CG 3.58Å; L524-W592 HydrophobicContact CD2-CZ2 4.38Å; L524-W592 HydrophobicContact CG-CG 4.3Å; L524-T603 WeakPolarHBondContact CB-O 3.24Å; L524-T603 VanDerWaalsContact CG-O 3.26Å; L524-T603 WeakPolarHBondContact CG-O 3.45Å; L524-T603 PolarHBondContact N-O 3.41Å |
| 525 | N | 78.3 | Confident | 82.9 | Confident | 110 Ų | 110 | 49.8 Ų | 49.8 | 59% | 0.588 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -16.3 | 170 | -64.6 | -27.1 | 0 | 0 | 0 | 112.7 | D523 N527 T603 | D523-N525 PolarHBondContact O-N 2.91Å; D523-N525 WeakPolarHBondContact OD1-CB 3.24Å; D523-N525 PolarHBondContact OD1-N 3.04Å; N525-N527 PolarHBondContact O-N 3.45Å; N525-T603 WeakPolarHBondContact ND2-CB 3.3Å; N525-T603 WeakPolarHBondContact ND2-CG2 3.41Å; N525-T603 PolarHBondContact ND2-OG1 3.4Å; N525-T603 VanDerWaalsContact ND2-OG1 3.15Å; N525-T603 WeakPolarHBondContact OD1-CG2 3.36Å |
| 526 | S | 72.3 | Confident | 82.9 | Confident | 32 Ų | 32 | 50.3 Ų | 50.3 | 22% | 0.224 | 27% | 0.265 | C | S | . | . | trans | -85.4 | 92.1 | -175.3 | -173.7 | 0 | 0 | 0 | 0 | 110.7 | D523 K528 E529 | D523-S526 WeakPolarHBondContact O-CB 3.44Å; D523-S526 PolarHBondContact O-N 3.4Å; S526-K528 PolarHBondContact O-N 3.43Å; S526-E529 PolarHBondContact O-N 3.16Å; S526-E529 PolarHBondContact OG-N 3.13Å | ||
| 527 | N | 58.7 | Low | 83 | Confident | 151 Ų | 151 | 44.3 Ų | 44.3 | 81% | 0.807 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 14.8 | 165.7 | 65.8 | -15.6 | 0 | 0 | 0 | 113.9 | N525 | N525-N527 PolarHBondContact O-N 3.45Š|
| 528 | K | 50.3 | Low | 82.9 | Confident | 182 Ų | 182 | 47.8 Ų | 47.8 | 79% | 0.791 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123 | -2.1 | -179.1 | -63.7 | -171.5 | 178.7 | -173.5 | 0 | 113.9 | S526 A530 | S526-K528 PolarHBondContact O-N 3.43Å; K528-A530 PolarHBondContact O-N 2.86Å |
| 529 | E | 72.2 | Confident | 82.9 | Confident | 33 Ų | 33 | 51 Ų | 51 | 15% | 0.154 | 28% | 0.275 | C | S | . | . | trans | -71.7 | 98.1 | 171.7 | -80.5 | -179.5 | -169.9 | 0 | 0 | 109.5 | H459 A521 H522 D523 S526 S531 Q532 | H459-E529 IonicContact CE1-OE1 2.7Å; H459-E529 IonicContact CE1-OE2 3.61Å; H459-E529 PolarHBondContact CE1-OE2 3.3Å; A521-E529 WeakPolarHBondContact CA-OE2 3.36Å; H522-E529 PolarHBondContact N-OE2 3.41Å; D523-E529 PolarHBondContact N-OE1 3.06Å; S526-E529 PolarHBondContact O-N 3.16Å; S526-E529 PolarHBondContact OG-N 3.13Å; E529-S531 PolarHBondContact O-N 2.88Å; E529-Q532 HydrophobicContact CB-CG 3.71Å; E529-Q532 WeakPolarHBondContact O-CB 3.43Å; E529-Q532 PolarHBondContact O-N 2.77Å; E529-Q532 PolarHBondContact OE2-NE2 3.34Å | ||
| 530 | A | 64.8 | Low | 82.9 | Confident | 111 Ų | 111 | 53.1 Ų | 53.1 | 92% | 0.917 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -10.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | K528 | K528-A530 PolarHBondContact O-N 2.86Š|
| 531 | S | 77.6 | Confident | 83.1 | Confident | 22 Ų | 22 | 55 Ų | 55 | 15% | 0.154 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -13.7 | 171.9 | 57.4 | 0 | 0 | 0 | 0 | 114.1 | H459 G520 E529 Y568 | H459-S531 PolarHBondContact CE1-OG 2.87Å; G520-S531 WeakPolarHBondContact CA-O 3.29Å; G520-S531 WeakPolarHBondContact O-CB 3.46Å; G520-S531 PolarHBondContact O-OG 2.98Å; E529-S531 PolarHBondContact O-N 2.88Å; S531-Y568 VanDerWaalsContact CB-CG 3.45Å |
| 532 | Q | 85.8 | Confident | 83.3 | Confident | 42 Ų | 42 | 57.3 Ų | 57.3 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | trans | -72.7 | 127.2 | -179.2 | -73.9 | -168.3 | 21.5 | 0 | 0 | 111.2 | L518 V519 A521 D523 E529 | L518-Q532 HydrophobicContact CD1-CB 4.03Å; L518-Q532 HydrophobicContact CD1-CG 4.33Å; V519-Q532 WeakPolarHBondContact O-CA 3.44Å; A521-Q532 HydrophobicContact CB-CG 3.7Å; D523-Q532 PolarHBondContact O-NE2 3.08Å; E529-Q532 HydrophobicContact CB-CG 3.71Å; E529-Q532 WeakPolarHBondContact O-CB 3.43Å; E529-Q532 PolarHBondContact O-N 2.77Å; E529-Q532 PolarHBondContact OE2-NE2 3.34Å | ||
| 533 | M | 86.5 | Confident | 83.5 | Confident | 45 Ų | 45 | 60.1 Ų | 60.1 | 22% | 0.222 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 122.4 | 176.2 | 177 | 167.8 | 45.5 | 0 | 0 | 110.8 | L518 V519 I535 R561 | L518-M533 WeakPolarHBondContact CA-O 3.5Å; V519-M533 HydrophobicContact CG2-CB 3.92Å; V519-M533 HydrophobicContact CG2-CE 4.14Å; V519-M533 PolarHBondContact N-O 2.88Å; V519-M533 PolarHBondContact O-N 3.48Å; V519-M533 VanDerWaalsContact O-N 3.11Å; M533-I535 HydrophobicContact CE-CD1 3.97Å; M533-I535 HydrophobicContact CG-CD1 4.16Å; M533-I535 HydrophobicContact CG-CG1 3.77Å; M533-I535 HydrophobicContact SD-CD1 4.26Å; M533-I535 HydrophobicContact SD-CG1 4.26Å; M533-R561 VanDerWaalsContact CG-NH2 3.26Å; M533-R561 PolarHBondContact SD-NE 2.84Å; M533-R561 VanDerWaalsContact SD-NE 3.37Å; M533-R561 PolarHBondContact SD-NH2 3.33Å |
| 534 | Y | 90.4 | Very high | 83.7 | Confident | 98 Ų | 98 | 63 Ų | 63 | 38% | 0.384 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 136.3 | 168.3 | -72 | -80 | 0 | 0 | 0 | 110.4 | M468 V517 L518 R561 | M468-Y534 HydrophobicContact SD-CE1 3.79Å; V517-Y534 CarbonylContact O-C 3.54Å; V517-Y534 WeakPolarHBondContact O-CA 3.26Å; L518-Y534 HydrophobicContact CB-CD1 3.95Å; L518-Y534 HydrophobicContact CB-CE1 3.79Å; L518-Y534 HydrophobicContact CD1-CD1 4.18Å; L518-Y534 HydrophobicContact CD1-CD2 4.19Å; L518-Y534 HydrophobicContact CD1-CE1 4.06Å; L518-Y534 HydrophobicContact CD1-CE2 4.06Å; L518-Y534 HydrophobicContact CD1-CG 4.26Å; L518-Y534 HydrophobicContact CD2-CE1 4.12Å; L518-Y534 HydrophobicContact CG-CE1 4.21Å; Y534-R561 PolarHBondContact O-NH2 2.94Å |
| 535 | I | 93.1 | Very high | 84 | Confident | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 129.3 | -177.7 | -49.3 | 174.5 | 0 | 0 | 0 | 109 | R516 V517 V519 M533 L559 R561 V563 | R516-I535 CarbonylContact C-O 3.56Å; R516-I535 WeakPolarHBondContact CA-O 3.48Å; V517-I535 PolarHBondContact N-O 3.36Å; V517-I535 PolarHBondContact O-N 2.98Å; V519-I535 HydrophobicContact CG1-CD1 4.2Å; V519-I535 HydrophobicContact CG2-CD1 4.02Å; M533-I535 HydrophobicContact CE-CD1 3.97Å; M533-I535 HydrophobicContact CG-CD1 4.16Å; M533-I535 HydrophobicContact CG-CG1 3.77Å; M533-I535 HydrophobicContact SD-CD1 4.26Å; M533-I535 HydrophobicContact SD-CG1 4.26Å; I535-L559 HydrophobicContact CB-CD2 4.49Å; I535-L559 HydrophobicContact CD1-CD1 4.18Å; I535-L559 HydrophobicContact CG2-CB 3.92Å; I535-L559 HydrophobicContact CG2-CD2 4.29Å; I535-L559 HydrophobicContact CG2-CG 4.48Å; I535-R561 HydrophobicContact CG1-CG 4.49Å; I535-R561 HydrophobicContact CG2-CG 3.75Å; I535-V563 HydrophobicContact CD1-CG2 3.41Å; I535-V563 VanDerWaalsContact CD1-CG2 3.41Å |
| 536 | G | 94.3 | Very high | 84.4 | Confident | 13 Ų | 13 | 59.8 Ų | 59.8 | 13% | 0.134 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 155.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q560 | G536-Q560 WeakPolarHBondContact O-CB 3.26Å; G536-Q560 WeakPolarHBondContact O-CG 3.11Å; G536-Q560 PolarHBondContact O-N 2.88Å |
| 537 | V | 95.5 | Very high | 85 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 133.5 | 171.5 | 179.7 | 0 | 0 | 0 | 0 | 109.3 | T512 L515 V517 N539 Y540 L557 Q558 Q560 | T512-V537 HydrophobicContact CG2-CG1 4.2Å; L515-V537 HydrophobicContact CB-CB 3.87Å; L515-V537 HydrophobicContact CB-CG2 3.52Å; L515-V537 HydrophobicContact CD1-CB 4.3Å; L515-V537 HydrophobicContact CD1-CG1 4.33Å; L515-V537 HydrophobicContact CD1-CG2 4.25Å; L515-V537 PolarHBondContact O-N 2.88Å; V517-V537 HydrophobicContact CG2-CG2 4.12Å; V537-N539 WeakPolarHBondContact CG1-O 3.45Å; V537-Y540 HydrophobicContact CG1-CD1 4.39Å; V537-L557 HydrophobicContact CG1-CB 4.19Å; V537-L557 HydrophobicContact CG2-CB 4.46Å; V537-L557 HydrophobicContact CG2-CD1 4.09Å; V537-Q558 WeakPolarHBondContact CG1-O 3.39Å; V537-Q560 PolarHBondContact O-NE2 3.47Å |
| 538 | K | 93.5 | Very high | 86 | Confident | 74 Ų | 74 | 59.3 Ų | 59.3 | 32% | 0.322 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | -50.9 | 174.3 | -177.6 | 172.3 | -177.1 | 169.1 | 0 | 110.6 | Q558 Q560 S699 T701 | K538-Q558 HydrophobicContact CB-CG 4.34Å; K538-Q558 PolarHBondContact N-O 3.16Å; K538-Q560 HydrophobicContact CB-CG 4.12Å; K538-S699 PolarHBondContact NZ-OG 2.72Å; K538-T701 PolarHBondContact NZ-OG1 2.8Å; K538-T701 VanDerWaalsContact NZ-OG1 3.09Å |
| 539 | N | 93.9 | Very high | 87.4 | Confident | 69 Ų | 69 | 53.3 Ų | 53.3 | 37% | 0.369 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 166.8 | -179.5 | -161 | 5.8 | 0 | 0 | 0 | 110.1 | V537 Q558 M695 | V537-N539 WeakPolarHBondContact CG1-O 3.45Å; N539-Q558 HydrophobicContact CB-CB 4.34Å; N539-Q558 PolarHBondContact N-O 2.95Å; N539-Q558 PolarHBondContact O-N 2.97Å; N539-M695 HydrophobicContact CB-SD 4.34Å |
| 540 | Y | 94.9 | Very high | 88.1 | Confident | 43 Ų | 43 | 54 Ų | 54 | 17% | 0.169 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 167.7 | 168.4 | 63.4 | -100.2 | 0 | 0 | 0 | 111.4 | L503 Y509 A510 T512 L515 V537 V556 L557 | L503-Y540 HydrophobicContact CD1-CD1 4.44Å; L503-Y540 HydrophobicContact CD1-CD2 3.64Å; L503-Y540 HydrophobicContact CD1-CE2 4.17Å; L503-Y540 HydrophobicContact CD1-CG 3.83Å; Y509-Y540 VanDerWaalsContact CB-OH 3.25Å; Y509-Y540 WeakPolarHBondContact CB-OH 3.32Å; Y509-Y540 HydrophobicContact CD1-CE2 4.41Å; A510-Y540 VanDerWaalsContact O-CE1 3.28Å; A510-Y540 WeakPolarHBondContact O-CE1 3.4Å; A510-Y540 PolarHBondContact O-OH 2.91Å; A510-Y540 VanDerWaalsContact O-OH 3.06Å; T512-Y540 HydrophobicContact CG2-CD1 3.79Å; T512-Y540 HydrophobicContact CG2-CE1 3.81Å; L515-Y540 HydrophobicContact CD1-CD1 3.82Å; L515-Y540 HydrophobicContact CD1-CE1 3.9Å; V537-Y540 HydrophobicContact CG1-CD1 4.39Å; Y540-V556 CarbonylContact C-O 3.57Å; Y540-V556 WeakPolarHBondContact CA-O 3.36Å; Y540-V556 VanDerWaalsContact CB-O 3.26Å; Y540-V556 WeakPolarHBondContact CB-O 3.35Å; Y540-L557 HydrophobicContact CG-CD2 4.37Å |
| 541 | M | 94.6 | Very high | 89.2 | Confident | 43 Ų | 43 | 51 Ų | 51 | 21% | 0.212 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 155.3 | 171.4 | 58.4 | -174.2 | -81.9 | 0 | 0 | 111.4 | A555 V556 W687 G691 M695 | M541-A555 CarbonylContact O-C 3.51Å; M541-A555 WeakPolarHBondContact O-CA 3.44Å; M541-A555 WeakPolarHBondContact O-CB 3.38Å; M541-V556 HydrophobicContact CG-CB 4.24Å; M541-V556 PolarHBondContact N-O 2.67Å; M541-V556 PolarHBondContact O-N 3.24Å; M541-W687 HydrophobicContact CB-CZ2 4.39Å; M541-W687 HydrophobicContact CE-CD2 4.13Å; M541-W687 HydrophobicContact CE-CG 4.48Å; M541-W687 HydrophobicContact CE-CH2 4.3Å; M541-W687 HydrophobicContact CE-CZ2 3.4Å; M541-W687 VanDerWaalsContact CE-NE1 3.27Å; M541-W687 HydrophobicContact CG-CH2 4.39Å; M541-W687 HydrophobicContact CG-CZ2 4.01Å; M541-G691 WeakPolarHBondContact SD-CA 3.2Å; M541-M695 HydrophobicContact CG-CE 3.88Å; M541-M695 HydrophobicContact CG-SD 4.21Å; M541-M695 HydrophobicContact SD-CE 3.84Å; M541-M695 HydrophobicContact SD-SD 4.34Å |
| 542 | H | 94 | Very high | 89.9 | Confident | 56 Ų | 56 | 51.1 Ų | 51.1 | 26% | 0.259 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 156.8 | 177.9 | 60.3 | 79 | 0 | 0 | 0 | 110 | A500 Y509 S544 I554 A555 | A500-H542 HydrophobicContact CB-CB 3.97Å; Y509-H542 AromaticContact CD1-CD2 3.91Å; Y509-H542 AromaticContact CD2-NE2 3.71Å; Y509-H542 HydrophobicContact CE1-CB 4.37Å; Y509-H542 AromaticContact CE1-CD2 3.51Å; Y509-H542 AromaticContact CE1-CG 3.78Å; Y509-H542 AromaticContact CE1-NE2 3.92Å; Y509-H542 AromaticContact CE2-CD2 3.83Å; Y509-H542 AromaticContact CE2-CE1 3.55Å; Y509-H542 AromaticContact CE2-NE2 3.3Å; Y509-H542 VanDerWaalsContact CE2-NE2 3.3Å; Y509-H542 WeakPolarHBondContact CE2-NE2 3.45Å; Y509-H542 AromaticContact CZ-CD2 3.48Å; Y509-H542 VanDerWaalsContact CZ-CD2 3.48Å; Y509-H542 AromaticContact CZ-CE1 3.53Å; Y509-H542 AromaticContact CZ-CG 3.64Å; Y509-H542 AromaticContact CZ-ND1 3.66Å; Y509-H542 AromaticContact CZ-NE2 3.42Å; Y509-H542 PolarHBondContact OH-CE1 2.85Å; Y509-H542 PolarHBondContact OH-ND1 2.95Å; H542-S544 VanDerWaalsContact C-N 3.28Å; H542-S544 PolarHBondContact ND1-N 3Å; H542-S544 PolarHBondContact O-N 2.88Å; H542-S544 VanDerWaalsContact O-N 3.11Å; H542-I554 WeakPolarHBondContact CA-O 3.49Å; H542-A555 HydrophobicContact CB-CB 4.04Å |
| 543 | H | 92.6 | Very high | 90.3 | Very high | 63 Ų | 63 | 49.2 Ų | 49.2 | 29% | 0.292 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -89.4 | 51.9 | -174.8 | -162.3 | 76.9 | 0 | 0 | 0 | 112.8 | Y545 N552 I554 Y684 W687 | H543-Y545 PolarHBondContact O-N 2.98Å; H543-N552 HydrophobicContact CB-CB 4.2Å; H543-N552 WeakPolarHBondContact O-CB 3.47Å; H543-N552 PolarHBondContact O-ND2 3.23Å; H543-I554 HydrophobicContact CB-CG2 3.84Å; H543-I554 PolarHBondContact N-O 3.04Å; H543-Y684 HydrophobicContact CB-CD1 4.33Å; H543-Y684 HydrophobicContact CB-CE1 4.42Å; H543-Y684 AromaticContact CD2-CD1 3.9Å; H543-Y684 AromaticContact CD2-CE1 3.6Å; H543-W687 HydrophobicContact CB-CD2 3.94Å; H543-W687 HydrophobicContact CB-CE3 4.2Å; H543-W687 HydrophobicContact CB-CH2 4.19Å; H543-W687 HydrophobicContact CB-CZ2 3.9Å; H543-W687 HydrophobicContact CB-CZ3 4.32Å; H543-W687 AromaticContact CE1-CD1 3.71Å; H543-W687 AromaticContact CE1-CG 3.79Å; H543-W687 AromaticContact CG-CD2 3.99Å; H543-W687 AromaticContact ND1-CD1 3.04Å; H543-W687 AromaticContact ND1-CD2 3.38Å; H543-W687 AromaticContact ND1-CE2 3.52Å; H543-W687 AromaticContact ND1-CG 3.1Å; H543-W687 AromaticContact ND1-NE1 3.23Å; H543-W687 PolarHBondContact ND1-NE1 2.79Å |
| 544 | S | 90.4 | Very high | 90.8 | Very high | 96 Ų | 96 | 47 Ų | 47 | 67% | 0.671 | 24% | 0.241 | S | C | * | . | trans | 53.4 | 48.5 | -176.5 | -57.4 | 0 | 0 | 0 | 0 | 113.7 | H542 N546 | H542-S544 VanDerWaalsContact C-N 3.28Å; H542-S544 PolarHBondContact ND1-N 3Å; H542-S544 PolarHBondContact O-N 2.88Å; H542-S544 VanDerWaalsContact O-N 3.11Å; S544-N546 PolarHBondContact O-N 2.85Å | ||
| 545 | Y | 90.5 | Very high | 91.2 | Very high | 20 Ų | 20 | 42.4 Ų | 42.4 | 8% | 0.078 | 22% | 0.223 | C | C | . | . | trans | -54.4 | 135.4 | 176.7 | 167 | -108.3 | 0 | 0 | 0 | 112.5 | A500 H501 Y504 H543 D547 K550 N552 D553 | A500-Y545 VanDerWaalsContact CB-CB 3.42Å; A500-Y545 HydrophobicContact CB-CD1 4.11Å; A500-Y545 HydrophobicContact CB-CD2 4.28Å; A500-Y545 HydrophobicContact CB-CG 3.68Å; H501-Y545 HydrophobicContact CB-CE1 3.95Å; H501-Y545 HydrophobicContact CB-CE2 4.46Å; Y504-Y545 HydrophobicContact CD1-CE1 4.28Å; Y504-Y545 HydrophobicContact CG-CE1 4.39Å; H543-Y545 PolarHBondContact O-N 2.98Å; Y545-D547 HydrophobicContact CE1-CB 3.86Å; Y545-D547 PolarHBondContact OH-OD1 2.73Å; Y545-K550 HydrophobicContact CE2-CD 4.32Å; Y545-K550 WeakPolarHBondContact OH-CD 3.2Å; Y545-K550 PolarHBondContact OH-NZ 3.02Å; Y545-N552 WeakPolarHBondContact CB-O 3.43Å; Y545-D553 VanDerWaalsContact CD2-CA 3.47Å; Y545-D553 HydrophobicContact CD2-CB 3.61Å; Y545-D553 HydrophobicContact CE2-CB 3.62Å | ||
| 546 | N | 86 | Confident | 91.4 | Very high | 59 Ų | 59 | 42.3 Ų | 42.3 | 32% | 0.316 | 22% | 0.222 | S | C | . | . | trans | -112.7 | 115.5 | 177.8 | -179.5 | -17.8 | 0 | 0 | 0 | 109.7 | S544 D548 T549 K550 E551 | S544-N546 PolarHBondContact O-N 2.85Å; N546-D548 VanDerWaalsContact C-N 3.3Å; N546-D548 PolarHBondContact O-N 2.8Å; N546-D548 PolarHBondContact OD1-N 2.83Å; N546-T549 VanDerWaalsContact CB-OG1 3.32Å; N546-T549 WeakPolarHBondContact CB-OG1 3.38Å; N546-T549 PolarHBondContact ND2-OG1 3.48Å; N546-T549 VanDerWaalsContact ND2-OG1 3.14Å; N546-T549 PolarHBondContact OD1-N 2.85Å; N546-K550 VanDerWaalsContact O-CA 3.24Å; N546-K550 WeakPolarHBondContact O-CA 3.44Å; N546-K550 PolarHBondContact O-N 3.2Å; N546-E551 HydrophobicContact CB-CG 4.44Å; N546-E551 PolarHBondContact N-O 2.93Å; N546-E551 VanDerWaalsContact N-O 3.16Å | ||
| 547 | D | 85.5 | Confident | 91.5 | Very high | 33 Ų | 33 | 41.7 Ų | 41.7 | 18% | 0.176 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -20.6 | -176.4 | -162.9 | 60.2 | 0 | 0 | 0 | 113.7 | Y504 Y545 K550 | Y504-D547 HydrophobicContact CD1-CB 4.25Å; Y504-D547 HydrophobicContact CE1-CB 3.84Å; Y545-D547 HydrophobicContact CE1-CB 3.86Å; Y545-D547 PolarHBondContact OH-OD1 2.73Å; D547-K550 VanDerWaalsContact CG-NZ 3.25Å; D547-K550 WeakPolarHBondContact O-CD 3.43Å; D547-K550 VanDerWaalsContact O-CE 3.22Å; D547-K550 WeakPolarHBondContact O-CE 3.13Å; D547-K550 PolarHBondContact O-NZ 3.19Å; D547-K550 IonicContact OD1-NZ 3.58Å; D547-K550 PolarHBondContact OD1-NZ 3.49Å; D547-K550 IonicContact OD2-NZ 2.82Å |
| 548 | D | 79.3 | Confident | 91.5 | Very high | 140 Ų | 140 | 41.8 Ų | 41.8 | 75% | 0.749 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82 | -43.6 | 178.1 | -69.3 | -42.7 | 0 | 0 | 0 | 111.9 | N546 | N546-D548 VanDerWaalsContact C-N 3.3Å; N546-D548 PolarHBondContact O-N 2.8Å; N546-D548 PolarHBondContact OD1-N 2.83Å |
| 549 | T | 81 | Confident | 91.7 | Very high | 57 Ų | 57 | 38.2 Ų | 38.2 | 35% | 0.35 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -16.8 | -178.7 | 60.8 | 0 | 0 | 0 | 0 | 113.7 | N546 E551 | N546-T549 VanDerWaalsContact CB-OG1 3.32Å; N546-T549 WeakPolarHBondContact CB-OG1 3.38Å; N546-T549 PolarHBondContact ND2-OG1 3.48Å; N546-T549 VanDerWaalsContact ND2-OG1 3.14Å; N546-T549 PolarHBondContact OD1-N 2.85Å; T549-E551 VanDerWaalsContact CB-OE2 3.27Å; T549-E551 WeakPolarHBondContact CB-OE2 3.48Å; T549-E551 WeakPolarHBondContact CG2-OE2 3.34Å; T549-E551 PolarHBondContact O-N 3.36Å; T549-E551 VanDerWaalsContact OG1-CG 3.25Å; T549-E551 WeakPolarHBondContact OG1-CG 3.01Å; T549-E551 PolarHBondContact OG1-N 2.9Å; T549-E551 PolarHBondContact OG1-OE2 3.01Å |
| 550 | K | 85.7 | Confident | 91.6 | Very high | 48 Ų | 48 | 40.9 Ų | 40.9 | 21% | 0.209 | 21% | 0.211 | C | C | . | . | trans | 62 | 15.3 | -170.8 | -53.2 | -52.7 | -173.1 | -162.8 | 0 | 115 | Y545 N546 D547 F665 | Y545-K550 HydrophobicContact CE2-CD 4.32Å; Y545-K550 WeakPolarHBondContact OH-CD 3.2Å; Y545-K550 PolarHBondContact OH-NZ 3.02Å; N546-K550 VanDerWaalsContact O-CA 3.24Å; N546-K550 WeakPolarHBondContact O-CA 3.44Å; N546-K550 PolarHBondContact O-N 3.2Å; D547-K550 VanDerWaalsContact CG-NZ 3.25Å; D547-K550 WeakPolarHBondContact O-CD 3.43Å; D547-K550 VanDerWaalsContact O-CE 3.22Å; D547-K550 WeakPolarHBondContact O-CE 3.13Å; D547-K550 PolarHBondContact O-NZ 3.19Å; D547-K550 IonicContact OD1-NZ 3.58Å; D547-K550 PolarHBondContact OD1-NZ 3.49Å; D547-K550 IonicContact OD2-NZ 2.82Å; K550-F665 HydrophobicContact CB-CD1 3.63Å; K550-F665 HydrophobicContact CB-CE1 3.51Å; K550-F665 HydrophobicContact CB-CG 4.48Å; K550-F665 HydrophobicContact CB-CZ 4.27Å; K550-F665 HydrophobicContact CG-CD1 4.03Å; K550-F665 HydrophobicContact CG-CE1 4.25Å; K550-F665 HydrophobicContact CG-CG 4.43Å | ||
| 551 | E | 88.2 | Confident | 91.4 | Very high | 47 Ų | 47 | 42.3 Ų | 42.3 | 22% | 0.22 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 146.5 | 177.3 | 77 | -143.2 | -36.4 | 0 | 0 | 111.8 | N546 T549 L624 M627 | N546-E551 HydrophobicContact CB-CG 4.44Å; N546-E551 PolarHBondContact N-O 2.93Å; N546-E551 VanDerWaalsContact N-O 3.16Å; T549-E551 VanDerWaalsContact CB-OE2 3.27Å; T549-E551 WeakPolarHBondContact CB-OE2 3.48Å; T549-E551 WeakPolarHBondContact CG2-OE2 3.34Å; T549-E551 PolarHBondContact O-N 3.36Å; T549-E551 VanDerWaalsContact OG1-CG 3.25Å; T549-E551 WeakPolarHBondContact OG1-CG 3.01Å; T549-E551 PolarHBondContact OG1-N 2.9Å; T549-E551 PolarHBondContact OG1-OE2 3.01Å; E551-L624 HydrophobicContact CB-CD1 4.08Å; E551-M627 HydrophobicContact CB-SD 3.66Å; E551-M627 HydrophobicContact CG-SD 4.23Å |
| 552 | N | 92.6 | Very high | 91.2 | Very high | 24 Ų | 24 | 43.1 Ų | 43.1 | 13% | 0.128 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 37.3 | -176.8 | -48.3 | -47.6 | 0 | 0 | 0 | 117 | H543 Y545 I554 Y684 | H543-N552 HydrophobicContact CB-CB 4.2Å; H543-N552 WeakPolarHBondContact O-CB 3.47Å; H543-N552 PolarHBondContact O-ND2 3.23Å; Y545-N552 WeakPolarHBondContact CB-O 3.43Å; N552-I554 PolarHBondContact O-N 3.04Å; N552-Y684 WeakPolarHBondContact CA-OH 3.2Å; N552-Y684 HydrophobicContact CB-CE1 4.36Å; N552-Y684 WeakPolarHBondContact OD1-CE1 3.4Å; N552-Y684 PolarHBondContact OD1-OH 2.64Å |
| 553 | D | 94.8 | Very high | 91 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.011 | 21% | 0.205 | C | C | . | . | trans | -73.6 | 64 | 177.6 | -170.9 | 23.6 | 0 | 0 | 0 | 113.9 | A500 H501 Y545 S664 | A500-D553 WeakPolarHBondContact CA-OD1 3.4Å; A500-D553 PolarHBondContact N-OD1 3.48Å; H501-D553 IonicContact CE1-OD2 3.8Å; H501-D553 IonicContact CG-OD1 3.6Å; H501-D553 IonicContact CG-OD2 3.66Å; H501-D553 PolarHBondContact N-OD1 2.63Å; H501-D553 IonicContact ND1-OD1 3.17Å; H501-D553 PolarHBondContact ND1-OD1 3.38Å; H501-D553 IonicContact ND1-OD2 3.17Å; H501-D553 PolarHBondContact ND1-OD2 3.41Å; Y545-D553 VanDerWaalsContact CD2-CA 3.47Å; Y545-D553 HydrophobicContact CD2-CB 3.61Å; Y545-D553 HydrophobicContact CE2-CB 3.62Å; D553-S664 VanDerWaalsContact CB-OG 3.3Å; D553-S664 WeakPolarHBondContact CB-OG 3.18Å; D553-S664 WeakPolarHBondContact OD2-CA 3.34Å; D553-S664 WeakPolarHBondContact OD2-CB 3.4Å; D553-S664 PolarHBondContact OD2-OG 2.66Å | ||
| 554 | I | 96.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -142.4 | 136.9 | -179.1 | -163.1 | 172.3 | 0 | 0 | 0 | 111.1 | L497 H542 H543 N552 Y684 W687 | L497-I554 HydrophobicContact CD1-CD1 4.03Å; L497-I554 HydrophobicContact CD1-CG1 3.9Å; H542-I554 WeakPolarHBondContact CA-O 3.49Å; H543-I554 HydrophobicContact CB-CG2 3.84Å; H543-I554 PolarHBondContact N-O 3.04Å; N552-I554 PolarHBondContact O-N 3.04Å; I554-Y684 HydrophobicContact CD1-CD2 3.89Å; I554-Y684 HydrophobicContact CD1-CG 3.98Å; I554-Y684 HydrophobicContact CG2-CD1 3.88Å; I554-Y684 HydrophobicContact CG2-CD2 4.01Å; I554-Y684 HydrophobicContact CG2-CE1 4.23Å; I554-Y684 HydrophobicContact CG2-CE2 4.34Å; I554-Y684 HydrophobicContact CG2-CG 3.76Å; I554-W687 HydrophobicContact CG1-CZ3 4.34Å; I554-W687 HydrophobicContact CG2-CE3 4.33Å; I554-W687 HydrophobicContact CG2-CH2 4.34Å; I554-W687 HydrophobicContact CG2-CZ3 3.81Å | ||
| 555 | A | 97.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 150.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T498 A500 L503 M541 H542 | T498-A555 HydrophobicContact CG2-CB 4.18Å; T498-A555 PolarHBondContact N-O 3.06Å; T498-A555 PolarHBondContact O-N 3.44Å; A500-A555 HydrophobicContact CB-CB 4.22Å; L503-A555 HydrophobicContact CD1-CB 3.65Å; M541-A555 CarbonylContact O-C 3.51Å; M541-A555 WeakPolarHBondContact O-CA 3.44Å; M541-A555 WeakPolarHBondContact O-CB 3.38Å; H542-A555 HydrophobicContact CB-CB 4.04Å |
| 556 | V | 97.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 132.1 | 175.5 | -171.8 | 0 | 0 | 0 | 0 | 109.4 | I484 F495 V496 L497 Y540 M541 W687 T688 M695 | I484-V556 HydrophobicContact CD1-CG1 4.43Å; F495-V556 HydrophobicContact CD1-CG1 4.36Å; V496-V556 CarbonylContact O-C 3.57Å; V496-V556 WeakPolarHBondContact O-CA 3.41Å; L497-V556 HydrophobicContact CD1-CG2 3.89Å; Y540-V556 CarbonylContact C-O 3.57Å; Y540-V556 WeakPolarHBondContact CA-O 3.36Å; Y540-V556 VanDerWaalsContact CB-O 3.26Å; Y540-V556 WeakPolarHBondContact CB-O 3.35Å; M541-V556 HydrophobicContact CG-CB 4.24Å; M541-V556 PolarHBondContact N-O 2.67Å; M541-V556 PolarHBondContact O-N 3.24Å; V556-W687 HydrophobicContact CG2-CH2 4.1Å; V556-W687 HydrophobicContact CG2-CZ3 4.04Å; V556-T688 HydrophobicContact CG2-CG2 3.9Å; V556-M695 HydrophobicContact CB-CE 4.12Å; V556-M695 HydrophobicContact CG1-CE 3.88Å |
| 557 | L | 97.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 140.1 | 173.9 | -36.6 | 178.8 | 0 | 0 | 0 | 110 | L467 F495 V496 T498 L503 V517 V537 Y540 | L467-L557 HydrophobicContact CD1-CD1 3.79Å; L467-L557 HydrophobicContact CD2-CD1 4.25Å; F495-L557 WeakPolarHBondContact CA-O 3.43Å; V496-L557 HydrophobicContact CB-CB 4.2Å; V496-L557 HydrophobicContact CB-CD1 4.26Å; V496-L557 HydrophobicContact CB-CG 4.29Å; V496-L557 HydrophobicContact CG1-CD1 4.15Å; V496-L557 HydrophobicContact CG1-CG 4.45Å; V496-L557 PolarHBondContact N-O 3.33Å; V496-L557 PolarHBondContact O-N 3.37Å; T498-L557 HydrophobicContact CG2-CD1 4.26Å; T498-L557 HydrophobicContact CG2-CD2 3.94Å; T498-L557 HydrophobicContact CG2-CG 3.98Å; L503-L557 HydrophobicContact CD1-CD2 3.69Å; L503-L557 HydrophobicContact CD2-CD2 3.85Å; L503-L557 HydrophobicContact CG-CD2 4.32Å; V517-L557 HydrophobicContact CG2-CD1 3.91Å; V537-L557 HydrophobicContact CG1-CB 4.19Å; V537-L557 HydrophobicContact CG2-CB 4.46Å; V537-L557 HydrophobicContact CG2-CD1 4.09Å; Y540-L557 HydrophobicContact CG-CD2 4.37Å |
| 558 | Q | 96.4 | Very high | 90.2 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 1% | 0.014 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 125.2 | 161.3 | -176.6 | -177.1 | 28.6 | 0 | 0 | 108.7 | Q494 F495 V537 K538 N539 M695 | Q494-Q558 HydrophobicContact CG-CG 4.48Å; Q494-Q558 CarbonylContact O-C 3.48Å; Q494-Q558 WeakPolarHBondContact O-CA 3.45Å; F495-Q558 HydrophobicContact CE1-CB 4.32Å; F495-Q558 HydrophobicContact CE1-CG 4.29Å; V537-Q558 WeakPolarHBondContact CG1-O 3.39Å; K538-Q558 HydrophobicContact CB-CG 4.34Å; K538-Q558 PolarHBondContact N-O 3.16Å; N539-Q558 HydrophobicContact CB-CB 4.34Å; N539-Q558 PolarHBondContact N-O 2.95Å; N539-Q558 PolarHBondContact O-N 2.97Å; Q558-M695 HydrophobicContact CB-CB 4.43Å; Q558-M695 HydrophobicContact CB-SD 4.02Å; Q558-M695 PolarHBondContact NE2-O 3.09Å; Q558-M695 PolarHBondContact OE1-O 3.23Å |
| 559 | L | 96.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 156.1 | 178.2 | -61.4 | 177.7 | 0 | 0 | 0 | 111.6 | L483 Q494 V496 V517 I535 R561 V563 | L483-L559 HydrophobicContact CD2-CD1 4.48Å; Q494-L559 WeakPolarHBondContact O-CG 3.21Å; Q494-L559 PolarHBondContact O-N 3.45Å; V496-L559 HydrophobicContact CG2-CD1 4.05Å; V496-L559 HydrophobicContact CG2-CD2 4.18Å; V496-L559 HydrophobicContact CG2-CG 4.23Å; V517-L559 HydrophobicContact CB-CD2 3.87Å; V517-L559 HydrophobicContact CG1-CD2 4.4Å; V517-L559 HydrophobicContact CG2-CD2 3.75Å; I535-L559 HydrophobicContact CB-CD2 4.49Å; I535-L559 HydrophobicContact CD1-CD1 4.18Å; I535-L559 HydrophobicContact CG2-CB 3.92Å; I535-L559 HydrophobicContact CG2-CD2 4.29Å; I535-L559 HydrophobicContact CG2-CG 4.48Å; L559-R561 VanDerWaalsContact C-N 3.27Å; L559-R561 WeakPolarHBondContact CB-O 3.5Å; L559-R561 PolarHBondContact O-N 3.35Å; L559-V563 HydrophobicContact CD1-CG2 3.65Å |
| 560 | Q | 92.6 | Very high | 91.2 | Very high | 124 Ų | 124 | 41 Ų | 41 | 58% | 0.579 | 20% | 0.195 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -68.6 | -22.6 | 176.4 | -75.4 | 172.5 | -10.2 | 0 | 0 | 114 | G536 V537 K538 | G536-Q560 WeakPolarHBondContact O-CB 3.26Å; G536-Q560 WeakPolarHBondContact O-CG 3.11Å; G536-Q560 PolarHBondContact O-N 2.88Å; V537-Q560 PolarHBondContact O-NE2 3.47Å; K538-Q560 HydrophobicContact CB-CG 4.12Å |
| 561 | R | 89.9 | Confident | 91.6 | Very high | 74 Ų | 74 | 40.1 Ų | 40.1 | 28% | 0.279 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 153.4 | 175.8 | 59 | -177.4 | -178.9 | -125.2 | 10 | 110.6 | M533 Y534 I535 L559 D725 | M533-R561 VanDerWaalsContact CG-NH2 3.26Å; M533-R561 PolarHBondContact SD-NE 2.84Å; M533-R561 VanDerWaalsContact SD-NE 3.37Å; M533-R561 PolarHBondContact SD-NH2 3.33Å; Y534-R561 PolarHBondContact O-NH2 2.94Å; I535-R561 HydrophobicContact CG1-CG 4.49Å; I535-R561 HydrophobicContact CG2-CG 3.75Å; L559-R561 VanDerWaalsContact C-N 3.27Å; L559-R561 WeakPolarHBondContact CB-O 3.5Å; L559-R561 PolarHBondContact O-N 3.35Å; R561-D725 IonicContact NH2-OD1 3.88Å |
| 562 | Y | 90.5 | Very high | 92 | Very high | 60 Ų | 60 | 38.1 Ų | 38.1 | 24% | 0.235 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 137.2 | 172.2 | -77 | -92.8 | 0 | 0 | 0 | 111.1 | R490 Q494 E696 W703 | R490-Y562 PolarHBondContact NH1-OH 2.85Å; Q494-Y562 HydrophobicContact CB-CD1 4.07Å; Q494-Y562 HydrophobicContact CB-CE1 4.17Å; Q494-Y562 HydrophobicContact CB-CG 4.34Å; Q494-Y562 HydrophobicContact CG-CD1 4.34Å; Q494-Y562 HydrophobicContact CG-CE1 3.93Å; Q494-Y562 PolarHBondContact NE2-OH 3.25Å; Q494-Y562 VanDerWaalsContact NE2-OH 3.17Å; Y562-E696 PolarHBondContact OH-OE1 2.77Å; Y562-E696 VanDerWaalsContact OH-OE1 3.04Å; Y562-W703 AromaticContact CD1-CH2 3.59Å; Y562-W703 HydrophobicContact CD1-CH2 3.59Å; Y562-W703 AromaticContact CD1-CZ2 3.83Å; Y562-W703 HydrophobicContact CD1-CZ2 3.83Å; Y562-W703 AromaticContact CD2-CH2 3.62Å; Y562-W703 HydrophobicContact CD2-CH2 3.62Å; Y562-W703 AromaticContact CD2-CZ2 3.88Å; Y562-W703 HydrophobicContact CD2-CZ2 3.88Å; Y562-W703 HydrophobicContact CD2-CZ3 4Å; Y562-W703 AromaticContact CE1-CH2 3.81Å; Y562-W703 HydrophobicContact CE1-CH2 3.81Å; Y562-W703 AromaticContact CE1-CZ2 3.51Å; Y562-W703 HydrophobicContact CE1-CZ2 3.51Å; Y562-W703 AromaticContact CE2-CE2 3.92Å; Y562-W703 AromaticContact CE2-CH2 3.84Å; Y562-W703 HydrophobicContact CE2-CH2 3.84Å; Y562-W703 AromaticContact CE2-CZ2 3.56Å; Y562-W703 HydrophobicContact CE2-CZ2 3.56Å; Y562-W703 HydrophobicContact CE2-CZ3 4.41Å; Y562-W703 AromaticContact CG-CH2 3.48Å; Y562-W703 HydrophobicContact CG-CH2 3.48Å; Y562-W703 VanDerWaalsContact CG-CH2 3.48Å; Y562-W703 AromaticContact CG-CZ2 3.99Å; Y562-W703 HydrophobicContact CG-CZ2 3.99Å; Y562-W703 HydrophobicContact CG-CZ3 4.1Å; Y562-W703 AromaticContact CZ-CE2 3.93Å; Y562-W703 AromaticContact CZ-CH2 3.9Å; Y562-W703 AromaticContact CZ-CZ2 3.35Å |
| 563 | V | 90.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 110 | 166.2 | -177.5 | 0 | 0 | 0 | 0 | 107.5 | L483 G492 T493 V519 I535 L559 T569 | L483-V563 HydrophobicContact CD1-CG1 4.05Å; L483-V563 HydrophobicContact CD2-CB 4.38Å; L483-V563 HydrophobicContact CD2-CG2 4.09Å; G492-V563 CarbonylContact C-O 3.49Å; G492-V563 WeakPolarHBondContact CA-O 3.48Å; T493-V563 PolarHBondContact N-O 2.03Å; T493-V563 PolarHBondContact O-N 2.83Å; V519-V563 HydrophobicContact CG1-CG2 4.18Å; V519-V563 HydrophobicContact CG2-CG1 4.16Å; V519-V563 HydrophobicContact CG2-CG2 4.3Å; I535-V563 HydrophobicContact CD1-CG2 3.41Å; I535-V563 VanDerWaalsContact CD1-CG2 3.41Å; L559-V563 HydrophobicContact CD1-CG2 3.65Å; V563-T569 HydrophobicContact CG1-CG2 3.76Å |
| 564 | A | 88 | Confident | 92.1 | Very high | 57 Ų | 57 | 40.4 Ų | 40.4 | 47% | 0.471 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 146.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | T566 T569 | A564-T566 PolarHBondContact O-N 2.86Å; A564-T569 PolarHBondContact O-OG1 2.83Å |
| 565 | Y | 89.1 | Confident | 92 | Very high | 68 Ų | 68 | 40.7 Ų | 40.7 | 27% | 0.267 | 20% | 0.202 | S | C | . | . | trans | -77.6 | 122.4 | 176.4 | -65 | -7.2 | 0 | 0 | 0 | 110.5 | Q485 R490 N491 G492 T493 T569 P571 | Q485-Y565 VanDerWaalsContact CD-OH 3.27Å; Q485-Y565 WeakPolarHBondContact CG-OH 3.44Å; Q485-Y565 PolarHBondContact OE1-OH 2.88Å; R490-Y565 WeakPolarHBondContact O-CD2 3.04Å; R490-Y565 WeakPolarHBondContact O-CE2 3.4Å; N491-Y565 PolarHBondContact O-N 3.02Å; G492-Y565 VanDerWaalsContact CA-CD1 3.5Å; T493-Y565 HydrophobicContact CG2-CE1 4.07Å; Y565-T569 CarbonylContact C-O 3.57Å; Y565-T569 VanDerWaalsContact CA-O 3.26Å; Y565-T569 WeakPolarHBondContact CA-O 3.36Å; Y565-P571 VanDerWaalsContact CE1-CD 3.44Å; Y565-P571 HydrophobicContact CE1-CG 3.99Å; Y565-P571 HydrophobicContact CE2-CG 4.27Å | ||
| 566 | T | 85.3 | Confident | 91.8 | Very high | 57 Ų | 57 | 46.9 Ų | 46.9 | 35% | 0.35 | 23% | 0.231 | S | C | . | . | trans | -133.5 | -174.2 | 180 | 71.3 | 0 | 0 | 0 | 0 | 110.4 | A564 Y568 T569 R570 | A564-T566 PolarHBondContact O-N 2.86Å; T566-Y568 PolarHBondContact O-N 3.34Å; T566-Y568 PolarHBondContact OG1-N 2.69Å; T566-T569 PolarHBondContact N-O 2.78Å; T566-T569 PolarHBondContact OG1-N 2.87Å; T566-T569 PolarHBondContact OG1-OG1 3.44Å; T566-R570 VanDerWaalsContact O-CD 3.3Å; T566-R570 WeakPolarHBondContact O-CD 3.05Å; T566-R570 WeakPolarHBondContact O-CG 3.31Å | ||
| 567 | S | 79.3 | Confident | 91.5 | Very high | 52 Ų | 52 | 49.3 Ų | 49.3 | 36% | 0.364 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -62.9 | -21.2 | 164.6 | 40.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 568 | Y | 86.5 | Confident | 91.2 | Very high | 102 Ų | 102 | 55 Ų | 55 | 40% | 0.4 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -105.1 | -20.3 | -172 | -47.5 | -76.3 | 0 | 0 | 0 | 113.5 | H459 P462 S531 T566 | H459-Y568 HydrophobicContact CB-CD1 3.6Å; H459-Y568 HydrophobicContact CB-CE1 4.31Å; H459-Y568 AromaticContact CD2-CD1 3.84Å; H459-Y568 AromaticContact CD2-CE1 3.9Å; H459-Y568 AromaticContact CG-CD1 3.47Å; H459-Y568 VanDerWaalsContact CG-CD1 3.47Å; H459-Y568 AromaticContact ND1-CD1 3.78Å; P462-Y568 WeakPolarHBondContact CA-O 3.49Å; S531-Y568 VanDerWaalsContact CB-CG 3.45Å; T566-Y568 PolarHBondContact O-N 3.34Å; T566-Y568 PolarHBondContact OG1-N 2.69Å |
| 569 | T | 90.5 | Very high | 91 | Very high | 8 Ų | 8 | 57.9 Ų | 57.9 | 5% | 0.049 | 29% | 0.29 | C | S | . | . | trans | -137.5 | 107 | -172.3 | 48.4 | 0 | 0 | 0 | 0 | 110.2 | P462 V519 V563 A564 Y565 T566 | P462-T569 CarbonylContact O-C 3.48Å; P462-T569 VanDerWaalsContact O-CA 3.29Å; P462-T569 WeakPolarHBondContact O-CA 3.08Å; V519-T569 HydrophobicContact CB-CG2 4.17Å; V519-T569 HydrophobicContact CG2-CG2 3.96Å; V563-T569 HydrophobicContact CG1-CG2 3.76Å; A564-T569 PolarHBondContact O-OG1 2.83Å; Y565-T569 CarbonylContact C-O 3.57Å; Y565-T569 VanDerWaalsContact CA-O 3.26Å; Y565-T569 WeakPolarHBondContact CA-O 3.36Å; T566-T569 PolarHBondContact N-O 2.78Å; T566-T569 PolarHBondContact OG1-N 2.87Å; T566-T569 PolarHBondContact OG1-OG1 3.44Å | ||
| 570 | R | 90.5 | Very high | 90.8 | Very high | 135 Ų | 135 | 66.3 Ų | 66.3 | 51% | 0.509 | 33% | 0.33 | S | S | . | . | trans | -151.2 | 146.7 | 179.3 | -57 | -176.9 | 71.6 | 154.1 | 1.2 | 109.3 | P462 W463 T566 | P462-R570 CarbonylContact C-O 3.56Å; P462-R570 VanDerWaalsContact C-O 3.27Å; P462-R570 HydrophobicContact CB-CB 4.07Å; P462-R570 HydrophobicContact CB-CG 4.19Å; P462-R570 HydrophobicContact CG-CB 3.93Å; P462-R570 HydrophobicContact CG-CG 4.25Å; P462-R570 PolarHBondContact O-N 2.86Å; P462-R570 VanDerWaalsContact O-O 3.14Å; W463-R570 WeakPolarHBondContact CA-O 3.06Å; W463-R570 WeakPolarHBondContact CB-O 3.19Å; W463-R570 PolarHBondContact N-O 3.3Å; W463-R570 VanDerWaalsContact N-O 3.11Å; T566-R570 VanDerWaalsContact O-CD 3.3Å; T566-R570 WeakPolarHBondContact O-CD 3.05Å; T566-R570 WeakPolarHBondContact O-CG 3.31Å | ||
| 571 | P | 94.6 | Very high | 90.8 | Very high | 29 Ų | 29 | 61 Ų | 61 | 19% | 0.188 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 153.6 | 177.8 | 31.9 | -37.6 | 0 | 0 | 0 | 112.1 | L483 Q485 Y565 | L483-P571 CarbonylContact O-C 3.32Å; L483-P571 WeakPolarHBondContact O-CA 3.06Å; Q485-P571 HydrophobicContact CB-CB 3.85Å; Q485-P571 HydrophobicContact CB-CG 3.78Å; Y565-P571 VanDerWaalsContact CE1-CD 3.44Å; Y565-P571 HydrophobicContact CE1-CG 3.99Å; Y565-P571 HydrophobicContact CE2-CG 4.27Å |
| 572 | V | 95.6 | Very high | 90.8 | Very high | 5 Ų | 5 | 58.8 Ų | 58.8 | 3% | 0.03 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -80.1 | 154.1 | 165.2 | 67 | 0 | 0 | 0 | 0 | 110.1 | W463 L483 I484 V650 Y657 Q659 | W463-V572 HydrophobicContact CB-CB 3.93Å; W463-V572 HydrophobicContact CB-CG1 4.48Å; W463-V572 HydrophobicContact CD2-CB 3.78Å; W463-V572 HydrophobicContact CD2-CG2 4.13Å; W463-V572 HydrophobicContact CE3-CB 4.19Å; W463-V572 HydrophobicContact CG-CB 3.66Å; W463-V572 HydrophobicContact CG-CG1 4.48Å; W463-V572 HydrophobicContact CG-CG2 4.36Å; L483-V572 PolarHBondContact O-N 2.86Å; I484-V572 HydrophobicContact CG2-CG1 4.12Å; V572-V650 HydrophobicContact CG2-CG1 3.78Å; V572-Y657 WeakPolarHBondContact CG2-O 3Å; V572-Q659 HydrophobicContact CG1-CB 3.83Å; V572-Q659 VanDerWaalsContact CG1-OE1 3.28Å; V572-Q659 HydrophobicContact CG2-CB 4.07Å |
| 573 | C | 94.9 | Very high | 90.5 | Very high | 48 Ų | 48 | 58.5 Ų | 58.5 | 32% | 0.324 | 31% | 0.305 | S | S | . | . | B | Isolated β-bridge | trans | -71.9 | 141.9 | 173.1 | -58.5 | 0 | 0 | 0 | 0 | 110.2 | Y657 Y658 Q659 | C573-Y657 WeakPolarHBondContact CB-O 3.32Å; C573-Y657 PolarHBondContact N-O 2.85Å; C573-Y658 HydrophobicContact CB-CD1 3.47Å; C573-Y658 VanDerWaalsContact CB-CD1 3.47Å; C573-Y658 HydrophobicContact CB-CD2 4.31Å; C573-Y658 HydrophobicContact CB-CE1 3.57Å; C573-Y658 HydrophobicContact CB-CE2 4.4Å; C573-Y658 HydrophobicContact CB-CG 3.86Å; C573-Y658 CarbonylContact O-C 3.49Å; C573-Y658 WeakPolarHBondContact O-CA 2.94Å; C573-Q659 PolarHBondContact O-N 2.91Å |
| 574 | L | 95.2 | Very high | 89.8 | Confident | 26 Ų | 26 | 66.1 Ų | 66.1 | 14% | 0.136 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -95.6 | 141.7 | 169.4 | -65.7 | 177.1 | 0 | 0 | 0 | 109.5 | I484 P486 L497 Y658 V681 L685 | I484-L574 HydrophobicContact CB-CD1 4.39Å; I484-L574 HydrophobicContact CB-CD2 4.46Å; I484-L574 HydrophobicContact CD1-CD1 4.49Å; I484-L574 HydrophobicContact CG2-CD2 3.9Å; I484-L574 HydrophobicContact CG2-CG 4.48Å; P486-L574 HydrophobicContact CB-CD1 4.33Å; L497-L574 HydrophobicContact CD2-CD2 4.45Å; L574-Y658 WeakPolarHBondContact O-CD1 3.41Å; L574-Y658 WeakPolarHBondContact O-CE1 3.31Å; L574-V681 HydrophobicContact CD2-CG1 4.46Å; L574-L685 HydrophobicContact CB-CD2 3.95Å; L574-L685 HydrophobicContact CD1-CD2 4.06Å; L574-L685 HydrophobicContact CD2-CD2 4.18Å; L574-L685 HydrophobicContact CG-CD2 4.29Å |
| 575 | P | 94.6 | Very high | 89.5 | Confident | 6 Ų | 6 | 64.3 Ų | 64.3 | 4% | 0.039 | 33% | 0.331 | C | S | . | . | trans | -68.9 | -176.4 | 174 | 24.4 | -27.2 | 0 | 0 | 0 | 111.4 | E579 Q659 Y660 P682 L685 | P575-E579 HydrophobicContact CB-CB 4.26Å; P575-E579 WeakPolarHBondContact CB-OE2 3.06Å; P575-Q659 WeakPolarHBondContact CD-O 3.13Å; P575-Y660 HydrophobicContact CB-CD1 4.15Å; P575-Y660 HydrophobicContact CB-CE1 3.67Å; P575-Y660 HydrophobicContact CG-CD1 4.06Å; P575-Y660 HydrophobicContact CG-CE1 4.11Å; P575-P682 HydrophobicContact CB-CG 4.42Å; P575-P682 HydrophobicContact CG-CG 3.86Å; P575-L685 HydrophobicContact CB-CD1 4.46Å; P575-L685 HydrophobicContact CG-CD1 3.98Å; P575-L685 WeakPolarHBondContact O-CD1 3.22Å | ||
| 576 | Q | 92.6 | Very high | 89.1 | Confident | 129 Ų | 129 | 66.6 Ų | 66.6 | 60% | 0.603 | 34% | 0.34 | S | S | * | . | trans | -79.9 | 152.2 | 168.5 | -62.2 | -56.1 | -49.8 | 0 | 0 | 111.6 | N578 E579 L685 | Q576-N578 PolarHBondContact O-N 3.48Å; Q576-E579 HydrophobicContact CB-CB 4.19Å; Q576-E579 PolarHBondContact N-OE2 3.4Å; Q576-E579 WeakPolarHBondContact O-CB 3.46Å; Q576-E579 PolarHBondContact O-N 3.08Å; Q576-L685 WeakPolarHBondContact O-CD1 3.28Å | ||
| 577 | P | 92.2 | Very high | 89.3 | Confident | 52 Ų | 52 | 64 Ų | 64 | 34% | 0.338 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 129.2 | 173.8 | -25.4 | 34.8 | 0 | 0 | 0 | 111.6 | E579 L685 N686 | P577-E579 PolarHBondContact O-N 2.93Å; P577-L685 HydrophobicContact CB-CB 4.36Å; P577-L685 HydrophobicContact CG-CB 4.17Å; P577-N686 WeakPolarHBondContact CB-OD1 3.5Å; P577-N686 WeakPolarHBondContact CG-OD1 3.09Å |
| 578 | N | 90.2 | Very high | 89.9 | Confident | 119 Ų | 119 | 62.6 Ų | 62.6 | 64% | 0.636 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 21 | -176 | -52 | -42.3 | 0 | 0 | 0 | 115.6 | Q576 P682 | Q576-N578 PolarHBondContact O-N 3.48Å; N578-P682 PolarHBondContact N-O 3.13Å |
| 579 | E | 92.8 | Very high | 90.1 | Very high | 63 Ų | 63 | 57.8 Ų | 57.8 | 29% | 0.294 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 139.3 | 172.7 | -165.6 | -177.6 | 132.9 | 0 | 0 | 111.9 | P575 Q576 P577 Y660 P682 | P575-E579 HydrophobicContact CB-CB 4.26Å; P575-E579 WeakPolarHBondContact CB-OE2 3.06Å; Q576-E579 HydrophobicContact CB-CB 4.19Å; Q576-E579 PolarHBondContact N-OE2 3.4Å; Q576-E579 WeakPolarHBondContact O-CB 3.46Å; Q576-E579 PolarHBondContact O-N 3.08Å; P577-E579 PolarHBondContact O-N 2.93Å; E579-Y660 HydrophobicContact CG-CE1 4.49Å; E579-Y660 PolarHBondContact OE1-OH 3.37Å; E579-P682 WeakPolarHBondContact O-CB 3.08Å |
| 580 | Q | 91.5 | Very high | 90.2 | Very high | 177 Ų | 177 | 57.5 Ų | 57.5 | 83% | 0.827 | 29% | 0.291 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 139.5 | 179.4 | -170 | 173.2 | 15.1 | 0 | 0 | 111.3 | ||
| 581 | L | 92.6 | Very high | 90.2 | Very high | 13 Ų | 13 | 51.1 Ų | 51.1 | 7% | 0.068 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 130.9 | 178.7 | -64.9 | -177.6 | 0 | 0 | 0 | 111.4 | T583 I612 F629 Y660 R680 P682 | L581-T583 PolarHBondContact O-N 2.83Å; L581-I612 HydrophobicContact CB-CD1 3.99Å; L581-I612 HydrophobicContact CB-CG2 4.25Å; L581-I612 HydrophobicContact CD1-CG2 4.02Å; L581-I612 HydrophobicContact CD2-CD1 4.34Å; L581-F629 HydrophobicContact CD1-CB 3.6Å; L581-F629 HydrophobicContact CD1-CD1 3.71Å; L581-F629 HydrophobicContact CD1-CD2 3.87Å; L581-F629 HydrophobicContact CD1-CE1 4.31Å; L581-F629 HydrophobicContact CD1-CE2 4.44Å; L581-F629 HydrophobicContact CD1-CG 3.45Å; L581-F629 VanDerWaalsContact CD1-CG 3.45Å; L581-F629 HydrophobicContact CD2-CD1 4.35Å; L581-F629 HydrophobicContact CD2-CE1 4.22Å; L581-F629 HydrophobicContact CD2-CZ 4.49Å; L581-Y660 HydrophobicContact CD2-CD1 3.94Å; L581-Y660 HydrophobicContact CD2-CG 4.33Å; L581-R680 HydrophobicContact CD2-CG 4.32Å; L581-P682 HydrophobicContact CD2-CG 4.43Å |
| 582 | P | 89.9 | Confident | 89.9 | Confident | 28 Ų | 28 | 50 Ų | 50 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | trans | -82.2 | 78.8 | -177.7 | 34.7 | -37.9 | 0 | 0 | 0 | 110.9 | N584 A585 I612 C651 V653 Y660 | P582-N584 PolarHBondContact O-N 2.87Å; P582-A585 HydrophobicContact CB-CB 3.76Å; P582-A585 HydrophobicContact CG-CB 4.01Å; P582-A585 WeakPolarHBondContact O-CB 3.34Å; P582-A585 PolarHBondContact O-N 3.01Å; P582-I612 HydrophobicContact CG-CD1 4.46Å; P582-C651 HydrophobicContact CG-CB 3.91Å; P582-V653 HydrophobicContact CB-CG2 4.31Å; P582-V653 HydrophobicContact CG-CG2 4.17Å; P582-Y660 HydrophobicContact CG-CD1 4.5Å; P582-Y660 HydrophobicContact CG-CD2 3.92Å; P582-Y660 HydrophobicContact CG-CE1 4.21Å; P582-Y660 HydrophobicContact CG-CE2 3.57Å; P582-Y660 HydrophobicContact CG-CG 4.36Å | ||
| 583 | T | 84.1 | Confident | 88.9 | Confident | 53 Ų | 53 | 49.7 Ų | 49.7 | 33% | 0.325 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -20.1 | -175.6 | 53.2 | 0 | 0 | 0 | 0 | 115.3 | L581 I612 | L581-T583 PolarHBondContact O-N 2.83Å; T583-I612 HydrophobicContact CG2-CG2 4.15Å |
| 584 | N | 76.5 | Confident | 87.4 | Confident | 161 Ų | 161 | 47.6 Ų | 47.6 | 86% | 0.861 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | 4.6 | 178.1 | -63.9 | -55 | 0 | 0 | 0 | 114.2 | P582 | P582-N584 PolarHBondContact O-N 2.87Š|
| 585 | A | 80.1 | Confident | 85.6 | Confident | 19 Ų | 19 | 47.5 Ų | 47.5 | 16% | 0.157 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -83.3 | 155 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | P582 C587 C651 | P582-A585 HydrophobicContact CB-CB 3.76Å; P582-A585 HydrophobicContact CG-CB 4.01Å; P582-A585 WeakPolarHBondContact O-CB 3.34Å; P582-A585 PolarHBondContact O-N 3.01Å; A585-C587 PolarHBondContact O-N 3.18Å; A585-C651 HydrophobicContact CB-CB 4.1Å |
| 586 | Y | 81.7 | Confident | 83.4 | Confident | 117 Ų | 117 | 51.2 Ų | 51.2 | 46% | 0.459 | 26% | 0.262 | S | S | . | . | trans | -73.3 | 107 | 168.4 | -72.5 | -74.5 | 0 | 0 | 0 | 109.2 | C651 E652 N1107 | Y586-C651 WeakPolarHBondContact O-CA 3.23Å; Y586-E652 PolarHBondContact O-N 2.76Å; Y586-N1107 PolarHBondContact OH-ND2 3.29Å; Y586-N1107 VanDerWaalsContact OH-ND2 3.17Å | ||
| 587 | C | 89.4 | Confident | 81.5 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.02 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 141 | -179.8 | -56.9 | 0 | 0 | 0 | 0 | 111.3 | A585 D609 A610 L649 V650 C651 | A585-C587 PolarHBondContact O-N 3.18Å; C587-D609 WeakPolarHBondContact O-CA 3.4Å; C587-A610 VanDerWaalsContact CB-O 3.3Å; C587-A610 WeakPolarHBondContact CB-O 3.19Å; C587-A610 PolarHBondContact O-N 3.39Å; C587-L649 HydrophobicContact CB-CD2 3.97Å; C587-V650 CarbonylContact C-O 3.52Å; C587-V650 VanDerWaalsContact CA-O 3.23Å; C587-V650 WeakPolarHBondContact CA-O 3.37Å; C587-C651 HydrophobicContact CB-CB 4.09Å; C587-C651 WeakPolarHBondContact CB-SG 3.14Å; C587-C651 WeakPolarHBondContact SG-CB 3.31Å; C587-C651 CovalentContact SG-SG 2.04Å; C587-C651 PolarHBondContact SG-SG 3.09Å |
| 588 | F | 91.5 | Very high | 79.7 | Confident | 22 Ų | 22 | 48.3 Ų | 48.3 | 10% | 0.096 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 145.2 | -176.9 | -54.2 | -83.1 | 0 | 0 | 0 | 111.5 | W454 M607 V608 D609 L649 V650 Y657 | W454-F588 HydrophobicContact CH2-CD1 4.07Å; W454-F588 AromaticContact CH2-CE1 3.97Å; W454-F588 HydrophobicContact CH2-CE1 3.97Å; W454-F588 AromaticContact CZ2-CD1 3.97Å; W454-F588 HydrophobicContact CZ2-CD1 3.97Å; W454-F588 AromaticContact CZ2-CE1 3.87Å; W454-F588 HydrophobicContact CZ2-CE1 3.87Å; F588-M607 HydrophobicContact CB-CE 3.91Å; F588-M607 HydrophobicContact CD1-CE 3.7Å; F588-M607 HydrophobicContact CD2-CE 4.41Å; F588-M607 HydrophobicContact CE1-CE 4.33Å; F588-M607 HydrophobicContact CG-CE 3.74Å; F588-V608 CarbonylContact C-O 3.51Å; F588-V608 WeakPolarHBondContact CA-O 3.49Å; F588-D609 HydrophobicContact CD1-CB 4.25Å; F588-D609 HydrophobicContact CE1-CB 4.2Å; F588-L649 CarbonylContact O-C 3.58Å; F588-L649 WeakPolarHBondContact O-CA 3.49Å; F588-V650 HydrophobicContact CB-CG2 4.37Å; F588-V650 PolarHBondContact N-O 3.05Å; F588-V650 PolarHBondContact O-N 2.88Å; F588-Y657 HydrophobicContact CD2-CE1 4.25Å; F588-Y657 HydrophobicContact CE2-CE1 4.19Å |
| 589 | V | 92 | Very high | 77.9 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 140.7 | 169.2 | 178.2 | 0 | 0 | 0 | 0 | 108.6 | I450 M607 V608 A610 P648 L649 V663 Y678 | I450-V589 HydrophobicContact CD1-CG1 4.43Å; V589-M607 CarbonylContact O-C 3.49Å; V589-M607 WeakPolarHBondContact O-CA 3.38Å; V589-M607 WeakPolarHBondContact O-CB 3.18Å; V589-V608 HydrophobicContact CB-CG1 4.27Å; V589-V608 PolarHBondContact N-O 3.46Å; V589-V608 PolarHBondContact O-N 3.29Å; V589-A610 HydrophobicContact CG2-CB 3.85Å; V589-P648 WeakPolarHBondContact CA-O 3.35Å; V589-L649 HydrophobicContact CG2-CB 3.91Å; V589-L649 HydrophobicContact CG2-CD1 3.83Å; V589-L649 HydrophobicContact CG2-CG 3.93Å; V589-V663 HydrophobicContact CG1-CG2 3.6Å; V589-Y678 HydrophobicContact CG2-CE1 3.53Å |
| 590 | S | 91.3 | Very high | 76 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 147.3 | 179.7 | 52 | 0 | 0 | 0 | 0 | 113.9 | Q464 R606 | Q464-S590 PolarHBondContact NE2-O 3.09Å; Q464-S590 PolarHBondContact OE1-O 2.96Å; Q464-S590 PolarHBondContact OE1-OG 2.73Å; S590-R606 CarbonylContact C-O 3.58Å; S590-R606 WeakPolarHBondContact CA-O 3.42Å; S590-R606 WeakPolarHBondContact CB-O 3.07Å |
| 591 | G | 90.9 | Very high | 74.8 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.4 | -176.1 | -176 | 0 | 0 | 0 | 0 | 0 | 114.7 | L605 R606 D644 | G591-L605 WeakPolarHBondContact O-CD1 3.14Å; G591-R606 PolarHBondContact N-O 3.28Å; G591-R606 PolarHBondContact O-N 3.37Å; G591-D644 VanDerWaalsContact CA-OD1 3.3Å; G591-D644 WeakPolarHBondContact CA-OD1 3.26Å |
| 592 | W | 87.5 | Confident | 73.9 | Confident | 5 Ų | 5 | 42.2 Ų | 42.2 | 2% | 0.019 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -115.1 | 22.6 | -179.4 | -69.5 | -87.4 | 0 | 0 | 0 | 111.7 | Q464 R466 A521 H522 L524 S601 S602 T603 L604 L605 D644 | Q464-W592 HydrophobicContact CG-CE3 4.35Å; Q464-W592 HydrophobicContact CG-CH2 3.7Å; Q464-W592 HydrophobicContact CG-CZ3 3.48Å; Q464-W592 VanDerWaalsContact CG-CZ3 3.48Å; R466-W592 HydrophobicContact CB-CE3 3.94Å; R466-W592 HydrophobicContact CB-CH2 4.35Å; R466-W592 HydrophobicContact CB-CZ3 3.7Å; R466-W592 HydrophobicContact CG-CE3 4.48Å; A521-W592 HydrophobicContact CB-CZ2 4.1Å; A521-W592 WeakPolarHBondContact O-CZ2 3.3Å; H522-W592 PolarHBondContact O-NE1 3.04Å; H522-W592 VanDerWaalsContact O-NE1 3.15Å; L524-W592 HydrophobicContact CD1-CB 4Å; L524-W592 HydrophobicContact CD1-CD2 4.09Å; L524-W592 HydrophobicContact CD1-CG 3.58Å; L524-W592 HydrophobicContact CD2-CZ2 4.38Å; L524-W592 HydrophobicContact CG-CG 4.3Å; W592-S601 WeakPolarHBondContact O-CB 3.33Å; W592-S602 WeakPolarHBondContact CB-O 3.48Å; W592-S602 PolarHBondContact O-N 2.86Å; W592-T603 PolarHBondContact NE1-O 3.26Å; W592-L604 VanDerWaalsContact CD1-C 3.49Å; W592-L605 HydrophobicContact CD2-CD1 3.92Å; W592-L605 HydrophobicContact CE3-CD1 4.08Å; W592-L605 HydrophobicContact CH2-CD1 4.07Å; W592-L605 HydrophobicContact CH2-CD2 4.41Å; W592-L605 HydrophobicContact CZ2-CB 3.84Å; W592-L605 HydrophobicContact CZ2-CD1 3.91Å; W592-L605 HydrophobicContact CZ2-CD2 4.18Å; W592-L605 HydrophobicContact CZ2-CG 4.18Å; W592-L605 HydrophobicContact CZ3-CD1 4.15Å; W592-D644 PolarHBondContact N-OD1 2.96Å |
| 593 | G | 76.2 | Confident | 73.6 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -67.9 | -170.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | S601 S602 Q642 D644 | G593-S601 CarbonylContact O-C 3.56Å; G593-S601 WeakPolarHBondContact O-CA 3.21Å; G593-S602 PolarHBondContact O-N 2.8Å; G593-Q642 CarbonylContact C-O 3.59Å; G593-Q642 WeakPolarHBondContact CA-O 3.48Å; G593-D644 VanDerWaalsContact CA-OD1 3.27Å; G593-D644 WeakPolarHBondContact CA-OD1 2.81Å; G593-D644 PolarHBondContact N-OD1 3Å | ||
| 594 | T | 62.1 | Low | 73.6 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.018 | 22% | 0.217 | C | C | . | . | B | Isolated β-bridge | trans | -78.4 | 150.4 | -177.6 | 55.4 | 0 | 0 | 0 | 0 | 112.8 | G599 C641 Q642 | T594-G599 WeakPolarHBondContact CG2-O 3.22Å; T594-C641 WeakPolarHBondContact O-CB 3.38Å; T594-C641 PolarHBondContact OG1-SG 3.26Å; T594-Q642 HydrophobicContact CG2-CB 3.72Å; T594-Q642 PolarHBondContact N-O 3.15Å; T594-Q642 VanDerWaalsContact OG1-CB 3.28Å; T594-Q642 WeakPolarHBondContact OG1-CB 3.5Å; T594-Q642 PolarHBondContact OG1-N 3.37Å; T594-Q642 PolarHBondContact OG1-OE1 3.25Å |
| 595 | T | 58 | Low | 74.1 | Confident | 24 Ų | 24 | 34.5 Ų | 34.5 | 15% | 0.147 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -85.5 | -23.3 | -165 | 121.2 | 0 | 0 | 0 | 0 | 116 | R448 R449 K600 | R448-T595 WeakPolarHBondContact O-CB 3.33Å; R448-T595 PolarHBondContact O-OG1 2.94Å; R449-T595 VanDerWaalsContact CB-CB 3.46Å; R449-T595 HydrophobicContact CB-CG2 3.75Å; R449-T595 HydrophobicContact CG-CG2 3.88Å; T595-K600 WeakPolarHBondContact CG2-O 3.28Å |
| 596 | I | 47.5 | Very low | 74.3 | Confident | 85 Ų | 85 | 33.8 Ų | 33.8 | 44% | 0.436 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -150.3 | 156.1 | -176 | 51.1 | 179.2 | 0 | 0 | 0 | 103.2 | E598 G599 | I596-E598 PolarHBondContact O-N 3.23Å; I596-G599 PolarHBondContact O-N 3.33Å |
| 597 | E | 53.5 | Low | 74.5 | Confident | 48 Ų | 48 | 29.6 Ų | 29.6 | 22% | 0.224 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 130.9 | 169.5 | -154.9 | 179.8 | 156.1 | 0 | 0 | 108.9 | G599 G668 C669 R671 | E597-G599 PolarHBondContact O-N 3.24Å; E597-G668 WeakPolarHBondContact OE1-CA 3.45Å; E597-C669 HydrophobicContact CB-CB 4.32Å; E597-C669 HydrophobicContact CG-CB 4.41Å; E597-C669 PolarHBondContact OE2-N 3.46Å; E597-R671 IonicContact OE1-CZ 3.54Å; E597-R671 IonicContact OE1-NE 2.75Å; E597-R671 IonicContact OE1-NH2 3.27Å; E597-R671 PolarHBondContact OE1-NH2 3Å; E597-R671 IonicContact OE2-CZ 2.89Å; E597-R671 IonicContact OE2-NE 2.62Å; E597-R671 PolarHBondContact OE2-NE 3.29Å; E597-R671 IonicContact OE2-NH2 3.92Å; E597-R671 PolarHBondContact OE2-NH2 2.8Å |
| 598 | E | 55.2 | Low | 74.2 | Confident | 71 Ų | 71 | 29.5 Ų | 29.5 | 33% | 0.332 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 12.1 | -178.4 | -36.9 | -174.9 | 163.2 | 0 | 0 | 115.2 | H162 S163 I596 Q642 | H162-E598 VanDerWaalsContact CA-OE1 3.3Å; H162-E598 WeakPolarHBondContact CA-OE1 3.33Å; H162-E598 WeakPolarHBondContact CB-OE2 3.42Å; H162-E598 PolarHBondContact N-OE1 3.19Å; H162-E598 VanDerWaalsContact O-CG 3.26Å; H162-E598 WeakPolarHBondContact O-CG 3.44Å; S163-E598 PolarHBondContact N-OE1 3.29Å; I596-E598 PolarHBondContact O-N 3.23Å; E598-Q642 VanDerWaalsContact N-OE1 3.15Å |
| 599 | G | 51.4 | Low | 73.8 | Confident | 16 Ų | 16 | 30.4 Ų | 30.4 | 17% | 0.165 | 16% | 0.159 | C | C | . | . | trans | -78.5 | -177.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | T594 I596 E597 | T594-G599 WeakPolarHBondContact CG2-O 3.22Å; I596-G599 PolarHBondContact O-N 3.33Å; E597-G599 PolarHBondContact O-N 3.24Å | ||
| 600 | K | 52.8 | Low | 73.6 | Confident | 170 Ų | 170 | 30.4 Ų | 30.4 | 74% | 0.739 | 16% | 0.159 | S | C | * | . | P | Polyproline II helix | trans | -80.8 | 147.8 | 167.2 | -70 | -168.8 | 174.3 | -168.7 | 0 | 110.8 | T595 | T595-K600 WeakPolarHBondContact CG2-O 3.28Š|
| 601 | S | 66.7 | Low | 73.5 | Confident | 56 Ų | 56 | 32.8 Ų | 32.8 | 39% | 0.392 | 18% | 0.175 | S | C | . | . | B | Isolated β-bridge | trans | -66.3 | 154.5 | 172.4 | -58.9 | 0 | 0 | 0 | 0 | 112.4 | W592 G593 | W592-S601 WeakPolarHBondContact O-CB 3.33Å; G593-S601 CarbonylContact O-C 3.56Å; G593-S601 WeakPolarHBondContact O-CA 3.21Å |
| 602 | S | 73.7 | Confident | 73.5 | Confident | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -79.7 | 141.7 | 173.5 | -163.6 | 0 | 0 | 0 | 0 | 112 | W592 G593 L604 | W592-S602 WeakPolarHBondContact CB-O 3.48Å; W592-S602 PolarHBondContact O-N 2.86Å; G593-S602 PolarHBondContact O-N 2.8Å; S602-L604 WeakPolarHBondContact CB-O 3.37Å; S602-L604 PolarHBondContact OG-N 2.83Å; S602-L604 PolarHBondContact OG-O 3.04Å |
| 603 | T | 82.8 | Confident | 73.6 | Confident | 39 Ų | 39 | 33.7 Ų | 33.7 | 24% | 0.239 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -87 | -29.6 | 167.5 | 63.5 | 0 | 0 | 0 | 0 | 111.6 | D523 L524 N525 W592 | D523-T603 PolarHBondContact OD1-OG1 2.94Å; L524-T603 WeakPolarHBondContact CB-O 3.24Å; L524-T603 VanDerWaalsContact CG-O 3.26Å; L524-T603 WeakPolarHBondContact CG-O 3.45Å; L524-T603 PolarHBondContact N-O 3.41Å; N525-T603 WeakPolarHBondContact ND2-CB 3.3Å; N525-T603 WeakPolarHBondContact ND2-CG2 3.41Å; N525-T603 PolarHBondContact ND2-OG1 3.4Å; N525-T603 VanDerWaalsContact ND2-OG1 3.15Å; N525-T603 WeakPolarHBondContact OD1-CG2 3.36Å; W592-T603 PolarHBondContact NE1-O 3.26Å |
| 604 | L | 84.3 | Confident | 74 | Confident | 39 Ų | 39 | 37.7 Ų | 37.7 | 20% | 0.204 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -90.1 | 138.9 | 175.5 | -64.2 | 161.6 | 0 | 0 | 0 | 110.2 | E455 H522 D523 W592 S602 R606 | E455-L604 HydrophobicContact CG-CB 4.15Å; E455-L604 VanDerWaalsContact OE2-CD1 3.26Å; E455-L604 WeakPolarHBondContact OE2-CD1 3.04Å; H522-L604 CarbonylContact O-C 3.48Å; H522-L604 WeakPolarHBondContact O-CA 3.44Å; D523-L604 HydrophobicContact CB-CD2 3.5Å; D523-L604 VanDerWaalsContact CG-CD2 3.45Å; W592-L604 VanDerWaalsContact CD1-C 3.49Å; S602-L604 WeakPolarHBondContact CB-O 3.37Å; S602-L604 PolarHBondContact OG-N 2.83Å; S602-L604 PolarHBondContact OG-O 3.04Å; L604-R606 VanDerWaalsContact O-CG 3.32Å; L604-R606 WeakPolarHBondContact O-CG 3.37Å |
| 605 | L | 87.7 | Confident | 75.1 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | trans | -65.5 | 132.5 | 178.9 | 178.2 | 57.4 | 0 | 0 | 0 | 111.1 | E455 A456 I461 Q464 H522 G591 W592 | E455-L605 VanDerWaalsContact CG-O 3.24Å; E455-L605 WeakPolarHBondContact CG-O 3.07Å; A456-L605 HydrophobicContact CB-CB 4.41Å; A456-L605 HydrophobicContact CB-CD2 4.29Å; A456-L605 HydrophobicContact CB-CG 4.01Å; A456-L605 PolarHBondContact N-O 3.25Å; I461-L605 HydrophobicContact CB-CD2 4.16Å; I461-L605 HydrophobicContact CD1-CD2 4.46Å; Q464-L605 HydrophobicContact CB-CD2 4.09Å; Q464-L605 HydrophobicContact CG-CD1 3.73Å; Q464-L605 HydrophobicContact CG-CD2 4.11Å; H522-L605 PolarHBondContact O-N 3Å; G591-L605 WeakPolarHBondContact O-CD1 3.14Å; W592-L605 HydrophobicContact CD2-CD1 3.92Å; W592-L605 HydrophobicContact CE3-CD1 4.08Å; W592-L605 HydrophobicContact CH2-CD1 4.07Å; W592-L605 HydrophobicContact CH2-CD2 4.41Å; W592-L605 HydrophobicContact CZ2-CB 3.84Å; W592-L605 HydrophobicContact CZ2-CD1 3.91Å; W592-L605 HydrophobicContact CZ2-CD2 4.18Å; W592-L605 HydrophobicContact CZ2-CG 4.18Å; W592-L605 HydrophobicContact CZ3-CD1 4.15Å | ||
| 606 | R | 83.7 | Confident | 76.3 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 1% | 0.011 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 164.1 | -176.3 | -59.1 | -153.6 | 85.9 | 88.6 | -11.2 | 112.5 | G447 R449 I450 W454 E455 S590 G591 L604 | G447-R606 PolarHBondContact O-NE 2.93Å; G447-R606 PolarHBondContact O-NH2 3.42Å; R449-R606 VanDerWaalsContact CA-CD 3.44Å; R449-R606 HydrophobicContact CB-CG 4.41Å; I450-R606 HydrophobicContact CG1-CB 4.18Å; W454-R606 VanDerWaalsContact O-CA 3.31Å; W454-R606 WeakPolarHBondContact O-CA 3.29Å; W454-R606 WeakPolarHBondContact O-CB 3.47Å; W454-R606 PolarHBondContact O-NE 3.49Å; E455-R606 VanDerWaalsContact N-NH2 3.13Å; E455-R606 IonicContact OE2-NH1 2.8Å; E455-R606 PolarHBondContact OE2-NH1 2.94Å; S590-R606 CarbonylContact C-O 3.58Å; S590-R606 WeakPolarHBondContact CA-O 3.42Å; S590-R606 WeakPolarHBondContact CB-O 3.07Å; G591-R606 PolarHBondContact N-O 3.28Å; G591-R606 PolarHBondContact O-N 3.37Å; L604-R606 VanDerWaalsContact O-CG 3.32Å; L604-R606 WeakPolarHBondContact O-CG 3.37Å |
| 607 | M | 86.3 | Confident | 78.1 | Confident | 30 Ų | 30 | 45.1 Ų | 45.1 | 15% | 0.148 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 155.7 | 175.8 | 66.6 | -171.4 | -61 | 0 | 0 | 111.6 | G453 W454 I461 F588 V589 | G453-M607 CarbonylContact C-O 3.48Å; G453-M607 WeakPolarHBondContact CA-O 3.4Å; W454-M607 HydrophobicContact CD2-CG 4.28Å; W454-M607 HydrophobicContact CG-CG 4.43Å; W454-M607 HydrophobicContact CZ2-CE 4.18Å; W454-M607 HydrophobicContact CZ2-CG 3.97Å; W454-M607 HydrophobicContact CZ2-SD 4.32Å; W454-M607 PolarHBondContact N-O 2.9Å; W454-M607 VanDerWaalsContact NE1-CG 3.29Å; W454-M607 PolarHBondContact NE1-SD 3.29Å; W454-M607 VanDerWaalsContact NE1-SD 3.44Å; W454-M607 PolarHBondContact O-N 3.09Å; I461-M607 HydrophobicContact CD1-CB 4.15Å; I461-M607 HydrophobicContact CD1-SD 4.09Å; F588-M607 HydrophobicContact CB-CE 3.91Å; F588-M607 HydrophobicContact CD1-CE 3.7Å; F588-M607 HydrophobicContact CD2-CE 4.41Å; F588-M607 HydrophobicContact CE1-CE 4.33Å; F588-M607 HydrophobicContact CG-CE 3.74Å; V589-M607 CarbonylContact O-C 3.49Å; V589-M607 WeakPolarHBondContact O-CA 3.38Å; V589-M607 WeakPolarHBondContact O-CB 3.18Å |
| 608 | V | 83.2 | Confident | 79.7 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 150.7 | 171.7 | 72.6 | 0 | 0 | 0 | 0 | 109.8 | I450 F588 V589 K638 | I450-V608 HydrophobicContact CB-CB 4.21Å; I450-V608 HydrophobicContact CB-CG1 4.31Å; I450-V608 HydrophobicContact CG2-CB 3.81Å; I450-V608 HydrophobicContact CG2-CG1 3.45Å; I450-V608 VanDerWaalsContact CG2-CG1 3.45Å; F588-V608 CarbonylContact C-O 3.51Å; F588-V608 WeakPolarHBondContact CA-O 3.49Å; V589-V608 HydrophobicContact CB-CG1 4.27Å; V589-V608 PolarHBondContact N-O 3.46Å; V589-V608 PolarHBondContact O-N 3.29Å; V608-K638 HydrophobicContact CG2-CB 3.98Å; V608-K638 HydrophobicContact CG2-CD 4.23Å; V608-K638 HydrophobicContact CG2-CG 4.26Å |
| 609 | D | 83.6 | Confident | 81.2 | Confident | 41 Ų | 41 | 43.8 Ų | 43.8 | 22% | 0.219 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 126 | 163.6 | 57.8 | -58.5 | 0 | 0 | 0 | 110.4 | W454 C587 F588 K638 | W454-D609 HydrophobicContact CH2-CB 4.01Å; W454-D609 VanDerWaalsContact CH2-N 3.32Å; W454-D609 HydrophobicContact CZ3-CB 4.48Å; W454-D609 VanDerWaalsContact CZ3-OD1 3.24Å; W454-D609 WeakPolarHBondContact CZ3-OD1 3.28Å; C587-D609 WeakPolarHBondContact O-CA 3.4Å; F588-D609 HydrophobicContact CD1-CB 4.25Å; F588-D609 HydrophobicContact CE1-CB 4.2Å; D609-K638 WeakPolarHBondContact OD1-CD 3.35Å; D609-K638 WeakPolarHBondContact OD1-CE 3.41Å; D609-K638 IonicContact OD1-NZ 2.81Å; D609-K638 PolarHBondContact OD1-NZ 2.94Å; D609-K638 IonicContact OD2-NZ 3.41Å; D609-K638 PolarHBondContact OD2-NZ 3.06Å |
| 610 | A | 87.2 | Confident | 82.8 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -134.1 | 81.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | C587 V589 A631 L649 | C587-A610 VanDerWaalsContact CB-O 3.3Å; C587-A610 WeakPolarHBondContact CB-O 3.19Å; C587-A610 PolarHBondContact O-N 3.39Å; V589-A610 HydrophobicContact CG2-CB 3.85Å; A610-A631 HydrophobicContact CB-CB 4.33Å; A610-L649 HydrophobicContact CB-CD1 4.24Å | ||
| 611 | P | 88.3 | Confident | 84.1 | Confident | 53 Ų | 53 | 40.9 Ų | 40.9 | 34% | 0.344 | 22% | 0.224 | S | C | . | . | P | Polyproline II helix | trans | -63.7 | 145.1 | 178 | 27.4 | -33 | 0 | 0 | 0 | 110.1 | I613 A631 G632 | P611-I613 PolarHBondContact O-N 3.31Å; P611-A631 CarbonylContact O-C 3.52Å; P611-A631 VanDerWaalsContact O-CA 3.25Å; P611-A631 WeakPolarHBondContact O-CA 3.22Å; P611-A631 WeakPolarHBondContact O-CB 3.31Å; P611-G632 WeakPolarHBondContact CG-O 3.38Å; P611-G632 PolarHBondContact O-N 3.2Å |
| 612 | I | 91.9 | Very high | 84.5 | Confident | 11 Ų | 11 | 43.5 Ų | 43.5 | 6% | 0.056 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | -70.9 | 127.8 | -180 | -59.9 | -178.5 | 0 | 0 | 0 | 108.8 | L581 P582 T583 F629 L649 | L581-I612 HydrophobicContact CB-CD1 3.99Å; L581-I612 HydrophobicContact CB-CG2 4.25Å; L581-I612 HydrophobicContact CD1-CG2 4.02Å; L581-I612 HydrophobicContact CD2-CD1 4.34Å; P582-I612 HydrophobicContact CG-CD1 4.46Å; T583-I612 HydrophobicContact CG2-CG2 4.15Å; I612-F629 HydrophobicContact CD1-CE2 4.04Å; I612-F629 HydrophobicContact CG1-CD2 4.36Å; I612-F629 HydrophobicContact CG1-CE2 3.91Å; I612-F629 HydrophobicContact CG2-CD2 3.89Å; I612-F629 HydrophobicContact CG2-CE2 4.3Å; I612-L649 HydrophobicContact CG1-CD2 4.5Å |
| 613 | I | 88.7 | Confident | 84.8 | Confident | 13 Ų | 13 | 52.5 Ų | 52.5 | 7% | 0.067 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -90.6 | 143.2 | 178.7 | -66.6 | 166.7 | 0 | 0 | 0 | 108.3 | P611 E617 C630 L634 P675 | P611-I613 PolarHBondContact O-N 3.31Å; I613-E617 HydrophobicContact CG2-CB 3.66Å; I613-C630 HydrophobicContact CB-CB 4.06Å; I613-C630 HydrophobicContact CD1-CB 4.4Å; I613-C630 HydrophobicContact CG2-CB 4.44Å; I613-C630 PolarHBondContact N-O 3.03Å; I613-L634 HydrophobicContact CD1-CD2 4.04Å; I613-L634 HydrophobicContact CD1-CG 4.19Å; I613-L634 HydrophobicContact CG2-CD2 4.24Å; I613-L634 HydrophobicContact CG2-CG 4.49Å; I613-P675 HydrophobicContact CD1-CB 3.48Å; I613-P675 VanDerWaalsContact CD1-CB 3.48Å; I613-P675 HydrophobicContact CD1-CG 3.6Å |
| 614 | N | 86 | Confident | 84.9 | Confident | 84 Ų | 84 | 51.7 Ų | 51.7 | 45% | 0.449 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 142.7 | 177.2 | -68.5 | -58.1 | 0 | 0 | 0 | 110.8 | S616 E617 C618 | N614-S616 PolarHBondContact O-N 2.91Å; N614-E617 PolarHBondContact O-N 3.33Å; N614-C618 PolarHBondContact O-N 3.24Å |
| 615 | D | 84.5 | Confident | 84.7 | Confident | 52 Ų | 52 | 52.2 Ų | 52.2 | 28% | 0.278 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -56.4 | -31 | -176.3 | -67.7 | -34.9 | 0 | 0 | 0 | 112.5 | E617 C618 Q625 R680 | D615-E617 VanDerWaalsContact C-N 3.29Å; D615-E617 PolarHBondContact O-N 3.41Å; D615-C618 WeakPolarHBondContact O-CB 3.28Å; D615-C618 PolarHBondContact O-N 3.3Å; D615-Q625 HydrophobicContact CB-CG 4.45Å; D615-R680 VanDerWaalsContact CG-NH2 3.29Å; D615-R680 IonicContact OD1-CZ 3.35Å; D615-R680 IonicContact OD1-NH2 3.58Å; D615-R680 PolarHBondContact OD1-NH2 2.97Å; D615-R680 IonicContact OD2-CZ 2.71Å; D615-R680 IonicContact OD2-NH1 3.57Å; D615-R680 IonicContact OD2-NH2 3.79Å; D615-R680 PolarHBondContact OD2-NH2 3.15Å; D615-R680 VanDerWaalsContact OD2-NH2 3.08Å |
| 616 | S | 84.1 | Confident | 84.6 | Confident | 114 Ų | 114 | 59.5 Ų | 59.5 | 80% | 0.797 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -70.2 | -14.5 | 175.3 | 57.7 | 0 | 0 | 0 | 0 | 115.9 | N614 | N614-S616 PolarHBondContact O-N 2.91Š|
| 617 | E | 84.2 | Confident | 85 | Confident | 102 Ų | 102 | 61.7 Ų | 61.7 | 48% | 0.477 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -107 | -1.9 | 174.2 | -63.1 | -179.6 | 117 | 0 | 0 | 111.7 | I613 N614 D615 L634 | I613-E617 HydrophobicContact CG2-CB 3.66Å; N614-E617 PolarHBondContact O-N 3.33Å; D615-E617 VanDerWaalsContact C-N 3.29Å; D615-E617 PolarHBondContact O-N 3.41Å; E617-L634 HydrophobicContact CB-CD1 3.96Å; E617-L634 HydrophobicContact CG-CD1 4.31Å |
| 618 | C | 87.9 | Confident | 85.3 | Confident | 11 Ų | 11 | 60.3 Ų | 60.3 | 7% | 0.074 | 30% | 0.301 | C | S | . | . | trans | -82 | 127.1 | 176.9 | -170.9 | 0 | 0 | 0 | 0 | 110.1 | N614 D615 V620 C630 | N614-C618 PolarHBondContact O-N 3.24Å; D615-C618 WeakPolarHBondContact O-CB 3.28Å; D615-C618 PolarHBondContact O-N 3.3Å; C618-V620 HydrophobicContact CB-CG2 4.46Å; C618-V620 PolarHBondContact O-N 3.23Å; C618-V620 VanDerWaalsContact O-N 3.12Å; C618-V620 VanDerWaalsContact SG-CG2 3.56Å; C618-C630 WeakPolarHBondContact CA-SG 3.38Å; C618-C630 HydrophobicContact CB-CB 3.63Å; C618-C630 WeakPolarHBondContact CB-SG 3.47Å; C618-C630 WeakPolarHBondContact SG-CB 3.43Å; C618-C630 PolarHBondContact SG-N 3.3Å; C618-C630 CovalentContact SG-SG 2.03Å; C618-C630 PolarHBondContact SG-SG 2.88Å | ||
| 619 | Y | 86.9 | Confident | 85.8 | Confident | 80 Ų | 80 | 60.3 Ų | 60.3 | 31% | 0.314 | 30% | 0.301 | S | S | . | . | trans | -74.1 | -0.6 | -173.3 | 76.5 | -85.3 | 0 | 0 | 0 | 114.7 | A667 Y674 P675 V677 | Y619-A667 HydrophobicContact CE2-CB 4.16Å; Y619-A667 PolarHBondContact OH-N 3.48Å; Y619-Y674 HydrophobicContact CD1-CD1 4.18Å; Y619-Y674 AromaticContact CD2-CD1 3.94Å; Y619-Y674 HydrophobicContact CD2-CD1 3.94Å; Y619-Y674 HydrophobicContact CD2-CE1 4.22Å; Y619-Y674 HydrophobicContact CE1-CD1 4.38Å; Y619-Y674 HydrophobicContact CE2-CD1 4.16Å; Y619-Y674 AromaticContact CG-CD1 3.96Å; Y619-Y674 HydrophobicContact CG-CD1 3.96Å; Y619-Y674 HydrophobicContact CG-CE1 4.44Å; Y619-P675 HydrophobicContact CD1-CG 4.47Å; Y619-P675 WeakPolarHBondContact CE1-O 3.48Å; Y619-V677 HydrophobicContact CE1-CG2 3.75Å | ||
| 620 | V | 84.4 | Confident | 86.3 | Confident | 12 Ų | 12 | 58.4 Ų | 58.4 | 7% | 0.073 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -74.9 | 148.7 | -179.9 | -55.2 | 0 | 0 | 0 | 0 | 110.9 | C618 L624 Q625 V628 F665 V677 | C618-V620 HydrophobicContact CB-CG2 4.46Å; C618-V620 PolarHBondContact O-N 3.23Å; C618-V620 VanDerWaalsContact O-N 3.12Å; C618-V620 VanDerWaalsContact SG-CG2 3.56Å; V620-L624 HydrophobicContact CG2-CB 4.49Å; V620-Q625 HydrophobicContact CG2-CG 4.28Å; V620-V628 HydrophobicContact CB-CG2 4.45Å; V620-V628 HydrophobicContact CG1-CG2 4.26Å; V620-V628 HydrophobicContact CG2-CG2 4.03Å; V620-F665 HydrophobicContact CG1-CE2 4.15Å; V620-F665 HydrophobicContact CG1-CZ 4.14Å; V620-V677 HydrophobicContact CG1-CG1 3.97Å; V620-V677 HydrophobicContact CG1-CG2 3.69Å |
| 621 | H | 79.4 | Confident | 86.4 | Confident | 114 Ų | 114 | 58.4 Ų | 58.4 | 53% | 0.528 | 29% | 0.29 | S | S | . | . | trans | -64.1 | 138.1 | 177 | -170.1 | -22.7 | 0 | 0 | 0 | 110.7 | R623 L624 | H621-R623 PolarHBondContact O-N 2.92Å; H621-L624 HydrophobicContact CB-CD2 4.44Å; H621-L624 PolarHBondContact O-N 3.3Å | ||
| 622 | D | 76.4 | Confident | 86.2 | Confident | 110 Ų | 110 | 56 Ų | 56 | 59% | 0.588 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -43.5 | -35.8 | -177.4 | -52.2 | -42.1 | 0 | 0 | 0 | 116 | L624 Q625 | D622-L624 PolarHBondContact O-N 3.43Å; D622-L624 VanDerWaalsContact O-N 3.11Å; D622-Q625 WeakPolarHBondContact O-CB 3.49Å; D622-Q625 PolarHBondContact O-N 3.48Å; D622-Q625 VanDerWaalsContact O-N 3.08Å; D622-Q625 PolarHBondContact OD1-NE2 2.89Å |
| 623 | R | 80.6 | Confident | 85.4 | Confident | 192 Ų | 192 | 57.3 Ų | 57.3 | 73% | 0.725 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -55.4 | -28.7 | 176.1 | -96 | -170.2 | -75.5 | -177.6 | -4.7 | 114 | H621 | H621-R623 PolarHBondContact O-N 2.92Š|
| 624 | L | 84.1 | Confident | 84.8 | Confident | 22 Ų | 22 | 59.6 Ų | 59.6 | 12% | 0.115 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -89.8 | -13.1 | -179.5 | -74.6 | -122.5 | 0 | 0 | 0 | 114 | E551 V620 H621 D622 Q626 M627 V628 | E551-L624 HydrophobicContact CB-CD1 4.08Å; V620-L624 HydrophobicContact CG2-CB 4.49Å; H621-L624 HydrophobicContact CB-CD2 4.44Å; H621-L624 PolarHBondContact O-N 3.3Å; D622-L624 PolarHBondContact O-N 3.43Å; D622-L624 VanDerWaalsContact O-N 3.11Å; L624-Q626 PolarHBondContact O-N 3.41Å; L624-Q626 VanDerWaalsContact O-N 3.08Å; L624-M627 WeakPolarHBondContact O-CA 3.47Å; L624-M627 PolarHBondContact O-N 2.89Å; L624-V628 HydrophobicContact CB-CG2 3.93Å; L624-V628 HydrophobicContact CD1-CG1 4.44Å; L624-V628 PolarHBondContact O-N 2.9Å |
| 625 | Q | 79 | Confident | 84.2 | Confident | 50 Ų | 50 | 66.3 Ų | 66.3 | 23% | 0.234 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -25.1 | -171.8 | -73.9 | 167.2 | 2 | 0 | 0 | 113.8 | D615 V620 D622 R680 | D615-Q625 HydrophobicContact CB-CG 4.45Å; V620-Q625 HydrophobicContact CG2-CG 4.28Å; D622-Q625 WeakPolarHBondContact O-CB 3.49Å; D622-Q625 PolarHBondContact O-N 3.48Å; D622-Q625 VanDerWaalsContact O-N 3.08Å; D622-Q625 PolarHBondContact OD1-NE2 2.89Å; Q625-R680 VanDerWaalsContact O-CZ 3.23Å; Q625-R680 PolarHBondContact O-NE 2.86Å; Q625-R680 PolarHBondContact O-NH2 2.72Å |
| 626 | Q | 85.6 | Confident | 83.4 | Confident | 156 Ų | 156 | 64.1 Ų | 64.1 | 73% | 0.729 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -23.1 | 173.9 | -62.4 | -176 | 4.4 | 0 | 0 | 113.5 | L624 T683 | L624-Q626 PolarHBondContact O-N 3.41Å; L624-Q626 VanDerWaalsContact O-N 3.08Å; Q626-T683 WeakPolarHBondContact O-CG2 3.39Å; Q626-T683 PolarHBondContact O-OG1 2.7Å |
| 627 | M | 92 | Very high | 82.3 | Confident | 48 Ų | 48 | 60.8 Ų | 60.8 | 24% | 0.236 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -27.7 | -171.4 | -66.6 | -178.5 | -172.3 | 0 | 0 | 112.8 | E551 L624 R680 Y684 | E551-M627 HydrophobicContact CB-SD 3.66Å; E551-M627 HydrophobicContact CG-SD 4.23Å; L624-M627 WeakPolarHBondContact O-CA 3.47Å; L624-M627 PolarHBondContact O-N 2.89Å; M627-R680 WeakPolarHBondContact O-CB 3.23Å; M627-R680 PolarHBondContact O-N 2.88Å; M627-Y684 VanDerWaalsContact CB-OH 3.27Å; M627-Y684 WeakPolarHBondContact CB-OH 3.36Å; M627-Y684 WeakPolarHBondContact CG-OH 3.45Å |
| 628 | V | 93.7 | Very high | 81.5 | Confident | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 170.6 | 179.3 | -48.6 | 0 | 0 | 0 | 0 | 111.7 | V620 L624 F665 V677 Y678 R680 | V620-V628 HydrophobicContact CB-CG2 4.45Å; V620-V628 HydrophobicContact CG1-CG2 4.26Å; V620-V628 HydrophobicContact CG2-CG2 4.03Å; L624-V628 HydrophobicContact CB-CG2 3.93Å; L624-V628 HydrophobicContact CD1-CG1 4.44Å; L624-V628 PolarHBondContact O-N 2.9Å; V628-F665 HydrophobicContact CG1-CE1 4.36Å; V628-V677 HydrophobicContact CB-CG1 3.63Å; V628-V677 HydrophobicContact CG1-CG1 4.25Å; V628-V677 HydrophobicContact CG2-CG1 3.51Å; V628-Y678 CarbonylContact C-O 3.51Å; V628-Y678 WeakPolarHBondContact CA-O 3.33Å; V628-Y678 WeakPolarHBondContact CB-O 3.46Å; V628-R680 PolarHBondContact O-NE 2.88Å; V628-R680 PolarHBondContact O-NH2 3.27Å |
| 629 | F | 94.1 | Very high | 80.5 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 161.8 | 169.4 | 64.8 | -84.6 | 0 | 0 | 0 | 110.4 | L581 I612 A631 L649 Y660 V677 Y678 R680 | L581-F629 HydrophobicContact CD1-CB 3.6Å; L581-F629 HydrophobicContact CD1-CD1 3.71Å; L581-F629 HydrophobicContact CD1-CD2 3.87Å; L581-F629 HydrophobicContact CD1-CE1 4.31Å; L581-F629 HydrophobicContact CD1-CE2 4.44Å; L581-F629 HydrophobicContact CD1-CG 3.45Å; L581-F629 VanDerWaalsContact CD1-CG 3.45Å; L581-F629 HydrophobicContact CD2-CD1 4.35Å; L581-F629 HydrophobicContact CD2-CE1 4.22Å; L581-F629 HydrophobicContact CD2-CZ 4.49Å; I612-F629 HydrophobicContact CD1-CE2 4.04Å; I612-F629 HydrophobicContact CG1-CD2 4.36Å; I612-F629 HydrophobicContact CG1-CE2 3.91Å; I612-F629 HydrophobicContact CG2-CD2 3.89Å; I612-F629 HydrophobicContact CG2-CE2 4.3Å; F629-A631 HydrophobicContact CD2-CB 4.45Å; F629-A631 HydrophobicContact CE2-CB 4.15Å; F629-L649 HydrophobicContact CE2-CD1 4.2Å; F629-L649 HydrophobicContact CE2-CD2 4.36Å; F629-L649 HydrophobicContact CZ-CD1 4.49Å; F629-L649 HydrophobicContact CZ-CD2 4.24Å; F629-Y660 WeakPolarHBondContact CE1-O 3.19Å; F629-V677 WeakPolarHBondContact O-CA 3.09Å; F629-Y678 HydrophobicContact CE2-CD2 4.34Å; F629-Y678 HydrophobicContact CE2-CG 4.34Å; F629-Y678 HydrophobicContact CZ-CG 4.31Å; F629-Y678 PolarHBondContact N-O 2.7Å; F629-Y678 PolarHBondContact O-N 3.19Å; F629-R680 HydrophobicContact CD1-CB 4.02Å; F629-R680 HydrophobicContact CD1-CG 4.16Å; F629-R680 HydrophobicContact CE1-CB 4.48Å |
| 630 | C | 92.8 | Very high | 79.7 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 144.4 | 174.6 | -71.8 | 0 | 0 | 0 | 0 | 111.5 | I613 C618 P675 G676 | I613-C630 HydrophobicContact CB-CB 4.06Å; I613-C630 HydrophobicContact CD1-CB 4.4Å; I613-C630 HydrophobicContact CG2-CB 4.44Å; I613-C630 PolarHBondContact N-O 3.03Å; C618-C630 WeakPolarHBondContact CA-SG 3.38Å; C618-C630 HydrophobicContact CB-CB 3.63Å; C618-C630 WeakPolarHBondContact CB-SG 3.47Å; C618-C630 WeakPolarHBondContact SG-CB 3.43Å; C618-C630 PolarHBondContact SG-N 3.3Å; C618-C630 CovalentContact SG-SG 2.03Å; C618-C630 PolarHBondContact SG-SG 2.88Å; C630-P675 HydrophobicContact CB-CB 4.41Å; C630-P675 HydrophobicContact CB-CG 3.73Å; C630-G676 WeakPolarHBondContact CA-O 3.3Å |
| 631 | A | 90.8 | Very high | 79.2 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 151.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A610 P611 F629 L649 G676 Y678 | A610-A631 HydrophobicContact CB-CB 4.33Å; P611-A631 CarbonylContact O-C 3.52Å; P611-A631 VanDerWaalsContact O-CA 3.25Å; P611-A631 WeakPolarHBondContact O-CA 3.22Å; P611-A631 WeakPolarHBondContact O-CB 3.31Å; F629-A631 HydrophobicContact CD2-CB 4.45Å; F629-A631 HydrophobicContact CE2-CB 4.15Å; A631-L649 HydrophobicContact CB-CD1 3.45Å; A631-L649 VanDerWaalsContact CB-CD1 3.45Å; A631-G676 PolarHBondContact N-O 3.01Å; A631-G676 PolarHBondContact O-N 3.48Å; A631-Y678 HydrophobicContact CB-CD2 3.86Å; A631-Y678 HydrophobicContact CB-CE2 3.59Å |
| 632 | G | 84.4 | Confident | 78.7 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | S | Bend | trans | 128.1 | -147.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | P611 | P611-G632 WeakPolarHBondContact CG-O 3.38Å; P611-G632 PolarHBondContact O-N 3.2Å |
| 633 | T | 74.8 | Confident | 78.5 | Confident | 40 Ų | 40 | 44.8 Ų | 44.8 | 25% | 0.245 | 22% | 0.216 | C | C | . | . | trans | -126 | 136.6 | 172.5 | 101.3 | 0 | 0 | 0 | 0 | 111.8 | R635 G636 K638 | T633-R635 PolarHBondContact O-N 2.85Å; T633-R635 VanDerWaalsContact O-N 3.14Å; T633-R635 PolarHBondContact OG1-N 3.43Å; T633-G636 PolarHBondContact O-N 2.91Å; T633-G636 PolarHBondContact OG1-N 3.01Å; T633-G636 PolarHBondContact OG1-O 2.71Å; T633-K638 HydrophobicContact CG2-CB 4.28Å; T633-K638 HydrophobicContact CG2-CD 4.35Å | ||
| 634 | L | 76.2 | Confident | 78.7 | Confident | 60 Ų | 60 | 35.6 Ų | 35.6 | 31% | 0.314 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -18.5 | 174.6 | -62.8 | 172.8 | 0 | 0 | 0 | 112.9 | I613 E617 G636 G673 P675 | I613-L634 HydrophobicContact CD1-CD2 4.04Å; I613-L634 HydrophobicContact CD1-CG 4.19Å; I613-L634 HydrophobicContact CG2-CD2 4.24Å; I613-L634 HydrophobicContact CG2-CG 4.49Å; E617-L634 HydrophobicContact CB-CD1 3.96Å; E617-L634 HydrophobicContact CG-CD1 4.31Å; L634-G636 PolarHBondContact O-N 3.37Å; L634-G673 PolarHBondContact O-N 2.83Å; L634-P675 HydrophobicContact CD2-CG 4.35Å |
| 635 | R | 72.2 | Confident | 79 | Confident | 225 Ų | 225 | 35.8 Ų | 35.8 | 85% | 0.849 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -0.3 | 172.5 | -63.8 | -175.5 | -179.4 | -178.2 | 1 | 113.1 | T633 | T633-R635 PolarHBondContact O-N 2.85Å; T633-R635 VanDerWaalsContact O-N 3.14Å; T633-R635 PolarHBondContact OG1-N 3.43Å |
| 636 | G | 67.5 | Low | 79.7 | Confident | 7 Ų | 7 | 33.4 Ų | 33.4 | 7% | 0.072 | 17% | 0.174 | C | C | . | . | trans | 69.6 | -156.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T633 L634 K638 A670 | T633-G636 PolarHBondContact O-N 2.91Å; T633-G636 PolarHBondContact OG1-N 3.01Å; T633-G636 PolarHBondContact OG1-O 2.71Å; L634-G636 PolarHBondContact O-N 3.37Å; G636-K638 PolarHBondContact O-N 3.07Å; G636-A670 CarbonylContact C-O 3.56Å; G636-A670 WeakPolarHBondContact CA-O 3.38Å | ||
| 637 | G | 61.1 | Low | 80.1 | Confident | 43 Ų | 43 | 26 Ų | 26 | 44% | 0.443 | 14% | 0.139 | S | C | . | . | S | Bend | trans | 72 | -17.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | G452 A670 | G452-G637 WeakPolarHBondContact CA-O 3.49Å; G452-G637 PolarHBondContact N-O 3.01Å; G637-A670 PolarHBondContact N-O 3.44Å |
| 638 | K | 67.5 | Low | 80.3 | Confident | 39 Ų | 39 | 23.7 Ų | 23.7 | 17% | 0.17 | 13% | 0.128 | C | C | . | . | trans | -131.9 | 123.8 | 170.4 | -58.9 | -171.3 | 179.6 | -168.9 | 0 | 111.6 | V451 V608 D609 T633 G636 | V451-K638 VanDerWaalsContact O-CA 3.26Å; V451-K638 WeakPolarHBondContact O-CA 3.44Å; V608-K638 HydrophobicContact CG2-CB 3.98Å; V608-K638 HydrophobicContact CG2-CD 4.23Å; V608-K638 HydrophobicContact CG2-CG 4.26Å; D609-K638 WeakPolarHBondContact OD1-CD 3.35Å; D609-K638 WeakPolarHBondContact OD1-CE 3.41Å; D609-K638 IonicContact OD1-NZ 2.81Å; D609-K638 PolarHBondContact OD1-NZ 2.94Å; D609-K638 IonicContact OD2-NZ 3.41Å; D609-K638 PolarHBondContact OD2-NZ 3.06Å; T633-K638 HydrophobicContact CG2-CB 4.28Å; T633-K638 HydrophobicContact CG2-CD 4.35Å; G636-K638 PolarHBondContact O-N 3.07Å | ||
| 639 | D | 66.6 | Low | 80.5 | Confident | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.011 | 13% | 0.127 | C | C | . | . | B | Isolated β-bridge | trans | -172.3 | 153.6 | 177.1 | -161.2 | 1.2 | 0 | 0 | 0 | 112.8 | I450 V451 A670 G676 | I450-D639 WeakPolarHBondContact CG2-O 3.08Å; V451-D639 PolarHBondContact N-O 3.05Å; V451-D639 PolarHBondContact O-N 2.95Å; D639-A670 VanDerWaalsContact CB-CA 3.47Å; D639-A670 HydrophobicContact CB-CB 3.5Å; D639-A670 PolarHBondContact OD2-N 2.03Å; D639-G676 VanDerWaalsContact OD1-CA 3.23Å; D639-G676 WeakPolarHBondContact OD1-CA 3.38Å; D639-G676 PolarHBondContact OD1-N 3.38Å; D639-G676 VanDerWaalsContact OD1-N 3.14Å; D639-G676 PolarHBondContact OD2-N 2.63Å |
| 640 | S | 71 | Confident | 80.6 | Confident | 9 Ų | 9 | 23.9 Ų | 23.9 | 6% | 0.063 | 13% | 0.129 | C | C | . | . | trans | -54.2 | 154.3 | 160.8 | 67.4 | 0 | 0 | 0 | 0 | 111.9 | Y678 | S640-Y678 PolarHBondContact OG-OH 2.9Š| ||
| 641 | C | 74.5 | Confident | 80.6 | Confident | 9 Ų | 9 | 23.9 Ų | 23.9 | 6% | 0.061 | 13% | 0.129 | C | C | . | . | trans | -148.7 | -162 | 179.7 | -152.2 | 0 | 0 | 0 | 0 | 113.4 | V451 T594 G643 D644 C669 | V451-C641 HydrophobicContact CG2-CB 4.08Å; T594-C641 WeakPolarHBondContact O-CB 3.38Å; T594-C641 PolarHBondContact OG1-SG 3.26Å; C641-G643 PolarHBondContact O-N 3.15Å; C641-D644 PolarHBondContact N-OD2 3.38Å; C641-D644 WeakPolarHBondContact O-CB 3.48Å; C641-D644 PolarHBondContact O-N 3.38Å; C641-C669 WeakPolarHBondContact CA-SG 3.4Å; C641-C669 HydrophobicContact CB-CB 3.86Å; C641-C669 WeakPolarHBondContact CB-SG 3.49Å; C641-C669 WeakPolarHBondContact SG-CB 3.4Å; C641-C669 CovalentContact SG-SG 2.04Å; C641-C669 PolarHBondContact SG-SG 3.21Å | ||
| 642 | Q | 68.6 | Low | 80.6 | Confident | 19 Ų | 19 | 26.3 Ų | 26.3 | 9% | 0.089 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 117.2 | -165.7 | -64.5 | 90.7 | 42.8 | 0 | 0 | 112.2 | S165 G593 T594 E598 C669 | S165-Q642 WeakPolarHBondContact OG-CG 3.01Å; G593-Q642 CarbonylContact C-O 3.59Å; G593-Q642 WeakPolarHBondContact CA-O 3.48Å; T594-Q642 HydrophobicContact CG2-CB 3.72Å; T594-Q642 PolarHBondContact N-O 3.15Å; T594-Q642 VanDerWaalsContact OG1-CB 3.28Å; T594-Q642 WeakPolarHBondContact OG1-CB 3.5Å; T594-Q642 PolarHBondContact OG1-N 3.37Å; T594-Q642 PolarHBondContact OG1-OE1 3.25Å; E598-Q642 VanDerWaalsContact N-OE1 3.15Å; Q642-C669 PolarHBondContact NE2-SG 2.78Å |
| 643 | G | 71.4 | Confident | 80.7 | Confident | 15 Ų | 15 | 27.7 Ų | 27.7 | 16% | 0.155 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.8 | -4.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | C641 S645 | C641-G643 PolarHBondContact O-N 3.15Å; G643-S645 VanDerWaalsContact C-N 3.35Å |
| 644 | D | 85.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -83.9 | -12.8 | 165.1 | -58.3 | -47.5 | 0 | 0 | 0 | 112.2 | G591 W592 G593 C641 G646 G647 V663 | G591-D644 VanDerWaalsContact CA-OD1 3.3Å; G591-D644 WeakPolarHBondContact CA-OD1 3.26Å; W592-D644 PolarHBondContact N-OD1 2.96Å; G593-D644 VanDerWaalsContact CA-OD1 3.27Å; G593-D644 WeakPolarHBondContact CA-OD1 2.81Å; G593-D644 PolarHBondContact N-OD1 3Å; C641-D644 PolarHBondContact N-OD2 3.38Å; C641-D644 WeakPolarHBondContact O-CB 3.48Å; C641-D644 PolarHBondContact O-N 3.38Å; D644-G646 PolarHBondContact O-N 3.47Å; D644-G647 VanDerWaalsContact O-CA 3.3Å; D644-G647 WeakPolarHBondContact O-CA 3.48Å; D644-G647 PolarHBondContact O-N 3.1Å; D644-V663 WeakPolarHBondContact O-CB 3.45Å | ||
| 645 | S | 89 | Confident | 81.1 | Confident | 25 Ų | 25 | 32.3 Ų | 32.3 | 18% | 0.175 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -38 | 131.8 | 170.5 | -73.5 | 0 | 0 | 0 | 0 | 112.9 | C479 G480 H501 G643 G647 | C479-S645 CarbonylContact C-O 3.44Å; C479-S645 WeakPolarHBondContact CA-O 3.46Å; C479-S645 WeakPolarHBondContact CB-O 3.43Å; C479-S645 PolarHBondContact SG-O 3.37Å; G480-S645 PolarHBondContact N-O 3.47Å; H501-S645 PolarHBondContact CE1-OG 2.89Å; H501-S645 WeakPolarHBondContact NE2-CB 3.47Å; H501-S645 PolarHBondContact NE2-OG 2.84Å; G643-S645 VanDerWaalsContact C-N 3.35Å; S645-G647 PolarHBondContact O-N 2.67Å |
| 646 | G | 93.9 | Very high | 81.7 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | -10.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | G480 G481 A499 D644 V663 | G480-G646 CarbonylContact O-C 3.58Å; G481-G646 WeakPolarHBondContact CA-O 2.9Å; A499-G646 VanDerWaalsContact N-CA 3.32Å; D644-G646 PolarHBondContact O-N 3.47Å; G646-V663 PolarHBondContact N-O 3.48Å |
| 647 | G | 94.4 | Very high | 82.8 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -64.8 | 157.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D644 S645 V662 V663 | D644-G647 VanDerWaalsContact O-CA 3.3Å; D644-G647 WeakPolarHBondContact O-CA 3.48Å; D644-G647 PolarHBondContact O-N 3.1Å; S645-G647 PolarHBondContact O-N 2.67Å; G647-V662 WeakPolarHBondContact O-CA 3.47Å; G647-V663 WeakPolarHBondContact O-CG2 3.46Å; G647-V663 PolarHBondContact O-N 3.42Å | ||
| 648 | P | 96.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 143.1 | -176.4 | 34.5 | -35.8 | 0 | 0 | 0 | 112 | Q464 V589 V650 Q659 | Q464-P648 VanDerWaalsContact OE1-CD 3.3Å; V589-P648 WeakPolarHBondContact CA-O 3.35Å; P648-V650 HydrophobicContact CB-CG1 3.87Å; P648-V650 HydrophobicContact CG-CG1 4.33Å; P648-Q659 HydrophobicContact CB-CG 3.98Å |
| 649 | L | 96.5 | Very high | 85.9 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 113.4 | 153.9 | -175.9 | 152.1 | 0 | 0 | 0 | 107.8 | C587 F588 V589 A610 I612 F629 A631 Q659 Y660 G661 Y678 | C587-L649 HydrophobicContact CB-CD2 3.97Å; F588-L649 CarbonylContact O-C 3.58Å; F588-L649 WeakPolarHBondContact O-CA 3.49Å; V589-L649 HydrophobicContact CG2-CB 3.91Å; V589-L649 HydrophobicContact CG2-CD1 3.83Å; V589-L649 HydrophobicContact CG2-CG 3.93Å; A610-L649 HydrophobicContact CB-CD1 4.24Å; I612-L649 HydrophobicContact CG1-CD2 4.5Å; F629-L649 HydrophobicContact CE2-CD1 4.2Å; F629-L649 HydrophobicContact CE2-CD2 4.36Å; F629-L649 HydrophobicContact CZ-CD1 4.49Å; F629-L649 HydrophobicContact CZ-CD2 4.24Å; A631-L649 HydrophobicContact CB-CD1 3.45Å; A631-L649 VanDerWaalsContact CB-CD1 3.45Å; L649-Q659 WeakPolarHBondContact O-CA 3.46Å; L649-Y660 PolarHBondContact O-N 3.15Å; L649-Y660 VanDerWaalsContact O-N 3.08Å; L649-G661 PolarHBondContact N-O 2.84Å; L649-G661 PolarHBondContact O-N 3.45Å; L649-Y678 HydrophobicContact CB-CD1 3.76Å; L649-Y678 HydrophobicContact CB-CE1 3.96Å; L649-Y678 HydrophobicContact CD1-CD1 3.77Å; L649-Y678 HydrophobicContact CD1-CD2 4.1Å; L649-Y678 HydrophobicContact CD1-CE1 3.65Å; L649-Y678 HydrophobicContact CD1-CE2 4.03Å; L649-Y678 HydrophobicContact CD1-CG 4.02Å; L649-Y678 HydrophobicContact CG-CD1 4.42Å; L649-Y678 HydrophobicContact CG-CE1 4.42Å |
| 650 | V | 95.9 | Very high | 87.4 | Confident | 6 Ų | 6 | 28.7 Ų | 28.7 | 4% | 0.036 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 134.3 | -177.9 | -54.4 | 0 | 0 | 0 | 0 | 110.7 | W463 V572 C587 F588 P648 Y657 Y658 Q659 | W463-V650 HydrophobicContact CZ2-CG2 4.32Å; V572-V650 HydrophobicContact CG2-CG1 3.78Å; C587-V650 CarbonylContact C-O 3.52Å; C587-V650 VanDerWaalsContact CA-O 3.23Å; C587-V650 WeakPolarHBondContact CA-O 3.37Å; F588-V650 HydrophobicContact CB-CG2 4.37Å; F588-V650 PolarHBondContact N-O 3.05Å; F588-V650 PolarHBondContact O-N 2.88Å; P648-V650 HydrophobicContact CB-CG1 3.87Å; P648-V650 HydrophobicContact CG-CG1 4.33Å; V650-Y657 HydrophobicContact CG2-CD1 4.19Å; V650-Y658 CarbonylContact C-O 3.59Å; V650-Y658 VanDerWaalsContact CA-O 3.28Å; V650-Y658 WeakPolarHBondContact CA-O 3.47Å; V650-Q659 HydrophobicContact CG1-CB 4.37Å |
| 651 | C | 94.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 140.8 | 176.6 | -58.1 | 0 | 0 | 0 | 0 | 110.8 | P582 A585 Y586 C587 V653 Y657 Y658 Y660 | P582-C651 HydrophobicContact CG-CB 3.91Å; A585-C651 HydrophobicContact CB-CB 4.1Å; Y586-C651 WeakPolarHBondContact O-CA 3.23Å; C587-C651 HydrophobicContact CB-CB 4.09Å; C587-C651 WeakPolarHBondContact CB-SG 3.14Å; C587-C651 WeakPolarHBondContact SG-CB 3.31Å; C587-C651 CovalentContact SG-SG 2.04Å; C587-C651 PolarHBondContact SG-SG 3.09Å; C651-V653 PolarHBondContact O-N 2.62Å; C651-Y657 WeakPolarHBondContact O-CA 2.98Å; C651-Y658 PolarHBondContact N-O 3.43Å; C651-Y658 PolarHBondContact O-N 3.11Å; C651-Y660 HydrophobicContact CB-CD2 3.69Å; C651-Y660 HydrophobicContact CB-CE2 3.89Å |
| 652 | E | 89.7 | Confident | 89.6 | Confident | 52 Ų | 52 | 27.9 Ų | 27.9 | 24% | 0.243 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 113.2 | 173.6 | -161.2 | 176.1 | 145.7 | 0 | 0 | 110.6 | Y586 R656 Y657 | Y586-E652 PolarHBondContact O-N 2.76Å; E652-R656 WeakPolarHBondContact CA-O 3.31Å; E652-Y657 HydrophobicContact CB-CD1 4.06Å; E652-Y657 HydrophobicContact CB-CE1 3.61Å; E652-Y657 HydrophobicContact CG-CD1 4.4Å; E652-Y657 HydrophobicContact CG-CE1 3.87Å; E652-Y657 PolarHBondContact OE2-OH 3.33Å |
| 653 | V | 87.1 | Confident | 90.9 | Very high | 31 Ų | 31 | 27.2 Ų | 27.2 | 19% | 0.188 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 119.9 | 177.1 | -177.5 | 0 | 0 | 0 | 0 | 107.9 | P582 C651 G655 R656 Y658 Y660 | P582-V653 HydrophobicContact CB-CG2 4.31Å; P582-V653 HydrophobicContact CG-CG2 4.17Å; C651-V653 PolarHBondContact O-N 2.62Å; V653-G655 PolarHBondContact O-N 2.9Å; V653-R656 PolarHBondContact N-O 3.38Å; V653-R656 PolarHBondContact O-N 2.89Å; V653-R656 VanDerWaalsContact O-O 3.14Å; V653-Y658 HydrophobicContact CB-CD2 3.92Å; V653-Y658 HydrophobicContact CB-CE2 4.29Å; V653-Y660 HydrophobicContact CG2-CE2 3.98Å |
| 654 | N | 83.6 | Confident | 91.9 | Very high | 163 Ų | 163 | 26.9 Ų | 26.9 | 87% | 0.872 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 40 | -179 | -57.5 | -32.2 | 0 | 0 | 0 | 113.8 | R656 | N654-R656 VanDerWaalsContact C-N 3.31Å; N654-R656 PolarHBondContact O-N 3.49Å |
| 655 | G | 75.8 | Confident | 92 | Very high | 34 Ų | 34 | 29.4 Ų | 29.4 | 35% | 0.351 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | 9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y440 V653 | Y440-G655 PolarHBondContact OH-O 3.06Å; V653-G655 PolarHBondContact O-N 2.9Å |
| 656 | R | 84.2 | Confident | 91.5 | Very high | 129 Ų | 129 | 30 Ų | 30 | 49% | 0.487 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 149.3 | 174.6 | -70.4 | 179.6 | 177.6 | 144.5 | 0.3 | 110.7 | E652 V653 N654 Y658 | E652-R656 WeakPolarHBondContact CA-O 3.31Å; V653-R656 PolarHBondContact N-O 3.38Å; V653-R656 PolarHBondContact O-N 2.89Å; V653-R656 VanDerWaalsContact O-O 3.14Å; N654-R656 VanDerWaalsContact C-N 3.31Å; N654-R656 PolarHBondContact O-N 3.49Å; R656-Y658 HydrophobicContact CB-CD2 4.21Å; R656-Y658 HydrophobicContact CB-CE2 3.68Å |
| 657 | Y | 91.7 | Very high | 90.6 | Very high | 56 Ų | 56 | 31.5 Ų | 31.5 | 22% | 0.22 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 117.5 | 177.8 | -67.2 | -73.2 | 0 | 0 | 0 | 110.8 | Y440 W463 V572 C573 F588 V650 C651 E652 | Y440-Y657 HydrophobicContact CE1-CE2 4.02Å; Y440-Y657 WeakPolarHBondContact CE1-OH 3.02Å; W463-Y657 AromaticContact CH2-CD2 3.91Å; W463-Y657 HydrophobicContact CH2-CD2 3.91Å; W463-Y657 HydrophobicContact CH2-CG 4.08Å; W463-Y657 HydrophobicContact CZ2-CG 4.39Å; V572-Y657 WeakPolarHBondContact CG2-O 3Å; C573-Y657 WeakPolarHBondContact CB-O 3.32Å; C573-Y657 PolarHBondContact N-O 2.85Å; F588-Y657 HydrophobicContact CD2-CE1 4.25Å; F588-Y657 HydrophobicContact CE2-CE1 4.19Å; V650-Y657 HydrophobicContact CG2-CD1 4.19Å; C651-Y657 WeakPolarHBondContact O-CA 2.98Å; E652-Y657 HydrophobicContact CB-CD1 4.06Å; E652-Y657 HydrophobicContact CB-CE1 3.61Å; E652-Y657 HydrophobicContact CG-CD1 4.4Å; E652-Y657 HydrophobicContact CG-CE1 3.87Å; E652-Y657 PolarHBondContact OE2-OH 3.33Å |
| 658 | Y | 96 | Very high | 89.2 | Confident | 54 Ų | 54 | 32.4 Ų | 32.4 | 21% | 0.212 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 134.3 | 178.9 | -73.6 | -96.2 | 0 | 0 | 0 | 110.5 | C573 L574 V650 C651 V653 R656 Y660 | C573-Y658 HydrophobicContact CB-CD1 3.47Å; C573-Y658 VanDerWaalsContact CB-CD1 3.47Å; C573-Y658 HydrophobicContact CB-CD2 4.31Å; C573-Y658 HydrophobicContact CB-CE1 3.57Å; C573-Y658 HydrophobicContact CB-CE2 4.4Å; C573-Y658 HydrophobicContact CB-CG 3.86Å; C573-Y658 CarbonylContact O-C 3.49Å; C573-Y658 WeakPolarHBondContact O-CA 2.94Å; L574-Y658 WeakPolarHBondContact O-CD1 3.41Å; L574-Y658 WeakPolarHBondContact O-CE1 3.31Å; V650-Y658 CarbonylContact C-O 3.59Å; V650-Y658 VanDerWaalsContact CA-O 3.28Å; V650-Y658 WeakPolarHBondContact CA-O 3.47Å; C651-Y658 PolarHBondContact N-O 3.43Å; C651-Y658 PolarHBondContact O-N 3.11Å; V653-Y658 HydrophobicContact CB-CD2 3.92Å; V653-Y658 HydrophobicContact CB-CE2 4.29Å; R656-Y658 HydrophobicContact CB-CD2 4.21Å; R656-Y658 HydrophobicContact CB-CE2 3.68Å; Y658-Y660 WeakPolarHBondContact O-CD2 3.13Å; Y658-Y660 PolarHBondContact O-N 3.16Å |
| 659 | Q | 97 | Very high | 88 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 104.6 | 179.1 | -174 | 179.2 | 1.4 | 0 | 0 | 111.3 | S482 V572 C573 P575 P648 L649 V650 G661 V681 | S482-Q659 PolarHBondContact OG-NE2 3.46Å; S482-Q659 PolarHBondContact OG-OE1 2.88Å; V572-Q659 HydrophobicContact CG1-CB 3.83Å; V572-Q659 VanDerWaalsContact CG1-OE1 3.28Å; V572-Q659 HydrophobicContact CG2-CB 4.07Å; C573-Q659 PolarHBondContact O-N 2.91Å; P575-Q659 WeakPolarHBondContact CD-O 3.13Å; P648-Q659 HydrophobicContact CB-CG 3.98Å; L649-Q659 WeakPolarHBondContact O-CA 3.46Å; V650-Q659 HydrophobicContact CG1-CB 4.37Å; Q659-G661 WeakPolarHBondContact CG-O 3.43Å; Q659-G661 PolarHBondContact NE2-O 3.38Å; Q659-V681 HydrophobicContact CG-CG2 4.38Å; Q659-V681 WeakPolarHBondContact O-CG1 3.27Å |
| 660 | Y | 97.2 | Very high | 86.4 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -21.2 | 176 | -70.3 | -88.4 | 0 | 0 | 0 | 113.1 | P575 E579 L581 P582 F629 L649 C651 V653 Y658 V681 P682 | P575-Y660 HydrophobicContact CB-CD1 4.15Å; P575-Y660 HydrophobicContact CB-CE1 3.67Å; P575-Y660 HydrophobicContact CG-CD1 4.06Å; P575-Y660 HydrophobicContact CG-CE1 4.11Å; E579-Y660 HydrophobicContact CG-CE1 4.49Å; E579-Y660 PolarHBondContact OE1-OH 3.37Å; L581-Y660 HydrophobicContact CD2-CD1 3.94Å; L581-Y660 HydrophobicContact CD2-CG 4.33Å; P582-Y660 HydrophobicContact CG-CD1 4.5Å; P582-Y660 HydrophobicContact CG-CD2 3.92Å; P582-Y660 HydrophobicContact CG-CE1 4.21Å; P582-Y660 HydrophobicContact CG-CE2 3.57Å; P582-Y660 HydrophobicContact CG-CG 4.36Å; F629-Y660 WeakPolarHBondContact CE1-O 3.19Å; L649-Y660 PolarHBondContact O-N 3.15Å; L649-Y660 VanDerWaalsContact O-N 3.08Å; C651-Y660 HydrophobicContact CB-CD2 3.69Å; C651-Y660 HydrophobicContact CB-CE2 3.89Å; V653-Y660 HydrophobicContact CG2-CE2 3.98Å; Y658-Y660 WeakPolarHBondContact O-CD2 3.13Å; Y658-Y660 PolarHBondContact O-N 3.16Å; Y660-V681 WeakPolarHBondContact O-CB 3.48Å; Y660-V681 PolarHBondContact O-N 2.89Å; Y660-P682 HydrophobicContact CD1-CG 3.85Å; Y660-P682 HydrophobicContact CE1-CG 4.45Å |
| 661 | G | 96.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 157 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L649 Q659 A679 | L649-G661 PolarHBondContact N-O 2.84Å; L649-G661 PolarHBondContact O-N 3.45Å; Q659-G661 WeakPolarHBondContact CG-O 3.43Å; Q659-G661 PolarHBondContact NE2-O 3.38Å; G661-A679 WeakPolarHBondContact CA-O 3.49Å |
| 662 | V | 97.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 127.9 | 164.6 | 173.7 | 0 | 0 | 0 | 0 | 107.3 | L497 A499 G647 S664 Y678 A679 V681 | L497-V662 HydrophobicContact CD2-CG2 4.09Å; L497-V662 HydrophobicContact CG-CG2 4.08Å; A499-V662 HydrophobicContact CB-CG1 3.96Å; G647-V662 WeakPolarHBondContact O-CA 3.47Å; V662-S664 PolarHBondContact O-N 3.27Å; V662-Y678 CarbonylContact O-C 3.56Å; V662-Y678 WeakPolarHBondContact O-CA 3.46Å; V662-A679 HydrophobicContact CB-CB 4.38Å; V662-A679 PolarHBondContact N-O 2.97Å; V662-A679 PolarHBondContact O-N 2.84Å; V662-V681 HydrophobicContact CG2-CG2 3.85Å |
| 663 | V | 95.1 | Very high | 83.8 | Confident | 6 Ų | 6 | 42.7 Ų | 42.7 | 4% | 0.036 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 118.5 | 179.2 | 178.1 | 0 | 0 | 0 | 0 | 109.5 | V589 D644 G646 G647 Y678 | V589-V663 HydrophobicContact CG1-CG2 3.6Å; D644-V663 WeakPolarHBondContact O-CB 3.45Å; G646-V663 PolarHBondContact N-O 3.48Å; G647-V663 WeakPolarHBondContact O-CG2 3.46Å; G647-V663 PolarHBondContact O-N 3.42Å; V663-Y678 HydrophobicContact CB-CE1 4.38Å; V663-Y678 HydrophobicContact CG2-CD1 4.1Å; V663-Y678 HydrophobicContact CG2-CE1 3.65Å |
| 664 | S | 92 | Very high | 83.5 | Confident | 7 Ų | 7 | 46.5 Ų | 46.5 | 5% | 0.049 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | -68.6 | -172.7 | -180 | 0 | 0 | 0 | 0 | 112.4 | H501 D553 V662 V677 | H501-S664 PolarHBondContact CE1-O 3.47Å; D553-S664 VanDerWaalsContact CB-OG 3.3Å; D553-S664 WeakPolarHBondContact CB-OG 3.18Å; D553-S664 WeakPolarHBondContact OD2-CA 3.34Å; D553-S664 WeakPolarHBondContact OD2-CB 3.4Å; D553-S664 PolarHBondContact OD2-OG 2.66Å; V662-S664 PolarHBondContact O-N 3.27Å; S664-V677 WeakPolarHBondContact CB-O 3.41Å; S664-V677 PolarHBondContact N-O 2.84Å |
| 665 | F | 87.7 | Confident | 83.5 | Confident | 53 Ų | 53 | 38.8 Ų | 38.8 | 23% | 0.232 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 174 | -178.5 | 64.8 | -96.1 | 0 | 0 | 0 | 113.2 | K550 V620 V628 V677 | K550-F665 HydrophobicContact CB-CD1 3.63Å; K550-F665 HydrophobicContact CB-CE1 3.51Å; K550-F665 HydrophobicContact CB-CG 4.48Å; K550-F665 HydrophobicContact CB-CZ 4.27Å; K550-F665 HydrophobicContact CG-CD1 4.03Å; K550-F665 HydrophobicContact CG-CE1 4.25Å; K550-F665 HydrophobicContact CG-CG 4.43Å; V620-F665 HydrophobicContact CG1-CE2 4.15Å; V620-F665 HydrophobicContact CG1-CZ 4.14Å; V628-F665 HydrophobicContact CG1-CE1 4.36Å; F665-V677 HydrophobicContact CD1-CB 4.4Å; F665-V677 HydrophobicContact CD1-CG1 4.3Å; F665-V677 HydrophobicContact CD2-CB 3.92Å; F665-V677 HydrophobicContact CD2-CG1 4.37Å; F665-V677 HydrophobicContact CD2-CG2 4.03Å; F665-V677 HydrophobicContact CE1-CB 4.29Å; F665-V677 HydrophobicContact CE1-CG1 3.78Å; F665-V677 HydrophobicContact CE2-CB 3.81Å; F665-V677 HydrophobicContact CE2-CG1 3.87Å; F665-V677 HydrophobicContact CE2-CG2 3.74Å; F665-V677 HydrophobicContact CG-CB 4.22Å; F665-V677 HydrophobicContact CZ-CB 4.02Å; F665-V677 HydrophobicContact CZ-CG1 3.55Å; F665-V677 HydrophobicContact CZ-CG2 4.28Å; F665-V677 PolarHBondContact N-O 3.09Å; F665-V677 VanDerWaalsContact N-O 3.17Å; F665-V677 WeakPolarHBondContact O-CA 3.49Å; F665-V677 WeakPolarHBondContact O-CB 3.48Å; F665-V677 PolarHBondContact O-N 3.02Å |
| 666 | G | 79.9 | Confident | 84 | Confident | 38 Ų | 38 | 37.2 Ų | 37.2 | 39% | 0.392 | 20% | 0.197 | S | C | . | . | trans | -169.2 | 157.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | G668 | G666-G668 PolarHBondContact O-N 3.45Š| ||
| 667 | A | 73.8 | Confident | 84.4 | Confident | 31 Ų | 31 | 31 Ų | 31 | 26% | 0.256 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -93.2 | 63.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y619 R671 Y674 | Y619-A667 HydrophobicContact CE2-CB 4.16Å; Y619-A667 PolarHBondContact OH-N 3.48Å; A667-R671 VanDerWaalsContact O-CD 3.31Å; A667-R671 WeakPolarHBondContact O-CD 3.46Å; A667-R671 PolarHBondContact O-NH1 3.19Å; A667-Y674 HydrophobicContact CB-CD1 3.57Å; A667-Y674 HydrophobicContact CB-CE1 4.24Å; A667-Y674 HydrophobicContact CB-CG 3.94Å |
| 668 | G | 66.1 | Low | 84.6 | Confident | 19 Ų | 19 | 28.4 Ų | 28.4 | 20% | 0.196 | 16% | 0.164 | C | C | . | . | S | Bend | trans | 97.3 | -161.1 | -164 | 0 | 0 | 0 | 0 | 0 | 110.4 | E597 G666 | E597-G668 WeakPolarHBondContact OE1-CA 3.45Å; G666-G668 PolarHBondContact O-N 3.45Å |
| 669 | C | 69.9 | Low | 84.6 | Confident | 11 Ų | 11 | 25.9 Ų | 25.9 | 7% | 0.074 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -125.4 | 126.7 | 170.7 | -56.2 | 0 | 0 | 0 | 0 | 110.2 | V451 E597 C641 Q642 R671 | V451-C669 HydrophobicContact CG2-CB 3.76Å; E597-C669 HydrophobicContact CB-CB 4.32Å; E597-C669 HydrophobicContact CG-CB 4.41Å; E597-C669 PolarHBondContact OE2-N 3.46Å; C641-C669 WeakPolarHBondContact CA-SG 3.4Å; C641-C669 HydrophobicContact CB-CB 3.86Å; C641-C669 WeakPolarHBondContact CB-SG 3.49Å; C641-C669 WeakPolarHBondContact SG-CB 3.4Å; C641-C669 CovalentContact SG-SG 2.04Å; C641-C669 PolarHBondContact SG-SG 3.21Å; Q642-C669 PolarHBondContact NE2-SG 2.78Å; C669-R671 PolarHBondContact O-N 2.77Å |
| 670 | A | 62.9 | Low | 84.5 | Confident | 12 Ų | 12 | 27.5 Ų | 27.5 | 10% | 0.099 | 16% | 0.16 | C | C | . | . | S | Bend | trans | 55.7 | 32.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | V451 G636 G637 D639 | V451-A670 HydrophobicContact CB-CB 3.78Å; V451-A670 HydrophobicContact CG1-CB 3.47Å; V451-A670 VanDerWaalsContact CG1-CB 3.47Å; V451-A670 HydrophobicContact CG2-CB 4.43Å; G636-A670 CarbonylContact C-O 3.56Å; G636-A670 WeakPolarHBondContact CA-O 3.38Å; G637-A670 PolarHBondContact N-O 3.44Å; D639-A670 VanDerWaalsContact CB-CA 3.47Å; D639-A670 HydrophobicContact CB-CB 3.5Å; D639-A670 PolarHBondContact OD2-N 2.03Å |
| 671 | R | 72.7 | Confident | 84.5 | Confident | 104 Ų | 104 | 27.5 Ų | 27.5 | 39% | 0.392 | 16% | 0.16 | S | C | . | . | B | Isolated β-bridge | trans | -77.9 | 148.4 | 174.7 | -60.9 | -172.9 | -174.4 | 169.5 | -12.2 | 109.8 | E597 A667 C669 G673 Y674 | E597-R671 IonicContact OE1-CZ 3.54Å; E597-R671 IonicContact OE1-NE 2.75Å; E597-R671 IonicContact OE1-NH2 3.27Å; E597-R671 PolarHBondContact OE1-NH2 3Å; E597-R671 IonicContact OE2-CZ 2.89Å; E597-R671 IonicContact OE2-NE 2.62Å; E597-R671 PolarHBondContact OE2-NE 3.29Å; E597-R671 IonicContact OE2-NH2 3.92Å; E597-R671 PolarHBondContact OE2-NH2 2.8Å; A667-R671 VanDerWaalsContact O-CD 3.31Å; A667-R671 WeakPolarHBondContact O-CD 3.46Å; A667-R671 PolarHBondContact O-NH1 3.19Å; C669-R671 PolarHBondContact O-N 2.77Å; R671-G673 PolarHBondContact O-N 2.87Å; R671-Y674 HydrophobicContact CB-CD2 4.31Å; R671-Y674 PolarHBondContact O-N 3.33Å; R671-Y674 VanDerWaalsContact O-N 3.09Å |
| 672 | V | 74.2 | Confident | 84.5 | Confident | 111 Ų | 111 | 27.5 Ų | 27.5 | 67% | 0.673 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 128.3 | 175 | -170.6 | 0 | 0 | 0 | 0 | 108.9 | Y674 | V672-Y674 VanDerWaalsContact C-N 3.28Å; V672-Y674 WeakPolarHBondContact O-CD2 3.07Å; V672-Y674 PolarHBondContact O-N 2.85Å |
| 673 | G | 78.3 | Confident | 84.4 | Confident | 36 Ų | 36 | 30.1 Ų | 30.1 | 37% | 0.371 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | -4.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | L634 R671 | L634-G673 PolarHBondContact O-N 2.83Å; R671-G673 PolarHBondContact O-N 2.87Å |
| 674 | Y | 81.3 | Confident | 84.4 | Confident | 111 Ų | 111 | 30 Ų | 30 | 44% | 0.435 | 18% | 0.175 | S | C | . | . | B | Isolated β-bridge | trans | -129.3 | 78.3 | -178 | -60.7 | -80.4 | 0 | 0 | 0 | 111.1 | Y619 A667 R671 V672 | Y619-Y674 HydrophobicContact CD1-CD1 4.18Å; Y619-Y674 AromaticContact CD2-CD1 3.94Å; Y619-Y674 HydrophobicContact CD2-CD1 3.94Å; Y619-Y674 HydrophobicContact CD2-CE1 4.22Å; Y619-Y674 HydrophobicContact CE1-CD1 4.38Å; Y619-Y674 HydrophobicContact CE2-CD1 4.16Å; Y619-Y674 AromaticContact CG-CD1 3.96Å; Y619-Y674 HydrophobicContact CG-CD1 3.96Å; Y619-Y674 HydrophobicContact CG-CE1 4.44Å; A667-Y674 HydrophobicContact CB-CD1 3.57Å; A667-Y674 HydrophobicContact CB-CE1 4.24Å; A667-Y674 HydrophobicContact CB-CG 3.94Å; R671-Y674 HydrophobicContact CB-CD2 4.31Å; R671-Y674 PolarHBondContact O-N 3.33Å; R671-Y674 VanDerWaalsContact O-N 3.09Å; V672-Y674 VanDerWaalsContact C-N 3.28Å; V672-Y674 WeakPolarHBondContact O-CD2 3.07Å; V672-Y674 PolarHBondContact O-N 2.85Å |
| 675 | P | 84.4 | Confident | 84.5 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | trans | -67.8 | 165.5 | 170.8 | 31.9 | -38.8 | 0 | 0 | 0 | 112.1 | I613 Y619 C630 L634 | I613-P675 HydrophobicContact CD1-CB 3.48Å; I613-P675 VanDerWaalsContact CD1-CB 3.48Å; I613-P675 HydrophobicContact CD1-CG 3.6Å; Y619-P675 HydrophobicContact CD1-CG 4.47Å; Y619-P675 WeakPolarHBondContact CE1-O 3.48Å; C630-P675 HydrophobicContact CB-CB 4.41Å; C630-P675 HydrophobicContact CB-CG 3.73Å; L634-P675 HydrophobicContact CD2-CG 4.35Å | ||
| 676 | G | 86.6 | Confident | 84.8 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 151.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | C630 A631 D639 Y678 | C630-G676 WeakPolarHBondContact CA-O 3.3Å; A631-G676 PolarHBondContact N-O 3.01Å; A631-G676 PolarHBondContact O-N 3.48Å; D639-G676 VanDerWaalsContact OD1-CA 3.23Å; D639-G676 WeakPolarHBondContact OD1-CA 3.38Å; D639-G676 PolarHBondContact OD1-N 3.38Å; D639-G676 VanDerWaalsContact OD1-N 3.14Å; D639-G676 PolarHBondContact OD2-N 2.63Å; G676-Y678 VanDerWaalsContact C-CE2 3.43Å; G676-Y678 VanDerWaalsContact O-CE2 3.24Å; G676-Y678 WeakPolarHBondContact O-CE2 3.26Å |
| 677 | V | 92.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 133.7 | 179.9 | -175.7 | 0 | 0 | 0 | 0 | 110.2 | Y619 V620 V628 F629 S664 F665 | Y619-V677 HydrophobicContact CE1-CG2 3.75Å; V620-V677 HydrophobicContact CG1-CG1 3.97Å; V620-V677 HydrophobicContact CG1-CG2 3.69Å; V628-V677 HydrophobicContact CB-CG1 3.63Å; V628-V677 HydrophobicContact CG1-CG1 4.25Å; V628-V677 HydrophobicContact CG2-CG1 3.51Å; F629-V677 WeakPolarHBondContact O-CA 3.09Å; S664-V677 WeakPolarHBondContact CB-O 3.41Å; S664-V677 PolarHBondContact N-O 2.84Å; F665-V677 HydrophobicContact CD1-CB 4.4Å; F665-V677 HydrophobicContact CD1-CG1 4.3Å; F665-V677 HydrophobicContact CD2-CB 3.92Å; F665-V677 HydrophobicContact CD2-CG1 4.37Å; F665-V677 HydrophobicContact CD2-CG2 4.03Å; F665-V677 HydrophobicContact CE1-CB 4.29Å; F665-V677 HydrophobicContact CE1-CG1 3.78Å; F665-V677 HydrophobicContact CE2-CB 3.81Å; F665-V677 HydrophobicContact CE2-CG1 3.87Å; F665-V677 HydrophobicContact CE2-CG2 3.74Å; F665-V677 HydrophobicContact CG-CB 4.22Å; F665-V677 HydrophobicContact CZ-CB 4.02Å; F665-V677 HydrophobicContact CZ-CG1 3.55Å; F665-V677 HydrophobicContact CZ-CG2 4.28Å; F665-V677 PolarHBondContact N-O 3.09Å; F665-V677 VanDerWaalsContact N-O 3.17Å; F665-V677 WeakPolarHBondContact O-CA 3.49Å; F665-V677 WeakPolarHBondContact O-CB 3.48Å; F665-V677 PolarHBondContact O-N 3.02Å |
| 678 | Y | 95.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 136.5 | -170 | -57.4 | -99.9 | 0 | 0 | 0 | 110.3 | V589 V628 F629 A631 S640 L649 V662 V663 G676 R680 | V589-Y678 HydrophobicContact CG2-CE1 3.53Å; V628-Y678 CarbonylContact C-O 3.51Å; V628-Y678 WeakPolarHBondContact CA-O 3.33Å; V628-Y678 WeakPolarHBondContact CB-O 3.46Å; F629-Y678 HydrophobicContact CE2-CD2 4.34Å; F629-Y678 HydrophobicContact CE2-CG 4.34Å; F629-Y678 HydrophobicContact CZ-CG 4.31Å; F629-Y678 PolarHBondContact N-O 2.7Å; F629-Y678 PolarHBondContact O-N 3.19Å; A631-Y678 HydrophobicContact CB-CD2 3.86Å; A631-Y678 HydrophobicContact CB-CE2 3.59Å; S640-Y678 PolarHBondContact OG-OH 2.9Å; L649-Y678 HydrophobicContact CB-CD1 3.76Å; L649-Y678 HydrophobicContact CB-CE1 3.96Å; L649-Y678 HydrophobicContact CD1-CD1 3.77Å; L649-Y678 HydrophobicContact CD1-CD2 4.1Å; L649-Y678 HydrophobicContact CD1-CE1 3.65Å; L649-Y678 HydrophobicContact CD1-CE2 4.03Å; L649-Y678 HydrophobicContact CD1-CG 4.02Å; L649-Y678 HydrophobicContact CG-CD1 4.42Å; L649-Y678 HydrophobicContact CG-CE1 4.42Å; V662-Y678 CarbonylContact O-C 3.56Å; V662-Y678 WeakPolarHBondContact O-CA 3.46Å; V663-Y678 HydrophobicContact CB-CE1 4.38Å; V663-Y678 HydrophobicContact CG2-CD1 4.1Å; V663-Y678 HydrophobicContact CG2-CE1 3.65Å; G676-Y678 VanDerWaalsContact C-CE2 3.43Å; G676-Y678 VanDerWaalsContact O-CE2 3.24Å; G676-Y678 WeakPolarHBondContact O-CE2 3.26Å; Y678-R680 PolarHBondContact O-N 2.92Å |
| 679 | A | 95.9 | Very high | 87.8 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 131 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | G661 V662 V681 | G661-A679 WeakPolarHBondContact CA-O 3.49Å; V662-A679 HydrophobicContact CB-CB 4.38Å; V662-A679 PolarHBondContact N-O 2.97Å; V662-A679 PolarHBondContact O-N 2.84Å; A679-V681 PolarHBondContact O-N 3.1Å |
| 680 | R | 95.7 | Very high | 88.9 | Confident | 35 Ų | 35 | 34.4 Ų | 34.4 | 13% | 0.132 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 90.2 | -172.1 | -167.6 | 178 | -66 | -122.7 | 1.2 | 110.3 | L581 D615 Q625 M627 V628 F629 Y678 P682 T683 Y684 | L581-R680 HydrophobicContact CD2-CG 4.32Å; D615-R680 VanDerWaalsContact CG-NH2 3.29Å; D615-R680 IonicContact OD1-CZ 3.35Å; D615-R680 IonicContact OD1-NH2 3.58Å; D615-R680 PolarHBondContact OD1-NH2 2.97Å; D615-R680 IonicContact OD2-CZ 2.71Å; D615-R680 IonicContact OD2-NH1 3.57Å; D615-R680 IonicContact OD2-NH2 3.79Å; D615-R680 PolarHBondContact OD2-NH2 3.15Å; D615-R680 VanDerWaalsContact OD2-NH2 3.08Å; Q625-R680 VanDerWaalsContact O-CZ 3.23Å; Q625-R680 PolarHBondContact O-NE 2.86Å; Q625-R680 PolarHBondContact O-NH2 2.72Å; M627-R680 WeakPolarHBondContact O-CB 3.23Å; M627-R680 PolarHBondContact O-N 2.88Å; V628-R680 PolarHBondContact O-NE 2.88Å; V628-R680 PolarHBondContact O-NH2 3.27Å; F629-R680 HydrophobicContact CD1-CB 4.02Å; F629-R680 HydrophobicContact CD1-CG 4.16Å; F629-R680 HydrophobicContact CE1-CB 4.48Å; Y678-R680 PolarHBondContact O-N 2.92Å; R680-P682 VanDerWaalsContact C-CD 3.46Å; R680-P682 VanDerWaalsContact C-N 3.34Å; R680-T683 WeakPolarHBondContact CD-OG1 3.37Å; R680-T683 WeakPolarHBondContact O-CB 3.04Å; R680-T683 PolarHBondContact O-N 3.27Å; R680-T683 PolarHBondContact O-OG1 3.45Å; R680-Y684 VanDerWaalsContact O-CD2 3.3Å; R680-Y684 WeakPolarHBondContact O-CD2 3.45Å |
| 681 | V | 96.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -50.4 | -44.6 | -174.7 | 175.5 | 0 | 0 | 0 | 0 | 113 | L497 L574 Q659 Y660 V662 A679 T683 Y684 L685 | L497-V681 HydrophobicContact CD2-CG1 4.23Å; L497-V681 HydrophobicContact CD2-CG2 4.2Å; L574-V681 HydrophobicContact CD2-CG1 4.46Å; Q659-V681 HydrophobicContact CG-CG2 4.38Å; Q659-V681 WeakPolarHBondContact O-CG1 3.27Å; Y660-V681 WeakPolarHBondContact O-CB 3.48Å; Y660-V681 PolarHBondContact O-N 2.89Å; V662-V681 HydrophobicContact CG2-CG2 3.85Å; A679-V681 PolarHBondContact O-N 3.1Å; V681-T683 PolarHBondContact O-N 3.49Å; V681-T683 VanDerWaalsContact O-N 3.16Å; V681-Y684 PolarHBondContact O-N 3.03Å; V681-L685 HydrophobicContact CG1-CD2 3.94Å; V681-L685 HydrophobicContact CG1-CG 4.26Å; V681-L685 WeakPolarHBondContact O-CG 3.46Å; V681-L685 PolarHBondContact O-N 2.81Å |
| 682 | P | 95.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -52.1 | -36.9 | 177.5 | -27.9 | 33.6 | 0 | 0 | 0 | 115.5 | P575 N578 E579 L581 Y660 R680 Y684 | P575-P682 HydrophobicContact CB-CG 4.42Å; P575-P682 HydrophobicContact CG-CG 3.86Å; N578-P682 PolarHBondContact N-O 3.13Å; E579-P682 WeakPolarHBondContact O-CB 3.08Å; L581-P682 HydrophobicContact CD2-CG 4.43Å; Y660-P682 HydrophobicContact CD1-CG 3.85Å; Y660-P682 HydrophobicContact CE1-CG 4.45Å; R680-P682 VanDerWaalsContact C-CD 3.46Å; R680-P682 VanDerWaalsContact C-N 3.34Å; P682-Y684 VanDerWaalsContact C-N 3.27Å; P682-Y684 PolarHBondContact O-N 2.97Å |
| 683 | T | 95 | Very high | 92.1 | Very high | 54 Ų | 54 | 30.7 Ų | 30.7 | 33% | 0.331 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -63.4 | -32.8 | 177.4 | -52.5 | 0 | 0 | 0 | 0 | 112 | Q626 R680 V681 | Q626-T683 WeakPolarHBondContact O-CG2 3.39Å; Q626-T683 PolarHBondContact O-OG1 2.7Å; R680-T683 WeakPolarHBondContact CD-OG1 3.37Å; R680-T683 WeakPolarHBondContact O-CB 3.04Å; R680-T683 PolarHBondContact O-N 3.27Å; R680-T683 PolarHBondContact O-OG1 3.45Å; V681-T683 PolarHBondContact O-N 3.49Å; V681-T683 VanDerWaalsContact O-N 3.16Å |
| 684 | Y | 95.6 | Very high | 92.6 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 2% | 0.02 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -101.8 | 1.8 | -172.2 | -62.2 | -69.7 | 0 | 0 | 0 | 114.3 | H543 N552 I554 M627 R680 V681 P682 N686 W687 T688 | H543-Y684 HydrophobicContact CB-CD1 4.33Å; H543-Y684 HydrophobicContact CB-CE1 4.42Å; H543-Y684 AromaticContact CD2-CD1 3.9Å; H543-Y684 AromaticContact CD2-CE1 3.6Å; N552-Y684 WeakPolarHBondContact CA-OH 3.2Å; N552-Y684 HydrophobicContact CB-CE1 4.36Å; N552-Y684 WeakPolarHBondContact OD1-CE1 3.4Å; N552-Y684 PolarHBondContact OD1-OH 2.64Å; I554-Y684 HydrophobicContact CD1-CD2 3.89Å; I554-Y684 HydrophobicContact CD1-CG 3.98Å; I554-Y684 HydrophobicContact CG2-CD1 3.88Å; I554-Y684 HydrophobicContact CG2-CD2 4.01Å; I554-Y684 HydrophobicContact CG2-CE1 4.23Å; I554-Y684 HydrophobicContact CG2-CE2 4.34Å; I554-Y684 HydrophobicContact CG2-CG 3.76Å; M627-Y684 VanDerWaalsContact CB-OH 3.27Å; M627-Y684 WeakPolarHBondContact CB-OH 3.36Å; M627-Y684 WeakPolarHBondContact CG-OH 3.45Å; R680-Y684 VanDerWaalsContact O-CD2 3.3Å; R680-Y684 WeakPolarHBondContact O-CD2 3.45Å; V681-Y684 PolarHBondContact O-N 3.03Å; P682-Y684 VanDerWaalsContact C-N 3.27Å; P682-Y684 PolarHBondContact O-N 2.97Å; Y684-N686 PolarHBondContact O-N 2.87Å; Y684-W687 PolarHBondContact O-N 3.26Å; Y684-T688 WeakPolarHBondContact O-CB 3.47Å; Y684-T688 PolarHBondContact O-N 2.86Å; Y684-T688 PolarHBondContact O-OG1 2.91Å |
| 685 | L | 94.6 | Very high | 93.1 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.5 | -43.3 | -173.1 | -80.6 | 175 | 0 | 0 | 0 | 114.3 | L574 P575 Q576 P577 V681 W687 T688 V689 | L574-L685 HydrophobicContact CB-CD2 3.95Å; L574-L685 HydrophobicContact CD1-CD2 4.06Å; L574-L685 HydrophobicContact CD2-CD2 4.18Å; L574-L685 HydrophobicContact CG-CD2 4.29Å; P575-L685 HydrophobicContact CB-CD1 4.46Å; P575-L685 HydrophobicContact CG-CD1 3.98Å; P575-L685 WeakPolarHBondContact O-CD1 3.22Å; Q576-L685 WeakPolarHBondContact O-CD1 3.28Å; P577-L685 HydrophobicContact CB-CB 4.36Å; P577-L685 HydrophobicContact CG-CB 4.17Å; V681-L685 HydrophobicContact CG1-CD2 3.94Å; V681-L685 HydrophobicContact CG1-CG 4.26Å; V681-L685 WeakPolarHBondContact O-CG 3.46Å; V681-L685 PolarHBondContact O-N 2.81Å; L685-W687 VanDerWaalsContact C-N 3.28Å; L685-W687 PolarHBondContact O-N 3.29Å; L685-T688 WeakPolarHBondContact O-CB 3.39Å; L685-T688 PolarHBondContact O-N 3.34Å; L685-T688 VanDerWaalsContact O-N 3.13Å; L685-V689 WeakPolarHBondContact O-CG2 3.36Å; L685-V689 PolarHBondContact O-N 3.1Å |
| 686 | N | 93.8 | Very high | 93.1 | Very high | 98 Ų | 98 | 31.1 Ų | 31.1 | 52% | 0.524 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -60.7 | -40.1 | 179.1 | -74.9 | -15.5 | 0 | 0 | 0 | 111.7 | P577 Y684 S690 | P577-N686 WeakPolarHBondContact CB-OD1 3.5Å; P577-N686 WeakPolarHBondContact CG-OD1 3.09Å; Y684-N686 PolarHBondContact O-N 2.87Å; N686-S690 VanDerWaalsContact O-CB 3.29Å; N686-S690 WeakPolarHBondContact O-CB 3.26Å; N686-S690 PolarHBondContact O-N 2.99Å; N686-S690 VanDerWaalsContact O-N 3.14Å; N686-S690 PolarHBondContact O-OG 2.92Å |
| 687 | W | 95 | Very high | 92.9 | Very high | 50 Ų | 50 | 35.3 Ų | 35.3 | 19% | 0.189 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.7 | -44.6 | 173.5 | 167 | 81.9 | 0 | 0 | 0 | 111.7 | M541 H543 I554 V556 Y684 L685 G691 | M541-W687 HydrophobicContact CB-CZ2 4.39Å; M541-W687 HydrophobicContact CE-CD2 4.13Å; M541-W687 HydrophobicContact CE-CG 4.48Å; M541-W687 HydrophobicContact CE-CH2 4.3Å; M541-W687 HydrophobicContact CE-CZ2 3.4Å; M541-W687 VanDerWaalsContact CE-NE1 3.27Å; M541-W687 HydrophobicContact CG-CH2 4.39Å; M541-W687 HydrophobicContact CG-CZ2 4.01Å; H543-W687 HydrophobicContact CB-CD2 3.94Å; H543-W687 HydrophobicContact CB-CE3 4.2Å; H543-W687 HydrophobicContact CB-CH2 4.19Å; H543-W687 HydrophobicContact CB-CZ2 3.9Å; H543-W687 HydrophobicContact CB-CZ3 4.32Å; H543-W687 AromaticContact CE1-CD1 3.71Å; H543-W687 AromaticContact CE1-CG 3.79Å; H543-W687 AromaticContact CG-CD2 3.99Å; H543-W687 AromaticContact ND1-CD1 3.04Å; H543-W687 AromaticContact ND1-CD2 3.38Å; H543-W687 AromaticContact ND1-CE2 3.52Å; H543-W687 AromaticContact ND1-CG 3.1Å; H543-W687 AromaticContact ND1-NE1 3.23Å; H543-W687 PolarHBondContact ND1-NE1 2.79Å; I554-W687 HydrophobicContact CG1-CZ3 4.34Å; I554-W687 HydrophobicContact CG2-CE3 4.33Å; I554-W687 HydrophobicContact CG2-CH2 4.34Å; I554-W687 HydrophobicContact CG2-CZ3 3.81Å; V556-W687 HydrophobicContact CG2-CH2 4.1Å; V556-W687 HydrophobicContact CG2-CZ3 4.04Å; Y684-W687 PolarHBondContact O-N 3.26Å; L685-W687 VanDerWaalsContact C-N 3.28Å; L685-W687 PolarHBondContact O-N 3.29Å; W687-G691 PolarHBondContact O-N 2.78Å |
| 688 | T | 94.2 | Very high | 92 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.7 | -52.5 | 178.1 | -59.6 | 0 | 0 | 0 | 0 | 111.1 | I484 L497 V556 Y684 L685 G691 C692 | I484-T688 HydrophobicContact CD1-CG2 4.05Å; L497-T688 HydrophobicContact CD1-CG2 4.35Å; V556-T688 HydrophobicContact CG2-CG2 3.9Å; Y684-T688 WeakPolarHBondContact O-CB 3.47Å; Y684-T688 PolarHBondContact O-N 2.86Å; Y684-T688 PolarHBondContact O-OG1 2.91Å; L685-T688 WeakPolarHBondContact O-CB 3.39Å; L685-T688 PolarHBondContact O-N 3.34Å; L685-T688 VanDerWaalsContact O-N 3.13Å; T688-G691 PolarHBondContact O-N 2.91Å; T688-C692 PolarHBondContact O-N 3.44Å; T688-C692 PolarHBondContact O-SG 3.07Å |
| 689 | V | 93.4 | Very high | 90.4 | Very high | 36 Ų | 36 | 41.5 Ų | 41.5 | 22% | 0.218 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.4 | -46.7 | -177.1 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | P486 L685 G691 C692 R693 | P486-V689 HydrophobicContact CB-CG2 4.14Å; P486-V689 WeakPolarHBondContact O-CG1 3.43Å; L685-V689 WeakPolarHBondContact O-CG2 3.36Å; L685-V689 PolarHBondContact O-N 3.1Å; V689-G691 VanDerWaalsContact C-N 3.28Å; V689-G691 PolarHBondContact O-N 3.09Å; V689-C692 PolarHBondContact O-N 3.24Å; V689-R693 WeakPolarHBondContact O-CG 3.46Å; V689-R693 PolarHBondContact O-N 2.54Å |
| 690 | S | 92.4 | Very high | 88.1 | Confident | 63 Ų | 63 | 47.8 Ų | 47.8 | 44% | 0.441 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 177.1 | -54.8 | 0 | 0 | 0 | 0 | 111.1 | N686 R693 N694 | N686-S690 VanDerWaalsContact O-CB 3.29Å; N686-S690 WeakPolarHBondContact O-CB 3.26Å; N686-S690 PolarHBondContact O-N 2.99Å; N686-S690 VanDerWaalsContact O-N 3.14Å; N686-S690 PolarHBondContact O-OG 2.92Å; S690-R693 PolarHBondContact O-N 3.23Å; S690-N694 PolarHBondContact O-N 3.09Å; S690-N694 PolarHBondContact O-OD1 3.04Å |
| 691 | G | 91.5 | Very high | 85.7 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.7 | -48.6 | 175 | 0 | 0 | 0 | 0 | 0 | 114.3 | M541 W687 T688 V689 R693 N694 M695 | M541-G691 WeakPolarHBondContact SD-CA 3.2Å; W687-G691 PolarHBondContact O-N 2.78Å; T688-G691 PolarHBondContact O-N 2.91Å; V689-G691 VanDerWaalsContact C-N 3.28Å; V689-G691 PolarHBondContact O-N 3.09Å; G691-R693 VanDerWaalsContact C-N 3.34Å; G691-R693 PolarHBondContact O-N 2.93Å; G691-N694 PolarHBondContact O-N 3.21Å; G691-M695 WeakPolarHBondContact O-CG 3.43Å; G691-M695 PolarHBondContact O-N 3.36Å |
| 692 | C | 93.3 | Very high | 82.9 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62 | -41.5 | 177.2 | -63 | 0 | 0 | 0 | 0 | 112 | P486 F487 F495 T688 V689 M695 E696 | P486-C692 HydrophobicContact CB-CB 4.09Å; P486-C692 HydrophobicContact CG-CB 3.47Å; P486-C692 VanDerWaalsContact CG-CB 3.47Å; P486-C692 VanDerWaalsContact CG-SG 3.58Å; F487-C692 HydrophobicContact CD1-CB 4.48Å; F487-C692 HydrophobicContact CE1-CB 3.96Å; F495-C692 HydrophobicContact CD1-CB 4.01Å; F495-C692 HydrophobicContact CD2-CB 4.44Å; F495-C692 HydrophobicContact CE1-CB 3.83Å; F495-C692 HydrophobicContact CE2-CB 4.29Å; F495-C692 HydrophobicContact CG-CB 4.31Å; F495-C692 HydrophobicContact CZ-CB 3.98Å; F495-C692 WeakPolarHBondContact CZ-O 3.49Å; T688-C692 PolarHBondContact O-N 3.44Å; T688-C692 PolarHBondContact O-SG 3.07Å; V689-C692 PolarHBondContact O-N 3.24Å; C692-M695 PolarHBondContact O-N 3.22Å; C692-E696 WeakPolarHBondContact O-CB 3.28Å; C692-E696 PolarHBondContact O-N 3.33Å |
| 693 | R | 91.9 | Very high | 80.1 | Confident | 147 Ų | 147 | 60.9 Ų | 60.9 | 56% | 0.555 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61.9 | -42.1 | 175.6 | -71.3 | 177.7 | -179.5 | -130.5 | 0.9 | 111.8 | F487 V689 S690 G691 E696 A697 | F487-R693 HydrophobicContact CD1-CG 3.83Å; F487-R693 HydrophobicContact CE1-CG 4.14Å; V689-R693 WeakPolarHBondContact O-CG 3.46Å; V689-R693 PolarHBondContact O-N 2.54Å; S690-R693 PolarHBondContact O-N 3.23Å; G691-R693 VanDerWaalsContact C-N 3.34Å; G691-R693 PolarHBondContact O-N 2.93Å; R693-E696 PolarHBondContact O-N 3.49Å; R693-A697 WeakPolarHBondContact O-CB 3.37Å; R693-A697 PolarHBondContact O-N 2.81Å |
| 694 | N | 89.9 | Confident | 77.4 | Confident | 110 Ų | 110 | 65.8 Ų | 65.8 | 59% | 0.588 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -67.6 | -40.4 | 178.2 | -67.4 | -9.9 | 0 | 0 | 0 | 112.4 | S690 G691 E696 A697 T698 | S690-N694 PolarHBondContact O-N 3.09Å; S690-N694 PolarHBondContact O-OD1 3.04Å; G691-N694 PolarHBondContact O-N 3.21Å; N694-E696 VanDerWaalsContact C-N 3.32Å; N694-A697 PolarHBondContact O-N 2.91Å; N694-T698 WeakPolarHBondContact O-CG2 3.49Å; N694-T698 PolarHBondContact O-N 2.85Å; N694-T698 VanDerWaalsContact O-N 3.16Å; N694-T698 PolarHBondContact O-OG1 2.13Å |
| 695 | M | 90.9 | Very high | 74.7 | Confident | 7 Ų | 7 | 70.2 Ų | 70.2 | 3% | 0.034 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.8 | -30.7 | 173.4 | -72.1 | -169.9 | -68.3 | 0 | 0 | 112.7 | F495 N539 M541 V556 Q558 G691 C692 T698 | F495-M695 HydrophobicContact CD1-CE 4.33Å; F495-M695 HydrophobicContact CE1-CB 4.29Å; F495-M695 HydrophobicContact CE1-CE 4.19Å; N539-M695 HydrophobicContact CB-SD 4.34Å; M541-M695 HydrophobicContact CG-CE 3.88Å; M541-M695 HydrophobicContact CG-SD 4.21Å; M541-M695 HydrophobicContact SD-CE 3.84Å; M541-M695 HydrophobicContact SD-SD 4.34Å; V556-M695 HydrophobicContact CB-CE 4.12Å; V556-M695 HydrophobicContact CG1-CE 3.88Å; Q558-M695 HydrophobicContact CB-CB 4.43Å; Q558-M695 HydrophobicContact CB-SD 4.02Å; Q558-M695 PolarHBondContact NE2-O 3.09Å; Q558-M695 PolarHBondContact OE1-O 3.23Å; G691-M695 WeakPolarHBondContact O-CG 3.43Å; G691-M695 PolarHBondContact O-N 3.36Å; C692-M695 PolarHBondContact O-N 3.22Å; M695-T698 PolarHBondContact O-OG1 3.07Å |
| 696 | E | 85.1 | Confident | 72.1 | Confident | 41 Ų | 41 | 74.8 Ų | 74.8 | 19% | 0.192 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -73.4 | -47.5 | 172.4 | -173.5 | 160.5 | -99.1 | 0 | 0 | 112.1 | F487 R490 Q494 F495 Y562 C692 R693 N694 T698 S699 | F487-E696 WeakPolarHBondContact CE2-OE2 3.3Å; F487-E696 HydrophobicContact CZ-CB 4.48Å; F487-E696 VanDerWaalsContact CZ-OE2 3.22Å; F487-E696 WeakPolarHBondContact CZ-OE2 3.41Å; R490-E696 IonicContact CZ-OE1 3.35Å; R490-E696 IonicContact CZ-OE2 3.29Å; R490-E696 IonicContact NH1-OE1 2.71Å; R490-E696 PolarHBondContact NH1-OE1 2.34Å; R490-E696 IonicContact NH1-OE2 2.8Å; R490-E696 PolarHBondContact NH1-OE2 3.48Å; R490-E696 IonicContact NH2-OE1 3.57Å; R490-E696 IonicContact NH2-OE2 3.42Å; R490-E696 PolarHBondContact NH2-OE2 2.89Å; Q494-E696 PolarHBondContact NE2-OE1 3.17Å; Q494-E696 VanDerWaalsContact NE2-OE1 3.08Å; F495-E696 HydrophobicContact CZ-CB 4.25Å; Y562-E696 PolarHBondContact OH-OE1 2.77Å; Y562-E696 VanDerWaalsContact OH-OE1 3.04Å; C692-E696 WeakPolarHBondContact O-CB 3.28Å; C692-E696 PolarHBondContact O-N 3.33Å; R693-E696 PolarHBondContact O-N 3.49Å; N694-E696 VanDerWaalsContact C-N 3.32Å; E696-T698 PolarHBondContact O-N 2.85Å; E696-S699 WeakPolarHBondContact O-CB 3.41Å; E696-S699 PolarHBondContact O-N 2.9Å |
| 697 | A | 81.9 | Confident | 69.3 | Low | 89 Ų | 89 | 72.2 Ų | 72.2 | 74% | 0.736 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -63.3 | -25.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | R693 N694 S699 | R693-A697 WeakPolarHBondContact O-CB 3.37Å; R693-A697 PolarHBondContact O-N 2.81Å; N694-A697 PolarHBondContact O-N 2.91Å; A697-S699 VanDerWaalsContact C-N 3.31Å |
| 698 | T | 74.6 | Confident | 66.5 | Low | 102 Ų | 102 | 74.8 Ų | 74.8 | 63% | 0.626 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -0.8 | 174.4 | 47.6 | 0 | 0 | 0 | 0 | 113.7 | N694 M695 E696 | N694-T698 WeakPolarHBondContact O-CG2 3.49Å; N694-T698 PolarHBondContact O-N 2.85Å; N694-T698 VanDerWaalsContact O-N 3.16Å; N694-T698 PolarHBondContact O-OG1 2.13Å; M695-T698 PolarHBondContact O-OG1 3.07Å; E696-T698 PolarHBondContact O-N 2.85Å |
| 699 | S | 60.9 | Low | 63.6 | Low | 27 Ų | 27 | 85.4 Ų | 85.4 | 19% | 0.189 | 48% | 0.476 | C | S | . | . | trans | -93 | 100.3 | -179.5 | -178.9 | 0 | 0 | 0 | 0 | 111.6 | K538 E696 A697 T701 | K538-S699 PolarHBondContact NZ-OG 2.72Å; E696-S699 WeakPolarHBondContact O-CB 3.41Å; E696-S699 PolarHBondContact O-N 2.9Å; A697-S699 VanDerWaalsContact C-N 3.31Å; S699-T701 PolarHBondContact O-N 2.93Å; S699-T701 PolarHBondContact OG-OG1 2.91Å | ||
| 700 | T | 48 | Very low | 60.6 | Low | 134 Ų | 134 | 86.6 Ų | 86.6 | 82% | 0.822 | 50% | 0.496 | S | S | * | . | trans | -64.4 | 2.2 | 177.3 | 50.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 701 | T | 44.4 | Very low | 57.6 | Low | 77 Ų | 77 | 92.6 Ų | 92.6 | 47% | 0.472 | 52% | 0.522 | S | S | . | . | trans | -92.3 | 103.6 | -174.4 | -17.2 | 0 | 0 | 0 | 0 | 110 | K538 S699 | K538-T701 PolarHBondContact NZ-OG1 2.8Å; K538-T701 VanDerWaalsContact NZ-OG1 3.09Å; S699-T701 PolarHBondContact O-N 2.93Å; S699-T701 PolarHBondContact OG-OG1 2.91Å | ||
| 702 | T | 38.1 | Very low | 54.5 | Low | 78 Ų | 78 | 96 Ų | 96 | 48% | 0.479 | 56% | 0.556 | S | S | . | * | trans | -72.3 | 162.1 | 171.4 | 62.2 | 0 | 0 | 0 | 0 | 110.5 | E704 | T702-E704 PolarHBondContact O-N 2.89Å; T702-E704 VanDerWaalsContact O-N 3.08Å | ||
| 703 | W | 37.7 | Very low | 51.6 | Low | 156 Ų | 156 | 104.3 Ų | 104.3 | 59% | 0.591 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -13.3 | 178.6 | -77.1 | 93 | 0 | 0 | 0 | 114 | Y562 | Y562-W703 AromaticContact CD1-CH2 3.59Å; Y562-W703 HydrophobicContact CD1-CH2 3.59Å; Y562-W703 AromaticContact CD1-CZ2 3.83Å; Y562-W703 HydrophobicContact CD1-CZ2 3.83Å; Y562-W703 AromaticContact CD2-CH2 3.62Å; Y562-W703 HydrophobicContact CD2-CH2 3.62Å; Y562-W703 AromaticContact CD2-CZ2 3.88Å; Y562-W703 HydrophobicContact CD2-CZ2 3.88Å; Y562-W703 HydrophobicContact CD2-CZ3 4Å; Y562-W703 AromaticContact CE1-CH2 3.81Å; Y562-W703 HydrophobicContact CE1-CH2 3.81Å; Y562-W703 AromaticContact CE1-CZ2 3.51Å; Y562-W703 HydrophobicContact CE1-CZ2 3.51Å; Y562-W703 AromaticContact CE2-CE2 3.92Å; Y562-W703 AromaticContact CE2-CH2 3.84Å; Y562-W703 HydrophobicContact CE2-CH2 3.84Å; Y562-W703 AromaticContact CE2-CZ2 3.56Å; Y562-W703 HydrophobicContact CE2-CZ2 3.56Å; Y562-W703 HydrophobicContact CE2-CZ3 4.41Å; Y562-W703 AromaticContact CG-CH2 3.48Å; Y562-W703 HydrophobicContact CG-CH2 3.48Å; Y562-W703 VanDerWaalsContact CG-CH2 3.48Å; Y562-W703 AromaticContact CG-CZ2 3.99Å; Y562-W703 HydrophobicContact CG-CZ2 3.99Å; Y562-W703 HydrophobicContact CG-CZ3 4.1Å; Y562-W703 AromaticContact CZ-CE2 3.93Å; Y562-W703 AromaticContact CZ-CH2 3.9Å; Y562-W703 AromaticContact CZ-CZ2 3.35Å |
| 704 | E | 38.4 | Very low | 48.7 | Very low | 157 Ų | 157 | 106.1 Ų | 106.1 | 73% | 0.734 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -28.7 | -172.1 | -64.7 | 167.6 | 143.1 | 0 | 0 | 113.1 | T702 A706 G707 | T702-E704 PolarHBondContact O-N 2.89Å; T702-E704 VanDerWaalsContact O-N 3.08Å; E704-A706 VanDerWaalsContact C-N 3.28Å; E704-A706 PolarHBondContact O-N 3.36Å; E704-G707 PolarHBondContact O-N 2.95Å |
| 705 | E | 38.8 | Very low | 45.8 | Very low | 98 Ų | 98 | 110.1 Ų | 110.1 | 46% | 0.458 | 63% | 0.629 | S | S | . | * | G | 310 helix | trans | -70 | -22.2 | -175.8 | -68 | -167.2 | 122.7 | 0 | 0 | 113.9 | G707 | E705-G707 VanDerWaalsContact C-N 3.26Å; E705-G707 PolarHBondContact O-N 2.73Å |
| 706 | A | 39.2 | Very low | 43.1 | Very low | 98 Ų | 98 | 114.9 Ų | 114.9 | 81% | 0.81 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -72.6 | -13.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E704 | E704-A706 VanDerWaalsContact C-N 3.28Å; E704-A706 PolarHBondContact O-N 3.36Å |
| 707 | G | 34.8 | Very low | 40.5 | Very low | 45 Ų | 45 | 118.8 Ų | 118.8 | 46% | 0.464 | 68% | 0.684 | S | S | . | * | G | 310 helix | trans | -91.5 | -15.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | E704 E705 | E704-G707 PolarHBondContact O-N 2.95Å; E705-G707 VanDerWaalsContact C-N 3.26Å; E705-G707 PolarHBondContact O-N 2.73Å |
| 708 | S | 36.4 | Very low | 38.3 | Very low | 103 Ų | 103 | 119.9 Ų | 119.9 | 72% | 0.72 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -120.8 | -0.3 | -156.1 | -60.1 | 0 | 0 | 0 | 0 | 116.4 | ||
| 709 | R | 34.7 | Very low | 36.3 | Very low | 223 Ų | 223 | 125.8 Ų | 125.8 | 84% | 0.842 | 69% | 0.692 | S | S | * | * | trans | -105.8 | 74.8 | 174.4 | -69.6 | -170.4 | -173.8 | 164.2 | 9.2 | 112.3 | ||||
| 710 | G | 30 | Very low | 34.7 | Very low | 62 Ų | 62 | 133.1 Ų | 133.1 | 64% | 0.639 | 72% | 0.723 | S | S | * | * | trans | -110.3 | 158.7 | 156.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 711 | L | 29.4 | Very low | 33.9 | Very low | 189 Ų | 189 | 134.4 Ų | 134.4 | 99% | 0.99 | 73% | 0.725 | S | S | * | * | trans | 84.7 | 122.7 | 178.9 | -52.4 | 171.7 | 0 | 0 | 0 | 116.8 | ||||
| 712 | G | 25.9 | Very low | 33.1 | Very low | 72 Ų | 72 | 139.3 Ų | 139.3 | 74% | 0.742 | 74% | 0.743 | S | S | * | * | trans | 119.7 | 95.5 | 159.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 713 | I | 32.1 | Very low | 32.6 | Very low | 176 Ų | 176 | 144.3 Ų | 144.3 | 90% | 0.903 | 75% | 0.754 | S | S | * | * | 172.9 | 150 | 127.6 | -86 | 155.6 | 0 | 0 | 0 | 109.1 | |||||
| 714 | Q | 32.4 | Very low | 32.1 | Very low | 185 Ų | 185 | 148.7 Ų | 148.7 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | trans | -73.5 | 161.9 | -160.4 | -67.2 | 156.3 | -78.5 | 0 | 0 | 116.1 | ||||
| 715 | E | 29 | Very low | 31.8 | Very low | 193 Ų | 193 | 145.3 Ų | 145.3 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | trans | -73.4 | 131.4 | 176.8 | -58.4 | 171.4 | 151.1 | 0 | 0 | 112.4 | ||||
| 716 | D | 33.3 | Very low | 31.3 | Very low | 108 Ų | 108 | 145.8 Ų | 145.8 | 58% | 0.578 | 77% | 0.765 | S | S | * | * | trans | -120.5 | 110.8 | 160.1 | 176.1 | -14.2 | 0 | 0 | 0 | 107.5 | T718 | D716-T718 PolarHBondContact O-N 2.87Å; D716-T718 VanDerWaalsContact O-N 3.1Å; D716-T718 WeakPolarHBondContact OD1-CB 3.48Å; D716-T718 PolarHBondContact OD1-N 3.04Å; D716-T718 PolarHBondContact OD1-OG1 3.32Å | ||
| 717 | P | 31 | Very low | 30.8 | Very low | 123 Ų | 123 | 150.8 Ų | 150.8 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 5 | -174.2 | -20.8 | 34 | 0 | 0 | 0 | 116.3 | ||
| 718 | T | 35 | Very low | 30.4 | Very low | 111 Ų | 111 | 156.2 Ų | 156.2 | 68% | 0.681 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | 12.4 | -166.7 | 64.9 | 0 | 0 | 0 | 0 | 116.3 | D716 | D716-T718 PolarHBondContact O-N 2.87Å; D716-T718 VanDerWaalsContact O-N 3.1Å; D716-T718 WeakPolarHBondContact OD1-CB 3.48Å; D716-T718 PolarHBondContact OD1-N 3.04Å; D716-T718 PolarHBondContact OD1-OG1 3.32Å |
| 719 | R | 34 | Very low | 30 | Very low | 227 Ų | 227 | 157 Ų | 157 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | trans | -130.8 | 64 | -179.7 | -70.1 | -170.5 | 175.5 | -167.3 | 1.3 | 115 | N721 | R719-N721 PolarHBondContact O-N 2.95Š| ||
| 720 | E | 26.8 | Very low | 29.6 | Very low | 181 Ų | 181 | 152.3 Ų | 152.3 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | -72.3 | 106.9 | 164 | -71.9 | -168.3 | 135.3 | 0 | 0 | 111.4 | ||||
| 721 | N | 30 | Very low | 29.5 | Very low | 161 Ų | 161 | 155.3 Ų | 155.3 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 161.5 | 48.3 | 139.2 | -87.5 | -63 | 0 | 0 | 0 | 112.7 | R719 | R719-N721 PolarHBondContact O-N 2.95Š|
| 722 | E | 29 | Very low | 29.7 | Very low | 180 Ų | 180 | 152.9 Ų | 152.9 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | trans | -156.2 | 64.4 | 173.4 | -139.9 | 173.7 | -152.9 | 0 | 0 | 113.8 | ||||
| 723 | Y | 26.7 | Very low | 30.2 | Very low | 183 Ų | 183 | 156.8 Ų | 156.8 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | trans | -156.2 | 115.7 | 169.6 | -126.9 | -82.8 | 0 | 0 | 0 | 114.1 | N726 | Y723-N726 PolarHBondContact OH-ND2 3.38Š| ||
| 724 | Y | 28 | Very low | 30.3 | Very low | 248 Ų | 248 | 157.5 Ų | 157.5 | 97% | 0.973 | 75% | 0.753 | S | S | * | * | trans | -160.9 | 71.8 | 151.8 | -90.5 | -66.1 | 0 | 0 | 0 | 108.4 | ||||
| 725 | D | 30.6 | Very low | 30.3 | Very low | 86 Ų | 86 | 154.9 Ų | 154.9 | 46% | 0.46 | 74% | 0.741 | S | S | . | * | trans | -136.3 | 157.3 | 162 | -128.5 | -24.5 | 0 | 0 | 0 | 106 | R561 | R561-D725 IonicContact NH2-OD1 3.88Š| ||
| 726 | N | 29.9 | Very low | 30.4 | Very low | 107 Ų | 107 | 150.3 Ų | 150.3 | 57% | 0.572 | 73% | 0.73 | S | S | * | * | trans | 93.3 | 86.9 | -178 | -50.8 | -33.4 | 0 | 0 | 0 | 117.5 | Y723 | Y723-N726 PolarHBondContact OH-ND2 3.38Š| ||
| 727 | F | 28 | Very low | 30.4 | Very low | 203 Ų | 203 | 150.6 Ų | 150.6 | 89% | 0.89 | 74% | 0.736 | S | S | * | * | trans | -136 | 89.9 | 138.9 | -102.8 | -82.2 | 0 | 0 | 0 | 109.7 | ||||
| 728 | F | 27 | Very low | 30.4 | Very low | 159 Ų | 159 | 153.5 Ų | 153.5 | 70% | 0.697 | 74% | 0.736 | S | S | * | * | trans | -101.2 | 109.9 | 160.3 | -89.1 | -86.5 | 0 | 0 | 0 | 108.1 | ||||
| 729 | V | 27.6 | Very low | 30.2 | Very low | 121 Ų | 121 | 155 Ų | 155 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | trans | -82.6 | 129.5 | 166.8 | 179.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 730 | K | 26.2 | Very low | 30.1 | Very low | 123 Ų | 123 | 153.6 Ų | 153.6 | 54% | 0.535 | 73% | 0.733 | S | S | . | * | trans | -62.7 | 142.1 | -176.1 | -69.6 | -177.4 | 156.2 | -145.6 | 0 | 111.9 | E732 | K730-E732 HydrophobicContact CB-CG 4.48Å; K730-E732 WeakPolarHBondContact CD-OE1 3.33Å; K730-E732 IonicContact NZ-OE1 2.73Å; K730-E732 PolarHBondContact O-N 3.13Å | ||
| 731 | P | 27.7 | Very low | 30.2 | Very low | 126 Ų | 126 | 150.9 Ų | 150.9 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | 4.4 | 178.9 | -23 | 34.9 | 0 | 0 | 0 | 116.7 | ||
| 732 | E | 33.2 | Very low | 30.3 | Very low | 138 Ų | 138 | 147.4 Ų | 147.4 | 65% | 0.645 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | -10.4 | -164 | -56.2 | 176.4 | -103.2 | 0 | 0 | 113.4 | K730 | K730-E732 HydrophobicContact CB-CG 4.48Å; K730-E732 WeakPolarHBondContact CD-OE1 3.33Å; K730-E732 IonicContact NZ-OE1 2.73Å; K730-E732 PolarHBondContact O-N 3.13Å |
| 733 | H | 37.2 | Very low | 30.5 | Very low | 153 Ų | 153 | 146.6 Ų | 146.6 | 71% | 0.708 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -100.9 | 3.6 | -173.9 | -92.3 | 82 | 0 | 0 | 0 | 115.7 | ||
| 734 | F | 33 | Very low | 30.6 | Very low | 191 Ų | 191 | 145.8 Ų | 145.8 | 84% | 0.838 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -92.9 | -9.7 | 177.8 | -112.7 | -90.1 | 0 | 0 | 0 | 114.5 | ||
| 735 | E | 32.6 | Very low | 30.9 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 61% | 0.607 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -84 | -11.5 | -175.5 | -84.4 | -138.7 | 166.7 | 0 | 0 | 115.7 | K739 | E735-K739 IonicContact OE2-NZ 2.61Å; E735-K739 PolarHBondContact OE2-NZ 3.19Å |
| 736 | S | 32.1 | Very low | 30.7 | Very low | 97 Ų | 97 | 149.1 Ų | 149.1 | 68% | 0.678 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -89.8 | -9.6 | -171.6 | 58.2 | 0 | 0 | 0 | 0 | 115.6 | ||
| 737 | V | 32.1 | Very low | 30.7 | Very low | 114 Ų | 114 | 149.4 Ų | 149.4 | 69% | 0.691 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -97.8 | -17.5 | -173.6 | -178.7 | 0 | 0 | 0 | 0 | 113.8 | ||
| 738 | F | 32 | Very low | 30.7 | Very low | 184 Ų | 184 | 143.9 Ų | 143.9 | 81% | 0.807 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -116.9 | 13.5 | -179.7 | -75.8 | -79.7 | 0 | 0 | 0 | 115.1 | K740 | F738-K740 PolarHBondContact O-N 3.42Å; F738-K740 VanDerWaalsContact O-N 3.16Å |
| 739 | K | 30.8 | Very low | 30.7 | Very low | 143 Ų | 143 | 143 Ų | 143 | 62% | 0.622 | 72% | 0.72 | S | S | * | * | trans | -87.1 | 68.1 | 172 | -85.5 | 174.2 | 173.2 | 162.6 | 0 | 113.1 | E735 | E735-K739 IonicContact OE2-NZ 2.61Å; E735-K739 PolarHBondContact OE2-NZ 3.19Å | ||
| 740 | K | 31.2 | Very low | 30.8 | Very low | 198 Ų | 198 | 143.5 Ų | 143.5 | 86% | 0.861 | 72% | 0.719 | S | S | * | * | trans | -138.3 | 84.8 | 141.6 | -81.6 | -168.8 | 177.6 | 179.8 | 0 | 106.7 | F738 | F738-K740 PolarHBondContact O-N 3.42Å; F738-K740 VanDerWaalsContact O-N 3.16Å | ||
| 741 | V | 29.8 | Very low | 30.8 | Very low | 123 Ų | 123 | 146.9 Ų | 146.9 | 75% | 0.745 | 73% | 0.729 | S | S | * | * | 76.9 | 127 | 86.4 | 164.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 742 | P | 32.1 | Very low | 30.8 | Very low | 89 Ų | 89 | 149.7 Ų | 149.7 | 58% | 0.578 | 73% | 0.729 | S | S | * | * | cis | -142.6 | -178.6 | -16.5 | 38.9 | -19 | 0 | 0 | 0 | 116.2 | ||||
| 743 | E | 31.6 | Very low | 30.5 | Very low | 163 Ų | 163 | 146.6 Ų | 146.6 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | trans | 53.8 | 120.2 | 144.7 | -70.3 | 154.4 | 170.1 | 0 | 0 | 120 | ||||
| 744 | F | 29.5 | Very low | 29.9 | Very low | 166 Ų | 166 | 146 Ų | 146 | 73% | 0.728 | 74% | 0.735 | S | S | * | * | -153.6 | 129.8 | 66.8 | -123.6 | -102.7 | 0 | 0 | 0 | 114.6 | |||||
| 745 | Q | 33.8 | Very low | 29.6 | Very low | 164 Ų | 164 | 146.5 Ų | 146.5 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | trans | 44.5 | 109.4 | 145.3 | -62.5 | -177.9 | -10.4 | 0 | 0 | 122.4 | ||||
| 746 | R | 26.5 | Very low | 29.3 | Very low | 240 Ų | 240 | 143.7 Ų | 143.7 | 91% | 0.906 | 75% | 0.746 | S | S | * | * | trans | -55.6 | 166.5 | 140.8 | -67.2 | 179.1 | -178.2 | 169.3 | 0.7 | 110.4 | ||||
| 747 | P | 30 | Very low | 29 | Very low | 112 Ų | 112 | 148.4 Ų | 148.4 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | cis | -156.1 | 176.9 | 37.6 | 42.5 | -19.4 | 0 | 0 | 0 | 121.2 | ||||
| 748 | S | 28.6 | Very low | 28.7 | Very low | 87 Ų | 87 | 152.1 Ų | 152.1 | 61% | 0.608 | 77% | 0.77 | S | S | * | * | trans | 67.7 | 118.8 | 140.4 | 63.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 749 | N | 27.9 | Very low | 28.5 | Very low | 141 Ų | 141 | 148.5 Ų | 148.5 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | 83.7 | 129 | 129.5 | -65.7 | 1.9 | 0 | 0 | 0 | 120.6 | |||||
| 750 | N | 28.1 | Very low | 28.3 | Very low | 132 Ų | 132 | 147.8 Ų | 147.8 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | 86.4 | 127.7 | 137.9 | -73.4 | 0.1 | 0 | 0 | 0 | 120.1 | ||||
| 751 | Y | 27.3 | Very low | 28.1 | Very low | 193 Ų | 193 | 148.6 Ų | 148.6 | 76% | 0.757 | 78% | 0.779 | S | S | * | * | trans | 90.4 | 118.9 | 145 | -82.2 | -135.8 | 0 | 0 | 0 | 119.4 | ||||
| 752 | F | 27.3 | Very low | 28 | Very low | 186 Ų | 186 | 153.8 Ų | 153.8 | 82% | 0.816 | 79% | 0.785 | S | S | * | * | trans | 60.4 | 139.3 | 138.7 | -76.5 | -109.2 | 0 | 0 | 0 | 121 | ||||
| 753 | G | 26.4 | Very low | 27.9 | Very low | 73 Ų | 73 | 159.3 Ų | 159.3 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | 102.3 | 131.5 | 126.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | E755 | G753-E755 PolarHBondContact O-N 3.24Š| |||
| 754 | L | 25.9 | Very low | 27.7 | Very low | 140 Ų | 140 | 157.9 Ų | 157.9 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -75.2 | 106.1 | 160.2 | -77.1 | 150.3 | 0 | 0 | 0 | 108.6 | ||
| 755 | E | 26.3 | Very low | 27.7 | Very low | 201 Ų | 201 | 152.7 Ų | 152.7 | 94% | 0.939 | 79% | 0.792 | S | S | * | * | trans | 173.4 | 99.1 | 148.5 | -101.5 | 170.4 | -158.6 | 0 | 0 | 109.1 | G753 | G753-E755 PolarHBondContact O-N 3.24Š| ||
| 756 | G | 25.3 | Very low | 27.5 | Very low | 71 Ų | 71 | 156 Ų | 156 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | trans | -178.5 | 9.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 757 | M | 26.1 | Very low | 27.6 | Very low | 196 Ų | 196 | 149.9 Ų | 149.9 | 97% | 0.966 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -131.5 | 30 | 171.2 | -71.1 | -162.3 | 80.7 | 0 | 0 | 114.6 | ||
| 758 | Q | 26.3 | Very low | 27.4 | Very low | 192 Ų | 192 | 149.5 Ų | 149.5 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -111.5 | 91.1 | 153 | -73.5 | -171.9 | -3.4 | 0 | 0 | 108.9 | ||
| 759 | S | 27.3 | Very low | 27.3 | Very low | 108 Ų | 108 | 150.8 Ų | 150.8 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 174.7 | 6.8 | 156.4 | 44.2 | 0 | 0 | 0 | 0 | 117 | ||
| 760 | V | 26.8 | Very low | 27.6 | Very low | 128 Ų | 128 | 151.8 Ų | 151.8 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -117 | 62.6 | 171.9 | -164.8 | 0 | 0 | 0 | 0 | 112.3 | ||
| 761 | F | 26.5 | Very low | 27.5 | Very low | 216 Ų | 216 | 155.1 Ų | 155.1 | 95% | 0.947 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -157.3 | 59.2 | 141.9 | -88.2 | -60 | 0 | 0 | 0 | 109.3 | ||
| 762 | R | 28.7 | Very low | 27.6 | Very low | 231 Ų | 231 | 155.7 Ų | 155.7 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | trans | -141.3 | 81.9 | 164.6 | -84.9 | -167.4 | 175.9 | -177.7 | -1 | 110.4 | ||||
| 763 | R | 29.6 | Very low | 27.6 | Very low | 205 Ų | 205 | 153.3 Ų | 153.3 | 77% | 0.774 | 81% | 0.813 | S | S | * | * | trans | -164.6 | 140.5 | 142.9 | -102.6 | 148.4 | -158.3 | -98.3 | -6 | 110.5 | ||||
| 764 | P | 28.5 | Very low | 27.5 | Very low | 133 Ų | 133 | 156.6 Ų | 156.6 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | trans | -101.4 | 164.2 | -174.5 | 18.8 | 1.4 | 0 | 0 | 0 | 112.8 | ||||
| 765 | G | 28.6 | Very low | 27.6 | Very low | 57 Ų | 57 | 154.3 Ų | 154.3 | 59% | 0.588 | 81% | 0.809 | S | S | * | * | trans | 102.1 | 72.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 766 | Y | 29.8 | Very low | 27.7 | Very low | 235 Ų | 235 | 153.8 Ų | 153.8 | 92% | 0.922 | 81% | 0.809 | S | S | * | * | trans | -165.1 | 48.5 | 154.9 | -110.7 | -77.5 | 0 | 0 | 0 | 108.3 | ||||
| 767 | T | 28.4 | Very low | 27.9 | Very low | 110 Ų | 110 | 155.2 Ų | 155.2 | 68% | 0.675 | 80% | 0.803 | S | S | * | * | 56.1 | 98.1 | 96.8 | 63 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 768 | S | 25.3 | Very low | 28.2 | Very low | 104 Ų | 104 | 149.4 Ų | 149.4 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 48.7 | 88.6 | 148.2 | 61.4 | 0 | 0 | 0 | 0 | 119.8 | ||
| 769 | S | 27.6 | Very low | 28.8 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -167.6 | -22.5 | 143.9 | 55.7 | 0 | 0 | 0 | 0 | 114.3 | ||
| 770 | L | 33.8 | Very low | 30.1 | Very low | 162 Ų | 162 | 144.8 Ų | 144.8 | 85% | 0.848 | 75% | 0.75 | S | S | * | * | trans | -98.1 | 8.6 | -170.7 | -81.7 | 152.3 | 0 | 0 | 0 | 116.4 | K772 | L770-K772 PolarHBondContact O-N 2.87Å; L770-K772 VanDerWaalsContact O-N 3.13Å | ||
| 771 | F | 26.1 | Very low | 31.8 | Very low | 202 Ų | 202 | 142.1 Ų | 142.1 | 89% | 0.886 | 73% | 0.726 | S | S | * | * | trans | -87.5 | 64.6 | 179.2 | -76.4 | -85.4 | 0 | 0 | 0 | 113 | ||||
| 772 | K | 28.6 | Very low | 34.3 | Very low | 206 Ų | 206 | 136.4 Ų | 136.4 | 90% | 0.896 | 70% | 0.703 | S | S | * | * | trans | -149.8 | 62.6 | 168.6 | -81 | -165.1 | 179 | 176 | 0 | 113.1 | L770 | L770-K772 PolarHBondContact O-N 2.87Å; L770-K772 VanDerWaalsContact O-N 3.13Å | ||
| 773 | D | 26.9 | Very low | 37.2 | Very low | 136 Ų | 136 | 127.2 Ų | 127.2 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | trans | -149.6 | 138.8 | 131 | -164.7 | 16.7 | 0 | 0 | 0 | 110 | S775 | D773-S775 PolarHBondContact OD2-OG 2.87Š| ||
| 774 | N | 25.8 | Very low | 40.1 | Very low | 141 Ų | 141 | 117.5 Ų | 117.5 | 75% | 0.754 | 64% | 0.637 | S | S | * | * | trans | -102.5 | 24.4 | -164.1 | -138.3 | 7.9 | 0 | 0 | 0 | 112.2 | ||||
| 775 | S | 26.5 | Very low | 43 | Very low | 92 Ų | 92 | 113.4 Ų | 113.4 | 64% | 0.643 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -3.2 | -159.3 | 46.9 | 0 | 0 | 0 | 0 | 115.8 | D773 | D773-S775 PolarHBondContact OD2-OG 2.87Š|
| 776 | M | 30.1 | Very low | 45.8 | Very low | 190 Ų | 190 | 111.9 Ų | 111.9 | 94% | 0.936 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | 22 | 171.9 | -70.3 | -165.5 | 175.1 | 0 | 0 | 114.1 | ||
| 777 | V | 28.7 | Very low | 48.1 | Very low | 102 Ų | 102 | 101.7 Ų | 101.7 | 62% | 0.618 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -142.5 | 75.4 | -174.4 | -166.9 | 0 | 0 | 0 | 0 | 112.8 | ||
| 778 | N | 32.4 | Very low | 50.6 | Low | 73 Ų | 73 | 98 Ų | 98 | 39% | 0.39 | 53% | 0.528 | S | S | . | . | trans | 164.4 | 102.2 | 150.6 | -90.7 | -34.6 | 0 | 0 | 0 | 108.8 | Y780 N840 | N778-Y780 VanDerWaalsContact C-N 3.3Å; N778-Y780 HydrophobicContact CB-CD2 3.92Å; N778-Y780 HydrophobicContact CB-CE2 3.73Å; N778-Y780 WeakPolarHBondContact O-CD2 3.44Å; N778-Y780 PolarHBondContact O-N 2.98Å; N778-N840 PolarHBondContact OD1-ND2 2.03Å | ||
| 779 | A | 37.8 | Very low | 52.9 | Low | 71 Ų | 71 | 95.1 Ų | 95.1 | 59% | 0.587 | 51% | 0.508 | S | S | * | . | trans | -68 | 96.6 | 157.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | Y781 | A779-Y781 WeakPolarHBondContact O-CD2 3.39Å; A779-Y781 PolarHBondContact O-N 2.79Å | ||
| 780 | Y | 54.7 | Low | 55 | Low | 132 Ų | 132 | 90.4 Ų | 90.4 | 52% | 0.518 | 47% | 0.474 | S | S | . | . | trans | -65.7 | 98.9 | 179.2 | -82.6 | -83.9 | 0 | 0 | 0 | 109.5 | N778 E782 L838 | N778-Y780 VanDerWaalsContact C-N 3.3Å; N778-Y780 HydrophobicContact CB-CD2 3.92Å; N778-Y780 HydrophobicContact CB-CE2 3.73Å; N778-Y780 WeakPolarHBondContact O-CD2 3.44Å; N778-Y780 PolarHBondContact O-N 2.98Å; Y780-E782 PolarHBondContact O-N 3.36Å; Y780-E782 VanDerWaalsContact O-N 3.07Å; Y780-L838 HydrophobicContact CD1-CB 4.38Å; Y780-L838 HydrophobicContact CE1-CB 3.93Å | ||
| 781 | Y | 63.6 | Low | 56.1 | Low | 73 Ų | 73 | 83.4 Ų | 83.4 | 29% | 0.286 | 44% | 0.438 | S | S | . | . | trans | -71.3 | 102.5 | 172.7 | -60.6 | -68.7 | 0 | 0 | 0 | 109.3 | A779 Y914 R919 | A779-Y781 WeakPolarHBondContact O-CD2 3.39Å; A779-Y781 PolarHBondContact O-N 2.79Å; Y781-Y914 VanDerWaalsContact CE2-O 3.3Å; Y781-Y914 WeakPolarHBondContact CE2-O 3.4Å; Y781-R919 VanDerWaalsContact CD1-NH2 3.28Å | ||
| 782 | E | 78.2 | Confident | 57.4 | Low | 96 Ų | 96 | 80.1 Ų | 80.1 | 45% | 0.449 | 42% | 0.423 | S | S | . | . | trans | -61.7 | 150.5 | 175.5 | -56.1 | -171.3 | 143.2 | 0 | 0 | 111.9 | Y780 V785 R1005 | Y780-E782 PolarHBondContact O-N 3.36Å; Y780-E782 VanDerWaalsContact O-N 3.07Å; E782-V785 HydrophobicContact CB-CG2 4.04Å; E782-R1005 IonicContact OE1-CZ 3.51Å; E782-R1005 IonicContact OE1-NH2 3.4Å; E782-R1005 PolarHBondContact OE1-NH2 3Å; E782-R1005 IonicContact OE2-CZ 3.68Å; E782-R1005 IonicContact OE2-NE 2.9Å; E782-R1005 PolarHBondContact OE2-NE 3.01Å; E782-R1005 IonicContact OE2-NH2 2.76Å; E782-R1005 PolarHBondContact OE2-NH2 2.81Å | ||
| 783 | C | 90.7 | Very high | 58.5 | Low | 38 Ų | 38 | 77.8 Ų | 77.8 | 26% | 0.257 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 148 | 172.3 | 69.3 | 0 | 0 | 0 | 0 | 111.5 | V785 P920 C922 | C783-V785 PolarHBondContact O-N 3.4Å; C783-V785 VanDerWaalsContact O-N 3.09Å; C783-P920 CarbonylContact C-O 3.46Å; C783-P920 WeakPolarHBondContact CA-O 3.49Å; C783-P920 HydrophobicContact CB-CG 4.2Å; C783-C922 HydrophobicContact CB-CB 3.99Å; C783-C922 WeakPolarHBondContact CB-SG 3.29Å; C783-C922 PolarHBondContact O-SG 3.24Å; C783-C922 WeakPolarHBondContact SG-CA 3.4Å; C783-C922 WeakPolarHBondContact SG-CB 3.32Å; C783-C922 CovalentContact SG-SG 2.05Å; C783-C922 PolarHBondContact SG-SG 3.45Å |
| 784 | G | 90.7 | Very high | 59 | Low | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 10.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | P786 P920 Y1006 | G784-P786 WeakPolarHBondContact O-CD 3.3Å; G784-P920 PolarHBondContact N-O 3.2Å; G784-Y1006 WeakPolarHBondContact CA-O 3.1Å; G784-Y1006 WeakPolarHBondContact O-CD2 3.28Å; G784-Y1006 PolarHBondContact O-N 3.04Å |
| 785 | V | 89.2 | Confident | 59.4 | Low | 48 Ų | 48 | 70.2 Ų | 70.2 | 29% | 0.291 | 38% | 0.375 | S | S | . | . | trans | -111 | 99.1 | 177.5 | -177.5 | 0 | 0 | 0 | 0 | 110 | E782 C783 R919 R1005 | E782-V785 HydrophobicContact CB-CG2 4.04Å; C783-V785 PolarHBondContact O-N 3.4Å; C783-V785 VanDerWaalsContact O-N 3.09Å; V785-R919 WeakPolarHBondContact O-CD 3.36Å; V785-R919 PolarHBondContact O-NH1 3.17Å; V785-R1005 HydrophobicContact CG2-CG 3.84Å | ||
| 786 | P | 87.5 | Confident | 59.9 | Low | 25 Ų | 25 | 71.6 Ų | 71.6 | 16% | 0.162 | 38% | 0.375 | C | S | . | . | trans | -75.3 | 154.1 | 179.1 | 32.8 | -35.1 | 0 | 0 | 0 | 111.9 | G784 V790 S809 P811 W812 | G784-P786 WeakPolarHBondContact O-CD 3.3Å; P786-V790 HydrophobicContact CG-CG2 4.21Å; P786-S809 WeakPolarHBondContact CB-O 3.18Å; P786-P811 HydrophobicContact CB-CG 3.97Å; P786-W812 HydrophobicContact CB-CH2 4.2Å; P786-W812 HydrophobicContact CB-CZ3 4.18Å; P786-W812 HydrophobicContact CG-CH2 4.12Å; P786-W812 HydrophobicContact CG-CZ3 4.41Å | ||
| 787 | A | 77.9 | Confident | 59.9 | Low | 21 Ų | 21 | 65.8 Ų | 65.8 | 17% | 0.174 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -72.8 | -34.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E916 | A787-E916 HydrophobicContact CB-CB 3.54Å; A787-E916 HydrophobicContact CB-CG 3.77Å; A787-E916 WeakPolarHBondContact CB-O 3.27Å |
| 788 | F | 79.9 | Confident | 59.9 | Low | 31 Ų | 31 | 67.7 Ų | 67.7 | 14% | 0.136 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -107.3 | 134.1 | -178.5 | -49.4 | -86.4 | 0 | 0 | 0 | 109.3 | V790 H808 S809 E916 Y917 | F788-V790 PolarHBondContact O-N 3.1Å; F788-H808 HydrophobicContact CD2-CB 3.7Å; F788-H808 HydrophobicContact CE2-CB 3.68Å; F788-S809 WeakPolarHBondContact O-CA 3.42Å; F788-S809 VanDerWaalsContact O-CB 3.3Å; F788-S809 WeakPolarHBondContact O-CB 3.45Å; F788-E916 HydrophobicContact CE2-CB 3.92Å; F788-E916 HydrophobicContact CZ-CB 4.17Å; F788-Y917 HydrophobicContact CE2-CD1 4.2Å; F788-Y917 HydrophobicContact CE2-CE1 4.24Å; F788-Y917 HydrophobicContact CZ-CE1 4.11Å |
| 789 | S | 73.1 | Confident | 60.7 | Low | 44 Ų | 44 | 64.4 Ų | 64.4 | 31% | 0.308 | 32% | 0.324 | S | S | . | . | trans | -66 | 126.1 | -174.5 | 54.2 | 0 | 0 | 0 | 0 | 113 | L791 R806 | S789-L791 PolarHBondContact O-N 3.49Å; S789-L791 VanDerWaalsContact O-N 3.15Å; S789-R806 WeakPolarHBondContact O-CD 3.48Å; S789-R806 PolarHBondContact OG-NH1 2.9Å | ||
| 790 | V | 71.7 | Confident | 61.3 | Low | 16 Ų | 16 | 62.6 Ų | 62.6 | 10% | 0.097 | 31% | 0.306 | C | S | . | . | trans | -69.1 | 112.8 | 173.1 | 179.3 | 0 | 0 | 0 | 0 | 109.2 | P786 F788 K792 S809 L810 M956 Y1006 | P786-V790 HydrophobicContact CG-CG2 4.21Å; F788-V790 PolarHBondContact O-N 3.1Å; V790-K792 PolarHBondContact O-N 3.1Å; V790-S809 WeakPolarHBondContact CG2-O 3.47Å; V790-L810 HydrophobicContact CG1-CD2 4.24Å; V790-L810 HydrophobicContact CG2-CD2 3.67Å; V790-M956 HydrophobicContact CG1-CE 3.7Å; V790-M956 HydrophobicContact CG1-SD 4.2Å; V790-Y1006 HydrophobicContact CB-CE2 4.45Å; V790-Y1006 WeakPolarHBondContact CB-OH 3.38Å; V790-Y1006 HydrophobicContact CG2-CE2 4.11Å | ||
| 791 | L | 58.2 | Low | 61.6 | Low | 15 Ų | 15 | 61.1 Ų | 61.1 | 8% | 0.079 | 31% | 0.307 | C | S | . | . | trans | -77.6 | 119.4 | -172.6 | -59.9 | -171.7 | 0 | 0 | 0 | 112.2 | E455 S789 R793 R806 | E455-L791 HydrophobicContact CB-CD1 3.78Å; E455-L791 HydrophobicContact CB-CD2 3.93Å; E455-L791 HydrophobicContact CG-CD2 4.39Å; E455-L791 WeakPolarHBondContact OE2-CD2 3.34Å; S789-L791 PolarHBondContact O-N 3.49Å; S789-L791 VanDerWaalsContact O-N 3.15Å; L791-R793 PolarHBondContact O-N 2.95Å; L791-R806 HydrophobicContact CD1-CB 4.29Å; L791-R806 HydrophobicContact CD1-CG 4.47Å; L791-R806 HydrophobicContact CG-CB 3.94Å; L791-R806 HydrophobicContact CG-CG 4.32Å | ||
| 792 | K | 53.9 | Low | 61.8 | Low | 132 Ų | 132 | 57.7 Ų | 57.7 | 57% | 0.574 | 29% | 0.294 | S | S | * | . | trans | -81 | 103.6 | 173.6 | -71.6 | -172 | 176.2 | -178.6 | 0 | 111.2 | V790 F937 | V790-K792 PolarHBondContact O-N 3.1Å; K792-F937 HydrophobicContact CG-CZ 4.18Å | ||
| 793 | R | 50.7 | Low | 61.8 | Low | 157 Ų | 157 | 53.6 Ų | 53.6 | 59% | 0.592 | 28% | 0.275 | S | S | * | . | trans | 64.6 | 111.2 | 159 | -151 | 174.8 | -173.2 | -176 | 1.9 | 116.7 | R449 L791 | R449-R793 PolarHBondContact NH2-O 3.06Å; R449-R793 VanDerWaalsContact NH2-O 3.08Å; L791-R793 PolarHBondContact O-N 2.95Å | ||
| 794 | S | 37.2 | Very low | 61.6 | Low | 19 Ų | 19 | 52 Ų | 52 | 13% | 0.133 | 26% | 0.263 | C | S | . | . | trans | -118.8 | 124.2 | 147.7 | -151.6 | 0 | 0 | 0 | 0 | 107.8 | N796 | S794-N796 PolarHBondContact O-N 2.82Š| ||
| 795 | P | 35 | Very low | 61.5 | Low | 100 Ų | 100 | 52 Ų | 52 | 65% | 0.649 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -82.5 | 83.7 | -170.5 | 32.5 | -34.9 | 0 | 0 | 0 | 112 | ||
| 796 | N | 35.9 | Very low | 61.2 | Low | 121 Ų | 121 | 50.5 Ų | 50.5 | 65% | 0.647 | 25% | 0.252 | S | S | * | . | trans | -178.7 | 144.3 | 151.1 | -88 | -30.5 | 0 | 0 | 0 | 110.8 | S794 | S794-N796 PolarHBondContact O-N 2.82Š| ||
| 797 | E | 31.3 | Very low | 61 | Low | 68 Ų | 68 | 49.8 Ų | 49.8 | 32% | 0.318 | 25% | 0.248 | S | C | . | . | trans | 91.9 | 83.9 | 167.2 | -49.1 | -150.2 | 105.7 | 0 | 0 | 122.2 | F446 R448 G802 W803 | F446-E797 HydrophobicContact CE1-CB 3.97Å; F446-E797 HydrophobicContact CZ-CB 4.33Å; R448-E797 IonicContact CZ-OE2 3.01Å; R448-E797 IonicContact NH1-OE2 3.75Å; R448-E797 PolarHBondContact NH1-OE2 3.3Å; E797-G802 CarbonylContact C-O 3.53Å; E797-G802 VanDerWaalsContact O-O 3.1Å; E797-W803 WeakPolarHBondContact O-CA 3.37Å | ||
| 798 | R | 28 | Very low | 61.4 | Low | 142 Ų | 142 | 49 Ų | 49 | 54% | 0.536 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 65.5 | 83.4 | 134.1 | -66.1 | -179.9 | -85.8 | 148.5 | -6.3 | 122.9 | G802 L944 Q955 | R798-G802 CarbonylContact C-O 3.54Å; R798-G802 PolarHBondContact N-O 2.82Å; R798-L944 WeakPolarHBondContact O-CD2 3.47Å; R798-Q955 PolarHBondContact O-OE1 3Å |
| 799 | I | 49.4 | Very low | 61.8 | Low | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | S | Bend | -136.6 | 95.1 | 112.3 | -80.2 | -158.1 | 0 | 0 | 0 | 106 | N801 G802 L944 Q955 D988 | I799-N801 VanDerWaalsContact C-N 3.28Å; I799-N801 PolarHBondContact O-N 2.78Å; I799-N801 VanDerWaalsContact O-N 3.15Å; I799-G802 PolarHBondContact N-O 2.83Å; I799-G802 WeakPolarHBondContact O-CA 3.3Å; I799-G802 PolarHBondContact O-N 3.43Å; I799-L944 HydrophobicContact CD1-CD2 4.44Å; I799-L944 HydrophobicContact CG1-CD2 3.87Å; I799-Q955 HydrophobicContact CD1-CB 3.2Å; I799-Q955 HydrophobicContact CD1-CG 3.56Å; I799-Q955 HydrophobicContact CG1-CB 3.5Å; I799-Q955 HydrophobicContact CG1-CG 3.63Å; I799-D988 WeakPolarHBondContact CG2-O 3.22Å | |
| 800 | V | 49.8 | Very low | 62.8 | Low | 32 Ų | 32 | 45.8 Ų | 45.8 | 19% | 0.194 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 35 | 62.5 | -166.1 | -159.7 | 0 | 0 | 0 | 0 | 111 | L944 K986 K987 C1018 | V800-L944 PolarHBondContact N-O 3.07Å; V800-K986 CarbonylContact C-O 3.55Å; V800-K986 CarbonylContact O-C 3.58Å; V800-K986 VanDerWaalsContact O-C 3.31Å; V800-K987 VanDerWaalsContact O-CA 3.31Å; V800-K987 WeakPolarHBondContact O-CA 3.41Å; V800-C1018 HydrophobicContact CG2-CB 4.32Å |
| 801 | N | 61.9 | Low | 63.8 | Low | 101 Ų | 101 | 45.1 Ų | 45.1 | 54% | 0.54 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 8 | -169.8 | -52.6 | -47.5 | 0 | 0 | 0 | 119.6 | I799 K986 K987 | I799-N801 VanDerWaalsContact C-N 3.28Å; I799-N801 PolarHBondContact O-N 2.78Å; I799-N801 VanDerWaalsContact O-N 3.15Å; N801-K986 WeakPolarHBondContact CB-O 3.48Å; N801-K986 WeakPolarHBondContact ND2-CB 3.28Å; N801-K986 PolarHBondContact ND2-O 3.17Å; N801-K987 HydrophobicContact CB-CG 4.12Å |
| 802 | G | 67 | Low | 65.7 | Low | 2 Ų | 2 | 44.4 Ų | 44.4 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | trans | -71.5 | -174.9 | 157.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | E797 R798 I799 M956 | E797-G802 CarbonylContact C-O 3.53Å; E797-G802 VanDerWaalsContact O-O 3.1Å; R798-G802 CarbonylContact C-O 3.54Å; R798-G802 PolarHBondContact N-O 2.82Å; I799-G802 PolarHBondContact N-O 2.83Å; I799-G802 WeakPolarHBondContact O-CA 3.3Å; I799-G802 PolarHBondContact O-N 3.43Å; G802-M956 CarbonylContact C-O 3.5Å; G802-M956 VanDerWaalsContact CA-O 3.28Å; G802-M956 WeakPolarHBondContact CA-O 3.48Å | ||
| 803 | W | 79.7 | Confident | 67.7 | Low | 10 Ų | 10 | 38.3 Ų | 38.3 | 4% | 0.038 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 160.6 | -178.5 | 59.7 | 95.3 | 0 | 0 | 0 | 110.4 | E797 F937 M956 D958 | E797-W803 WeakPolarHBondContact O-CA 3.37Å; W803-F937 HydrophobicContact CH2-CD1 4.37Å; W803-F937 HydrophobicContact CH2-CE1 4.12Å; W803-F937 HydrophobicContact CZ2-CD1 4.3Å; W803-F937 HydrophobicContact CZ2-CE1 4.05Å; W803-M956 HydrophobicContact CD2-CG 4.42Å; W803-M956 HydrophobicContact CZ2-CE 3.98Å; W803-M956 HydrophobicContact CZ2-CG 4.2Å; W803-M956 HydrophobicContact CZ2-SD 4.28Å; W803-M956 PolarHBondContact N-O 2.83Å; W803-M956 WeakPolarHBondContact O-CG 3.42Å; W803-M956 PolarHBondContact O-N 2.77Å; W803-D958 HydrophobicContact CH2-CB 3.83Å; W803-D958 HydrophobicContact CZ3-CB 4.37Å; W803-D958 VanDerWaalsContact CZ3-OD1 3.23Å; W803-D958 WeakPolarHBondContact CZ3-OD1 3.43Å |
| 804 | E | 86.9 | Confident | 69.9 | Low | 5 Ų | 5 | 30.8 Ų | 30.8 | 2% | 0.023 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 143.5 | 178.6 | -174.6 | -160.3 | 135.6 | 0 | 0 | 111.5 | S445 F446 H871 L953 L954 Q955 | S445-E804 WeakPolarHBondContact CB-OE1 3.48Å; S445-E804 WeakPolarHBondContact OG-CG 3.3Å; S445-E804 PolarHBondContact OG-OE1 2.94Å; F446-E804 HydrophobicContact CB-CB 3.71Å; F446-E804 WeakPolarHBondContact CB-O 3.28Å; F446-E804 HydrophobicContact CD2-CB 3.33Å; F446-E804 HydrophobicContact CD2-CG 4.01Å; F446-E804 WeakPolarHBondContact CD2-OE2 3.27Å; F446-E804 HydrophobicContact CE2-CB 3.85Å; F446-E804 WeakPolarHBondContact CE2-OE2 3.1Å; F446-E804 HydrophobicContact CG-CB 3.8Å; F446-E804 PolarHBondContact N-O 3.38Å; E804-H871 IonicContact OE1-CD2 3.08Å; E804-H871 IonicContact OE1-CE1 3.96Å; E804-H871 IonicContact OE1-NE2 3.8Å; E804-H871 PolarHBondContact OE1-NE2 3.19Å; E804-L953 HydrophobicContact CG-CB 3.63Å; E804-L953 VanDerWaalsContact OE1-CB 3.3Å; E804-L953 WeakPolarHBondContact OE1-CB 3.26Å; E804-L953 WeakPolarHBondContact OE1-CD1 3.07Å; E804-L953 VanDerWaalsContact OE2-CB 3.31Å; E804-L953 WeakPolarHBondContact OE2-CB 3.41Å; E804-L953 WeakPolarHBondContact OE2-CD1 3.44Å; E804-L954 CarbonylContact C-O 3.54Å; E804-L954 WeakPolarHBondContact CA-O 3.2Å; E804-L954 WeakPolarHBondContact CG-O 3.21Å; E804-Q955 VanDerWaalsContact CB-NE2 3.33Å; E804-Q955 VanDerWaalsContact N-OE1 3.13Å |
| 805 | A | 86.8 | Confident | 72.7 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | P | Polyproline II helix | trans | -63.9 | 159.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S445 F446 L810 H871 L954 M956 | S445-A805 CarbonylContact C-O 3.57Å; S445-A805 VanDerWaalsContact C-O 3.3Å; S445-A805 PolarHBondContact OG-O 2.88Å; S445-A805 VanDerWaalsContact OG-O 3.09Å; F446-A805 PolarHBondContact N-O 3.33Å; A805-L810 HydrophobicContact CB-CD1 3.71Å; A805-L810 HydrophobicContact CB-CG 4.29Å; A805-H871 PolarHBondContact O-CE1 2.92Å; A805-L954 HydrophobicContact CB-CD2 4.18Å; A805-L954 HydrophobicContact CB-CG 4.04Å; A805-L954 PolarHBondContact N-O 3.49Å; A805-M956 HydrophobicContact CB-CG 4.29Å; A805-M956 HydrophobicContact CB-SD 4.19Å |
| 806 | R | 82.6 | Confident | 75.6 | Confident | 15 Ų | 15 | 27 Ų | 27 | 6% | 0.057 | 13% | 0.129 | C | C | . | . | P | Polyproline II helix | trans | -64.7 | 140.2 | 162 | 178.8 | -168.6 | -179.4 | 139.9 | 12.4 | 107.8 | S445 E455 A456 S789 L791 H808 S809 | S445-R806 WeakPolarHBondContact O-CA 3.4Å; E455-R806 PolarHBondContact O-NH1 3.14Å; E455-R806 PolarHBondContact O-NH2 3.13Å; A456-R806 PolarHBondContact O-NH1 2.99Å; S789-R806 WeakPolarHBondContact O-CD 3.48Å; S789-R806 PolarHBondContact OG-NH1 2.9Å; L791-R806 HydrophobicContact CD1-CB 4.29Å; L791-R806 HydrophobicContact CD1-CG 4.47Å; L791-R806 HydrophobicContact CG-CB 3.94Å; L791-R806 HydrophobicContact CG-CG 4.32Å; R806-H808 PolarHBondContact O-N 2.98Å; R806-S809 WeakPolarHBondContact CA-OG 2.99Å; R806-S809 WeakPolarHBondContact CB-OG 3.07Å; R806-S809 PolarHBondContact N-OG 3.12Å; R806-S809 WeakPolarHBondContact O-CB 3.33Å; R806-S809 PolarHBondContact O-N 2.83Å; R806-S809 PolarHBondContact O-OG 3.45Å |
| 807 | P | 84.1 | Confident | 78.4 | Confident | 10 Ų | 10 | 22 Ų | 22 | 7% | 0.065 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 132.5 | -169.3 | 24 | -32 | 0 | 0 | 0 | 111.1 | W443 F444 S445 S809 | W443-P807 WeakPolarHBondContact O-CB 3.44Å; F444-P807 VanDerWaalsContact C-CB 3.47Å; F444-P807 VanDerWaalsContact N-CB 3.29Å; F444-P807 WeakPolarHBondContact O-CA 3.11Å; F444-P807 WeakPolarHBondContact O-CB 3.28Å; F444-P807 WeakPolarHBondContact O-CD 3.23Å; F444-P807 WeakPolarHBondContact O-CG 3.22Å; S445-P807 WeakPolarHBondContact O-CD 3.37Å; P807-S809 PolarHBondContact O-N 3.14Å |
| 808 | H | 86.1 | Confident | 81.4 | Confident | 6 Ų | 6 | 18.8 Ų | 18.8 | 3% | 0.028 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 12.7 | -175.6 | -37 | -80.3 | 0 | 0 | 0 | 114.3 | L442 W443 F788 R806 L810 P811 G869 E878 I879 Y917 | L442-H808 PolarHBondContact O-CD2 3.01Å; L442-H808 PolarHBondContact O-NE2 3.17Å; W443-H808 AromaticContact CD1-NE2 3.95Å; W443-H808 PolarHBondContact N-NE2 2.69Å; F788-H808 HydrophobicContact CD2-CB 3.7Å; F788-H808 HydrophobicContact CE2-CB 3.68Å; R806-H808 PolarHBondContact O-N 2.98Å; H808-L810 PolarHBondContact O-N 3.33Å; H808-P811 WeakPolarHBondContact O-CD 3.22Å; H808-G869 PolarHBondContact ND1-O 2.82Å; H808-E878 IonicContact CE1-OE1 3.48Å; H808-E878 PolarHBondContact CE1-OE1 2.82Å; H808-E878 IonicContact ND1-OE1 2.75Å; H808-E878 IonicContact NE2-OE1 3.74Å; H808-I879 PolarHBondContact CE1-O 3.23Å; H808-I879 VanDerWaalsContact CE1-O 3.29Å; H808-Y917 HydrophobicContact CB-CD1 3.84Å; H808-Y917 AromaticContact CD2-CD1 3.66Å; H808-Y917 AromaticContact CD2-CE1 3.74Å; H808-Y917 AromaticContact CE1-CD1 3.83Å; H808-Y917 AromaticContact CG-CD1 3.47Å; H808-Y917 VanDerWaalsContact CG-CD1 3.47Å; H808-Y917 AromaticContact ND1-CD1 3.58Å; H808-Y917 AromaticContact NE2-CD1 3.9Å; H808-Y917 AromaticContact NE2-CE1 3.85Å |
| 809 | S | 89 | Confident | 84.5 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -72.4 | -11.8 | 177.2 | 69.7 | 0 | 0 | 0 | 0 | 113.6 | P786 F788 V790 R806 P807 P811 | P786-S809 WeakPolarHBondContact CB-O 3.18Å; F788-S809 WeakPolarHBondContact O-CA 3.42Å; F788-S809 VanDerWaalsContact O-CB 3.3Å; F788-S809 WeakPolarHBondContact O-CB 3.45Å; V790-S809 WeakPolarHBondContact CG2-O 3.47Å; R806-S809 WeakPolarHBondContact CA-OG 2.99Å; R806-S809 WeakPolarHBondContact CB-OG 3.07Å; R806-S809 PolarHBondContact N-OG 3.12Å; R806-S809 WeakPolarHBondContact O-CB 3.33Å; R806-S809 PolarHBondContact O-N 2.83Å; R806-S809 PolarHBondContact O-OG 3.45Å; P807-S809 PolarHBondContact O-N 3.14Å; S809-P811 VanDerWaalsContact O-CD 3.24Å; S809-P811 WeakPolarHBondContact O-CD 3.34Å |
| 810 | L | 93.4 | Very high | 86.4 | Confident | 6 Ų | 6 | 17.4 Ų | 17.4 | 3% | 0.031 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -116.6 | 61.2 | 175.7 | -56 | 177.2 | 0 | 0 | 0 | 109.5 | V790 A805 H808 W812 Q813 S939 L954 M956 | V790-L810 HydrophobicContact CG1-CD2 4.24Å; V790-L810 HydrophobicContact CG2-CD2 3.67Å; A805-L810 HydrophobicContact CB-CD1 3.71Å; A805-L810 HydrophobicContact CB-CG 4.29Å; H808-L810 PolarHBondContact O-N 3.33Å; L810-W812 HydrophobicContact CD2-CZ2 3.84Å; L810-W812 PolarHBondContact O-N 3.41Å; L810-Q813 HydrophobicContact CB-CB 4.37Å; L810-Q813 WeakPolarHBondContact O-CB 3.04Å; L810-Q813 PolarHBondContact O-N 3.08Å; L810-S939 VanDerWaalsContact CD1-CB 3.45Å; L810-L954 HydrophobicContact CB-CD2 4.38Å; L810-L954 HydrophobicContact CD1-CD2 4.43Å; L810-M956 HydrophobicContact CD1-CB 4.19Å; L810-M956 HydrophobicContact CD1-SD 4.33Å |
| 811 | P | 94 | Very high | 88.1 | Confident | 3 Ų | 3 | 21.3 Ų | 21.3 | 2% | 0.019 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -4.4 | -168.5 | 32.7 | -39.7 | 0 | 0 | 0 | 114 | P786 H808 S809 Y917 A918 R919 | P786-P811 HydrophobicContact CB-CG 3.97Å; H808-P811 WeakPolarHBondContact O-CD 3.22Å; S809-P811 VanDerWaalsContact O-CD 3.24Å; S809-P811 WeakPolarHBondContact O-CD 3.34Å; P811-Y917 VanDerWaalsContact CA-O 3.3Å; P811-Y917 WeakPolarHBondContact CA-O 3.43Å; P811-Y917 VanDerWaalsContact CB-O 3.24Å; P811-Y917 WeakPolarHBondContact CB-O 3.34Å; P811-A918 VanDerWaalsContact O-CA 3.3Å; P811-A918 WeakPolarHBondContact O-CA 3.07Å; P811-R919 CarbonylContact C-O 3.55Å; P811-R919 HydrophobicContact CB-CB 4.15Å; P811-R919 HydrophobicContact CB-CG 4.33Å; P811-R919 HydrophobicContact CG-CB 3.93Å; P811-R919 HydrophobicContact CG-CG 4.26Å; P811-R919 PolarHBondContact O-N 3.27Å |
| 812 | W | 96.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -20.4 | 169.9 | 44.4 | 77.8 | 0 | 0 | 0 | 113.1 | P786 L810 V814 S831 L832 R919 V921 V999 Y1006 | P786-W812 HydrophobicContact CB-CH2 4.2Å; P786-W812 HydrophobicContact CB-CZ3 4.18Å; P786-W812 HydrophobicContact CG-CH2 4.12Å; P786-W812 HydrophobicContact CG-CZ3 4.41Å; L810-W812 HydrophobicContact CD2-CZ2 3.84Å; L810-W812 PolarHBondContact O-N 3.41Å; W812-V814 PolarHBondContact O-N 2.83Å; W812-S831 CarbonylContact O-C 3.49Å; W812-S831 VanDerWaalsContact O-CA 3.26Å; W812-S831 WeakPolarHBondContact O-CA 3.49Å; W812-L832 PolarHBondContact O-N 3.13Å; W812-R919 WeakPolarHBondContact CA-O 3.07Å; W812-R919 WeakPolarHBondContact CB-O 3.35Å; W812-R919 PolarHBondContact N-O 3.13Å; W812-V921 HydrophobicContact CB-CB 3.82Å; W812-V921 HydrophobicContact CB-CG1 4.36Å; W812-V921 HydrophobicContact CD2-CB 3.91Å; W812-V921 HydrophobicContact CD2-CG2 4.17Å; W812-V921 HydrophobicContact CE3-CB 4.24Å; W812-V921 HydrophobicContact CG-CB 3.7Å; W812-V921 HydrophobicContact CG-CG2 4.32Å; W812-V999 HydrophobicContact CZ2-CG2 4.46Å; W812-Y1006 AromaticContact CH2-CD2 3.63Å; W812-Y1006 HydrophobicContact CH2-CD2 3.63Å; W812-Y1006 HydrophobicContact CH2-CE2 4.45Å; W812-Y1006 AromaticContact CH2-CG 3.68Å; W812-Y1006 HydrophobicContact CH2-CG 3.68Å; W812-Y1006 HydrophobicContact CZ2-CD1 4.34Å; W812-Y1006 HydrophobicContact CZ2-CD2 4.23Å; W812-Y1006 AromaticContact CZ2-CG 3.89Å; W812-Y1006 HydrophobicContact CZ2-CG 3.89Å |
| 813 | Q | 96.7 | Very high | 90 | Very high | 3 Ų | 3 | 23.2 Ų | 23.2 | 1% | 0.014 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 133.6 | -179.7 | -177.3 | 72.7 | 48.7 | 0 | 0 | 110.5 | L810 G830 S939 W941 L954 S996 | L810-Q813 HydrophobicContact CB-CB 4.37Å; L810-Q813 WeakPolarHBondContact O-CB 3.04Å; L810-Q813 PolarHBondContact O-N 3.08Å; Q813-G830 PolarHBondContact NE2-O 3.07Å; Q813-S939 PolarHBondContact OE1-O 3.33Å; Q813-S939 VanDerWaalsContact OE1-O 3.04Å; Q813-S939 PolarHBondContact OE1-OG 2.74Å; Q813-W941 HydrophobicContact CG-CH2 3.93Å; Q813-W941 HydrophobicContact CG-CZ3 3.69Å; Q813-L954 HydrophobicContact CB-CD2 4.31Å; Q813-L954 HydrophobicContact CG-CD1 3.84Å; Q813-L954 HydrophobicContact CG-CD2 4.18Å; Q813-S996 PolarHBondContact NE2-OG 2.85Å |
| 814 | V | 96.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 158.1 | 166.1 | -51.1 | 0 | 0 | 0 | 0 | 110.9 | W812 V816 G830 L832 V845 I866 L867 A868 | W812-V814 PolarHBondContact O-N 2.83Å; V814-V816 HydrophobicContact CG2-CG2 4.24Å; V814-G830 PolarHBondContact N-O 3.11Å; V814-G830 PolarHBondContact O-N 2.93Å; V814-L832 HydrophobicContact CG1-CD2 3.73Å; V814-L832 HydrophobicContact CG1-CG 3.82Å; V814-V845 HydrophobicContact CG2-CG1 3.58Å; V814-I866 HydrophobicContact CB-CG2 3.83Å; V814-I866 HydrophobicContact CG1-CG2 4.1Å; V814-I866 HydrophobicContact CG2-CG2 3.87Å; V814-L867 CarbonylContact C-O 3.58Å; V814-L867 VanDerWaalsContact CA-O 3.29Å; V814-L867 WeakPolarHBondContact CA-O 3.38Å; V814-L867 WeakPolarHBondContact CB-O 3.21Å; V814-A868 HydrophobicContact CG1-CB 3.69Å |
| 815 | R | 95.7 | Very high | 90.5 | Very high | 40 Ų | 40 | 33.2 Ų | 33.2 | 15% | 0.151 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 131.1 | 164.8 | 178.6 | 176.1 | 170.9 | -160.5 | -6.2 | 108.6 | E825 L827 I866 L867 W941 | R815-E825 IonicContact NH2-OE2 3.75Å; R815-L827 VanDerWaalsContact NH2-CD1 3.35Å; R815-I866 WeakPolarHBondContact O-CA 3.34Å; R815-L867 HydrophobicContact CB-CB 4.33Å; R815-L867 PolarHBondContact N-O 2.76Å; R815-L867 PolarHBondContact O-N 2.98Å; R815-W941 HydrophobicContact CB-CE3 3.96Å; R815-W941 HydrophobicContact CB-CH2 4.49Å; R815-W941 HydrophobicContact CB-CZ3 3.76Å |
| 816 | V | 96.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 115 | 175.3 | -173 | 0 | 0 | 0 | 0 | 107.5 | V814 I818 C828 G829 V864 I866 | V814-V816 HydrophobicContact CG2-CG2 4.24Å; V816-I818 HydrophobicContact CG1-CD1 3.87Å; V816-I818 HydrophobicContact CG1-CG1 4.44Å; V816-C828 HydrophobicContact CB-CB 4.1Å; V816-C828 PolarHBondContact N-O 3.03Å; V816-C828 PolarHBondContact O-N 2.94Å; V816-G829 WeakPolarHBondContact CG2-O 3.45Å; V816-V864 HydrophobicContact CG1-CG1 3.78Å; V816-I866 HydrophobicContact CB-CD1 4.21Å; V816-I866 HydrophobicContact CG1-CD1 3.92Å; V816-I866 HydrophobicContact CG2-CD1 3.8Å |
| 817 | T | 94.7 | Very high | 91.1 | Very high | 15 Ų | 15 | 37.9 Ų | 37.9 | 9% | 0.092 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 123.9 | 176.7 | -66.9 | 0 | 0 | 0 | 0 | 108.9 | E825 L827 V864 K865 | T817-E825 HydrophobicContact CG2-CB 4.01Å; T817-E825 HydrophobicContact CG2-CG 3.83Å; T817-E825 WeakPolarHBondContact CG2-OE1 3.31Å; T817-E825 WeakPolarHBondContact CG2-OE2 3.48Å; T817-L827 HydrophobicContact CG2-CD2 4.15Å; T817-V864 WeakPolarHBondContact O-CA 3.19Å; T817-K865 PolarHBondContact N-O 2.84Å; T817-K865 PolarHBondContact O-N 2.85Å |
| 818 | I | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 115.4 | 177.2 | -56.5 | 91.2 | 0 | 0 | 0 | 108.5 | V816 Q820 K826 C828 C851 L852 V854 M859 N863 V864 | V816-I818 HydrophobicContact CG1-CD1 3.87Å; V816-I818 HydrophobicContact CG1-CG1 4.44Å; I818-Q820 PolarHBondContact O-N 3.09Å; I818-K826 HydrophobicContact CB-CB 4.32Å; I818-K826 PolarHBondContact N-O 3.23Å; I818-K826 PolarHBondContact O-N 3.37Å; I818-C828 HydrophobicContact CD1-CB 4.4Å; I818-C851 HydrophobicContact CD1-CB 4.25Å; I818-L852 HydrophobicContact CG1-CD2 4.34Å; I818-V854 HydrophobicContact CG2-CG2 4.37Å; I818-M859 HydrophobicContact CG2-CB 3.96Å; I818-M859 HydrophobicContact CG2-CE 4.41Å; I818-M859 HydrophobicContact CG2-CG 3.73Å; I818-N863 WeakPolarHBondContact CA-O 3.26Å; I818-V864 HydrophobicContact CG1-CG1 4.45Å; I818-V864 HydrophobicContact CG1-CG2 4.45Å |
| 819 | L | 92.1 | Very high | 92.1 | Very high | 72 Ų | 72 | 37.4 Ų | 37.4 | 38% | 0.377 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 109.3 | 175.3 | -178.3 | 64.7 | 0 | 0 | 0 | 109.8 | M859 N863 | L819-M859 WeakPolarHBondContact O-CE 3.28Å; L819-N863 HydrophobicContact CB-CB 4.44Å; L819-N863 PolarHBondContact N-O 2.85Å; L819-N863 PolarHBondContact O-ND2 2.99Å |
| 820 | Q | 89.7 | Confident | 92.5 | Very high | 46 Ų | 46 | 37.4 Ų | 37.4 | 22% | 0.215 | 20% | 0.204 | C | C | . | . | trans | -76.9 | 160.7 | -178.4 | -62.2 | 175.6 | 103.8 | 0 | 0 | 111.8 | I818 D822 G823 K824 K826 V854 | I818-Q820 PolarHBondContact O-N 3.09Å; Q820-D822 VanDerWaalsContact CB-OD1 3.3Å; Q820-D822 WeakPolarHBondContact CB-OD1 3.06Å; Q820-D822 PolarHBondContact O-N 3.25Å; Q820-D822 VanDerWaalsContact O-N 3.14Å; Q820-G823 PolarHBondContact O-N 2.58Å; Q820-K824 WeakPolarHBondContact CB-O 3.33Å; Q820-K824 WeakPolarHBondContact CG-O 3.38Å; Q820-K824 PolarHBondContact N-O 2.84Å; Q820-K824 PolarHBondContact NE2-O 3.26Å; Q820-K824 VanDerWaalsContact NE2-O 3.13Å; Q820-K826 HydrophobicContact CG-CB 4.14Å; Q820-V854 HydrophobicContact CB-CG1 4.41Å; Q820-V854 HydrophobicContact CG-CG1 4Å; Q820-V854 HydrophobicContact CG-CG2 4.11Å | ||
| 821 | P | 85.5 | Confident | 92.7 | Very high | 114 Ų | 114 | 37.1 Ų | 37.1 | 74% | 0.74 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | -21.3 | -179.1 | -24.4 | 35.8 | 0 | 0 | 0 | 115 | G823 M859 | P821-G823 VanDerWaalsContact C-N 3.27Å; P821-M859 HydrophobicContact CG-CE 4.33Å; P821-M859 HydrophobicContact CG-SD 4.47Å |
| 822 | D | 87.1 | Confident | 92.8 | Very high | 90 Ų | 90 | 37 Ų | 37 | 48% | 0.481 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 8.6 | 176 | 72.5 | -17.5 | 0 | 0 | 0 | 113.6 | Q820 K824 | Q820-D822 VanDerWaalsContact CB-OD1 3.3Å; Q820-D822 WeakPolarHBondContact CB-OD1 3.06Å; Q820-D822 PolarHBondContact O-N 3.25Å; Q820-D822 VanDerWaalsContact O-N 3.14Å; D822-K824 VanDerWaalsContact C-N 3.27Å; D822-K824 PolarHBondContact O-N 3.2Å; D822-K824 WeakPolarHBondContact OD1-CB 3Å; D822-K824 PolarHBondContact OD1-N 3.43Å; D822-K824 WeakPolarHBondContact OD2-CD 3.44Å; D822-K824 WeakPolarHBondContact OD2-CG 3.2Å; D822-K824 IonicContact OD2-NZ 2.6Å; D822-K824 PolarHBondContact OD2-NZ 3.29Å |
| 823 | G | 82.9 | Confident | 92.7 | Very high | 53 Ų | 53 | 37 Ų | 37 | 55% | 0.546 | 20% | 0.201 | S | C | . | . | S | Bend | trans | 79.2 | -3.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115 | Q820 P821 | Q820-G823 PolarHBondContact O-N 2.58Å; P821-G823 VanDerWaalsContact C-N 3.27Å |
| 824 | K | 86.8 | Confident | 92.3 | Very high | 132 Ų | 132 | 38.9 Ų | 38.9 | 57% | 0.574 | 21% | 0.21 | S | C | * | . | P | Polyproline II helix | trans | -81.7 | 138.2 | 179 | -60.7 | -170.2 | -168 | 92 | 0 | 111.6 | Q820 D822 | Q820-K824 WeakPolarHBondContact CB-O 3.33Å; Q820-K824 WeakPolarHBondContact CG-O 3.38Å; Q820-K824 PolarHBondContact N-O 2.84Å; Q820-K824 PolarHBondContact NE2-O 3.26Å; Q820-K824 VanDerWaalsContact NE2-O 3.13Å; D822-K824 VanDerWaalsContact C-N 3.27Å; D822-K824 PolarHBondContact O-N 3.2Å; D822-K824 WeakPolarHBondContact OD1-CB 3Å; D822-K824 PolarHBondContact OD1-N 3.43Å; D822-K824 WeakPolarHBondContact OD2-CD 3.44Å; D822-K824 WeakPolarHBondContact OD2-CG 3.2Å; D822-K824 IonicContact OD2-NZ 2.6Å; D822-K824 PolarHBondContact OD2-NZ 3.29Å |
| 825 | E | 88.8 | Confident | 91.9 | Very high | 92 Ų | 92 | 39.9 Ų | 39.9 | 43% | 0.43 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 124.7 | 171 | -65 | -165.1 | 158.6 | 0 | 0 | 111.7 | R815 T817 L827 | R815-E825 IonicContact NH2-OE2 3.75Å; T817-E825 HydrophobicContact CG2-CB 4.01Å; T817-E825 HydrophobicContact CG2-CG 3.83Å; T817-E825 WeakPolarHBondContact CG2-OE1 3.31Å; T817-E825 WeakPolarHBondContact CG2-OE2 3.48Å; E825-L827 HydrophobicContact CB-CD2 4.07Å |
| 826 | K | 90.2 | Very high | 90.8 | Very high | 49 Ų | 49 | 40 Ų | 40 | 21% | 0.213 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 129.2 | 164 | 175.9 | -178.2 | 176.6 | -165.4 | 0 | 108.6 | I818 Q820 H850 C851 L853 V854 | I818-K826 HydrophobicContact CB-CB 4.32Å; I818-K826 PolarHBondContact N-O 3.23Å; I818-K826 PolarHBondContact O-N 3.37Å; Q820-K826 HydrophobicContact CG-CB 4.14Å; K826-H850 PolarHBondContact NZ-O 3.35Å; K826-C851 WeakPolarHBondContact CE-O 3.24Å; K826-C851 PolarHBondContact NZ-O 2.76Å; K826-L853 PolarHBondContact NZ-O 3.19Å; K826-V854 HydrophobicContact CD-CG2 4.22Å |
| 827 | L | 92.3 | Very high | 89.3 | Confident | 64 Ų | 64 | 43 Ų | 43 | 34% | 0.335 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 135.3 | -174.6 | -52.6 | -175.4 | 0 | 0 | 0 | 110.9 | R815 T817 E825 | R815-L827 VanDerWaalsContact NH2-CD1 3.35Å; T817-L827 HydrophobicContact CG2-CD2 4.15Å; E825-L827 HydrophobicContact CB-CD2 4.07Å |
| 828 | C | 95.7 | Very high | 87.5 | Confident | 5 Ų | 5 | 49.5 Ų | 49.5 | 3% | 0.034 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 164.9 | 175.2 | -81.7 | 0 | 0 | 0 | 0 | 110.7 | V816 I818 C851 S994 | V816-C828 HydrophobicContact CB-CB 4.1Å; V816-C828 PolarHBondContact N-O 3.03Å; V816-C828 PolarHBondContact O-N 2.94Å; I818-C828 HydrophobicContact CD1-CB 4.4Å; C828-C851 HydrophobicContact CB-CB 3.79Å; C828-C851 WeakPolarHBondContact CB-SG 3.37Å; C828-C851 WeakPolarHBondContact SG-CB 3.5Å; C828-C851 CovalentContact SG-SG 2.03Å; C828-C851 PolarHBondContact SG-SG 2.89Å; C828-S994 CarbonylContact C-O 3.52Å; C828-S994 VanDerWaalsContact CA-O 3.31Å; C828-S994 WeakPolarHBondContact CA-O 3.45Å; C828-S994 WeakPolarHBondContact CB-O 3.39Å; C828-S994 PolarHBondContact SG-O 3.35Å |
| 829 | G | 95.7 | Very high | 86.3 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 172.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V816 T847 S994 G995 S996 | V816-G829 WeakPolarHBondContact CG2-O 3.45Å; G829-T847 PolarHBondContact O-OG1 3.02Å; G829-S994 PolarHBondContact N-O 2.96Å; G829-G995 CarbonylContact C-O 3.48Å; G829-G995 CarbonylContact O-C 3.49Å; G829-G995 VanDerWaalsContact O-C 3.32Å; G829-S996 WeakPolarHBondContact CA-OG 3.46Å |
| 830 | G | 97.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.4 | -178.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111 | Q813 V814 L846 G995 | Q813-G830 PolarHBondContact NE2-O 3.07Å; V814-G830 PolarHBondContact N-O 3.11Å; V814-G830 PolarHBondContact O-N 2.93Å; G830-L846 CarbonylContact C-O 3.49Å; G830-L846 VanDerWaalsContact CA-O 3.26Å; G830-L846 WeakPolarHBondContact CA-O 3.32Å; G830-G995 WeakPolarHBondContact CA-O 3.38Å |
| 831 | S | 97.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 130.4 | -173.2 | 33.5 | 0 | 0 | 0 | 0 | 112.6 | W812 V845 L846 Q1008 | W812-S831 CarbonylContact O-C 3.49Å; W812-S831 VanDerWaalsContact O-CA 3.26Å; W812-S831 WeakPolarHBondContact O-CA 3.49Å; S831-V845 CarbonylContact O-C 3.5Å; S831-V845 VanDerWaalsContact O-CA 3.3Å; S831-V845 WeakPolarHBondContact O-CA 3.33Å; S831-L846 PolarHBondContact N-O 3.24Å; S831-L846 PolarHBondContact O-N 3.27Å; S831-L846 PolarHBondContact OG-O 3.32Å; S831-Q1008 VanDerWaalsContact CB-OE1 3.32Å; S831-Q1008 PolarHBondContact OG-NE2 2.95Å; S831-Q1008 PolarHBondContact OG-OE1 3.01Å |
| 832 | L | 95.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 128.1 | 167 | -60.5 | -177.7 | 0 | 0 | 0 | 109 | W812 V814 T842 V845 I912 A918 P920 V921 | W812-L832 PolarHBondContact O-N 3.13Å; V814-L832 HydrophobicContact CG1-CD2 3.73Å; V814-L832 HydrophobicContact CG1-CG 3.82Å; L832-T842 HydrophobicContact CB-CG2 4.31Å; L832-T842 HydrophobicContact CD2-CG2 4.23Å; L832-V845 HydrophobicContact CD2-CG2 3.97Å; L832-I912 HydrophobicContact CD1-CG2 4.31Å; L832-I912 HydrophobicContact CD2-CD1 3.71Å; L832-A918 HydrophobicContact CD1-CB 3.94Å; L832-P920 CarbonylContact O-C 3.57Å; L832-P920 VanDerWaalsContact O-CA 3.28Å; L832-P920 WeakPolarHBondContact O-CA 3.49Å; L832-V921 PolarHBondContact O-N 3.06Å |
| 833 | V | 94.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 158.1 | 179.5 | -62 | 0 | 0 | 0 | 0 | 110.7 | L835 T842 F844 L846 L905 V921 L923 | V833-L835 HydrophobicContact CG2-CD1 3.97Å; V833-L835 HydrophobicContact CG2-CG 4.2Å; V833-T842 WeakPolarHBondContact O-CB 3.44Å; V833-T842 PolarHBondContact O-OG1 2.04Å; V833-F844 HydrophobicContact CG2-CB 3.69Å; V833-F844 PolarHBondContact N-O 2.93Å; V833-L846 HydrophobicContact CG1-CB 3.86Å; V833-L846 HydrophobicContact CG1-CD2 4.23Å; V833-L846 HydrophobicContact CG2-CB 4.3Å; V833-L905 HydrophobicContact CG2-CD1 4.43Å; V833-V921 HydrophobicContact CG1-CG1 4.19Å; V833-L923 HydrophobicContact CB-CD1 4.21Å; V833-L923 HydrophobicContact CG1-CD1 4.42Å; V833-L923 HydrophobicContact CG1-CD2 3.93Å; V833-L923 HydrophobicContact CG1-CG 4.38Å |
| 834 | Q | 88.7 | Confident | 86.2 | Confident | 43 Ų | 43 | 37.7 Ų | 37.7 | 20% | 0.201 | 21% | 0.208 | C | C | . | . | trans | -119.3 | 106.2 | 176.7 | -175.4 | 174.1 | 2.7 | 0 | 0 | 109 | G837 Y914 P920 | Q834-G837 PolarHBondContact NE2-O 2.83Å; Q834-Y914 WeakPolarHBondContact CG-OH 3.27Å; Q834-Y914 PolarHBondContact OE1-OH 3.22Å; Q834-P920 HydrophobicContact CB-CB 3.79Å; Q834-P920 HydrophobicContact CB-CG 3.94Å | ||
| 835 | L | 87 | Confident | 86.6 | Confident | 20 Ų | 20 | 31.4 Ų | 31.4 | 11% | 0.105 | 18% | 0.181 | C | C | . | . | trans | -106.9 | -13.6 | -175.9 | -71.6 | 164.6 | 0 | 0 | 0 | 113.6 | V833 F844 L905 L923 M1037 Q1038 A1041 | V833-L835 HydrophobicContact CG2-CD1 3.97Å; V833-L835 HydrophobicContact CG2-CG 4.2Å; L835-F844 HydrophobicContact CB-CD2 4.18Å; L835-F844 HydrophobicContact CB-CE2 4.35Å; L835-F844 HydrophobicContact CD1-CB 4.3Å; L835-F844 HydrophobicContact CD1-CD1 4.4Å; L835-F844 HydrophobicContact CD1-CG 4.17Å; L835-L905 HydrophobicContact CD1-CD1 3.62Å; L835-L905 HydrophobicContact CD1-CD2 3.85Å; L835-L905 HydrophobicContact CD1-CG 4.41Å; L835-L923 HydrophobicContact CD2-CD1 3.48Å; L835-L923 VanDerWaalsContact CD2-CD1 3.48Å; L835-L923 HydrophobicContact CG-CD1 4.22Å; L835-M1037 HydrophobicContact CD1-CB 4.02Å; L835-M1037 HydrophobicContact CD2-CB 3.77Å; L835-Q1038 HydrophobicContact CD2-CG 4.25Å; L835-A1041 HydrophobicContact CB-CB 3.55Å; L835-A1041 HydrophobicContact CD1-CB 3.85Å; L835-A1041 HydrophobicContact CG-CB 4.29Å | ||
| 836 | T | 73.7 | Confident | 87 | Confident | 43 Ų | 43 | 27 Ų | 27 | 26% | 0.264 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -134.2 | 106.8 | -175.3 | 62.9 | 0 | 0 | 0 | 0 | 112.2 | F844 A1041 N1045 | T836-F844 HydrophobicContact CG2-CE2 4.02Å; T836-F844 HydrophobicContact CG2-CZ 4.35Å; T836-A1041 HydrophobicContact CG2-CB 4.14Å; T836-N1045 PolarHBondContact OG1-ND2 2.9Å |
| 837 | G | 64.8 | Low | 87.4 | Confident | 64 Ų | 64 | 24.7 Ų | 24.7 | 66% | 0.66 | 15% | 0.15 | S | C | * | . | S | Bend | trans | 63.2 | 174 | 170 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q834 S839 | Q834-G837 PolarHBondContact NE2-O 2.83Å; G837-S839 PolarHBondContact O-N 2.8Å |
| 838 | L | 56.6 | Low | 87.6 | Confident | 150 Ų | 150 | 21.6 Ų | 21.6 | 79% | 0.785 | 14% | 0.135 | S | C | * | . | S | Bend | trans | -74.9 | 110.8 | 165.9 | -71.6 | 171.7 | 0 | 0 | 0 | 108.7 | Y780 | Y780-L838 HydrophobicContact CD1-CB 4.38Å; Y780-L838 HydrophobicContact CE1-CB 3.93Å |
| 839 | S | 70.1 | Confident | 87.7 | Confident | 23 Ų | 23 | 21.4 Ų | 21.4 | 16% | 0.161 | 13% | 0.133 | C | C | . | . | trans | -129.6 | 156.7 | -178.1 | -179.8 | 0 | 0 | 0 | 0 | 108.8 | G837 A841 Y914 | G837-S839 PolarHBondContact O-N 2.8Å; S839-A841 VanDerWaalsContact C-N 3.35Å; S839-A841 WeakPolarHBondContact CB-O 2.96Å; S839-A841 PolarHBondContact OG-N 3.48Å; S839-A841 PolarHBondContact OG-O 3.39Å; S839-Y914 WeakPolarHBondContact O-CE2 3.4Å | ||
| 840 | N | 79.2 | Confident | 87.6 | Confident | 73 Ų | 73 | 23 Ų | 23 | 39% | 0.39 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -97 | 13.3 | 171 | 64 | 3 | 0 | 0 | 0 | 112.2 | N778 Y914 | N778-N840 PolarHBondContact OD1-ND2 2.03Å; N840-Y914 VanDerWaalsContact C-CD2 3.44Å; N840-Y914 WeakPolarHBondContact O-CB 3.18Å; N840-Y914 PolarHBondContact O-N 3.04Å |
| 841 | A | 83 | Confident | 87.5 | Confident | 9 Ų | 9 | 23 Ų | 23 | 7% | 0.074 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 156.9 | -177 | 0 | 0 | 0 | 0 | 0 | 111.5 | S839 R911 I912 Y914 | S839-A841 VanDerWaalsContact C-N 3.35Å; S839-A841 WeakPolarHBondContact CB-O 2.96Å; S839-A841 PolarHBondContact OG-N 3.48Å; S839-A841 PolarHBondContact OG-O 3.39Å; A841-R911 HydrophobicContact CB-CB 4.04Å; A841-I912 CarbonylContact C-O 3.45Å; A841-I912 WeakPolarHBondContact CA-O 3.26Å; A841-I912 WeakPolarHBondContact CB-O 3.43Å; A841-Y914 VanDerWaalsContact C-CZ 3.49Å; A841-Y914 PolarHBondContact O-OH 2.71Å |
| 842 | T | 88.3 | Confident | 87.4 | Confident | 7 Ų | 7 | 23 Ų | 23 | 4% | 0.043 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 156.2 | 172.4 | -166.5 | 0 | 0 | 0 | 0 | 113.3 | L832 V833 F844 R911 I912 Y914 | L832-T842 HydrophobicContact CB-CG2 4.31Å; L832-T842 HydrophobicContact CD2-CG2 4.23Å; V833-T842 WeakPolarHBondContact O-CB 3.44Å; V833-T842 PolarHBondContact O-OG1 2.04Å; T842-F844 PolarHBondContact OG1-N 3.27Å; T842-R911 CarbonylContact O-C 3.51Å; T842-R911 WeakPolarHBondContact O-CA 3.33Å; T842-I912 PolarHBondContact N-O 2.91Å; T842-I912 PolarHBondContact O-N 2.9Å; T842-Y914 HydrophobicContact CG2-CE1 3.95Å; T842-Y914 VanDerWaalsContact N-CE1 3.32Å |
| 843 | V | 89.8 | Confident | 87.3 | Confident | 13 Ų | 13 | 24.5 Ų | 24.5 | 8% | 0.079 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 0.1 | 166.3 | -62 | 0 | 0 | 0 | 0 | 112.5 | V907 L908 R911 | V843-V907 HydrophobicContact CB-CG1 4.46Å; V843-V907 HydrophobicContact CG2-CG1 4.37Å; V843-V907 WeakPolarHBondContact O-CA 3.26Å; V843-L908 WeakPolarHBondContact O-CG 3.31Å; V843-L908 PolarHBondContact O-N 2.76Å; V843-R911 HydrophobicContact CG1-CB 4.31Å; V843-R911 HydrophobicContact CG1-CG 3.63Å |
| 844 | F | 93.8 | Very high | 87 | Confident | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.009 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 127.6 | -167.1 | -62.5 | -68.7 | 0 | 0 | 0 | 112.2 | V833 L835 T836 T842 L905 L906 V907 A1041 | V833-F844 HydrophobicContact CG2-CB 3.69Å; V833-F844 PolarHBondContact N-O 2.93Å; L835-F844 HydrophobicContact CB-CD2 4.18Å; L835-F844 HydrophobicContact CB-CE2 4.35Å; L835-F844 HydrophobicContact CD1-CB 4.3Å; L835-F844 HydrophobicContact CD1-CD1 4.4Å; L835-F844 HydrophobicContact CD1-CG 4.17Å; T836-F844 HydrophobicContact CG2-CE2 4.02Å; T836-F844 HydrophobicContact CG2-CZ 4.35Å; T842-F844 PolarHBondContact OG1-N 3.27Å; F844-L905 HydrophobicContact CB-CD1 4.08Å; F844-L905 HydrophobicContact CD1-CD1 4.01Å; F844-L905 HydrophobicContact CD1-CD2 4.22Å; F844-L905 HydrophobicContact CD1-CG 4.2Å; F844-L905 HydrophobicContact CG-CD1 4.42Å; F844-L906 WeakPolarHBondContact CA-O 3.26Å; F844-V907 HydrophobicContact CD1-CG2 4.35Å; F844-V907 HydrophobicContact CE1-CG2 4.14Å; F844-A1041 HydrophobicContact CD1-CB 4.34Å; F844-A1041 HydrophobicContact CE1-CB 3.68Å; F844-A1041 HydrophobicContact CE2-CB 4.05Å; F844-A1041 HydrophobicContact CZ-CB 3.51Å |
| 845 | V | 96 | Very high | 86.7 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 130.2 | 169.6 | 179.1 | 0 | 0 | 0 | 0 | 109.7 | V814 S831 L832 I866 L906 L908 | V814-V845 HydrophobicContact CG2-CG1 3.58Å; S831-V845 CarbonylContact O-C 3.5Å; S831-V845 VanDerWaalsContact O-CA 3.3Å; S831-V845 WeakPolarHBondContact O-CA 3.33Å; L832-V845 HydrophobicContact CD2-CG2 3.97Å; V845-I866 HydrophobicContact CG2-CG2 4.29Å; V845-L906 HydrophobicContact CB-CB 4.1Å; V845-L906 HydrophobicContact CB-CD1 4Å; V845-L906 HydrophobicContact CG1-CD1 3.85Å; V845-L906 PolarHBondContact N-O 2.97Å; V845-L906 WeakPolarHBondContact O-CB 3.31Å; V845-L906 PolarHBondContact O-N 3.45Å; V845-L908 HydrophobicContact CG2-CD1 4.04Å; V845-L908 HydrophobicContact CG2-CD2 3.95Å; V845-L908 HydrophobicContact CG2-CG 4.11Å |
| 846 | L | 97.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 130.2 | 176.3 | -170.4 | 63 | 0 | 0 | 0 | 110.2 | G830 S831 V833 I903 L923 I1011 V1030 M1037 | G830-L846 CarbonylContact C-O 3.49Å; G830-L846 VanDerWaalsContact CA-O 3.26Å; G830-L846 WeakPolarHBondContact CA-O 3.32Å; S831-L846 PolarHBondContact N-O 3.24Å; S831-L846 PolarHBondContact O-N 3.27Å; S831-L846 PolarHBondContact OG-O 3.32Å; V833-L846 HydrophobicContact CG1-CB 3.86Å; V833-L846 HydrophobicContact CG1-CD2 4.23Å; V833-L846 HydrophobicContact CG2-CB 4.3Å; L846-I903 HydrophobicContact CD1-CD1 3.96Å; L846-I903 HydrophobicContact CD1-CG1 3.73Å; L846-L923 HydrophobicContact CD2-CD2 4.25Å; L846-I1011 HydrophobicContact CD1-CD1 4.17Å; L846-I1011 HydrophobicContact CD2-CD1 3.95Å; L846-I1011 HydrophobicContact CD2-CG1 4.45Å; L846-I1011 HydrophobicContact CG-CD1 3.75Å; L846-I1011 HydrophobicContact CG-CG1 4.44Å; L846-V1030 HydrophobicContact CD2-CG1 4.16Å; L846-V1030 HydrophobicContact CD2-CG2 4.5Å; L846-M1037 HydrophobicContact CD1-CG 4.49Å; L846-M1037 HydrophobicContact CD1-SD 3.5Å; L846-M1037 WeakPolarHBondContact CD1-SD 3Å; L846-M1037 HydrophobicContact CD2-CE 4.43Å; L846-M1037 HydrophobicContact CD2-SD 3.62Å; L846-M1037 HydrophobicContact CG-SD 4.2Å |
| 847 | T | 97.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | -176 | 178.6 | -168.9 | 0 | 0 | 0 | 0 | 110.9 | G829 A904 L906 G995 | G829-T847 PolarHBondContact O-OG1 3.02Å; T847-A904 HydrophobicContact CG2-CB 4.06Å; T847-A904 PolarHBondContact N-O 3.49Å; T847-A904 PolarHBondContact O-N 3.23Å; T847-L906 HydrophobicContact CG2-CD1 3.51Å; T847-L906 HydrophobicContact CG2-CG 4.27Å; T847-G995 WeakPolarHBondContact OG1-CA 3.46Å |
| 848 | A | 97.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -83.1 | 142.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | H850 C851 I1011 | A848-H850 VanDerWaalsContact C-N 3.32Å; A848-H850 PolarHBondContact O-N 3.22Å; A848-C851 WeakPolarHBondContact O-CB 3.35Å; A848-C851 PolarHBondContact O-N 3.43Å; A848-I1011 HydrophobicContact CB-CG2 4.07Å | ||
| 849 | A | 97 | Very high | 90.5 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.9 | -35.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | C851 L852 L853 T891 Y894 D902 A904 | A849-C851 PolarHBondContact O-N 3.12Å; A849-C851 VanDerWaalsContact O-N 3.16Å; A849-L852 PolarHBondContact O-N 3.05Å; A849-L852 VanDerWaalsContact O-N 3.11Å; A849-L853 PolarHBondContact O-N 2.73Å; A849-T891 HydrophobicContact CB-CG2 4.1Å; A849-Y894 HydrophobicContact CB-CD1 4.22Å; A849-Y894 HydrophobicContact CB-CD2 4.1Å; A849-Y894 HydrophobicContact CB-CG 3.7Å; A849-D902 WeakPolarHBondContact CA-OD1 3.37Å; A849-D902 PolarHBondContact N-OD1 2.88Å; A849-A904 HydrophobicContact CB-CB 4.46Å |
| 850 | H | 95.1 | Very high | 91.5 | Very high | 36 Ų | 36 | 30.3 Ų | 30.3 | 17% | 0.167 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.8 | -17.3 | 178.8 | 87.7 | -101.4 | 0 | 0 | 0 | 113.2 | K826 A848 Y894 D902 S994 S1013 | K826-H850 PolarHBondContact NZ-O 3.35Å; A848-H850 VanDerWaalsContact C-N 3.32Å; A848-H850 PolarHBondContact O-N 3.22Å; H850-Y894 HydrophobicContact CB-CE1 3.85Å; H850-Y894 HydrophobicContact CB-CE2 4.31Å; H850-Y894 VanDerWaalsContact CB-OH 3.28Å; H850-Y894 WeakPolarHBondContact CB-OH 3.47Å; H850-D902 IonicContact CE1-OD2 2.98Å; H850-D902 IonicContact CG-OD1 2.79Å; H850-D902 IonicContact CG-OD2 4Å; H850-D902 PolarHBondContact N-OD1 2.89Å; H850-D902 IonicContact ND1-OD1 3.16Å; H850-D902 PolarHBondContact ND1-OD1 2.93Å; H850-D902 IonicContact ND1-OD2 2.65Å; H850-D902 PolarHBondContact ND1-OD2 3.01Å; H850-S994 VanDerWaalsContact CE1-CB 3.48Å; H850-S994 WeakPolarHBondContact CE1-CB 3.44Å; H850-S994 PolarHBondContact CE1-OG 3.45Å; H850-S994 VanDerWaalsContact NE2-CB 3.26Å; H850-S994 WeakPolarHBondContact NE2-CB 3.01Å; H850-S994 PolarHBondContact NE2-OG 3.19Å; H850-S1013 PolarHBondContact CE1-O 2.77Å |
| 851 | C | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.8 | -41.6 | 173.1 | -73.6 | 0 | 0 | 0 | 0 | 111.5 | I818 K826 C828 A848 A849 L853 | I818-C851 HydrophobicContact CD1-CB 4.25Å; K826-C851 WeakPolarHBondContact CE-O 3.24Å; K826-C851 PolarHBondContact NZ-O 2.76Å; C828-C851 HydrophobicContact CB-CB 3.79Å; C828-C851 WeakPolarHBondContact CB-SG 3.37Å; C828-C851 WeakPolarHBondContact SG-CB 3.5Å; C828-C851 CovalentContact SG-SG 2.03Å; C828-C851 PolarHBondContact SG-SG 2.89Å; A848-C851 WeakPolarHBondContact O-CB 3.35Å; A848-C851 PolarHBondContact O-N 3.43Å; A849-C851 PolarHBondContact O-N 3.12Å; A849-C851 VanDerWaalsContact O-N 3.16Å; C851-L853 VanDerWaalsContact C-N 3.34Å |
| 852 | L | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -81.4 | -12.7 | -177.8 | -53.9 | 178 | 0 | 0 | 0 | 113.3 | I818 A849 Y858 M859 V864 Y889 A904 L906 | I818-L852 HydrophobicContact CG1-CD2 4.34Å; A849-L852 PolarHBondContact O-N 3.05Å; A849-L852 VanDerWaalsContact O-N 3.11Å; L852-Y858 HydrophobicContact CB-CD1 4.16Å; L852-Y858 HydrophobicContact CB-CE1 4.43Å; L852-M859 WeakPolarHBondContact O-CB 3.2Å; L852-M859 WeakPolarHBondContact O-CG 3.37Å; L852-M859 PolarHBondContact O-N 3.05Å; L852-V864 HydrophobicContact CD2-CG1 4.07Å; L852-V864 HydrophobicContact CD2-CG2 3.96Å; L852-Y889 HydrophobicContact CB-CE2 4.45Å; L852-Y889 HydrophobicContact CD1-CD1 4.07Å; L852-Y889 HydrophobicContact CD1-CD2 3.56Å; L852-Y889 HydrophobicContact CD1-CE1 4.22Å; L852-Y889 HydrophobicContact CD1-CE2 3.74Å; L852-Y889 HydrophobicContact CD1-CG 3.74Å; L852-A904 HydrophobicContact CD1-CB 3.73Å; L852-L906 HydrophobicContact CD1-CD2 4.06Å; L852-L906 HydrophobicContact CD2-CD2 4.13Å |
| 853 | L | 92.9 | Very high | 92.7 | Very high | 31 Ų | 31 | 38.8 Ų | 38.8 | 16% | 0.162 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 125.8 | 176.2 | -161.2 | 74.9 | 0 | 0 | 0 | 110.8 | K826 A849 C851 Y858 Y894 | K826-L853 PolarHBondContact NZ-O 3.19Å; A849-L853 PolarHBondContact O-N 2.73Å; C851-L853 VanDerWaalsContact C-N 3.34Å; L853-Y858 HydrophobicContact CB-CE1 4.31Å; L853-Y858 HydrophobicContact CD1-CD1 3.99Å; L853-Y858 HydrophobicContact CD1-CD2 3.97Å; L853-Y858 HydrophobicContact CD1-CE1 4.01Å; L853-Y858 HydrophobicContact CD1-CE2 4.01Å; L853-Y858 HydrophobicContact CD1-CG 3.97Å; L853-Y894 HydrophobicContact CD2-CD1 4.21Å; L853-Y894 HydrophobicContact CD2-CE1 3.94Å |
| 854 | V | 88.3 | Confident | 92.9 | Very high | 25 Ų | 25 | 38.2 Ų | 38.2 | 15% | 0.152 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 122.1 | 177.4 | 178.8 | 0 | 0 | 0 | 0 | 108 | I818 Q820 K826 G856 V857 M859 | I818-V854 HydrophobicContact CG2-CG2 4.37Å; Q820-V854 HydrophobicContact CB-CG1 4.41Å; Q820-V854 HydrophobicContact CG-CG1 4Å; Q820-V854 HydrophobicContact CG-CG2 4.11Å; K826-V854 HydrophobicContact CD-CG2 4.22Å; V854-G856 PolarHBondContact O-N 3.45Å; V854-V857 PolarHBondContact N-O 3.33Å; V854-V857 PolarHBondContact O-N 3.46Å; V854-V857 VanDerWaalsContact O-O 3.13Å; V854-M859 HydrophobicContact CB-CG 3.96Å; V854-M859 HydrophobicContact CB-SD 3.84Å; V854-M859 HydrophobicContact CG2-CG 3.59Å; V854-M859 HydrophobicContact CG2-SD 4.02Å |
| 855 | G | 83.8 | Confident | 92.9 | Very high | 85 Ų | 85 | 40.9 Ų | 40.9 | 88% | 0.876 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 26.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | V857 | G855-V857 VanDerWaalsContact C-N 3.27Å; G855-V857 PolarHBondContact O-N 2.94Å |
| 856 | G | 85.3 | Confident | 92.8 | Very high | 63 Ų | 63 | 40.9 Ų | 40.9 | 65% | 0.649 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81 | -1.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115 | V854 | V854-G856 PolarHBondContact O-N 3.45Š|
| 857 | V | 89.8 | Confident | 92.7 | Very high | 98 Ų | 98 | 41 Ų | 41 | 59% | 0.594 | 23% | 0.232 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 137.5 | 179.1 | -176 | 0 | 0 | 0 | 0 | 110.4 | V854 G855 | V854-V857 PolarHBondContact N-O 3.33Å; V854-V857 PolarHBondContact O-N 3.46Å; V854-V857 VanDerWaalsContact O-O 3.13Å; G855-V857 VanDerWaalsContact C-N 3.27Å; G855-V857 PolarHBondContact O-N 2.94Å |
| 858 | Y | 92.2 | Very high | 92.5 | Very high | 77 Ų | 77 | 41 Ų | 41 | 30% | 0.302 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 126.5 | 174.2 | -85.9 | -64.3 | 0 | 0 | 0 | 111.1 | L852 L853 Y889 T891 | L852-Y858 HydrophobicContact CB-CD1 4.16Å; L852-Y858 HydrophobicContact CB-CE1 4.43Å; L853-Y858 HydrophobicContact CB-CE1 4.31Å; L853-Y858 HydrophobicContact CD1-CD1 3.99Å; L853-Y858 HydrophobicContact CD1-CD2 3.97Å; L853-Y858 HydrophobicContact CD1-CE1 4.01Å; L853-Y858 HydrophobicContact CD1-CE2 4.01Å; L853-Y858 HydrophobicContact CD1-CG 3.97Å; Y858-Y889 WeakPolarHBondContact CB-OH 3.42Å; Y858-Y889 HydrophobicContact CD1-CE2 4.24Å; Y858-T891 HydrophobicContact CE1-CG2 4Å; Y858-T891 PolarHBondContact OH-OG1 3.29Å |
| 859 | M | 93.2 | Very high | 92.1 | Very high | 11 Ų | 11 | 41.2 Ų | 41.2 | 5% | 0.054 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -74.5 | 134.3 | -174.3 | -66.9 | -60.7 | -66.4 | 0 | 0 | 111.8 | I818 L819 P821 L852 V854 N863 Y889 | I818-M859 HydrophobicContact CG2-CB 3.96Å; I818-M859 HydrophobicContact CG2-CE 4.41Å; I818-M859 HydrophobicContact CG2-CG 3.73Å; L819-M859 WeakPolarHBondContact O-CE 3.28Å; P821-M859 HydrophobicContact CG-CE 4.33Å; P821-M859 HydrophobicContact CG-SD 4.47Å; L852-M859 WeakPolarHBondContact O-CB 3.2Å; L852-M859 WeakPolarHBondContact O-CG 3.37Å; L852-M859 PolarHBondContact O-N 3.05Å; V854-M859 HydrophobicContact CB-CG 3.96Å; V854-M859 HydrophobicContact CB-SD 3.84Å; V854-M859 HydrophobicContact CG2-CG 3.59Å; V854-M859 HydrophobicContact CG2-SD 4.02Å; M859-N863 HydrophobicContact CE-CB 4.15Å; M859-N863 WeakPolarHBondContact CE-ND2 3.13Å; M859-Y889 PolarHBondContact N-OH 3.06Å; M859-Y889 VanDerWaalsContact O-CE1 3.3Å; M859-Y889 WeakPolarHBondContact O-CE1 3.4Å; M859-Y889 PolarHBondContact O-OH 3.25Å |
| 860 | Q | 92.5 | Very high | 91.9 | Very high | 107 Ų | 107 | 41.4 Ų | 41.4 | 50% | 0.5 | 24% | 0.236 | S | C | . | . | P | Polyproline II helix | trans | -58.4 | 140.4 | -179.7 | -68.7 | -65 | -31 | 0 | 0 | 111.4 | R862 N863 | Q860-R862 HydrophobicContact CB-CG 4.1Å; Q860-R862 PolarHBondContact O-N 3.36Å; Q860-N863 WeakPolarHBondContact O-CB 3.43Å; Q860-N863 PolarHBondContact O-N 2.85Å |
| 861 | P | 91.5 | Very high | 91.7 | Very high | 25 Ų | 25 | 39.7 Ų | 39.7 | 16% | 0.162 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -51.4 | -36.4 | -175.8 | -30.5 | 35.7 | 0 | 0 | 0 | 114.9 | N863 V864 V886 Y889 | P861-N863 PolarHBondContact O-N 2.04Å; P861-N863 VanDerWaalsContact O-N 3.16Å; P861-V864 PolarHBondContact O-N 3.08Å; P861-V886 HydrophobicContact CB-CB 4.48Å; P861-V886 HydrophobicContact CB-CG1 4.18Å; P861-V886 WeakPolarHBondContact CB-O 3.43Å; P861-Y889 HydrophobicContact CG-CD1 4.18Å; P861-Y889 HydrophobicContact CG-CE1 4.06Å |
| 862 | R | 90.9 | Very high | 91.5 | Very high | 199 Ų | 199 | 40.8 Ų | 40.8 | 75% | 0.751 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -58.6 | -23.3 | 175.4 | 62.6 | 170 | -172.8 | -110.5 | 3.9 | 114.8 | Q860 V864 | Q860-R862 HydrophobicContact CB-CG 4.1Å; Q860-R862 PolarHBondContact O-N 3.36Å; R862-V864 VanDerWaalsContact C-N 3.32Å |
| 863 | N | 93.2 | Very high | 91.3 | Very high | 42 Ų | 42 | 42.5 Ų | 42.5 | 23% | 0.225 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -89.3 | 2.7 | 178 | -66.9 | 12.4 | 0 | 0 | 0 | 112.4 | I818 L819 M859 Q860 P861 | I818-N863 WeakPolarHBondContact CA-O 3.26Å; L819-N863 HydrophobicContact CB-CB 4.44Å; L819-N863 PolarHBondContact N-O 2.85Å; L819-N863 PolarHBondContact O-ND2 2.99Å; M859-N863 HydrophobicContact CE-CB 4.15Å; M859-N863 WeakPolarHBondContact CE-ND2 3.13Å; Q860-N863 WeakPolarHBondContact O-CB 3.43Å; Q860-N863 PolarHBondContact O-N 2.85Å; P861-N863 PolarHBondContact O-N 2.04Å; P861-N863 VanDerWaalsContact O-N 3.16Å |
| 864 | V | 94.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 117.1 | -178.6 | -170 | 0 | 0 | 0 | 0 | 109.6 | V816 T817 I818 L852 P861 R862 I866 V886 L906 | V816-V864 HydrophobicContact CG1-CG1 3.78Å; T817-V864 WeakPolarHBondContact O-CA 3.19Å; I818-V864 HydrophobicContact CG1-CG1 4.45Å; I818-V864 HydrophobicContact CG1-CG2 4.45Å; L852-V864 HydrophobicContact CD2-CG1 4.07Å; L852-V864 HydrophobicContact CD2-CG2 3.96Å; P861-V864 PolarHBondContact O-N 3.08Å; R862-V864 VanDerWaalsContact C-N 3.32Å; V864-I866 HydrophobicContact CG1-CD1 4.47Å; V864-V886 HydrophobicContact CB-CB 4.23Å; V864-V886 HydrophobicContact CB-CG2 3.89Å; V864-V886 HydrophobicContact CG1-CG2 3.74Å; V864-V886 WeakPolarHBondContact O-CG2 3.44Å; V864-L906 HydrophobicContact CG1-CD2 4.24Å |
| 865 | K | 92.5 | Very high | 90.9 | Very high | 58 Ų | 58 | 47.9 Ų | 47.9 | 25% | 0.252 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 137.5 | 177.1 | -60.8 | -174.3 | -176 | -175.6 | 0 | 110 | T817 D1075 | T817-K865 PolarHBondContact N-O 2.84Å; T817-K865 PolarHBondContact O-N 2.85Å; K865-D1075 IonicContact NZ-OD1 2.97Å; K865-D1075 PolarHBondContact NZ-OD1 3.05Å |
| 866 | I | 94.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 132.6 | 175.6 | -53.9 | -60.2 | 0 | 0 | 0 | 108.8 | V814 R815 V816 V845 V864 Y883 V884 V886 L906 L908 | V814-I866 HydrophobicContact CB-CG2 3.83Å; V814-I866 HydrophobicContact CG1-CG2 4.1Å; V814-I866 HydrophobicContact CG2-CG2 3.87Å; R815-I866 WeakPolarHBondContact O-CA 3.34Å; V816-I866 HydrophobicContact CB-CD1 4.21Å; V816-I866 HydrophobicContact CG1-CD1 3.92Å; V816-I866 HydrophobicContact CG2-CD1 3.8Å; V845-I866 HydrophobicContact CG2-CG2 4.29Å; V864-I866 HydrophobicContact CG1-CD1 4.47Å; I866-Y883 CarbonylContact O-C 3.52Å; I866-Y883 VanDerWaalsContact O-CA 3.26Å; I866-Y883 WeakPolarHBondContact O-CA 3.45Å; I866-V884 WeakPolarHBondContact CB-O 3.33Å; I866-V884 PolarHBondContact N-O 3.42Å; I866-V884 PolarHBondContact O-N 2.83Å; I866-V886 HydrophobicContact CD1-CG2 4.09Å; I866-V886 HydrophobicContact CG1-CG2 3.76Å; I866-L906 HydrophobicContact CD1-CD1 4.07Å; I866-L908 HydrophobicContact CB-CD2 4.18Å; I866-L908 HydrophobicContact CG1-CD2 3.71Å |
| 867 | L | 94.5 | Very high | 90.1 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 111.9 | 167.6 | 175.4 | 61.7 | 0 | 0 | 0 | 108.9 | V814 R815 A870 L873 R881 Y883 | V814-L867 CarbonylContact C-O 3.58Å; V814-L867 VanDerWaalsContact CA-O 3.29Å; V814-L867 WeakPolarHBondContact CA-O 3.38Å; V814-L867 WeakPolarHBondContact CB-O 3.21Å; R815-L867 HydrophobicContact CB-CB 4.33Å; R815-L867 PolarHBondContact N-O 2.76Å; R815-L867 PolarHBondContact O-N 2.98Å; L867-A870 HydrophobicContact CD1-CB 4.15Å; L867-A870 HydrophobicContact CD2-CB 3.78Å; L867-A870 HydrophobicContact CG-CB 3.81Å; L867-L873 HydrophobicContact CD2-CD2 3.92Å; L867-R881 HydrophobicContact CD1-CB 4.22Å; L867-Y883 HydrophobicContact CB-CD1 3.96Å; L867-Y883 HydrophobicContact CB-CE1 3.81Å; L867-Y883 HydrophobicContact CD1-CD1 4.02Å; L867-Y883 HydrophobicContact CD1-CD2 4.18Å; L867-Y883 HydrophobicContact CD1-CE1 3.88Å; L867-Y883 HydrophobicContact CD1-CE2 4.04Å; L867-Y883 HydrophobicContact CD1-CG 4.17Å; L867-Y883 HydrophobicContact CD2-CE1 4.08Å; L867-Y883 HydrophobicContact CG-CD1 4.49Å; L867-Y883 HydrophobicContact CG-CE1 4.13Å |
| 868 | A | 93.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 156.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V814 A870 R881 S882 I912 | V814-A868 HydrophobicContact CG1-CB 3.69Å; A868-A870 PolarHBondContact O-N 3.36Å; A868-A870 VanDerWaalsContact O-N 3.1Å; A868-R881 CarbonylContact O-C 3.33Å; A868-R881 WeakPolarHBondContact O-CA 3.44Å; A868-S882 PolarHBondContact N-O 3.24Å; A868-S882 PolarHBondContact O-N 3.07Å; A868-I912 HydrophobicContact CB-CD1 3.79Å |
| 869 | G | 89.8 | Confident | 88.7 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 4% | 0.041 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 72.6 | -5.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | H808 Y917 | H808-G869 PolarHBondContact ND1-O 2.82Å; G869-Y917 WeakPolarHBondContact CA-O 3.23Å |
| 870 | A | 91.9 | Very high | 87.8 | Confident | 5 Ų | 5 | 42.3 Ų | 42.3 | 4% | 0.041 | 20% | 0.199 | C | C | . | . | trans | -77.1 | 152.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L867 A868 E878 R881 W941 | L867-A870 HydrophobicContact CD1-CB 4.15Å; L867-A870 HydrophobicContact CD2-CB 3.78Å; L867-A870 HydrophobicContact CG-CB 3.81Å; A868-A870 PolarHBondContact O-N 3.36Å; A868-A870 VanDerWaalsContact O-N 3.1Å; A870-E878 VanDerWaalsContact CA-OE2 3.32Å; A870-E878 WeakPolarHBondContact CA-OE2 3.38Å; A870-R881 HydrophobicContact CB-CB 4.08Å; A870-W941 VanDerWaalsContact O-CZ2 3.32Å; A870-W941 WeakPolarHBondContact O-CZ2 3.27Å | ||
| 871 | H | 91.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -125.7 | -44.4 | 169.2 | 179.1 | 94.4 | 0 | 0 | 0 | 110.2 | F444 E804 A805 E878 W941 L953 L954 | F444-H871 PolarHBondContact O-CE1 3.45Å; F444-H871 PolarHBondContact O-NE2 3.25Å; E804-H871 IonicContact OE1-CD2 3.08Å; E804-H871 IonicContact OE1-CE1 3.96Å; E804-H871 IonicContact OE1-NE2 3.8Å; E804-H871 PolarHBondContact OE1-NE2 3.19Å; A805-H871 PolarHBondContact O-CE1 2.92Å; H871-E878 WeakPolarHBondContact CA-OE1 3.43Å; H871-E878 WeakPolarHBondContact CB-OE1 3.41Å; H871-E878 PolarHBondContact N-OE1 2.88Å; H871-E878 PolarHBondContact N-OE2 2.95Å; H871-W941 PolarHBondContact O-NE1 3.18Å; H871-L953 CarbonylContact O-C 3.54Å; H871-L953 WeakPolarHBondContact O-CA 3.46Å; H871-L954 PolarHBondContact O-N 3.23Å |
| 872 | D | 91.2 | Very high | 87.1 | Confident | 23 Ų | 23 | 40.5 Ų | 40.5 | 12% | 0.123 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -104.1 | 106.1 | 177.3 | -178.9 | -2.6 | 0 | 0 | 0 | 111.7 | K874 N875 E878 L953 | D872-K874 PolarHBondContact O-N 3.45Å; D872-K874 WeakPolarHBondContact OD1-CA 3.19Å; D872-K874 WeakPolarHBondContact OD1-CB 3.46Å; D872-K874 PolarHBondContact OD1-N 3.47Å; D872-N875 HydrophobicContact CB-CB 3.83Å; D872-N875 PolarHBondContact O-N 3.17Å; D872-N875 VanDerWaalsContact O-N 3.07Å; D872-N875 PolarHBondContact OD1-N 3.4Å; D872-N875 WeakPolarHBondContact OD2-CB 3.39Å; D872-E878 PolarHBondContact N-OE1 2.7Å; D872-E878 PolarHBondContact N-OE2 2.97Å; D872-L953 HydrophobicContact CB-CD2 3.4Å; D872-L953 VanDerWaalsContact CB-CD2 3.4Å; D872-L953 WeakPolarHBondContact OD1-CD2 3.02Å |
| 873 | L | 90.4 | Very high | 86.9 | Confident | 36 Ų | 36 | 36.1 Ų | 36.1 | 19% | 0.188 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -23.2 | -180 | -60.7 | 178.5 | 0 | 0 | 0 | 113.6 | L867 W941 D952 | L867-L873 HydrophobicContact CD2-CD2 3.92Å; L873-W941 HydrophobicContact CD1-CB 3.69Å; L873-W941 HydrophobicContact CD1-CD2 4.06Å; L873-W941 HydrophobicContact CD1-CG 3.43Å; L873-W941 VanDerWaalsContact CD1-CG 3.43Å; L873-W941 HydrophobicContact CD2-CD2 4.17Å; L873-W941 HydrophobicContact CD2-CG 4.39Å; L873-W941 HydrophobicContact CD2-CZ2 4.17Å; L873-W941 HydrophobicContact CG-CD2 4.25Å; L873-W941 HydrophobicContact CG-CG 3.97Å; L873-D952 WeakPolarHBondContact CB-O 3.44Å; L873-D952 WeakPolarHBondContact CG-O 3.22Å; L873-D952 PolarHBondContact N-O 3.2Å |
| 874 | K | 88.3 | Confident | 86.6 | Confident | 148 Ų | 148 | 34.6 Ų | 34.6 | 64% | 0.643 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -21.5 | 175 | -75.8 | 178 | 165.7 | 155.2 | 0 | 112.4 | D872 Q876 D952 | D872-K874 PolarHBondContact O-N 3.45Å; D872-K874 WeakPolarHBondContact OD1-CA 3.19Å; D872-K874 WeakPolarHBondContact OD1-CB 3.46Å; D872-K874 PolarHBondContact OD1-N 3.47Å; K874-Q876 PolarHBondContact O-N 2.97Å; K874-Q876 VanDerWaalsContact O-N 3.17Å; K874-D952 HydrophobicContact CD-CB 4.01Å; K874-D952 WeakPolarHBondContact CD-OD1 3.21Å; K874-D952 VanDerWaalsContact CE-CG 3.4Å; K874-D952 WeakPolarHBondContact CE-OD1 3.3Å; K874-D952 HydrophobicContact CG-CB 4.27Å; K874-D952 IonicContact NZ-OD1 3.56Å; K874-D952 PolarHBondContact NZ-OD1 2.9Å; K874-D952 IonicContact NZ-OD2 3.57Å; K874-D952 PolarHBondContact NZ-OD2 2.9Å |
| 875 | N | 84.9 | Confident | 86.2 | Confident | 21 Ų | 21 | 38 Ų | 38 | 11% | 0.112 | 18% | 0.181 | C | C | . | . | trans | -83.5 | 91.4 | 176.4 | -174.1 | 12.5 | 0 | 0 | 0 | 111.6 | W443 D872 Y877 E878 R881 | W443-N875 VanDerWaalsContact CD2-ND2 3.27Å; W443-N875 WeakPolarHBondContact CH2-ND2 3.21Å; W443-N875 WeakPolarHBondContact CZ2-ND2 3.41Å; W443-N875 WeakPolarHBondContact CZ3-ND2 3.47Å; D872-N875 HydrophobicContact CB-CB 3.83Å; D872-N875 PolarHBondContact O-N 3.17Å; D872-N875 VanDerWaalsContact O-N 3.07Å; D872-N875 PolarHBondContact OD1-N 3.4Å; D872-N875 WeakPolarHBondContact OD2-CB 3.39Å; N875-Y877 PolarHBondContact O-N 3.42Å; N875-Y877 VanDerWaalsContact O-N 3.13Å; N875-Y877 PolarHBondContact OD1-N 3.25Å; N875-Y877 VanDerWaalsContact OD1-N 3.09Å; N875-E878 HydrophobicContact CB-CB 4.15Å; N875-E878 WeakPolarHBondContact ND2-CA 3.22Å; N875-E878 PolarHBondContact ND2-N 2.87Å; N875-E878 WeakPolarHBondContact O-CB 3.35Å; N875-E878 PolarHBondContact O-N 2.85Å; N875-E878 PolarHBondContact OD1-N 2.92Å; N875-R881 PolarHBondContact O-NH1 3Å; N875-R881 VanDerWaalsContact O-NH1 3.09Å | ||
| 876 | Q | 79.4 | Confident | 86.2 | Confident | 69 Ų | 69 | 35.5 Ų | 35.5 | 32% | 0.322 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -13.1 | 175.9 | 68 | 179.4 | -35.8 | 0 | 0 | 114.9 | K874 R881 | K874-Q876 PolarHBondContact O-N 2.97Å; K874-Q876 VanDerWaalsContact O-N 3.17Å; Q876-R881 VanDerWaalsContact CA-CZ 3.47Å; Q876-R881 PolarHBondContact O-NE 2.91Å |
| 877 | Y | 73 | Confident | 85.9 | Confident | 91 Ų | 91 | 40.1 Ų | 40.1 | 36% | 0.357 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | 18.3 | -179.6 | -52.6 | -65 | 0 | 0 | 0 | 112.8 | W443 N875 P1105 | W443-Y877 WeakPolarHBondContact CZ2-O 3.24Å; N875-Y877 PolarHBondContact O-N 3.42Å; N875-Y877 VanDerWaalsContact O-N 3.13Å; N875-Y877 PolarHBondContact OD1-N 3.25Å; N875-Y877 VanDerWaalsContact OD1-N 3.09Å; Y877-P1105 HydrophobicContact CD1-CB 4.35Å; Y877-P1105 HydrophobicContact CD1-CG 4.44Å; Y877-P1105 HydrophobicContact CE1-CB 4.15Å; Y877-P1105 HydrophobicContact CE1-CG 3.75Å; Y877-P1105 HydrophobicContact CE2-CG 4.41Å |
| 878 | E | 78.9 | Confident | 85.7 | Confident | 7 Ų | 7 | 42.1 Ų | 42.1 | 3% | 0.033 | 20% | 0.201 | C | C | . | . | trans | -62.6 | 135.3 | 176 | -167.3 | -178.7 | -176.4 | 0 | 0 | 111.7 | W443 H808 A870 H871 D872 N875 R881 | W443-E878 HydrophobicContact CB-CG 4.06Å; W443-E878 HydrophobicContact CG-CG 3.85Å; H808-E878 IonicContact CE1-OE1 3.48Å; H808-E878 PolarHBondContact CE1-OE1 2.82Å; H808-E878 IonicContact ND1-OE1 2.75Å; H808-E878 IonicContact NE2-OE1 3.74Å; A870-E878 VanDerWaalsContact CA-OE2 3.32Å; A870-E878 WeakPolarHBondContact CA-OE2 3.38Å; H871-E878 WeakPolarHBondContact CA-OE1 3.43Å; H871-E878 WeakPolarHBondContact CB-OE1 3.41Å; H871-E878 PolarHBondContact N-OE1 2.88Å; H871-E878 PolarHBondContact N-OE2 2.95Å; D872-E878 PolarHBondContact N-OE1 2.7Å; D872-E878 PolarHBondContact N-OE2 2.97Å; N875-E878 HydrophobicContact CB-CB 4.15Å; N875-E878 WeakPolarHBondContact ND2-CA 3.22Å; N875-E878 PolarHBondContact ND2-N 2.87Å; N875-E878 WeakPolarHBondContact O-CB 3.35Å; N875-E878 PolarHBondContact O-N 2.85Å; N875-E878 PolarHBondContact OD1-N 2.92Å; E878-R881 HydrophobicContact CB-CB 4.33Å; E878-R881 HydrophobicContact CB-CG 4.47Å; E878-R881 WeakPolarHBondContact O-CD 2.94Å; E878-R881 VanDerWaalsContact O-CG 3.24Å; E878-R881 WeakPolarHBondContact O-CG 3.3Å | ||
| 879 | I | 73.3 | Confident | 85.7 | Confident | 22 Ų | 22 | 44 Ų | 44 | 11% | 0.113 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 139.7 | -176.2 | -64.9 | 171.4 | 0 | 0 | 0 | 108.9 | P441 W443 H808 R881 Y917 A1109 | P441-I879 HydrophobicContact CG-CD1 4.27Å; W443-I879 VanDerWaalsContact CD1-N 3.32Å; H808-I879 PolarHBondContact CE1-O 3.23Å; H808-I879 VanDerWaalsContact CE1-O 3.29Å; I879-R881 PolarHBondContact O-N 3.2Å; I879-Y917 HydrophobicContact CG2-CE1 4.37Å; I879-Y917 HydrophobicContact CG2-CE2 3.88Å; I879-Y917 WeakPolarHBondContact CG2-OH 3.41Å; I879-A1109 HydrophobicContact CB-CB 4.42Å; I879-A1109 HydrophobicContact CD1-CB 4Å; I879-A1109 HydrophobicContact CG1-CB 3.75Å; I879-A1109 HydrophobicContact CG2-CB 3.92Å |
| 880 | G | 74.2 | Confident | 85.9 | Confident | 28 Ų | 28 | 45.2 Ų | 45.2 | 29% | 0.289 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82 | -11.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115 | S882 | G880-S882 PolarHBondContact O-N 2.62Š|
| 881 | R | 87.3 | Confident | 85.9 | Confident | 42 Ų | 42 | 46.5 Ų | 46.5 | 16% | 0.158 | 22% | 0.222 | C | C | . | . | trans | -65.9 | 133 | 175.3 | 90.6 | -172.1 | -128.8 | 127.1 | 4 | 110.8 | L867 A868 A870 N875 Q876 E878 I879 Y883 | L867-R881 HydrophobicContact CD1-CB 4.22Å; A868-R881 CarbonylContact O-C 3.33Å; A868-R881 WeakPolarHBondContact O-CA 3.44Å; A870-R881 HydrophobicContact CB-CB 4.08Å; N875-R881 PolarHBondContact O-NH1 3Å; N875-R881 VanDerWaalsContact O-NH1 3.09Å; Q876-R881 VanDerWaalsContact CA-CZ 3.47Å; Q876-R881 PolarHBondContact O-NE 2.91Å; E878-R881 HydrophobicContact CB-CB 4.33Å; E878-R881 HydrophobicContact CB-CG 4.47Å; E878-R881 WeakPolarHBondContact O-CD 2.94Å; E878-R881 VanDerWaalsContact O-CG 3.24Å; E878-R881 WeakPolarHBondContact O-CG 3.3Å; I879-R881 PolarHBondContact O-N 3.2Å; R881-Y883 VanDerWaalsContact NH2-CE2 3.33Å; R881-Y883 PolarHBondContact NH2-OH 2.86Å | ||
| 882 | S | 81.5 | Confident | 85.8 | Confident | 52 Ų | 52 | 47.9 Ų | 47.9 | 36% | 0.364 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 122.2 | 179.8 | -172 | 0 | 0 | 0 | 0 | 110.8 | A868 G880 | A868-S882 PolarHBondContact N-O 3.24Å; A868-S882 PolarHBondContact O-N 3.07Å; G880-S882 PolarHBondContact O-N 2.62Å |
| 883 | Y | 88 | Confident | 85.6 | Confident | 106 Ų | 106 | 53.6 Ų | 53.6 | 42% | 0.416 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 135.3 | 166 | -71 | -79.3 | 0 | 0 | 0 | 110.3 | I866 L867 R881 | I866-Y883 CarbonylContact O-C 3.52Å; I866-Y883 VanDerWaalsContact O-CA 3.26Å; I866-Y883 WeakPolarHBondContact O-CA 3.45Å; L867-Y883 HydrophobicContact CB-CD1 3.96Å; L867-Y883 HydrophobicContact CB-CE1 3.81Å; L867-Y883 HydrophobicContact CD1-CD1 4.02Å; L867-Y883 HydrophobicContact CD1-CD2 4.18Å; L867-Y883 HydrophobicContact CD1-CE1 3.88Å; L867-Y883 HydrophobicContact CD1-CE2 4.04Å; L867-Y883 HydrophobicContact CD1-CG 4.17Å; L867-Y883 HydrophobicContact CD2-CE1 4.08Å; L867-Y883 HydrophobicContact CG-CD1 4.49Å; L867-Y883 HydrophobicContact CG-CE1 4.13Å; R881-Y883 VanDerWaalsContact NH2-CE2 3.33Å; R881-Y883 PolarHBondContact NH2-OH 2.86Å |
| 884 | V | 85.4 | Confident | 85.7 | Confident | 11 Ų | 11 | 53.1 Ų | 53.1 | 7% | 0.067 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 134.4 | 176.6 | -166.5 | 0 | 0 | 0 | 0 | 109.5 | I866 L908 I912 | I866-V884 WeakPolarHBondContact CB-O 3.33Å; I866-V884 PolarHBondContact N-O 3.42Å; I866-V884 PolarHBondContact O-N 2.83Å; V884-L908 HydrophobicContact CB-CD2 4.25Å; V884-L908 HydrophobicContact CG1-CB 3.88Å; V884-L908 HydrophobicContact CG1-CD1 4.2Å; V884-L908 HydrophobicContact CG1-CD2 4.08Å; V884-L908 HydrophobicContact CG1-CG 4.28Å; V884-I912 HydrophobicContact CG2-CD1 3.91Å; V884-I912 HydrophobicContact CG2-CG1 3.78Å |
| 885 | R | 87.4 | Confident | 85.9 | Confident | 72 Ų | 72 | 49.2 Ų | 49.2 | 27% | 0.272 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 146.4 | 176 | -64.9 | -178.2 | -177.8 | -179 | 0 | 110.3 | Q909 Q1071 D1075 | R885-Q909 WeakPolarHBondContact O-CB 3.4Å; R885-Q909 PolarHBondContact O-N 3.21Å; R885-Q1071 PolarHBondContact NH2-O 2.97Å; R885-Q1071 VanDerWaalsContact NH2-O 3.09Å; R885-D1075 IonicContact CZ-OD2 3.99Å; R885-D1075 IonicContact NE-OD2 3.43Å; R885-D1075 IonicContact NH2-OD2 2.73Å; R885-D1075 PolarHBondContact NH2-OD2 3Å |
| 886 | V | 90.7 | Very high | 86 | Confident | 6 Ų | 6 | 50.7 Ų | 50.7 | 4% | 0.036 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 127.2 | 174.7 | 179.7 | 0 | 0 | 0 | 0 | 108.9 | P861 V864 I866 T888 Y889 L906 | P861-V886 HydrophobicContact CB-CB 4.48Å; P861-V886 HydrophobicContact CB-CG1 4.18Å; P861-V886 WeakPolarHBondContact CB-O 3.43Å; V864-V886 HydrophobicContact CB-CB 4.23Å; V864-V886 HydrophobicContact CB-CG2 3.89Å; V864-V886 HydrophobicContact CG1-CG2 3.74Å; V864-V886 WeakPolarHBondContact O-CG2 3.44Å; I866-V886 HydrophobicContact CD1-CG2 4.09Å; I866-V886 HydrophobicContact CG1-CG2 3.76Å; V886-T888 VanDerWaalsContact CG1-O 3.27Å; V886-T888 WeakPolarHBondContact CG1-O 3.35Å; V886-Y889 HydrophobicContact CG1-CD1 4.35Å; V886-L906 HydrophobicContact CB-CD2 4.47Å; V886-L906 HydrophobicContact CG1-CB 4.41Å; V886-L906 HydrophobicContact CG1-CD2 3.73Å; V886-L906 HydrophobicContact CG2-CD2 3.9Å |
| 887 | R | 88.2 | Confident | 86.3 | Confident | 96 Ų | 96 | 54 Ų | 54 | 36% | 0.362 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | -47 | 175.5 | 176.3 | 175.5 | 175.3 | 166.9 | 0.3 | 111.3 | V907 Q909 T1051 | R887-V907 PolarHBondContact N-O 3.18Å; R887-Q909 HydrophobicContact CB-CB 4.19Å; R887-T1051 VanDerWaalsContact CZ-OG1 3.28Å; R887-T1051 PolarHBondContact NH1-OG1 3.25Å; R887-T1051 PolarHBondContact NH2-OG1 2.77Å |
| 888 | T | 92.2 | Very high | 87 | Confident | 45 Ų | 45 | 51.9 Ų | 51.9 | 28% | 0.276 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 173.6 | 178.3 | -169.8 | 0 | 0 | 0 | 0 | 109.3 | V886 V907 L1044 | V886-T888 VanDerWaalsContact CG1-O 3.27Å; V886-T888 WeakPolarHBondContact CG1-O 3.35Å; T888-V907 HydrophobicContact CG2-CB 3.94Å; T888-V907 HydrophobicContact CG2-CG2 4.14Å; T888-V907 PolarHBondContact N-O 2.62Å; T888-V907 PolarHBondContact O-N 2.84Å; T888-L1044 HydrophobicContact CG2-CD2 3.88Å |
| 889 | Y | 93 | Very high | 87.5 | Confident | 39 Ų | 39 | 54.9 Ų | 54.9 | 15% | 0.153 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 165.9 | 171.4 | 59.7 | -98.8 | 0 | 0 | 0 | 110.9 | L852 Y858 M859 P861 V886 T891 L905 L906 | L852-Y889 HydrophobicContact CB-CE2 4.45Å; L852-Y889 HydrophobicContact CD1-CD1 4.07Å; L852-Y889 HydrophobicContact CD1-CD2 3.56Å; L852-Y889 HydrophobicContact CD1-CE1 4.22Å; L852-Y889 HydrophobicContact CD1-CE2 3.74Å; L852-Y889 HydrophobicContact CD1-CG 3.74Å; Y858-Y889 WeakPolarHBondContact CB-OH 3.42Å; Y858-Y889 HydrophobicContact CD1-CE2 4.24Å; M859-Y889 PolarHBondContact N-OH 3.06Å; M859-Y889 VanDerWaalsContact O-CE1 3.3Å; M859-Y889 WeakPolarHBondContact O-CE1 3.4Å; M859-Y889 PolarHBondContact O-OH 3.25Å; P861-Y889 HydrophobicContact CG-CD1 4.18Å; P861-Y889 HydrophobicContact CG-CE1 4.06Å; V886-Y889 HydrophobicContact CG1-CD1 4.35Å; Y889-T891 HydrophobicContact CD2-CG2 4.25Å; Y889-T891 HydrophobicContact CE2-CG2 4.42Å; Y889-L905 CarbonylContact C-O 3.58Å; Y889-L905 VanDerWaalsContact CA-O 3.24Å; Y889-L905 WeakPolarHBondContact CA-O 3.22Å; Y889-L905 WeakPolarHBondContact CB-O 3.34Å; Y889-L906 HydrophobicContact CD1-CD2 4.22Å; Y889-L906 HydrophobicContact CG-CD2 4.29Å |
| 890 | T | 93.5 | Very high | 88.3 | Confident | 30 Ų | 30 | 55.9 Ų | 55.9 | 18% | 0.184 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 150.9 | 172.2 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | A904 L905 W1036 E1040 L1044 | T890-A904 WeakPolarHBondContact O-CA 3.2Å; T890-L905 HydrophobicContact CG2-CB 3.95Å; T890-L905 PolarHBondContact N-O 3.38Å; T890-L905 PolarHBondContact O-N 3.5Å; T890-W1036 HydrophobicContact CG2-CH2 4.25Å; T890-W1036 HydrophobicContact CG2-CZ2 3.89Å; T890-E1040 HydrophobicContact CG2-CB 3.91Å; T890-E1040 HydrophobicContact CG2-CG 4Å; T890-L1044 HydrophobicContact CG2-CD1 3.85Å |
| 891 | T | 92.6 | Very high | 89.2 | Confident | 32 Ų | 32 | 56.8 Ų | 56.8 | 20% | 0.196 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 166.8 | 174.1 | 72.3 | 0 | 0 | 0 | 0 | 108.1 | A849 Y858 Y889 A904 | A849-T891 HydrophobicContact CB-CG2 4.1Å; Y858-T891 HydrophobicContact CE1-CG2 4Å; Y858-T891 PolarHBondContact OH-OG1 3.29Å; Y889-T891 HydrophobicContact CD2-CG2 4.25Å; Y889-T891 HydrophobicContact CE2-CG2 4.42Å; T891-A904 HydrophobicContact CG2-CB 3.82Å |
| 892 | T | 87.8 | Confident | 89.6 | Confident | 29 Ų | 29 | 54.9 Ų | 54.9 | 18% | 0.178 | 28% | 0.281 | C | S | . | . | trans | -117.8 | 81.1 | -178.8 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | Y894 N901 I903 Y1033 W1036 | T892-Y894 VanDerWaalsContact C-N 3.29Å; T892-Y894 PolarHBondContact O-N 3Å; T892-Y894 VanDerWaalsContact O-N 3.17Å; T892-N901 HydrophobicContact CG2-CB 4.04Å; T892-N901 WeakPolarHBondContact O-CB 3.48Å; T892-N901 PolarHBondContact O-ND2 2.99Å; T892-I903 HydrophobicContact CG2-CG2 3.39Å; T892-Y1033 HydrophobicContact CG2-CD1 3.89Å; T892-Y1033 HydrophobicContact CG2-CE1 3.92Å; T892-W1036 HydrophobicContact CG2-CD2 4.21Å; T892-W1036 HydrophobicContact CG2-CE3 4.48Å; T892-W1036 HydrophobicContact CG2-CH2 4.4Å; T892-W1036 HydrophobicContact CG2-CZ2 4.12Å | ||
| 893 | N | 89 | Confident | 90.3 | Very high | 144 Ų | 144 | 52.4 Ų | 52.4 | 77% | 0.77 | 26% | 0.264 | S | S | * | . | trans | 45.3 | 51.8 | 175.2 | -65.3 | -8.1 | 0 | 0 | 0 | 113 | N895 N901 | N893-N895 PolarHBondContact O-N 2.78Å; N893-N901 PolarHBondContact O-ND2 3.27Å; N893-N901 VanDerWaalsContact O-ND2 3.14Å | ||
| 894 | Y | 92.1 | Very high | 90.7 | Very high | 25 Ų | 25 | 47.3 Ų | 47.3 | 10% | 0.098 | 24% | 0.244 | C | C | . | . | trans | -61.7 | 126.4 | 177.5 | 169.1 | -111.4 | 0 | 0 | 0 | 110.1 | A849 H850 L853 T892 K899 D900 D902 | A849-Y894 HydrophobicContact CB-CD1 4.22Å; A849-Y894 HydrophobicContact CB-CD2 4.1Å; A849-Y894 HydrophobicContact CB-CG 3.7Å; H850-Y894 HydrophobicContact CB-CE1 3.85Å; H850-Y894 HydrophobicContact CB-CE2 4.31Å; H850-Y894 VanDerWaalsContact CB-OH 3.28Å; H850-Y894 WeakPolarHBondContact CB-OH 3.47Å; L853-Y894 HydrophobicContact CD2-CD1 4.21Å; L853-Y894 HydrophobicContact CD2-CE1 3.94Å; T892-Y894 VanDerWaalsContact C-N 3.29Å; T892-Y894 PolarHBondContact O-N 3Å; T892-Y894 VanDerWaalsContact O-N 3.17Å; Y894-K899 VanDerWaalsContact OH-CD 3.3Å; Y894-K899 WeakPolarHBondContact OH-CD 3.48Å; Y894-D900 WeakPolarHBondContact CD2-O 3.41Å; Y894-D902 HydrophobicContact CD2-CB 3.81Å; Y894-D902 HydrophobicContact CE2-CB 3.62Å | ||
| 895 | N | 90.9 | Very high | 91.2 | Very high | 66 Ų | 66 | 46.8 Ų | 46.8 | 35% | 0.353 | 24% | 0.241 | S | C | . | . | trans | -104.1 | 116.5 | 178.2 | 177.3 | -58 | 0 | 0 | 0 | 109.4 | N893 D897 T898 K899 D900 | N893-N895 PolarHBondContact O-N 2.78Å; N895-D897 PolarHBondContact O-N 2.9Å; N895-D897 PolarHBondContact OD1-N 3.13Å; N895-T898 WeakPolarHBondContact CB-OG1 3.38Å; N895-T898 WeakPolarHBondContact OD1-CB 3.27Å; N895-T898 PolarHBondContact OD1-N 3.23Å; N895-T898 PolarHBondContact OD1-OG1 2.87Å; N895-K899 VanDerWaalsContact O-CA 3.28Å; N895-K899 WeakPolarHBondContact O-CA 3.45Å; N895-K899 PolarHBondContact O-N 3.33Å; N895-D900 PolarHBondContact N-O 3.46Å; N895-D900 VanDerWaalsContact N-O 3.12Å | ||
| 896 | S | 88 | Confident | 91.6 | Very high | 53 Ų | 53 | 43.4 Ų | 43.4 | 37% | 0.371 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -26.6 | -174.9 | 50.5 | 0 | 0 | 0 | 0 | 114.2 | K899 | S896-K899 WeakPolarHBondContact O-CD 3.12Å; S896-K899 VanDerWaalsContact O-CE 3.27Å; S896-K899 WeakPolarHBondContact O-CE 3.28Å; S896-K899 PolarHBondContact O-NZ 3.45Å |
| 897 | D | 85.3 | Confident | 91.6 | Very high | 139 Ų | 139 | 43.1 Ų | 43.1 | 74% | 0.743 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -42.3 | -167.8 | -49.5 | -21 | 0 | 0 | 0 | 109.7 | N895 | N895-D897 PolarHBondContact O-N 2.9Å; N895-D897 PolarHBondContact OD1-N 3.13Å |
| 898 | T | 87.2 | Confident | 91.7 | Very high | 45 Ų | 45 | 38.7 Ų | 38.7 | 28% | 0.276 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -23.5 | 177.1 | 59.9 | 0 | 0 | 0 | 0 | 113.3 | N895 D900 K973 | N895-T898 WeakPolarHBondContact CB-OG1 3.38Å; N895-T898 WeakPolarHBondContact OD1-CB 3.27Å; N895-T898 PolarHBondContact OD1-N 3.23Å; N895-T898 PolarHBondContact OD1-OG1 2.87Å; T898-D900 WeakPolarHBondContact CB-OD2 3.47Å; T898-D900 PolarHBondContact O-N 2.84Å; T898-D900 WeakPolarHBondContact OG1-CB 3.4Å; T898-D900 PolarHBondContact OG1-N 3.17Å; T898-D900 PolarHBondContact OG1-OD2 3.2Å; T898-K973 VanDerWaalsContact CB-NZ 3.27Å; T898-K973 PolarHBondContact O-NZ 3.37Å |
| 899 | K | 90.4 | Very high | 91.3 | Very high | 71 Ų | 71 | 40.6 Ų | 40.6 | 31% | 0.309 | 22% | 0.216 | S | C | . | . | trans | 63.5 | 13.9 | -166.5 | -46.7 | -57.1 | -179.2 | -168.3 | 0 | 114.3 | Y894 N895 S896 M977 F1014 | Y894-K899 VanDerWaalsContact OH-CD 3.3Å; Y894-K899 WeakPolarHBondContact OH-CD 3.48Å; N895-K899 VanDerWaalsContact O-CA 3.28Å; N895-K899 WeakPolarHBondContact O-CA 3.45Å; N895-K899 PolarHBondContact O-N 3.33Å; S896-K899 WeakPolarHBondContact O-CD 3.12Å; S896-K899 VanDerWaalsContact O-CE 3.27Å; S896-K899 WeakPolarHBondContact O-CE 3.28Å; S896-K899 PolarHBondContact O-NZ 3.45Å; K899-M977 WeakPolarHBondContact O-CE 3.35Å; K899-F1014 HydrophobicContact CB-CD1 3.62Å; K899-F1014 HydrophobicContact CB-CE1 3.61Å; K899-F1014 HydrophobicContact CB-CG 4.48Å; K899-F1014 HydrophobicContact CB-CZ 4.46Å; K899-F1014 HydrophobicContact CG-CD1 3.73Å; K899-F1014 HydrophobicContact CG-CE1 3.99Å; K899-F1014 HydrophobicContact CG-CG 4.11Å | ||
| 900 | D | 89.8 | Confident | 90.7 | Very high | 42 Ų | 42 | 44.6 Ų | 44.6 | 23% | 0.225 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 144.6 | 177.7 | -59.1 | -15.4 | 0 | 0 | 0 | 109.6 | Y894 N895 T898 D902 K973 M977 | Y894-D900 WeakPolarHBondContact CD2-O 3.41Å; N895-D900 PolarHBondContact N-O 3.46Å; N895-D900 VanDerWaalsContact N-O 3.12Å; T898-D900 WeakPolarHBondContact CB-OD2 3.47Å; T898-D900 PolarHBondContact O-N 2.84Å; T898-D900 WeakPolarHBondContact OG1-CB 3.4Å; T898-D900 PolarHBondContact OG1-N 3.17Å; T898-D900 PolarHBondContact OG1-OD2 3.2Å; D900-D902 PolarHBondContact O-N 3.07Å; D900-K973 VanDerWaalsContact OD1-CD 3.27Å; D900-K973 WeakPolarHBondContact OD1-CD 3.32Å; D900-K973 WeakPolarHBondContact OD1-CE 3.37Å; D900-K973 IonicContact OD1-NZ 3.76Å; D900-K973 PolarHBondContact OD1-NZ 2.93Å; D900-K973 VanDerWaalsContact OD1-NZ 3.09Å; D900-K973 IonicContact OD2-NZ 3.6Å; D900-M977 WeakPolarHBondContact OD1-CE 3.26Å |
| 901 | N | 92.9 | Very high | 90.1 | Very high | 48 Ų | 48 | 49.4 Ų | 49.4 | 26% | 0.257 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | 37 | -177 | -46.2 | -48.5 | 0 | 0 | 0 | 116.1 | T892 N893 I903 Y1033 | T892-N901 HydrophobicContact CG2-CB 4.04Å; T892-N901 WeakPolarHBondContact O-CB 3.48Å; T892-N901 PolarHBondContact O-ND2 2.99Å; N893-N901 PolarHBondContact O-ND2 3.27Å; N893-N901 VanDerWaalsContact O-ND2 3.14Å; N901-I903 VanDerWaalsContact C-N 3.26Å; N901-I903 PolarHBondContact O-N 3.21Å; N901-Y1033 WeakPolarHBondContact CA-OH 3.25Å; N901-Y1033 HydrophobicContact CB-CE1 4.44Å; N901-Y1033 PolarHBondContact OD1-OH 3.03Å |
| 902 | D | 95.9 | Very high | 89.7 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | trans | -75.4 | 71.7 | 178.9 | -166.8 | 19.1 | 0 | 0 | 0 | 113.3 | A849 H850 Y894 D900 S1013 T1028 | A849-D902 WeakPolarHBondContact CA-OD1 3.37Å; A849-D902 PolarHBondContact N-OD1 2.88Å; H850-D902 IonicContact CE1-OD2 2.98Å; H850-D902 IonicContact CG-OD1 2.79Å; H850-D902 IonicContact CG-OD2 4Å; H850-D902 PolarHBondContact N-OD1 2.89Å; H850-D902 IonicContact ND1-OD1 3.16Å; H850-D902 PolarHBondContact ND1-OD1 2.93Å; H850-D902 IonicContact ND1-OD2 2.65Å; H850-D902 PolarHBondContact ND1-OD2 3.01Å; Y894-D902 HydrophobicContact CD2-CB 3.81Å; Y894-D902 HydrophobicContact CE2-CB 3.62Å; D900-D902 PolarHBondContact O-N 3.07Å; D902-S1013 WeakPolarHBondContact CB-OG 3.41Å; D902-S1013 WeakPolarHBondContact OD2-CB 3.42Å; D902-S1013 PolarHBondContact OD2-OG 3.33Å; D902-T1028 PolarHBondContact O-OG1 3.03Å | ||
| 903 | I | 96.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -148.7 | 136.3 | -177.5 | -171.2 | 168.2 | 0 | 0 | 0 | 111.3 | L846 T892 N901 I1011 T1028 Y1033 W1036 M1037 | L846-I903 HydrophobicContact CD1-CD1 3.96Å; L846-I903 HydrophobicContact CD1-CG1 3.73Å; T892-I903 HydrophobicContact CG2-CG2 3.39Å; N901-I903 VanDerWaalsContact C-N 3.26Å; N901-I903 PolarHBondContact O-N 3.21Å; I903-I1011 HydrophobicContact CB-CD1 4.26Å; I903-I1011 HydrophobicContact CD1-CD1 3.71Å; I903-I1011 HydrophobicContact CG1-CD1 3.58Å; I903-T1028 HydrophobicContact CB-CG2 4.13Å; I903-Y1033 HydrophobicContact CD1-CD2 3.89Å; I903-Y1033 HydrophobicContact CD1-CG 3.85Å; I903-Y1033 HydrophobicContact CG2-CD1 3.85Å; I903-Y1033 HydrophobicContact CG2-CD2 4.35Å; I903-Y1033 HydrophobicContact CG2-CE1 4.01Å; I903-Y1033 HydrophobicContact CG2-CG 4.04Å; I903-W1036 HydrophobicContact CD1-CZ3 4.23Å; I903-W1036 HydrophobicContact CG1-CZ3 4.06Å; I903-W1036 HydrophobicContact CG2-CH2 4.49Å; I903-W1036 HydrophobicContact CG2-CZ3 4.15Å; I903-M1037 HydrophobicContact CD1-SD 4.25Å | ||
| 904 | A | 96.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 134.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | T847 A849 L852 T890 T891 | T847-A904 HydrophobicContact CG2-CB 4.06Å; T847-A904 PolarHBondContact N-O 3.49Å; T847-A904 PolarHBondContact O-N 3.23Å; A849-A904 HydrophobicContact CB-CB 4.46Å; L852-A904 HydrophobicContact CD1-CB 3.73Å; T890-A904 WeakPolarHBondContact O-CA 3.2Å; T891-A904 HydrophobicContact CG2-CB 3.82Å |
| 905 | L | 95.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 109.5 | 174.1 | -178 | 64.8 | 0 | 0 | 0 | 109 | V833 L835 F844 Y889 T890 W1036 E1040 A1041 | V833-L905 HydrophobicContact CG2-CD1 4.43Å; L835-L905 HydrophobicContact CD1-CD1 3.62Å; L835-L905 HydrophobicContact CD1-CD2 3.85Å; L835-L905 HydrophobicContact CD1-CG 4.41Å; F844-L905 HydrophobicContact CB-CD1 4.08Å; F844-L905 HydrophobicContact CD1-CD1 4.01Å; F844-L905 HydrophobicContact CD1-CD2 4.22Å; F844-L905 HydrophobicContact CD1-CG 4.2Å; F844-L905 HydrophobicContact CG-CD1 4.42Å; Y889-L905 CarbonylContact C-O 3.58Å; Y889-L905 VanDerWaalsContact CA-O 3.24Å; Y889-L905 WeakPolarHBondContact CA-O 3.22Å; Y889-L905 WeakPolarHBondContact CB-O 3.34Å; T890-L905 HydrophobicContact CG2-CB 3.95Å; T890-L905 PolarHBondContact N-O 3.38Å; T890-L905 PolarHBondContact O-N 3.5Å; L905-W1036 HydrophobicContact CB-CH2 4.03Å; L905-W1036 HydrophobicContact CB-CZ3 4.29Å; L905-E1040 HydrophobicContact CD2-CB 4.2Å; L905-A1041 HydrophobicContact CD2-CB 4.29Å |
| 906 | L | 94.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 138.8 | 177 | -61.7 | 144.9 | 0 | 0 | 0 | 110 | F844 V845 T847 L852 V864 I866 V886 Y889 | F844-L906 WeakPolarHBondContact CA-O 3.26Å; V845-L906 HydrophobicContact CB-CB 4.1Å; V845-L906 HydrophobicContact CB-CD1 4Å; V845-L906 HydrophobicContact CG1-CD1 3.85Å; V845-L906 PolarHBondContact N-O 2.97Å; V845-L906 WeakPolarHBondContact O-CB 3.31Å; V845-L906 PolarHBondContact O-N 3.45Å; T847-L906 HydrophobicContact CG2-CD1 3.51Å; T847-L906 HydrophobicContact CG2-CG 4.27Å; L852-L906 HydrophobicContact CD1-CD2 4.06Å; L852-L906 HydrophobicContact CD2-CD2 4.13Å; V864-L906 HydrophobicContact CG1-CD2 4.24Å; I866-L906 HydrophobicContact CD1-CD1 4.07Å; V886-L906 HydrophobicContact CB-CD2 4.47Å; V886-L906 HydrophobicContact CG1-CB 4.41Å; V886-L906 HydrophobicContact CG1-CD2 3.73Å; V886-L906 HydrophobicContact CG2-CD2 3.9Å; Y889-L906 HydrophobicContact CD1-CD2 4.22Å; Y889-L906 HydrophobicContact CG-CD2 4.29Å |
| 907 | V | 91.7 | Very high | 88.5 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 118.8 | 171.1 | -176 | 0 | 0 | 0 | 0 | 108.7 | V843 F844 R887 T888 L1044 V1048 | V843-V907 HydrophobicContact CB-CG1 4.46Å; V843-V907 HydrophobicContact CG2-CG1 4.37Å; V843-V907 WeakPolarHBondContact O-CA 3.26Å; F844-V907 HydrophobicContact CD1-CG2 4.35Å; F844-V907 HydrophobicContact CE1-CG2 4.14Å; R887-V907 PolarHBondContact N-O 3.18Å; T888-V907 HydrophobicContact CG2-CB 3.94Å; T888-V907 HydrophobicContact CG2-CG2 4.14Å; T888-V907 PolarHBondContact N-O 2.62Å; T888-V907 PolarHBondContact O-N 2.84Å; V907-L1044 HydrophobicContact CG2-CB 3.96Å; V907-L1044 HydrophobicContact CG2-CD1 3.68Å; V907-L1044 HydrophobicContact CG2-CD2 4.33Å; V907-L1044 HydrophobicContact CG2-CG 4.2Å; V907-V1048 HydrophobicContact CG1-CG2 4.19Å |
| 908 | L | 89.6 | Confident | 88.7 | Confident | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 147.5 | 177.8 | -59.4 | 179.2 | 0 | 0 | 0 | 111.4 | V843 V845 I866 V884 Y910 I912 | V843-L908 WeakPolarHBondContact O-CG 3.31Å; V843-L908 PolarHBondContact O-N 2.76Å; V845-L908 HydrophobicContact CG2-CD1 4.04Å; V845-L908 HydrophobicContact CG2-CD2 3.95Å; V845-L908 HydrophobicContact CG2-CG 4.11Å; I866-L908 HydrophobicContact CB-CD2 4.18Å; I866-L908 HydrophobicContact CG1-CD2 3.71Å; V884-L908 HydrophobicContact CB-CD2 4.25Å; V884-L908 HydrophobicContact CG1-CB 3.88Å; V884-L908 HydrophobicContact CG1-CD1 4.2Å; V884-L908 HydrophobicContact CG1-CD2 4.08Å; V884-L908 HydrophobicContact CG1-CG 4.28Å; L908-Y910 VanDerWaalsContact C-N 3.26Å; L908-Y910 VanDerWaalsContact CB-O 3.26Å; L908-Y910 WeakPolarHBondContact CB-O 3.21Å; L908-Y910 PolarHBondContact O-N 3.38Å; L908-I912 HydrophobicContact CD1-CD1 3.4Å; L908-I912 HydrophobicContact CD1-CG1 3.75Å |
| 909 | Q | 82.8 | Confident | 88.9 | Confident | 84 Ų | 84 | 35.6 Ų | 35.6 | 39% | 0.393 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | -30.5 | 173.5 | -172.4 | 175.8 | 3.2 | 0 | 0 | 112.4 | R885 R887 | R885-Q909 WeakPolarHBondContact O-CB 3.4Å; R885-Q909 PolarHBondContact O-N 3.21Å; R887-Q909 HydrophobicContact CB-CB 4.19Å |
| 910 | Y | 80.9 | Confident | 89.1 | Confident | 123 Ų | 123 | 32.2 Ų | 32.2 | 48% | 0.482 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 148.4 | 178.7 | -55.4 | -71.5 | 0 | 0 | 0 | 110.3 | L908 Y1072 | L908-Y910 VanDerWaalsContact C-N 3.26Å; L908-Y910 VanDerWaalsContact CB-O 3.26Å; L908-Y910 WeakPolarHBondContact CB-O 3.21Å; L908-Y910 PolarHBondContact O-N 3.38Å; Y910-Y1072 PolarHBondContact OH-OH 3.3Å |
| 911 | R | 81.5 | Confident | 89.4 | Confident | 131 Ų | 131 | 30.3 Ų | 30.3 | 49% | 0.494 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 134.7 | 173.8 | -55.5 | -171.2 | 173.6 | -145.1 | -3.3 | 109.2 | A841 T842 V843 P913 | A841-R911 HydrophobicContact CB-CB 4.04Å; T842-R911 CarbonylContact O-C 3.51Å; T842-R911 WeakPolarHBondContact O-CA 3.33Å; V843-R911 HydrophobicContact CG1-CB 4.31Å; V843-R911 HydrophobicContact CG1-CG 3.63Å; R911-P913 WeakPolarHBondContact O-CD 3.38Å |
| 912 | I | 84.3 | Confident | 89.5 | Confident | 6 Ų | 6 | 28.1 Ų | 28.1 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 111.7 | 164.8 | -67.4 | 172.6 | 0 | 0 | 0 | 107.3 | L832 A841 T842 A868 V884 L908 A918 | L832-I912 HydrophobicContact CD1-CG2 4.31Å; L832-I912 HydrophobicContact CD2-CD1 3.71Å; A841-I912 CarbonylContact C-O 3.45Å; A841-I912 WeakPolarHBondContact CA-O 3.26Å; A841-I912 WeakPolarHBondContact CB-O 3.43Å; T842-I912 PolarHBondContact N-O 2.91Å; T842-I912 PolarHBondContact O-N 2.9Å; A868-I912 HydrophobicContact CB-CD1 3.79Å; V884-I912 HydrophobicContact CG2-CD1 3.91Å; V884-I912 HydrophobicContact CG2-CG1 3.78Å; L908-I912 HydrophobicContact CD1-CD1 3.4Å; L908-I912 HydrophobicContact CD1-CG1 3.75Å; I912-A918 HydrophobicContact CG2-CB 3.7Å |
| 913 | P | 83.5 | Confident | 89.4 | Confident | 92 Ų | 92 | 29.5 Ų | 29.5 | 60% | 0.597 | 14% | 0.14 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 140.4 | 172.6 | -16.4 | 32.3 | 0 | 0 | 0 | 109.7 | R911 | R911-P913 WeakPolarHBondContact O-CD 3.38Å |
| 914 | Y | 87 | Confident | 89.2 | Confident | 14 Ų | 14 | 29.6 Ų | 29.6 | 6% | 0.055 | 14% | 0.14 | C | C | . | . | trans | -69.3 | 135.9 | 174.9 | -60.6 | -15.2 | 0 | 0 | 0 | 109.7 | Y781 Q834 S839 N840 A841 T842 A918 P920 | Y781-Y914 VanDerWaalsContact CE2-O 3.3Å; Y781-Y914 WeakPolarHBondContact CE2-O 3.4Å; Q834-Y914 WeakPolarHBondContact CG-OH 3.27Å; Q834-Y914 PolarHBondContact OE1-OH 3.22Å; S839-Y914 WeakPolarHBondContact O-CE2 3.4Å; N840-Y914 VanDerWaalsContact C-CD2 3.44Å; N840-Y914 WeakPolarHBondContact O-CB 3.18Å; N840-Y914 PolarHBondContact O-N 3.04Å; A841-Y914 VanDerWaalsContact C-CZ 3.49Å; A841-Y914 PolarHBondContact O-OH 2.71Å; T842-Y914 HydrophobicContact CG2-CE1 3.95Å; T842-Y914 VanDerWaalsContact N-CE1 3.32Å; Y914-A918 CarbonylContact C-O 3.43Å; Y914-A918 VanDerWaalsContact CA-O 3.28Å; Y914-A918 WeakPolarHBondContact CA-O 3.43Å; Y914-P920 HydrophobicContact CE1-CG 4.02Å; Y914-P920 HydrophobicContact CE2-CG 3.89Å | ||
| 915 | S | 81.7 | Confident | 88.8 | Confident | 35 Ų | 35 | 35.7 Ų | 35.7 | 25% | 0.245 | 17% | 0.17 | C | C | . | . | trans | -144.6 | -170.9 | -176.1 | 61.2 | 0 | 0 | 0 | 0 | 109.5 | Y917 A918 R919 | S915-Y917 PolarHBondContact O-N 2.69Å; S915-Y917 PolarHBondContact OG-N 3.19Å; S915-A918 PolarHBondContact N-O 2.9Å; S915-A918 PolarHBondContact OG-N 3.15Å; S915-A918 VanDerWaalsContact OG-N 3.08Å; S915-R919 WeakPolarHBondContact O-CG 3.13Å; S915-R919 PolarHBondContact O-NE 3.29Å | ||
| 916 | E | 80.3 | Confident | 88.4 | Confident | 48 Ų | 48 | 40 Ų | 40 | 22% | 0.224 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -68.2 | -22.7 | 169.1 | -64.8 | -162.2 | 128.8 | 0 | 0 | 113 | R457 A787 F788 | R457-E916 IonicContact NH1-OE1 2.7Å; A787-E916 HydrophobicContact CB-CB 3.54Å; A787-E916 HydrophobicContact CB-CG 3.77Å; A787-E916 WeakPolarHBondContact CB-O 3.27Å; F788-E916 HydrophobicContact CE2-CB 3.92Å; F788-E916 HydrophobicContact CZ-CB 4.17Å |
| 917 | Y | 89.4 | Confident | 87.9 | Confident | 26 Ų | 26 | 44.8 Ų | 44.8 | 10% | 0.102 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -100.9 | -26.2 | -171.8 | -48.3 | -77.2 | 0 | 0 | 0 | 114 | P441 F788 H808 P811 G869 I879 S915 | P441-Y917 PolarHBondContact O-OH 2.85Å; F788-Y917 HydrophobicContact CE2-CD1 4.2Å; F788-Y917 HydrophobicContact CE2-CE1 4.24Å; F788-Y917 HydrophobicContact CZ-CE1 4.11Å; H808-Y917 HydrophobicContact CB-CD1 3.84Å; H808-Y917 AromaticContact CD2-CD1 3.66Å; H808-Y917 AromaticContact CD2-CE1 3.74Å; H808-Y917 AromaticContact CE1-CD1 3.83Å; H808-Y917 AromaticContact CG-CD1 3.47Å; H808-Y917 VanDerWaalsContact CG-CD1 3.47Å; H808-Y917 AromaticContact ND1-CD1 3.58Å; H808-Y917 AromaticContact NE2-CD1 3.9Å; H808-Y917 AromaticContact NE2-CE1 3.85Å; P811-Y917 VanDerWaalsContact CA-O 3.3Å; P811-Y917 WeakPolarHBondContact CA-O 3.43Å; P811-Y917 VanDerWaalsContact CB-O 3.24Å; P811-Y917 WeakPolarHBondContact CB-O 3.34Å; G869-Y917 WeakPolarHBondContact CA-O 3.23Å; I879-Y917 HydrophobicContact CG2-CE1 4.37Å; I879-Y917 HydrophobicContact CG2-CE2 3.88Å; I879-Y917 WeakPolarHBondContact CG2-OH 3.41Å; S915-Y917 PolarHBondContact O-N 2.69Å; S915-Y917 PolarHBondContact OG-N 3.19Å |
| 918 | A | 90.5 | Very high | 87.6 | Confident | 4 Ų | 4 | 45.7 Ų | 45.7 | 3% | 0.033 | 23% | 0.228 | C | C | . | . | trans | -131.3 | 117.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | P811 L832 I912 Y914 S915 | P811-A918 VanDerWaalsContact O-CA 3.3Å; P811-A918 WeakPolarHBondContact O-CA 3.07Å; L832-A918 HydrophobicContact CD1-CB 3.94Å; I912-A918 HydrophobicContact CG2-CB 3.7Å; Y914-A918 CarbonylContact C-O 3.43Å; Y914-A918 VanDerWaalsContact CA-O 3.28Å; Y914-A918 WeakPolarHBondContact CA-O 3.43Å; S915-A918 PolarHBondContact N-O 2.9Å; S915-A918 PolarHBondContact OG-N 3.15Å; S915-A918 VanDerWaalsContact OG-N 3.08Å | ||
| 919 | R | 91.3 | Very high | 87.4 | Confident | 19 Ų | 19 | 49.9 Ų | 49.9 | 7% | 0.072 | 26% | 0.257 | C | S | . | . | trans | -150.9 | 154 | -179.7 | -63.4 | -173.9 | -176.4 | 176.1 | 2.1 | 110.3 | Y781 V785 P811 W812 S915 | Y781-R919 VanDerWaalsContact CD1-NH2 3.28Å; V785-R919 WeakPolarHBondContact O-CD 3.36Å; V785-R919 PolarHBondContact O-NH1 3.17Å; P811-R919 CarbonylContact C-O 3.55Å; P811-R919 HydrophobicContact CB-CB 4.15Å; P811-R919 HydrophobicContact CB-CG 4.33Å; P811-R919 HydrophobicContact CG-CB 3.93Å; P811-R919 HydrophobicContact CG-CG 4.26Å; P811-R919 PolarHBondContact O-N 3.27Å; W812-R919 WeakPolarHBondContact CA-O 3.07Å; W812-R919 WeakPolarHBondContact CB-O 3.35Å; W812-R919 PolarHBondContact N-O 3.13Å; S915-R919 WeakPolarHBondContact O-CG 3.13Å; S915-R919 PolarHBondContact O-NE 3.29Å | ||
| 920 | P | 94.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -76.3 | 149.9 | 178.4 | 32.4 | -32.8 | 0 | 0 | 0 | 111.5 | C783 G784 L832 Q834 Y914 | C783-P920 CarbonylContact C-O 3.46Å; C783-P920 WeakPolarHBondContact CA-O 3.49Å; C783-P920 HydrophobicContact CB-CG 4.2Å; G784-P920 PolarHBondContact N-O 3.2Å; L832-P920 CarbonylContact O-C 3.57Å; L832-P920 VanDerWaalsContact O-CA 3.28Å; L832-P920 WeakPolarHBondContact O-CA 3.49Å; Q834-P920 HydrophobicContact CB-CB 3.79Å; Q834-P920 HydrophobicContact CB-CG 3.94Å; Y914-P920 HydrophobicContact CE1-CG 4.02Å; Y914-P920 HydrophobicContact CE2-CG 3.89Å |
| 921 | V | 95.7 | Very high | 88.1 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -83.4 | 152.3 | 162.7 | 68.4 | 0 | 0 | 0 | 0 | 109.8 | W812 L832 V833 V999 Y1006 Q1008 | W812-V921 HydrophobicContact CB-CB 3.82Å; W812-V921 HydrophobicContact CB-CG1 4.36Å; W812-V921 HydrophobicContact CD2-CB 3.91Å; W812-V921 HydrophobicContact CD2-CG2 4.17Å; W812-V921 HydrophobicContact CE3-CB 4.24Å; W812-V921 HydrophobicContact CG-CB 3.7Å; W812-V921 HydrophobicContact CG-CG2 4.32Å; L832-V921 PolarHBondContact O-N 3.06Å; V833-V921 HydrophobicContact CG1-CG1 4.19Å; V921-V999 HydrophobicContact CG2-CG1 3.87Å; V921-Y1006 VanDerWaalsContact CG2-O 3.28Å; V921-Y1006 WeakPolarHBondContact CG2-O 3.34Å; V921-Q1008 HydrophobicContact CG1-CB 3.73Å; V921-Q1008 VanDerWaalsContact CG1-OE1 3.24Å; V921-Q1008 HydrophobicContact CG2-CB 4.02Å |
| 922 | C | 94.7 | Very high | 88.5 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.014 | 23% | 0.229 | C | C | . | . | B | Isolated β-bridge | trans | -73.4 | 149.2 | 172.2 | -61.3 | 0 | 0 | 0 | 0 | 110.9 | C783 Y1006 Y1007 Q1008 | C783-C922 HydrophobicContact CB-CB 3.99Å; C783-C922 WeakPolarHBondContact CB-SG 3.29Å; C783-C922 PolarHBondContact O-SG 3.24Å; C783-C922 WeakPolarHBondContact SG-CA 3.4Å; C783-C922 WeakPolarHBondContact SG-CB 3.32Å; C783-C922 CovalentContact SG-SG 2.05Å; C783-C922 PolarHBondContact SG-SG 3.45Å; C922-Y1006 WeakPolarHBondContact CB-O 3.33Å; C922-Y1006 PolarHBondContact N-O 2.87Å; C922-Y1006 VanDerWaalsContact N-O 3.1Å; C922-Y1007 HydrophobicContact CB-CD1 3.49Å; C922-Y1007 VanDerWaalsContact CB-CD1 3.49Å; C922-Y1007 HydrophobicContact CB-CD2 4.24Å; C922-Y1007 HydrophobicContact CB-CE1 3.57Å; C922-Y1007 HydrophobicContact CB-CE2 4.31Å; C922-Y1007 HydrophobicContact CB-CG 3.84Å; C922-Y1007 CarbonylContact O-C 3.58Å; C922-Y1007 WeakPolarHBondContact O-CA 3.26Å; C922-Q1008 PolarHBondContact O-N 3.11Å |
| 923 | L | 94.5 | Very high | 88.6 | Confident | 31 Ų | 31 | 42.4 Ų | 42.4 | 16% | 0.162 | 25% | 0.248 | C | C | . | . | trans | -105.2 | 141.2 | 173.6 | -63.9 | 176.6 | 0 | 0 | 0 | 110 | V833 L835 L846 V1030 M1037 | V833-L923 HydrophobicContact CB-CD1 4.21Å; V833-L923 HydrophobicContact CG1-CD1 4.42Å; V833-L923 HydrophobicContact CG1-CD2 3.93Å; V833-L923 HydrophobicContact CG1-CG 4.38Å; L835-L923 HydrophobicContact CD2-CD1 3.48Å; L835-L923 VanDerWaalsContact CD2-CD1 3.48Å; L835-L923 HydrophobicContact CG-CD1 4.22Å; L846-L923 HydrophobicContact CD2-CD2 4.25Å; L923-V1030 HydrophobicContact CD2-CG1 3.85Å; L923-M1037 HydrophobicContact CD1-CE 3.91Å; L923-M1037 HydrophobicContact CD1-SD 4.46Å; L923-M1037 HydrophobicContact CD2-CE 4.36Å | ||
| 924 | P | 93.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | trans | -71.2 | 150.3 | 176.5 | 30 | -35.8 | 0 | 0 | 0 | 111.5 | E928 Q1008 Y1009 K1031 T1034 | P924-E928 WeakPolarHBondContact CA-OE2 3.44Å; P924-E928 WeakPolarHBondContact CB-OE2 3.14Å; P924-Q1008 WeakPolarHBondContact CD-O 2.99Å; P924-Y1009 HydrophobicContact CB-CD1 3.95Å; P924-Y1009 HydrophobicContact CB-CE1 3.76Å; P924-Y1009 HydrophobicContact CG-CD1 4.04Å; P924-Y1009 HydrophobicContact CG-CE1 4.35Å; P924-K1031 HydrophobicContact CG-CB 4.14Å; P924-T1034 PolarHBondContact O-OG1 3.34Å | ||
| 925 | M | 88.7 | Confident | 89 | Confident | 129 Ų | 129 | 43.8 Ų | 43.8 | 64% | 0.635 | 26% | 0.259 | S | S | * | . | trans | -73.5 | 147.9 | 174.2 | -65 | -177.4 | 70.3 | 0 | 0 | 110.6 | S927 E928 K1031 | M925-S927 PolarHBondContact O-N 2.96Å; M925-E928 HydrophobicContact CB-CB 4.4Å; M925-E928 PolarHBondContact N-OE2 2.9Å; M925-E928 VanDerWaalsContact N-OE2 3.14Å; M925-E928 WeakPolarHBondContact O-CB 3.26Å; M925-E928 PolarHBondContact O-N 2.86Å; M925-K1031 WeakPolarHBondContact O-CG 3.43Å | ||
| 926 | Q | 85.6 | Confident | 89.5 | Confident | 91 Ų | 91 | 42.1 Ų | 42.1 | 43% | 0.425 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -17.3 | 179.4 | -162.2 | -174.3 | 50.1 | 0 | 0 | 113.5 | K1031 S1032 N1035 | Q926-K1031 WeakPolarHBondContact O-CE 3.41Å; Q926-S1032 PolarHBondContact NE2-O 2.75Å; Q926-N1035 PolarHBondContact OE1-ND2 3.41Å; Q926-N1035 PolarHBondContact OE1-OD1 2.86Å |
| 927 | S | 84.9 | Confident | 90.1 | Very high | 100 Ų | 100 | 40.4 Ų | 40.4 | 70% | 0.699 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -16.5 | 171.9 | 50.2 | 0 | 0 | 0 | 0 | 114.1 | M925 | M925-S927 PolarHBondContact O-N 2.96Š|
| 928 | E | 84.8 | Confident | 90.3 | Very high | 20 Ų | 20 | 39.3 Ų | 39.3 | 9% | 0.093 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -76.9 | 137.4 | -166 | -170.5 | 167.3 | -171.9 | 0 | 0 | 113.3 | P924 M925 R1002 Y1009 K1031 | P924-E928 WeakPolarHBondContact CA-OE2 3.44Å; P924-E928 WeakPolarHBondContact CB-OE2 3.14Å; M925-E928 HydrophobicContact CB-CB 4.4Å; M925-E928 PolarHBondContact N-OE2 2.9Å; M925-E928 VanDerWaalsContact N-OE2 3.14Å; M925-E928 WeakPolarHBondContact O-CB 3.26Å; M925-E928 PolarHBondContact O-N 2.86Å; E928-R1002 IonicContact OE1-CZ 3.63Å; E928-R1002 IonicContact OE1-NE 3.09Å; E928-R1002 IonicContact OE1-NH1 3.75Å; E928-R1002 PolarHBondContact OE1-NH1 3.26Å; E928-R1002 IonicContact OE1-NH2 2.74Å; E928-R1002 IonicContact OE2-NH1 3.87Å; E928-Y1009 HydrophobicContact CG-CE1 4.42Å; E928-Y1009 PolarHBondContact OE1-OH 3.09Å; E928-K1031 WeakPolarHBondContact O-CD 3.35Å; E928-K1031 WeakPolarHBondContact O-CE 3.34Å; E928-K1031 PolarHBondContact O-NZ 3.36Å |
| 929 | S | 86.3 | Confident | 90.5 | Very high | 91 Ų | 91 | 39.3 Ų | 39.3 | 64% | 0.636 | 24% | 0.235 | S | C | * | . | P | Polyproline II helix | trans | -67.3 | 142.6 | 174.1 | 52.7 | 0 | 0 | 0 | 0 | 111.6 | ||
| 930 | L | 88.9 | Confident | 90.7 | Very high | 33 Ų | 33 | 38.4 Ų | 38.4 | 17% | 0.173 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -58.3 | 139.1 | 164.9 | -82.8 | 172.8 | 0 | 0 | 0 | 109.4 | I932 F978 Y1009 | L930-I932 HydrophobicContact CB-CG1 4.21Å; L930-I932 PolarHBondContact O-N 3.48Å; L930-F978 HydrophobicContact CD1-CB 3.96Å; L930-F978 HydrophobicContact CD1-CD1 4.07Å; L930-F978 HydrophobicContact CD1-CG 3.99Å; L930-F978 HydrophobicContact CD2-CD1 4.05Å; L930-F978 HydrophobicContact CD2-CE1 3.99Å; L930-F978 HydrophobicContact CD2-CG 4.42Å; L930-F978 HydrophobicContact CD2-CZ 4.3Å; L930-Y1009 HydrophobicContact CD2-CD1 4.14Å |
| 931 | P | 90.1 | Very high | 90.6 | Very high | 21 Ų | 21 | 39.4 Ų | 39.4 | 14% | 0.136 | 24% | 0.235 | C | C | . | . | trans | -82.3 | 59.9 | -175.4 | 35.3 | -37.1 | 0 | 0 | 0 | 110.6 | G933 S934 V961 C1000 Y1009 | P931-G933 PolarHBondContact O-N 2.94Å; P931-S934 WeakPolarHBondContact O-CB 3.33Å; P931-S934 PolarHBondContact O-N 3.16Å; P931-S934 PolarHBondContact O-OG 2.76Å; P931-S934 VanDerWaalsContact O-OG 3.08Å; P931-V961 HydrophobicContact CG-CG2 4.35Å; P931-C1000 HydrophobicContact CG-CB 4.36Å; P931-Y1009 HydrophobicContact CG-CD1 4.16Å; P931-Y1009 HydrophobicContact CG-CD2 3.96Å; P931-Y1009 HydrophobicContact CG-CE1 4.1Å; P931-Y1009 HydrophobicContact CG-CE2 3.92Å; P931-Y1009 HydrophobicContact CG-CG 4.05Å | ||
| 932 | I | 89.6 | Confident | 90.4 | Very high | 90 Ų | 90 | 39.4 Ų | 39.4 | 46% | 0.462 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | 136.2 | -178.1 | -62.1 | 174.1 | 0 | 0 | 0 | 110.4 | L930 S934 V961 N963 | L930-I932 HydrophobicContact CB-CG1 4.21Å; L930-I932 PolarHBondContact O-N 3.48Å; I932-S934 PolarHBondContact O-N 2.87Å; I932-V961 HydrophobicContact CG1-CG1 4.37Å; I932-N963 HydrophobicContact CG2-CB 3.68Å |
| 933 | G | 86.9 | Confident | 90.1 | Very high | 42 Ų | 42 | 40.2 Ų | 40.2 | 43% | 0.433 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | -6.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | P931 V961 | P931-G933 PolarHBondContact O-N 2.94Å; G933-V961 PolarHBondContact N-O 3.29Å |
| 934 | S | 88.4 | Confident | 89.5 | Confident | 52 Ų | 52 | 40.1 Ų | 40.1 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | trans | -78.2 | 139.2 | 177.1 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | P931 I932 C936 V961 | P931-S934 WeakPolarHBondContact O-CB 3.33Å; P931-S934 PolarHBondContact O-N 3.16Å; P931-S934 PolarHBondContact O-OG 2.76Å; P931-S934 VanDerWaalsContact O-OG 3.08Å; I932-S934 PolarHBondContact O-N 2.87Å; S934-C936 PolarHBondContact O-N 3.01Å; S934-V961 PolarHBondContact O-N 3.24Å; S934-V961 VanDerWaalsContact O-N 3.13Å | ||
| 935 | T | 89.4 | Confident | 89.1 | Confident | 84 Ų | 84 | 48 Ų | 48 | 52% | 0.515 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 113.4 | 169.6 | -47.9 | 0 | 0 | 0 | 0 | 110 | D958 | T935-D958 HydrophobicContact CG2-CB 3.67Å |
| 936 | C | 93.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 173.7 | 176.2 | -55.2 | 0 | 0 | 0 | 0 | 109.8 | S934 D958 V959 V961 L998 V999 C1000 | S934-C936 PolarHBondContact O-N 3.01Å; C936-D958 CarbonylContact O-C 3.59Å; C936-D958 WeakPolarHBondContact O-CA 3.23Å; C936-V959 PolarHBondContact N-O 3.19Å; C936-V959 PolarHBondContact O-N 2.95Å; C936-V959 VanDerWaalsContact O-O 3.13Å; C936-V961 HydrophobicContact CB-CG2 4.43Å; C936-V961 VanDerWaalsContact SG-CG2 3.6Å; C936-L998 HydrophobicContact CB-CD2 3.54Å; C936-L998 HydrophobicContact CB-CG 4.18Å; C936-V999 CarbonylContact C-O 3.56Å; C936-V999 WeakPolarHBondContact CA-O 3.41Å; C936-V999 WeakPolarHBondContact CB-O 3.38Å; C936-C1000 HydrophobicContact CB-CB 4Å; C936-C1000 WeakPolarHBondContact CB-SG 3.22Å; C936-C1000 WeakPolarHBondContact SG-CB 3.27Å; C936-C1000 CovalentContact SG-SG 2.03Å; C936-C1000 PolarHBondContact SG-SG 2.99Å |
| 937 | F | 91.9 | Very high | 88.6 | Confident | 11 Ų | 11 | 46.7 Ų | 46.7 | 5% | 0.048 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 140.6 | -179.9 | -54.7 | -78 | 0 | 0 | 0 | 111.2 | K792 W803 M956 V957 D958 L998 V999 Y1006 | K792-F937 HydrophobicContact CG-CZ 4.18Å; W803-F937 HydrophobicContact CH2-CD1 4.37Å; W803-F937 HydrophobicContact CH2-CE1 4.12Å; W803-F937 HydrophobicContact CZ2-CD1 4.3Å; W803-F937 HydrophobicContact CZ2-CE1 4.05Å; F937-M956 HydrophobicContact CB-CE 3.86Å; F937-M956 HydrophobicContact CD1-CE 3.36Å; F937-M956 HydrophobicContact CD2-CE 4.33Å; F937-M956 HydrophobicContact CE1-CE 3.95Å; F937-M956 HydrophobicContact CG-CE 3.58Å; F937-V957 VanDerWaalsContact CA-O 3.32Å; F937-V957 WeakPolarHBondContact CA-O 3.46Å; F937-D958 HydrophobicContact CD1-CB 3.99Å; F937-D958 HydrophobicContact CE1-CB 3.86Å; F937-L998 CarbonylContact O-C 3.6Å; F937-L998 WeakPolarHBondContact O-CA 3.46Å; F937-V999 HydrophobicContact CB-CG2 4.25Å; F937-V999 PolarHBondContact N-O 3.31Å; F937-V999 PolarHBondContact O-N 3.18Å; F937-Y1006 HydrophobicContact CD2-CE1 4.09Å; F937-Y1006 HydrophobicContact CE2-CE1 4.24Å |
| 938 | V | 94.1 | Very high | 88.4 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.024 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 139.4 | 167 | -179.4 | 0 | 0 | 0 | 0 | 107.5 | M956 V957 V959 L998 Y1027 | V938-M956 CarbonylContact O-C 3.39Å; V938-M956 VanDerWaalsContact O-CA 3.22Å; V938-M956 WeakPolarHBondContact O-CA 3.46Å; V938-V957 HydrophobicContact CB-CG1 4.28Å; V938-V957 PolarHBondContact N-O 3.29Å; V938-V957 PolarHBondContact O-N 3.34Å; V938-V959 HydrophobicContact CG2-CG2 3.72Å; V938-L998 HydrophobicContact CG2-CB 3.82Å; V938-L998 HydrophobicContact CG2-CD1 3.84Å; V938-L998 HydrophobicContact CG2-CG 3.8Å; V938-Y1027 HydrophobicContact CG1-CE1 4.28Å; V938-Y1027 HydrophobicContact CG2-CE1 3.57Å |
| 939 | S | 94.3 | Very high | 88.5 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 151.8 | -176.6 | 47.9 | 0 | 0 | 0 | 0 | 112.7 | L810 Q813 Q955 S996 | L810-S939 VanDerWaalsContact CD1-CB 3.45Å; Q813-S939 PolarHBondContact OE1-O 3.33Å; Q813-S939 VanDerWaalsContact OE1-O 3.04Å; Q813-S939 PolarHBondContact OE1-OG 2.74Å; S939-Q955 CarbonylContact C-O 3.57Å; S939-Q955 WeakPolarHBondContact CA-O 3.5Å; S939-Q955 VanDerWaalsContact CB-O 3.26Å; S939-Q955 WeakPolarHBondContact CB-O 3.5Å; S939-S996 WeakPolarHBondContact O-CB 3.35Å; S939-S996 PolarHBondContact O-OG 3.47Å |
| 940 | G | 94.5 | Very high | 88.5 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.8 | -177.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q955 D993 | G940-Q955 PolarHBondContact N-O 3.05Å; G940-Q955 WeakPolarHBondContact O-CB 3.32Å; G940-Q955 PolarHBondContact O-N 3.14Å; G940-D993 WeakPolarHBondContact CA-OD1 3.33Å |
| 941 | W | 93.9 | Very high | 88.5 | Confident | 20 Ų | 20 | 42.5 Ų | 42.5 | 8% | 0.076 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -113.4 | 20.3 | 178.9 | -65.8 | -89.1 | 0 | 0 | 0 | 112.2 | Q813 R815 A870 H871 L873 A951 L954 D993 | Q813-W941 HydrophobicContact CG-CH2 3.93Å; Q813-W941 HydrophobicContact CG-CZ3 3.69Å; R815-W941 HydrophobicContact CB-CE3 3.96Å; R815-W941 HydrophobicContact CB-CH2 4.49Å; R815-W941 HydrophobicContact CB-CZ3 3.76Å; A870-W941 VanDerWaalsContact O-CZ2 3.32Å; A870-W941 WeakPolarHBondContact O-CZ2 3.27Å; H871-W941 PolarHBondContact O-NE1 3.18Å; L873-W941 HydrophobicContact CD1-CB 3.69Å; L873-W941 HydrophobicContact CD1-CD2 4.06Å; L873-W941 HydrophobicContact CD1-CG 3.43Å; L873-W941 VanDerWaalsContact CD1-CG 3.43Å; L873-W941 HydrophobicContact CD2-CD2 4.17Å; L873-W941 HydrophobicContact CD2-CG 4.39Å; L873-W941 HydrophobicContact CD2-CZ2 4.17Å; L873-W941 HydrophobicContact CG-CD2 4.25Å; L873-W941 HydrophobicContact CG-CG 3.97Å; W941-A951 PolarHBondContact O-N 2.86Å; W941-L954 HydrophobicContact CD2-CB 4.47Å; W941-L954 HydrophobicContact CD2-CD1 3.9Å; W941-L954 HydrophobicContact CE3-CD1 4.01Å; W941-L954 HydrophobicContact CH2-CD1 3.98Å; W941-L954 HydrophobicContact CH2-CD2 4.38Å; W941-L954 HydrophobicContact CZ2-CB 3.73Å; W941-L954 HydrophobicContact CZ2-CD1 3.86Å; W941-L954 HydrophobicContact CZ2-CD2 4.21Å; W941-L954 HydrophobicContact CZ2-CG 4.14Å; W941-L954 HydrophobicContact CZ3-CD1 4.04Å; W941-L954 VanDerWaalsContact NE1-CA 3.27Å; W941-L954 VanDerWaalsContact NE1-N 3.14Å; W941-D993 PolarHBondContact N-OD1 2.8Å |
| 942 | G | 90.5 | Very high | 88.5 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | trans | -63.8 | -176.6 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | A951 Q991 D993 | G942-A951 PolarHBondContact O-N 2.93Å; G942-A951 VanDerWaalsContact O-N 3.09Å; G942-Q991 CarbonylContact C-O 3.54Å; G942-Q991 WeakPolarHBondContact CA-O 3.39Å; G942-D993 VanDerWaalsContact CA-OD1 3.31Å; G942-D993 WeakPolarHBondContact CA-OD1 3.48Å; G942-D993 PolarHBondContact N-OD1 3.09Å | ||
| 943 | T | 88.2 | Confident | 88.6 | Confident | 18 Ų | 18 | 42.6 Ų | 42.6 | 11% | 0.11 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -71.2 | 131.8 | -174.2 | 53.8 | 0 | 0 | 0 | 0 | 112.3 | R945 G948 P949 C990 Q991 | T943-R945 WeakPolarHBondContact CB-O 3.33Å; T943-R945 PolarHBondContact O-N 2.93Å; T943-R945 PolarHBondContact OG1-O 3.43Å; T943-G948 WeakPolarHBondContact CG2-O 3.46Å; T943-P949 CarbonylContact C-O 3.56Å; T943-P949 VanDerWaalsContact CA-O 3.28Å; T943-P949 WeakPolarHBondContact CA-O 3.32Å; T943-C990 VanDerWaalsContact O-CB 3.22Å; T943-C990 WeakPolarHBondContact O-CB 3.5Å; T943-C990 PolarHBondContact O-SG 2.79Å; T943-C990 PolarHBondContact OG1-SG 3.01Å; T943-Q991 HydrophobicContact CG2-CB 4.1Å; T943-Q991 PolarHBondContact N-O 2.85Å; T943-Q991 PolarHBondContact OG1-N 3.06Å; T943-Q991 PolarHBondContact OG1-O 3.46Å; T943-Q991 PolarHBondContact OG1-OE1 3.35Å |
| 944 | L | 82.9 | Confident | 88.9 | Confident | 30 Ų | 30 | 40.7 Ų | 40.7 | 16% | 0.157 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -62.8 | -11.7 | -174 | -57.9 | -179.2 | 0 | 0 | 0 | 115.2 | R798 I799 V800 P949 A951 Q955 | R798-L944 WeakPolarHBondContact O-CD2 3.47Å; I799-L944 HydrophobicContact CD1-CD2 4.44Å; I799-L944 HydrophobicContact CG1-CD2 3.87Å; V800-L944 PolarHBondContact N-O 3.07Å; L944-P949 PolarHBondContact N-O 3.22Å; L944-A951 HydrophobicContact CD2-CB 3.6Å; L944-A951 HydrophobicContact CG-CB 4.46Å; L944-Q955 HydrophobicContact CD2-CG 3.93Å |
| 945 | R | 83.1 | Confident | 89.1 | Confident | 166 Ų | 166 | 38.9 Ų | 38.9 | 63% | 0.626 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -162.5 | 164 | 176.8 | 60.3 | -176.6 | -178.9 | -160.7 | -1.3 | 107.9 | T943 N947 G948 | T943-R945 WeakPolarHBondContact CB-O 3.33Å; T943-R945 PolarHBondContact O-N 2.93Å; T943-R945 PolarHBondContact OG1-O 3.43Å; R945-N947 PolarHBondContact O-N 3.24Å; R945-G948 WeakPolarHBondContact O-CA 3.3Å; R945-G948 PolarHBondContact O-N 3.41Å |
| 946 | E | 82.6 | Confident | 89.2 | Confident | 57 Ų | 57 | 34.9 Ų | 34.9 | 27% | 0.266 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 126.2 | 174.1 | -161.6 | -174.8 | 124.8 | 0 | 0 | 111.1 | G948 G1017 C1018 R1020 | E946-G948 PolarHBondContact O-N 2.66Å; E946-G948 VanDerWaalsContact O-N 3.15Å; E946-G1017 WeakPolarHBondContact OE2-CA 3.32Å; E946-C1018 HydrophobicContact CB-CB 4.07Å; E946-C1018 PolarHBondContact OE2-N 3.27Å; E946-R1020 IonicContact OE1-CZ 2.73Å; E946-R1020 IonicContact OE1-NE 2.77Å; E946-R1020 IonicContact OE1-NH2 3.63Å; E946-R1020 PolarHBondContact OE1-NH2 3.24Å; E946-R1020 IonicContact OE2-CZ 3.57Å; E946-R1020 IonicContact OE2-NE 3.15Å; E946-R1020 PolarHBondContact OE2-NE 3.01Å; E946-R1020 IonicContact OE2-NH2 2.63Å; E946-R1020 PolarHBondContact OE2-NH2 3.4Å |
| 947 | N | 81.7 | Confident | 88.9 | Confident | 136 Ų | 136 | 35 Ų | 35 | 73% | 0.727 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 25.2 | -174.3 | -50.5 | -53 | 0 | 0 | 0 | 114.2 | R945 Q991 | R945-N947 PolarHBondContact O-N 3.24Å; N947-Q991 VanDerWaalsContact N-OE1 3.11Å |
| 948 | G | 82 | Confident | 88.8 | Confident | 17 Ų | 17 | 35.4 Ų | 35.4 | 18% | 0.175 | 19% | 0.191 | C | C | . | . | trans | -87.5 | -179.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | T943 R945 E946 | T943-G948 WeakPolarHBondContact CG2-O 3.46Å; R945-G948 WeakPolarHBondContact O-CA 3.3Å; R945-G948 PolarHBondContact O-N 3.41Å; E946-G948 PolarHBondContact O-N 2.66Å; E946-G948 VanDerWaalsContact O-N 3.15Å | ||
| 949 | P | 85.7 | Confident | 88.6 | Confident | 77 Ų | 77 | 35.3 Ų | 35.3 | 50% | 0.5 | 19% | 0.191 | S | C | . | . | P | Polyproline II helix | trans | -69 | 145.3 | 168.5 | 31.2 | -34.5 | 0 | 0 | 0 | 110.6 | T943 L944 | T943-P949 CarbonylContact C-O 3.56Å; T943-P949 VanDerWaalsContact CA-O 3.28Å; T943-P949 WeakPolarHBondContact CA-O 3.32Å; L944-P949 PolarHBondContact N-O 3.22Å |
| 950 | A | 86.6 | Confident | 88.5 | Confident | 56 Ų | 56 | 39.2 Ų | 39.2 | 46% | 0.463 | 21% | 0.209 | S | C | . | . | B | Isolated β-bridge | trans | -60.9 | 156.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 951 | A | 88.8 | Confident | 88.5 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -85.7 | 129.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | W941 G942 L944 L953 Q955 | W941-A951 PolarHBondContact O-N 2.86Å; G942-A951 PolarHBondContact O-N 2.93Å; G942-A951 VanDerWaalsContact O-N 3.09Å; L944-A951 HydrophobicContact CD2-CB 3.6Å; L944-A951 HydrophobicContact CG-CB 4.46Å; A951-L953 VanDerWaalsContact C-N 3.31Å; A951-L953 WeakPolarHBondContact CB-O 3.49Å; A951-Q955 HydrophobicContact CB-CG 3.46Å; A951-Q955 VanDerWaalsContact CB-CG 3.46Å |
| 952 | D | 89.8 | Confident | 88.4 | Confident | 71 Ų | 71 | 38.9 Ų | 38.9 | 38% | 0.38 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -71.3 | -32.5 | 170.1 | -60.6 | -57.9 | 0 | 0 | 0 | 111.8 | L873 K874 | L873-D952 WeakPolarHBondContact CB-O 3.44Å; L873-D952 WeakPolarHBondContact CG-O 3.22Å; L873-D952 PolarHBondContact N-O 3.2Å; K874-D952 HydrophobicContact CD-CB 4.01Å; K874-D952 WeakPolarHBondContact CD-OD1 3.21Å; K874-D952 VanDerWaalsContact CE-CG 3.4Å; K874-D952 WeakPolarHBondContact CE-OD1 3.3Å; K874-D952 HydrophobicContact CG-CB 4.27Å; K874-D952 IonicContact NZ-OD1 3.56Å; K874-D952 PolarHBondContact NZ-OD1 2.9Å; K874-D952 IonicContact NZ-OD2 3.57Å; K874-D952 PolarHBondContact NZ-OD2 2.9Å |
| 953 | L | 91.6 | Very high | 88.3 | Confident | 42 Ų | 42 | 42 Ų | 42 | 22% | 0.22 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -111.4 | 141.2 | -173.7 | -53.9 | 169.1 | 0 | 0 | 0 | 109.3 | E804 H871 D872 A951 Q955 | E804-L953 HydrophobicContact CG-CB 3.63Å; E804-L953 VanDerWaalsContact OE1-CB 3.3Å; E804-L953 WeakPolarHBondContact OE1-CB 3.26Å; E804-L953 WeakPolarHBondContact OE1-CD1 3.07Å; E804-L953 VanDerWaalsContact OE2-CB 3.31Å; E804-L953 WeakPolarHBondContact OE2-CB 3.41Å; E804-L953 WeakPolarHBondContact OE2-CD1 3.44Å; H871-L953 CarbonylContact O-C 3.54Å; H871-L953 WeakPolarHBondContact O-CA 3.46Å; D872-L953 HydrophobicContact CB-CD2 3.4Å; D872-L953 VanDerWaalsContact CB-CD2 3.4Å; D872-L953 WeakPolarHBondContact OD1-CD2 3.02Å; A951-L953 VanDerWaalsContact C-N 3.31Å; A951-L953 WeakPolarHBondContact CB-O 3.49Å; L953-Q955 WeakPolarHBondContact O-CG 3.25Å; L953-Q955 PolarHBondContact O-N 3.46Å; L953-Q955 PolarHBondContact O-NE2 3.11Å |
| 954 | L | 93.6 | Very high | 88 | Confident | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | trans | -61.7 | 121.1 | -170.7 | 174.9 | 58.9 | 0 | 0 | 0 | 111.5 | E804 A805 L810 Q813 H871 W941 | E804-L954 CarbonylContact C-O 3.54Å; E804-L954 WeakPolarHBondContact CA-O 3.2Å; E804-L954 WeakPolarHBondContact CG-O 3.21Å; A805-L954 HydrophobicContact CB-CD2 4.18Å; A805-L954 HydrophobicContact CB-CG 4.04Å; A805-L954 PolarHBondContact N-O 3.49Å; L810-L954 HydrophobicContact CB-CD2 4.38Å; L810-L954 HydrophobicContact CD1-CD2 4.43Å; Q813-L954 HydrophobicContact CB-CD2 4.31Å; Q813-L954 HydrophobicContact CG-CD1 3.84Å; Q813-L954 HydrophobicContact CG-CD2 4.18Å; H871-L954 PolarHBondContact O-N 3.23Å; W941-L954 HydrophobicContact CD2-CB 4.47Å; W941-L954 HydrophobicContact CD2-CD1 3.9Å; W941-L954 HydrophobicContact CE3-CD1 4.01Å; W941-L954 HydrophobicContact CH2-CD1 3.98Å; W941-L954 HydrophobicContact CH2-CD2 4.38Å; W941-L954 HydrophobicContact CZ2-CB 3.73Å; W941-L954 HydrophobicContact CZ2-CD1 3.86Å; W941-L954 HydrophobicContact CZ2-CD2 4.21Å; W941-L954 HydrophobicContact CZ2-CG 4.14Å; W941-L954 HydrophobicContact CZ3-CD1 4.04Å; W941-L954 VanDerWaalsContact NE1-CA 3.27Å; W941-L954 VanDerWaalsContact NE1-N 3.14Å | ||
| 955 | Q | 92.1 | Very high | 88 | Confident | 13 Ų | 13 | 51.9 Ų | 51.9 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 158.5 | 179.7 | -54.2 | -63.3 | -47.7 | 0 | 0 | 112.8 | R798 I799 E804 S939 G940 L944 A951 L953 | R798-Q955 PolarHBondContact O-OE1 3Å; I799-Q955 HydrophobicContact CD1-CB 3.2Å; I799-Q955 HydrophobicContact CD1-CG 3.56Å; I799-Q955 HydrophobicContact CG1-CB 3.5Å; I799-Q955 HydrophobicContact CG1-CG 3.63Å; E804-Q955 VanDerWaalsContact CB-NE2 3.33Å; E804-Q955 VanDerWaalsContact N-OE1 3.13Å; S939-Q955 CarbonylContact C-O 3.57Å; S939-Q955 WeakPolarHBondContact CA-O 3.5Å; S939-Q955 VanDerWaalsContact CB-O 3.26Å; S939-Q955 WeakPolarHBondContact CB-O 3.5Å; G940-Q955 PolarHBondContact N-O 3.05Å; G940-Q955 WeakPolarHBondContact O-CB 3.32Å; G940-Q955 PolarHBondContact O-N 3.14Å; L944-Q955 HydrophobicContact CD2-CG 3.93Å; A951-Q955 HydrophobicContact CB-CG 3.46Å; A951-Q955 VanDerWaalsContact CB-CG 3.46Å; L953-Q955 WeakPolarHBondContact O-CG 3.25Å; L953-Q955 PolarHBondContact O-N 3.46Å; L953-Q955 PolarHBondContact O-NE2 3.11Å |
| 956 | M | 91.4 | Very high | 88.1 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 151 | 168.1 | 66.1 | 177.8 | -59.6 | 0 | 0 | 112.2 | V790 G802 W803 A805 L810 F937 V938 | V790-M956 HydrophobicContact CG1-CE 3.7Å; V790-M956 HydrophobicContact CG1-SD 4.2Å; G802-M956 CarbonylContact C-O 3.5Å; G802-M956 VanDerWaalsContact CA-O 3.28Å; G802-M956 WeakPolarHBondContact CA-O 3.48Å; W803-M956 HydrophobicContact CD2-CG 4.42Å; W803-M956 HydrophobicContact CZ2-CE 3.98Å; W803-M956 HydrophobicContact CZ2-CG 4.2Å; W803-M956 HydrophobicContact CZ2-SD 4.28Å; W803-M956 PolarHBondContact N-O 2.83Å; W803-M956 WeakPolarHBondContact O-CG 3.42Å; W803-M956 PolarHBondContact O-N 2.77Å; A805-M956 HydrophobicContact CB-CG 4.29Å; A805-M956 HydrophobicContact CB-SD 4.19Å; L810-M956 HydrophobicContact CD1-CB 4.19Å; L810-M956 HydrophobicContact CD1-SD 4.33Å; F937-M956 HydrophobicContact CB-CE 3.86Å; F937-M956 HydrophobicContact CD1-CE 3.36Å; F937-M956 HydrophobicContact CD2-CE 4.33Å; F937-M956 HydrophobicContact CE1-CE 3.95Å; F937-M956 HydrophobicContact CG-CE 3.58Å; V938-M956 CarbonylContact O-C 3.39Å; V938-M956 VanDerWaalsContact O-CA 3.22Å; V938-M956 WeakPolarHBondContact O-CA 3.46Å |
| 957 | V | 88.6 | Confident | 88.4 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 140.8 | 176.8 | 61 | 0 | 0 | 0 | 0 | 110.1 | F937 V938 V959 K987 | F937-V957 VanDerWaalsContact CA-O 3.32Å; F937-V957 WeakPolarHBondContact CA-O 3.46Å; V938-V957 HydrophobicContact CB-CG1 4.28Å; V938-V957 PolarHBondContact N-O 3.29Å; V938-V957 PolarHBondContact O-N 3.34Å; V957-V959 HydrophobicContact CG1-CG1 4.22Å; V957-K987 HydrophobicContact CG2-CB 3.99Å; V957-K987 HydrophobicContact CG2-CD 4.26Å; V957-K987 HydrophobicContact CG2-CG 4.25Å |
| 958 | D | 89 | Confident | 88.8 | Confident | 19 Ų | 19 | 40 Ų | 40 | 10% | 0.102 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 123.2 | 171 | 58.6 | -29.9 | 0 | 0 | 0 | 111.4 | W803 T935 C936 F937 K987 | W803-D958 HydrophobicContact CH2-CB 3.83Å; W803-D958 HydrophobicContact CZ3-CB 4.37Å; W803-D958 VanDerWaalsContact CZ3-OD1 3.23Å; W803-D958 WeakPolarHBondContact CZ3-OD1 3.43Å; T935-D958 HydrophobicContact CG2-CB 3.67Å; C936-D958 CarbonylContact O-C 3.59Å; C936-D958 WeakPolarHBondContact O-CA 3.23Å; F937-D958 HydrophobicContact CD1-CB 3.99Å; F937-D958 HydrophobicContact CE1-CB 3.86Å; D958-K987 WeakPolarHBondContact O-CD 3.34Å; D958-K987 WeakPolarHBondContact OD1-CD 3.44Å; D958-K987 WeakPolarHBondContact OD1-CE 3.27Å; D958-K987 IonicContact OD1-NZ 3.46Å; D958-K987 PolarHBondContact OD1-NZ 3Å; D958-K987 IonicContact OD2-NZ 2.91Å; D958-K987 PolarHBondContact OD2-NZ 2.97Å |
| 959 | V | 90.4 | Very high | 89.2 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 145.8 | 177.8 | -65.7 | 0 | 0 | 0 | 0 | 109.9 | C936 V938 V957 A980 L998 | C936-V959 PolarHBondContact N-O 3.19Å; C936-V959 PolarHBondContact O-N 2.95Å; C936-V959 VanDerWaalsContact O-O 3.13Å; V938-V959 HydrophobicContact CG2-CG2 3.72Å; V957-V959 HydrophobicContact CG1-CG1 4.22Å; V959-A980 HydrophobicContact CB-CB 4.41Å; V959-A980 HydrophobicContact CG2-CB 4.1Å; V959-L998 HydrophobicContact CG2-CD1 3.75Å; V959-L998 HydrophobicContact CG2-CG 4.29Å |
| 960 | E | 92.2 | Very high | 89.3 | Confident | 85 Ų | 85 | 39.6 Ų | 39.6 | 40% | 0.397 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 134.9 | 174.8 | -165.5 | 179.3 | 142.1 | 0 | 0 | 109.1 | L962 A980 G981 | E960-L962 HydrophobicContact CB-CD2 4.41Å; E960-L962 PolarHBondContact O-N 2.99Å; E960-A980 CarbonylContact O-C 3.56Å; E960-A980 WeakPolarHBondContact O-CA 3.22Å; E960-A980 WeakPolarHBondContact O-CB 3.18Å; E960-G981 PolarHBondContact N-O 2.84Å; E960-G981 PolarHBondContact O-N 3.26Å |
| 961 | V | 93.8 | Very high | 89.1 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 111.2 | 171.5 | 177 | 0 | 0 | 0 | 0 | 107.9 | P931 I932 G933 S934 C936 F978 L998 | P931-V961 HydrophobicContact CG-CG2 4.35Å; I932-V961 HydrophobicContact CG1-CG1 4.37Å; G933-V961 PolarHBondContact N-O 3.29Å; S934-V961 PolarHBondContact O-N 3.24Å; S934-V961 VanDerWaalsContact O-N 3.13Å; C936-V961 HydrophobicContact CB-CG2 4.43Å; C936-V961 VanDerWaalsContact SG-CG2 3.6Å; V961-F978 HydrophobicContact CG1-CD2 3.85Å; V961-F978 HydrophobicContact CG1-CE2 3.9Å; V961-F978 HydrophobicContact CG2-CE2 4.14Å; V961-L998 HydrophobicContact CG2-CD2 4.22Å |
| 962 | L | 91.5 | Very high | 88.9 | Confident | 12 Ų | 12 | 45.6 Ų | 45.6 | 6% | 0.063 | 25% | 0.25 | C | S | . | . | trans | -82 | 150.6 | -169.4 | -63.4 | 176 | 0 | 0 | 0 | 111.8 | E960 C979 P1024 | E960-L962 HydrophobicContact CB-CD2 4.41Å; E960-L962 PolarHBondContact O-N 2.99Å; L962-C979 HydrophobicContact CB-CB 4.35Å; L962-C979 HydrophobicContact CD1-CB 4.22Å; L962-C979 PolarHBondContact N-O 3.47Å; L962-P1024 HydrophobicContact CD1-CB 3.54Å; L962-P1024 HydrophobicContact CD1-CG 3.54Å | ||
| 963 | N | 89.2 | Confident | 88.8 | Confident | 69 Ų | 69 | 44.1 Ų | 44.1 | 37% | 0.369 | 24% | 0.241 | S | C | . | . | trans | -77.5 | 166.6 | 171.1 | 71.4 | 61.9 | 0 | 0 | 0 | 111.6 | I932 H965 S966 C967 | I932-N963 HydrophobicContact CG2-CB 3.68Å; N963-H965 PolarHBondContact O-N 3.2Å; N963-H965 VanDerWaalsContact O-N 3.12Å; N963-H965 WeakPolarHBondContact OD1-CA 3.29Å; N963-H965 WeakPolarHBondContact OD1-CB 3.44Å; N963-H965 PolarHBondContact OD1-N 2.84Å; N963-S966 PolarHBondContact O-N 3.34Å; N963-S966 PolarHBondContact OD1-N 3.4Å; N963-C967 PolarHBondContact O-N 3.38Å | ||
| 964 | D | 81.6 | Confident | 88.3 | Confident | 76 Ų | 76 | 44.5 Ų | 44.5 | 41% | 0.406 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | -31.5 | 178.9 | -92.4 | 56.4 | 0 | 0 | 0 | 116.3 | R974 | D964-R974 VanDerWaalsContact CB-NH1 3.3Å; D964-R974 VanDerWaalsContact CG-NH1 3.31Å; D964-R974 PolarHBondContact O-NH1 3.07Å; D964-R974 PolarHBondContact O-NH2 3.4Å; D964-R974 WeakPolarHBondContact OD2-CD 3.14Å; D964-R974 IonicContact OD2-CZ 3.87Å; D964-R974 IonicContact OD2-NE 3.04Å; D964-R974 IonicContact OD2-NH1 3.33Å; D964-R974 PolarHBondContact OD2-NH1 2.89Å |
| 965 | H | 82.6 | Confident | 88 | Confident | 179 Ų | 179 | 51.9 Ų | 51.9 | 83% | 0.829 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -24 | -179.5 | -62.5 | 82 | 0 | 0 | 0 | 112.3 | N963 | N963-H965 PolarHBondContact O-N 3.2Å; N963-H965 VanDerWaalsContact O-N 3.12Å; N963-H965 WeakPolarHBondContact OD1-CA 3.29Å; N963-H965 WeakPolarHBondContact OD1-CB 3.44Å; N963-H965 PolarHBondContact OD1-N 2.84Å |
| 966 | S | 85.9 | Confident | 88 | Confident | 24 Ų | 24 | 52.3 Ų | 52.3 | 17% | 0.168 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -95.8 | 3.8 | 178.4 | -61.5 | 0 | 0 | 0 | 0 | 113.4 | N963 | N963-S966 PolarHBondContact O-N 3.34Å; N963-S966 PolarHBondContact OD1-N 3.4Å |
| 967 | C | 88.9 | Confident | 88.1 | Confident | 7 Ų | 7 | 52.4 Ų | 52.4 | 5% | 0.047 | 28% | 0.28 | C | S | . | . | trans | -112 | 113 | -176.3 | -172.8 | 0 | 0 | 0 | 0 | 111.6 | N963 I969 R974 C979 | N963-C967 PolarHBondContact O-N 3.38Å; C967-I969 VanDerWaalsContact C-N 3.26Å; C967-I969 PolarHBondContact O-N 3.17Å; C967-I969 VanDerWaalsContact SG-CG1 3.55Å; C967-R974 PolarHBondContact O-NH2 3.16Å; C967-C979 WeakPolarHBondContact CA-SG 3.38Å; C967-C979 HydrophobicContact CB-CB 3.59Å; C967-C979 WeakPolarHBondContact CB-SG 3.35Å; C967-C979 WeakPolarHBondContact SG-CB 3.11Å; C967-C979 PolarHBondContact SG-N 2.72Å; C967-C979 CovalentContact SG-SG 2.04Å; C967-C979 PolarHBondContact SG-SG 3.07Å | ||
| 968 | Y | 90 | Very high | 88.4 | Confident | 79 Ų | 79 | 52.7 Ų | 52.7 | 31% | 0.31 | 28% | 0.281 | S | S | . | . | trans | -72.1 | -12.1 | -170.4 | 73.9 | -83.6 | 0 | 0 | 0 | 115.1 | F1014 V1016 Y1023 P1024 V1026 | Y968-F1014 WeakPolarHBondContact OH-CE2 3.43Å; Y968-V1016 HydrophobicContact CE2-CG2 4.4Å; Y968-Y1023 HydrophobicContact CD2-CD1 4.39Å; Y968-Y1023 HydrophobicContact CG-CD1 4.38Å; Y968-P1024 HydrophobicContact CD1-CG 4.34Å; Y968-P1024 WeakPolarHBondContact CE1-O 3.48Å; Y968-V1026 HydrophobicContact CE1-CG2 3.63Å; Y968-V1026 WeakPolarHBondContact OH-CG2 3.02Å | ||
| 969 | I | 89.4 | Confident | 88.7 | Confident | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -74.2 | 147 | 177.6 | 71.4 | -168 | 0 | 0 | 0 | 111 | C967 R974 M977 F1014 V1026 | C967-I969 VanDerWaalsContact C-N 3.26Å; C967-I969 PolarHBondContact O-N 3.17Å; C967-I969 VanDerWaalsContact SG-CG1 3.55Å; I969-R974 HydrophobicContact CD1-CG 4.3Å; I969-R974 HydrophobicContact CG1-CG 4.03Å; I969-R974 PolarHBondContact O-NE 3.08Å; I969-R974 PolarHBondContact O-NH2 3.49Å; I969-R974 VanDerWaalsContact O-NH2 3.11Å; I969-M977 HydrophobicContact CD1-CB 4.38Å; I969-M977 HydrophobicContact CD1-CG 3.7Å; I969-M977 HydrophobicContact CD1-SD 3.84Å; I969-F1014 HydrophobicContact CG2-CE2 4.41Å; I969-F1014 HydrophobicContact CG2-CZ 4.02Å; I969-V1026 HydrophobicContact CD1-CG1 4.04Å; I969-V1026 HydrophobicContact CG2-CG1 4.21Å; I969-V1026 HydrophobicContact CG2-CG2 3.69Å |
| 970 | P | 87.7 | Confident | 88.8 | Confident | 79 Ų | 79 | 51.8 Ų | 51.8 | 51% | 0.513 | 28% | 0.276 | S | S | . | . | trans | -55.6 | 142.4 | 178.2 | -26.2 | 34.8 | 0 | 0 | 0 | 113.1 | S972 K973 | P970-S972 PolarHBondContact O-N 2.88Å; P970-S972 VanDerWaalsContact O-N 3.13Å; P970-K973 PolarHBondContact O-N 3.42Å | ||
| 971 | S | 82.8 | Confident | 88.6 | Confident | 81 Ų | 81 | 47.7 Ų | 47.7 | 57% | 0.566 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -55.9 | -32.7 | -178.4 | -52.6 | 0 | 0 | 0 | 0 | 113.8 | K973 R974 | S971-K973 PolarHBondContact O-N 3.22Å; S971-K973 VanDerWaalsContact O-N 3.13Å; S971-R974 PolarHBondContact O-N 3.44Å; S971-R974 VanDerWaalsContact O-N 3.11Å; S971-R974 PolarHBondContact OG-NH1 3.19Å |
| 972 | S | 86 | Confident | 87.9 | Confident | 106 Ų | 106 | 51.7 Ų | 51.7 | 74% | 0.741 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -58.1 | -23.6 | 175.3 | 51.5 | 0 | 0 | 0 | 0 | 114.2 | P970 | P970-S972 PolarHBondContact O-N 2.88Å; P970-S972 VanDerWaalsContact O-N 3.13Å |
| 973 | K | 86.4 | Confident | 87.1 | Confident | 41 Ų | 41 | 55.4 Ų | 55.4 | 18% | 0.178 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -94.7 | -12.7 | 179.4 | -64.1 | -170.8 | 168.7 | -165.4 | 0 | 114.1 | T898 D900 P970 S971 Q975 A976 M977 | T898-K973 VanDerWaalsContact CB-NZ 3.27Å; T898-K973 PolarHBondContact O-NZ 3.37Å; D900-K973 VanDerWaalsContact OD1-CD 3.27Å; D900-K973 WeakPolarHBondContact OD1-CD 3.32Å; D900-K973 WeakPolarHBondContact OD1-CE 3.37Å; D900-K973 IonicContact OD1-NZ 3.76Å; D900-K973 PolarHBondContact OD1-NZ 2.93Å; D900-K973 VanDerWaalsContact OD1-NZ 3.09Å; D900-K973 IonicContact OD2-NZ 3.6Å; P970-K973 PolarHBondContact O-N 3.42Å; S971-K973 PolarHBondContact O-N 3.22Å; S971-K973 VanDerWaalsContact O-N 3.13Å; K973-Q975 PolarHBondContact O-N 3.08Å; K973-Q975 VanDerWaalsContact O-N 3.07Å; K973-A976 PolarHBondContact O-N 3.34Å; K973-M977 HydrophobicContact CB-CE 4.37Å; K973-M977 HydrophobicContact CB-CG 3.93Å; K973-M977 HydrophobicContact CB-SD 3.9Å; K973-M977 HydrophobicContact CD-CE 4.06Å; K973-M977 HydrophobicContact CD-SD 4.07Å; K973-M977 VanDerWaalsContact O-CG 3.23Å; K973-M977 WeakPolarHBondContact O-CG 3.35Å; K973-M977 PolarHBondContact O-N 2.87Å; K973-M977 VanDerWaalsContact O-N 3.1Å |
| 974 | R | 82.2 | Confident | 86.6 | Confident | 50 Ų | 50 | 55.8 Ų | 55.8 | 19% | 0.189 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -12.9 | -169.1 | -65.7 | 179.8 | -168.6 | 168.3 | -10 | 114.7 | D964 C967 I969 S971 M977 | D964-R974 VanDerWaalsContact CB-NH1 3.3Å; D964-R974 VanDerWaalsContact CG-NH1 3.31Å; D964-R974 PolarHBondContact O-NH1 3.07Å; D964-R974 PolarHBondContact O-NH2 3.4Å; D964-R974 WeakPolarHBondContact OD2-CD 3.14Å; D964-R974 IonicContact OD2-CZ 3.87Å; D964-R974 IonicContact OD2-NE 3.04Å; D964-R974 IonicContact OD2-NH1 3.33Å; D964-R974 PolarHBondContact OD2-NH1 2.89Å; C967-R974 PolarHBondContact O-NH2 3.16Å; I969-R974 HydrophobicContact CD1-CG 4.3Å; I969-R974 HydrophobicContact CG1-CG 4.03Å; I969-R974 PolarHBondContact O-NE 3.08Å; I969-R974 PolarHBondContact O-NH2 3.49Å; I969-R974 VanDerWaalsContact O-NH2 3.11Å; S971-R974 PolarHBondContact O-N 3.44Å; S971-R974 VanDerWaalsContact O-N 3.11Å; S971-R974 PolarHBondContact OG-NH1 3.19Å; R974-M977 CarbonylContact C-O 3.36Å; R974-M977 WeakPolarHBondContact CA-O 3.15Å |
| 975 | Q | 85.8 | Confident | 86.5 | Confident | 157 Ų | 157 | 52.2 Ų | 52.2 | 73% | 0.734 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -39.3 | 169 | -168.7 | 175.4 | 13 | 0 | 0 | 112 | K973 N1029 S1032 | K973-Q975 PolarHBondContact O-N 3.08Å; K973-Q975 VanDerWaalsContact O-N 3.07Å; Q975-N1029 PolarHBondContact O-ND2 3.49Å; Q975-S1032 PolarHBondContact O-OG 3.34Å |
| 976 | A | 92.3 | Very high | 86 | Confident | 23 Ų | 23 | 50.1 Ų | 50.1 | 19% | 0.19 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -22.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | K973 N1029 | K973-A976 PolarHBondContact O-N 3.34Å; A976-N1029 WeakPolarHBondContact O-CB 3.4Å; A976-N1029 PolarHBondContact O-N 2.84Å |
| 977 | M | 94.2 | Very high | 85.8 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.015 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 154.8 | -175.9 | 50.3 | 170.7 | 86.4 | 0 | 0 | 110.6 | K899 D900 I969 K973 R974 F1014 V1026 Y1027 | K899-M977 WeakPolarHBondContact O-CE 3.35Å; D900-M977 WeakPolarHBondContact OD1-CE 3.26Å; I969-M977 HydrophobicContact CD1-CB 4.38Å; I969-M977 HydrophobicContact CD1-CG 3.7Å; I969-M977 HydrophobicContact CD1-SD 3.84Å; K973-M977 HydrophobicContact CB-CE 4.37Å; K973-M977 HydrophobicContact CB-CG 3.93Å; K973-M977 HydrophobicContact CB-SD 3.9Å; K973-M977 HydrophobicContact CD-CE 4.06Å; K973-M977 HydrophobicContact CD-SD 4.07Å; K973-M977 VanDerWaalsContact O-CG 3.23Å; K973-M977 WeakPolarHBondContact O-CG 3.35Å; K973-M977 PolarHBondContact O-N 2.87Å; K973-M977 VanDerWaalsContact O-N 3.1Å; R974-M977 CarbonylContact C-O 3.36Å; R974-M977 WeakPolarHBondContact CA-O 3.15Å; M977-F1014 HydrophobicContact CE-CE1 4.24Å; M977-F1014 HydrophobicContact SD-CE1 3.87Å; M977-F1014 HydrophobicContact SD-CZ 4.08Å; M977-V1026 HydrophobicContact CB-CG1 4.02Å; M977-V1026 HydrophobicContact CG-CG1 4.39Å; M977-V1026 HydrophobicContact SD-CG1 3.97Å; M977-Y1027 CarbonylContact C-O 3.52Å; M977-Y1027 WeakPolarHBondContact CA-O 3.45Å; M977-Y1027 WeakPolarHBondContact CB-O 3.31Å |
| 978 | F | 94.9 | Very high | 85.6 | Confident | 9 Ų | 9 | 50.4 Ų | 50.4 | 4% | 0.039 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 161.2 | 178.9 | 67 | -82.3 | 0 | 0 | 0 | 111 | L930 V961 A980 L998 Y1009 Y1027 N1029 | L930-F978 HydrophobicContact CD1-CB 3.96Å; L930-F978 HydrophobicContact CD1-CD1 4.07Å; L930-F978 HydrophobicContact CD1-CG 3.99Å; L930-F978 HydrophobicContact CD2-CD1 4.05Å; L930-F978 HydrophobicContact CD2-CE1 3.99Å; L930-F978 HydrophobicContact CD2-CG 4.42Å; L930-F978 HydrophobicContact CD2-CZ 4.3Å; V961-F978 HydrophobicContact CG1-CD2 3.85Å; V961-F978 HydrophobicContact CG1-CE2 3.9Å; V961-F978 HydrophobicContact CG2-CE2 4.14Å; F978-A980 HydrophobicContact CE2-CB 4.16Å; F978-L998 HydrophobicContact CE2-CD1 4.27Å; F978-L998 HydrophobicContact CZ-CD1 4.42Å; F978-L998 HydrophobicContact CZ-CD2 4.34Å; F978-Y1009 WeakPolarHBondContact CE1-O 2.98Å; F978-Y1027 PolarHBondContact N-O 2.94Å; F978-Y1027 PolarHBondContact O-N 3.37Å; F978-N1029 HydrophobicContact CD1-CB 3.98Å; F978-N1029 HydrophobicContact CE1-CB 4.43Å |
| 979 | C | 94.7 | Very high | 85.4 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 141 | 176.2 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | L962 C967 P1024 G1025 | L962-C979 HydrophobicContact CB-CB 4.35Å; L962-C979 HydrophobicContact CD1-CB 4.22Å; L962-C979 PolarHBondContact N-O 3.47Å; C967-C979 WeakPolarHBondContact CA-SG 3.38Å; C967-C979 HydrophobicContact CB-CB 3.59Å; C967-C979 WeakPolarHBondContact CB-SG 3.35Å; C967-C979 WeakPolarHBondContact SG-CB 3.11Å; C967-C979 PolarHBondContact SG-N 2.72Å; C967-C979 CovalentContact SG-SG 2.04Å; C967-C979 PolarHBondContact SG-SG 3.07Å; C979-P1024 HydrophobicContact CB-CB 4.28Å; C979-P1024 HydrophobicContact CB-CG 3.75Å; C979-G1025 WeakPolarHBondContact CA-O 3.47Å |
| 980 | A | 93.4 | Very high | 85.4 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 144.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111 | V959 E960 F978 L998 G1025 Y1027 | V959-A980 HydrophobicContact CB-CB 4.41Å; V959-A980 HydrophobicContact CG2-CB 4.1Å; E960-A980 CarbonylContact O-C 3.56Å; E960-A980 WeakPolarHBondContact O-CA 3.22Å; E960-A980 WeakPolarHBondContact O-CB 3.18Å; F978-A980 HydrophobicContact CE2-CB 4.16Å; A980-L998 HydrophobicContact CB-CD1 3.39Å; A980-G1025 PolarHBondContact N-O 3.05Å; A980-G1025 PolarHBondContact O-N 3.43Å; A980-Y1027 HydrophobicContact CB-CD2 3.79Å; A980-Y1027 HydrophobicContact CB-CE2 3.71Å; A980-Y1027 WeakPolarHBondContact O-CE2 3.48Å |
| 981 | G | 86.8 | Confident | 85.3 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 154.6 | -176.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | E960 | E960-G981 PolarHBondContact N-O 2.84Å; E960-G981 PolarHBondContact O-N 3.26Å |
| 982 | H | 79.8 | Confident | 85.5 | Confident | 85 Ų | 85 | 45.4 Ų | 45.4 | 39% | 0.394 | 23% | 0.231 | S | C | . | . | trans | -93 | 122.9 | 168.1 | -175.5 | -96.7 | 0 | 0 | 0 | 108.7 | M984 G985 K987 | H982-M984 VanDerWaalsContact C-N 3.28Å; H982-M984 PolarHBondContact O-N 3.38Å; H982-G985 WeakPolarHBondContact CB-O 3.19Å; H982-G985 PolarHBondContact ND1-O 2.83Å; H982-G985 WeakPolarHBondContact O-CA 3.45Å; H982-G985 PolarHBondContact O-N 2.94Å; H982-K987 HydrophobicContact CB-CB 3.98Å; H982-K987 HydrophobicContact CB-CG 4.38Å; H982-K987 PolarHBondContact N-O 2.89Å | ||
| 983 | Y | 75.7 | Confident | 85.8 | Confident | 89 Ų | 89 | 40.5 Ų | 40.5 | 35% | 0.349 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -33.5 | -170 | -179.7 | -115.9 | 0 | 0 | 0 | 114 | G985 Y1022 | Y983-G985 PolarHBondContact O-N 2.8Å; Y983-G985 VanDerWaalsContact O-N 3.16Å; Y983-Y1022 HydrophobicContact CE1-CD1 4.14Å; Y983-Y1022 HydrophobicContact CE1-CE1 4.31Å; Y983-Y1022 HydrophobicContact CE2-CD1 4.3Å; Y983-Y1022 AromaticContact CZ-CD1 3.83Å; Y983-Y1022 PolarHBondContact O-N 3.4Å |
| 984 | M | 78.5 | Confident | 86.2 | Confident | 77 Ų | 77 | 40 Ų | 40 | 38% | 0.379 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | 19.1 | 171.5 | -63.3 | -72.3 | 115.8 | 0 | 0 | 113.3 | H982 Y1022 | H982-M984 VanDerWaalsContact C-N 3.28Å; H982-M984 PolarHBondContact O-N 3.38Å; M984-Y1022 HydrophobicContact CE-CD1 4.34Å; M984-Y1022 HydrophobicContact CE-CE1 3.62Å |
| 985 | G | 78.5 | Confident | 86.9 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | S | Bend | trans | 65.6 | -158.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | H982 Y983 K987 G1019 | H982-G985 WeakPolarHBondContact CB-O 3.19Å; H982-G985 PolarHBondContact ND1-O 2.83Å; H982-G985 WeakPolarHBondContact O-CA 3.45Å; H982-G985 PolarHBondContact O-N 2.94Å; Y983-G985 PolarHBondContact O-N 2.8Å; Y983-G985 VanDerWaalsContact O-N 3.16Å; G985-K987 VanDerWaalsContact C-N 3.32Å; G985-K987 PolarHBondContact O-N 3.27Å; G985-G1019 CarbonylContact C-O 3.46Å; G985-G1019 VanDerWaalsContact CA-O 3.25Å; G985-G1019 WeakPolarHBondContact CA-O 3.23Å |
| 986 | K | 73.2 | Confident | 87.4 | Confident | 135 Ų | 135 | 30.1 Ų | 30.1 | 59% | 0.587 | 15% | 0.154 | S | C | * | . | S | Bend | trans | 66.5 | 17 | 178.9 | -38.7 | 173.4 | -173.4 | 168.2 | 0 | 116 | V800 N801 G1019 | V800-K986 CarbonylContact C-O 3.55Å; V800-K986 CarbonylContact O-C 3.58Å; V800-K986 VanDerWaalsContact O-C 3.31Å; N801-K986 WeakPolarHBondContact CB-O 3.48Å; N801-K986 WeakPolarHBondContact ND2-CB 3.28Å; N801-K986 PolarHBondContact ND2-O 3.17Å; K986-G1019 PolarHBondContact N-O 3.41Å |
| 987 | K | 81.4 | Confident | 87.6 | Confident | 35 Ų | 35 | 29 Ų | 29 | 15% | 0.152 | 15% | 0.145 | C | C | . | . | trans | -157.3 | 121.4 | 165.6 | -68.7 | -163.9 | -167.5 | 177.5 | 0 | 109.6 | V800 N801 V957 D958 H982 G985 | V800-K987 VanDerWaalsContact O-CA 3.31Å; V800-K987 WeakPolarHBondContact O-CA 3.41Å; N801-K987 HydrophobicContact CB-CG 4.12Å; V957-K987 HydrophobicContact CG2-CB 3.99Å; V957-K987 HydrophobicContact CG2-CD 4.26Å; V957-K987 HydrophobicContact CG2-CG 4.25Å; D958-K987 WeakPolarHBondContact O-CD 3.34Å; D958-K987 WeakPolarHBondContact OD1-CD 3.44Å; D958-K987 WeakPolarHBondContact OD1-CE 3.27Å; D958-K987 IonicContact OD1-NZ 3.46Å; D958-K987 PolarHBondContact OD1-NZ 3Å; D958-K987 IonicContact OD2-NZ 2.91Å; D958-K987 PolarHBondContact OD2-NZ 2.97Å; H982-K987 HydrophobicContact CB-CB 3.98Å; H982-K987 HydrophobicContact CB-CG 4.38Å; H982-K987 PolarHBondContact N-O 2.89Å; G985-K987 VanDerWaalsContact C-N 3.32Å; G985-K987 PolarHBondContact O-N 3.27Å | ||
| 988 | D | 83.1 | Confident | 87.7 | Confident | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.011 | 14% | 0.144 | C | C | . | . | trans | -170.4 | 166.4 | -176.3 | -152 | -12.4 | 0 | 0 | 0 | 111.8 | I799 G1019 G1025 | I799-D988 WeakPolarHBondContact CG2-O 3.22Å; D988-G1019 VanDerWaalsContact CB-CA 3.5Å; D988-G1019 PolarHBondContact OD2-N 2.75Å; D988-G1025 WeakPolarHBondContact OD1-CA 3.47Å; D988-G1025 PolarHBondContact OD1-N 2.7Å; D988-G1025 PolarHBondContact OD2-N 3.31Å | ||
| 989 | S | 87.6 | Confident | 87.8 | Confident | 20 Ų | 20 | 28.5 Ų | 28.5 | 14% | 0.14 | 14% | 0.142 | C | C | . | . | trans | -66.2 | 164.4 | 157.2 | 65.6 | 0 | 0 | 0 | 0 | 111.5 | Y1027 | S989-Y1027 PolarHBondContact OG-OH 3.13Š| ||
| 990 | C | 88.5 | Confident | 87.8 | Confident | 11 Ų | 11 | 28.6 Ų | 28.6 | 7% | 0.074 | 14% | 0.143 | C | C | . | . | trans | -144 | -171 | 178.3 | -156.8 | 0 | 0 | 0 | 0 | 113.2 | T943 G992 D993 C1018 | T943-C990 VanDerWaalsContact O-CB 3.22Å; T943-C990 WeakPolarHBondContact O-CB 3.5Å; T943-C990 PolarHBondContact O-SG 2.79Å; T943-C990 PolarHBondContact OG1-SG 3.01Å; C990-G992 PolarHBondContact O-N 3.11Å; C990-D993 PolarHBondContact N-OD2 2.72Å; C990-D993 WeakPolarHBondContact O-CB 3.44Å; C990-D993 PolarHBondContact O-N 3.13Å; C990-C1018 WeakPolarHBondContact CA-SG 3.47Å; C990-C1018 HydrophobicContact CB-CB 3.72Å; C990-C1018 WeakPolarHBondContact CB-SG 3.32Å; C990-C1018 WeakPolarHBondContact SG-CB 3.26Å; C990-C1018 CovalentContact SG-SG 2.03Å; C990-C1018 PolarHBondContact SG-SG 3.2Å | ||
| 991 | Q | 85.9 | Confident | 87.6 | Confident | 81 Ų | 81 | 32 Ų | 32 | 38% | 0.379 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 124.1 | -175 | -68.5 | 84.5 | 41.2 | 0 | 0 | 111 | G942 T943 N947 C1018 | G942-Q991 CarbonylContact C-O 3.54Å; G942-Q991 WeakPolarHBondContact CA-O 3.39Å; T943-Q991 HydrophobicContact CG2-CB 4.1Å; T943-Q991 PolarHBondContact N-O 2.85Å; T943-Q991 PolarHBondContact OG1-N 3.06Å; T943-Q991 PolarHBondContact OG1-O 3.46Å; T943-Q991 PolarHBondContact OG1-OE1 3.35Å; N947-Q991 VanDerWaalsContact N-OE1 3.11Å; Q991-C1018 PolarHBondContact NE2-SG 2.88Å |
| 992 | G | 87 | Confident | 87.7 | Confident | 27 Ų | 27 | 37.3 Ų | 37.3 | 28% | 0.278 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97.7 | -11.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | C990 S994 | C990-G992 PolarHBondContact O-N 3.11Å; G992-S994 VanDerWaalsContact C-N 3.3Å |
| 993 | D | 92.3 | Very high | 87.8 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | trans | -85.5 | -0.7 | 171.7 | -60.5 | -47.3 | 0 | 0 | 0 | 112.9 | G940 W941 G942 C990 G995 S996 A1012 | G940-D993 WeakPolarHBondContact CA-OD1 3.33Å; W941-D993 PolarHBondContact N-OD1 2.8Å; G942-D993 VanDerWaalsContact CA-OD1 3.31Å; G942-D993 WeakPolarHBondContact CA-OD1 3.48Å; G942-D993 PolarHBondContact N-OD1 3.09Å; C990-D993 PolarHBondContact N-OD2 2.72Å; C990-D993 WeakPolarHBondContact O-CB 3.44Å; C990-D993 PolarHBondContact O-N 3.13Å; D993-G995 PolarHBondContact O-N 3.28Å; D993-S996 WeakPolarHBondContact O-CB 3.19Å; D993-S996 PolarHBondContact O-N 3.46Å; D993-S996 PolarHBondContact O-OG 2.77Å; D993-A1012 WeakPolarHBondContact O-CB 3.34Å | ||
| 994 | S | 94.1 | Very high | 88.1 | Confident | 30 Ų | 30 | 39 Ų | 39 | 21% | 0.21 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | 130 | 172.9 | -72.3 | 0 | 0 | 0 | 0 | 111.5 | C828 G829 H850 G992 S996 | C828-S994 CarbonylContact C-O 3.52Å; C828-S994 VanDerWaalsContact CA-O 3.31Å; C828-S994 WeakPolarHBondContact CA-O 3.45Å; C828-S994 WeakPolarHBondContact CB-O 3.39Å; C828-S994 PolarHBondContact SG-O 3.35Å; G829-S994 PolarHBondContact N-O 2.96Å; H850-S994 VanDerWaalsContact CE1-CB 3.48Å; H850-S994 WeakPolarHBondContact CE1-CB 3.44Å; H850-S994 PolarHBondContact CE1-OG 3.45Å; H850-S994 VanDerWaalsContact NE2-CB 3.26Å; H850-S994 WeakPolarHBondContact NE2-CB 3.01Å; H850-S994 PolarHBondContact NE2-OG 3.19Å; G992-S994 VanDerWaalsContact C-N 3.3Å; S994-S996 VanDerWaalsContact C-N 3.29Å; S994-S996 PolarHBondContact O-N 2.98Å |
| 995 | G | 96.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83 | -8.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | G829 G830 T847 D993 A1012 | G829-G995 CarbonylContact C-O 3.48Å; G829-G995 CarbonylContact O-C 3.49Å; G829-G995 VanDerWaalsContact O-C 3.32Å; G830-G995 WeakPolarHBondContact CA-O 3.38Å; T847-G995 WeakPolarHBondContact OG1-CA 3.46Å; D993-G995 PolarHBondContact O-N 3.28Å; G995-A1012 PolarHBondContact N-O 2.82Å |
| 996 | S | 96.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -66.5 | 150.3 | 175.8 | -84.9 | 0 | 0 | 0 | 0 | 113.4 | Q813 G829 S939 D993 S994 I1011 A1012 | Q813-S996 PolarHBondContact NE2-OG 2.85Å; G829-S996 WeakPolarHBondContact CA-OG 3.46Å; S939-S996 WeakPolarHBondContact O-CB 3.35Å; S939-S996 PolarHBondContact O-OG 3.47Å; D993-S996 WeakPolarHBondContact O-CB 3.19Å; D993-S996 PolarHBondContact O-N 3.46Å; D993-S996 PolarHBondContact O-OG 2.77Å; S994-S996 VanDerWaalsContact C-N 3.29Å; S994-S996 PolarHBondContact O-N 2.98Å; S996-I1011 WeakPolarHBondContact O-CA 3.33Å; S996-A1012 PolarHBondContact O-N 2.69Å | ||
| 997 | P | 97.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 140.6 | 179.5 | 32.9 | -36.6 | 0 | 0 | 0 | 112.5 | V999 Q1008 | P997-V999 HydrophobicContact CB-CG1 3.91Å; P997-V999 HydrophobicContact CG-CG1 4.41Å; P997-Q1008 HydrophobicContact CB-CG 3.82Å |
| 998 | L | 97 | Very high | 91.2 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 111.4 | 160.6 | -175.7 | 155.2 | 0 | 0 | 0 | 108.5 | C936 F937 V938 V959 V961 F978 A980 Q1008 Y1009 G1010 Y1027 | C936-L998 HydrophobicContact CB-CD2 3.54Å; C936-L998 HydrophobicContact CB-CG 4.18Å; F937-L998 CarbonylContact O-C 3.6Å; F937-L998 WeakPolarHBondContact O-CA 3.46Å; V938-L998 HydrophobicContact CG2-CB 3.82Å; V938-L998 HydrophobicContact CG2-CD1 3.84Å; V938-L998 HydrophobicContact CG2-CG 3.8Å; V959-L998 HydrophobicContact CG2-CD1 3.75Å; V959-L998 HydrophobicContact CG2-CG 4.29Å; V961-L998 HydrophobicContact CG2-CD2 4.22Å; F978-L998 HydrophobicContact CE2-CD1 4.27Å; F978-L998 HydrophobicContact CZ-CD1 4.42Å; F978-L998 HydrophobicContact CZ-CD2 4.34Å; A980-L998 HydrophobicContact CB-CD1 3.39Å; L998-Q1008 WeakPolarHBondContact O-CA 2.95Å; L998-Y1009 PolarHBondContact O-N 2.97Å; L998-G1010 PolarHBondContact N-O 3.34Å; L998-G1010 PolarHBondContact O-N 3.34Å; L998-Y1027 HydrophobicContact CB-CD1 3.84Å; L998-Y1027 HydrophobicContact CB-CE1 4.12Å; L998-Y1027 HydrophobicContact CD1-CD1 3.74Å; L998-Y1027 HydrophobicContact CD1-CD2 4.05Å; L998-Y1027 HydrophobicContact CD1-CE1 3.8Å; L998-Y1027 HydrophobicContact CD1-CE2 4.13Å; L998-Y1027 HydrophobicContact CD1-CG 3.9Å; L998-Y1027 HydrophobicContact CG-CD1 4.45Å |
| 999 | V | 96.2 | Very high | 91.8 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 133 | -173.1 | -55.9 | 0 | 0 | 0 | 0 | 112.7 | W812 V921 C936 F937 P997 Y1006 Y1007 Q1008 | W812-V999 HydrophobicContact CZ2-CG2 4.46Å; V921-V999 HydrophobicContact CG2-CG1 3.87Å; C936-V999 CarbonylContact C-O 3.56Å; C936-V999 WeakPolarHBondContact CA-O 3.41Å; C936-V999 WeakPolarHBondContact CB-O 3.38Å; F937-V999 HydrophobicContact CB-CG2 4.25Å; F937-V999 PolarHBondContact N-O 3.31Å; F937-V999 PolarHBondContact O-N 3.18Å; P997-V999 HydrophobicContact CB-CG1 3.91Å; P997-V999 HydrophobicContact CG-CG1 4.41Å; V999-Y1006 HydrophobicContact CB-CD1 4.28Å; V999-Y1006 HydrophobicContact CG2-CD1 3.91Å; V999-Y1007 CarbonylContact C-O 3.51Å; V999-Y1007 VanDerWaalsContact CA-O 3.3Å; V999-Y1007 WeakPolarHBondContact CA-O 3.45Å; V999-Q1008 HydrophobicContact CG1-CB 4.21Å |
| 1000 | C | 94.3 | Very high | 92.2 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 3% | 0.027 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 137.9 | 178.9 | -48.7 | 0 | 0 | 0 | 0 | 109.8 | P931 C936 Y1007 Y1009 | P931-C1000 HydrophobicContact CG-CB 4.36Å; C936-C1000 HydrophobicContact CB-CB 4Å; C936-C1000 WeakPolarHBondContact CB-SG 3.22Å; C936-C1000 WeakPolarHBondContact SG-CB 3.27Å; C936-C1000 CovalentContact SG-SG 2.03Å; C936-C1000 PolarHBondContact SG-SG 2.99Å; C1000-Y1007 PolarHBondContact N-O 2.99Å; C1000-Y1007 PolarHBondContact O-N 3.24Å; C1000-Y1009 HydrophobicContact CB-CD2 3.81Å; C1000-Y1009 HydrophobicContact CB-CE2 3.76Å; C1000-Y1009 WeakPolarHBondContact SG-CD2 3.42Å |
| 1001 | L | 90.3 | Very high | 92.7 | Very high | 72 Ų | 72 | 33.2 Ų | 33.2 | 38% | 0.377 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 118 | 176.6 | 179 | 66.4 | 0 | 0 | 0 | 110 | Y1006 | L1001-Y1006 HydrophobicContact CB-CD1 4.28Å; L1001-Y1006 HydrophobicContact CB-CE1 3.91Å; L1001-Y1006 HydrophobicContact CD1-CD2 3.99Å; L1001-Y1006 HydrophobicContact CD1-CE1 4.4Å; L1001-Y1006 HydrophobicContact CD1-CE2 3.73Å; L1001-Y1006 HydrophobicContact CD1-CG 4.43Å |
| 1002 | R | 87 | Confident | 93.2 | Very high | 110 Ų | 110 | 29.4 Ų | 29.4 | 42% | 0.415 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 125.5 | 176.4 | -172.8 | 177.2 | -179 | -134 | 12.6 | 109.7 | E928 G1004 R1005 Y1007 | E928-R1002 IonicContact OE1-CZ 3.63Å; E928-R1002 IonicContact OE1-NE 3.09Å; E928-R1002 IonicContact OE1-NH1 3.75Å; E928-R1002 PolarHBondContact OE1-NH1 3.26Å; E928-R1002 IonicContact OE1-NH2 2.74Å; E928-R1002 IonicContact OE2-NH1 3.87Å; R1002-G1004 PolarHBondContact O-N 2.89Å; R1002-G1004 VanDerWaalsContact O-N 3.16Å; R1002-R1005 PolarHBondContact N-O 3.17Å; R1002-R1005 PolarHBondContact O-N 3.16Å; R1002-Y1007 HydrophobicContact CB-CD2 3.96Å; R1002-Y1007 HydrophobicContact CB-CE2 4.21Å |
| 1003 | N | 83.1 | Confident | 93.6 | Very high | 152 Ų | 152 | 28.6 Ų | 28.6 | 81% | 0.813 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 41.3 | 177.8 | -56.8 | -6.2 | 0 | 0 | 0 | 113.7 | R1005 | N1003-R1005 VanDerWaalsContact C-N 3.31Å; N1003-R1005 PolarHBondContact O-N 2.79Å |
| 1004 | G | 81.8 | Confident | 93.6 | Very high | 59 Ų | 59 | 31.2 Ų | 31.2 | 61% | 0.608 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.8 | -9.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | R1002 | R1002-G1004 PolarHBondContact O-N 2.89Å; R1002-G1004 VanDerWaalsContact O-N 3.16Å |
| 1005 | R | 89.2 | Confident | 93.3 | Very high | 93 Ų | 93 | 31.5 Ų | 31.5 | 35% | 0.351 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 148.9 | 177.7 | -55.9 | -168.3 | -177.7 | 118.4 | -1.2 | 111.9 | E782 V785 R1002 N1003 Y1007 | E782-R1005 IonicContact OE1-CZ 3.51Å; E782-R1005 IonicContact OE1-NH2 3.4Å; E782-R1005 PolarHBondContact OE1-NH2 3Å; E782-R1005 IonicContact OE2-CZ 3.68Å; E782-R1005 IonicContact OE2-NE 2.9Å; E782-R1005 PolarHBondContact OE2-NE 3.01Å; E782-R1005 IonicContact OE2-NH2 2.76Å; E782-R1005 PolarHBondContact OE2-NH2 2.81Å; V785-R1005 HydrophobicContact CG2-CG 3.84Å; R1002-R1005 PolarHBondContact N-O 3.17Å; R1002-R1005 PolarHBondContact O-N 3.16Å; N1003-R1005 VanDerWaalsContact C-N 3.31Å; N1003-R1005 PolarHBondContact O-N 2.79Å; R1005-Y1007 HydrophobicContact CB-CE2 4.01Å |
| 1006 | Y | 94.3 | Very high | 92.8 | Very high | 15 Ų | 15 | 34.1 Ų | 34.1 | 6% | 0.059 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 126.4 | 175.5 | -74.8 | -91.1 | 0 | 0 | 0 | 111.7 | G784 V790 W812 V921 C922 F937 V999 L1001 | G784-Y1006 WeakPolarHBondContact CA-O 3.1Å; G784-Y1006 WeakPolarHBondContact O-CD2 3.28Å; G784-Y1006 PolarHBondContact O-N 3.04Å; V790-Y1006 HydrophobicContact CB-CE2 4.45Å; V790-Y1006 WeakPolarHBondContact CB-OH 3.38Å; V790-Y1006 HydrophobicContact CG2-CE2 4.11Å; W812-Y1006 AromaticContact CH2-CD2 3.63Å; W812-Y1006 HydrophobicContact CH2-CD2 3.63Å; W812-Y1006 HydrophobicContact CH2-CE2 4.45Å; W812-Y1006 AromaticContact CH2-CG 3.68Å; W812-Y1006 HydrophobicContact CH2-CG 3.68Å; W812-Y1006 HydrophobicContact CZ2-CD1 4.34Å; W812-Y1006 HydrophobicContact CZ2-CD2 4.23Å; W812-Y1006 AromaticContact CZ2-CG 3.89Å; W812-Y1006 HydrophobicContact CZ2-CG 3.89Å; V921-Y1006 VanDerWaalsContact CG2-O 3.28Å; V921-Y1006 WeakPolarHBondContact CG2-O 3.34Å; C922-Y1006 WeakPolarHBondContact CB-O 3.33Å; C922-Y1006 PolarHBondContact N-O 2.87Å; C922-Y1006 VanDerWaalsContact N-O 3.1Å; F937-Y1006 HydrophobicContact CD2-CE1 4.09Å; F937-Y1006 HydrophobicContact CE2-CE1 4.24Å; V999-Y1006 HydrophobicContact CB-CD1 4.28Å; V999-Y1006 HydrophobicContact CG2-CD1 3.91Å; L1001-Y1006 HydrophobicContact CB-CD1 4.28Å; L1001-Y1006 HydrophobicContact CB-CE1 3.91Å; L1001-Y1006 HydrophobicContact CD1-CD2 3.99Å; L1001-Y1006 HydrophobicContact CD1-CE1 4.4Å; L1001-Y1006 HydrophobicContact CD1-CE2 3.73Å; L1001-Y1006 HydrophobicContact CD1-CG 4.43Å |
| 1007 | Y | 95.9 | Very high | 92.3 | Very high | 45 Ų | 45 | 35.1 Ų | 35.1 | 18% | 0.176 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 133.4 | 177.8 | -73.1 | -101.7 | 0 | 0 | 0 | 110.7 | C922 V999 C1000 R1002 R1005 Y1009 | C922-Y1007 HydrophobicContact CB-CD1 3.49Å; C922-Y1007 VanDerWaalsContact CB-CD1 3.49Å; C922-Y1007 HydrophobicContact CB-CD2 4.24Å; C922-Y1007 HydrophobicContact CB-CE1 3.57Å; C922-Y1007 HydrophobicContact CB-CE2 4.31Å; C922-Y1007 HydrophobicContact CB-CG 3.84Å; C922-Y1007 CarbonylContact O-C 3.58Å; C922-Y1007 WeakPolarHBondContact O-CA 3.26Å; V999-Y1007 CarbonylContact C-O 3.51Å; V999-Y1007 VanDerWaalsContact CA-O 3.3Å; V999-Y1007 WeakPolarHBondContact CA-O 3.45Å; C1000-Y1007 PolarHBondContact N-O 2.99Å; C1000-Y1007 PolarHBondContact O-N 3.24Å; R1002-Y1007 HydrophobicContact CB-CD2 3.96Å; R1002-Y1007 HydrophobicContact CB-CE2 4.21Å; R1005-Y1007 HydrophobicContact CB-CE2 4.01Å; Y1007-Y1009 WeakPolarHBondContact O-CD2 3.24Å |
| 1008 | Q | 96.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 106.1 | 177.5 | -177.4 | -176 | -4.3 | 0 | 0 | 111.2 | S831 V921 C922 P924 P997 L998 V999 G1010 V1030 | S831-Q1008 VanDerWaalsContact CB-OE1 3.32Å; S831-Q1008 PolarHBondContact OG-NE2 2.95Å; S831-Q1008 PolarHBondContact OG-OE1 3.01Å; V921-Q1008 HydrophobicContact CG1-CB 3.73Å; V921-Q1008 VanDerWaalsContact CG1-OE1 3.24Å; V921-Q1008 HydrophobicContact CG2-CB 4.02Å; C922-Q1008 PolarHBondContact O-N 3.11Å; P924-Q1008 WeakPolarHBondContact CD-O 2.99Å; P997-Q1008 HydrophobicContact CB-CG 3.82Å; L998-Q1008 WeakPolarHBondContact O-CA 2.95Å; V999-Q1008 HydrophobicContact CG1-CB 4.21Å; Q1008-G1010 WeakPolarHBondContact CG-O 2.96Å; Q1008-G1010 PolarHBondContact NE2-O 2.95Å; Q1008-V1030 HydrophobicContact CG-CG2 4.3Å |
| 1009 | Y | 96.5 | Very high | 90.9 | Very high | 5 Ų | 5 | 36 Ų | 36 | 2% | 0.02 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -25.7 | 177.1 | -68.8 | -94.3 | 0 | 0 | 0 | 112.8 | P924 E928 L930 P931 F978 L998 C1000 Y1007 V1030 | P924-Y1009 HydrophobicContact CB-CD1 3.95Å; P924-Y1009 HydrophobicContact CB-CE1 3.76Å; P924-Y1009 HydrophobicContact CG-CD1 4.04Å; P924-Y1009 HydrophobicContact CG-CE1 4.35Å; E928-Y1009 HydrophobicContact CG-CE1 4.42Å; E928-Y1009 PolarHBondContact OE1-OH 3.09Å; L930-Y1009 HydrophobicContact CD2-CD1 4.14Å; P931-Y1009 HydrophobicContact CG-CD1 4.16Å; P931-Y1009 HydrophobicContact CG-CD2 3.96Å; P931-Y1009 HydrophobicContact CG-CE1 4.1Å; P931-Y1009 HydrophobicContact CG-CE2 3.92Å; P931-Y1009 HydrophobicContact CG-CG 4.05Å; F978-Y1009 WeakPolarHBondContact CE1-O 2.98Å; L998-Y1009 PolarHBondContact O-N 2.97Å; C1000-Y1009 HydrophobicContact CB-CD2 3.81Å; C1000-Y1009 HydrophobicContact CB-CE2 3.76Å; C1000-Y1009 WeakPolarHBondContact SG-CD2 3.42Å; Y1007-Y1009 WeakPolarHBondContact O-CD2 3.24Å; Y1009-V1030 WeakPolarHBondContact O-CB 3.33Å; Y1009-V1030 WeakPolarHBondContact O-CG2 3.46Å; Y1009-V1030 PolarHBondContact O-N 3.16Å |
| 1010 | G | 96.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 158.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L998 Q1008 T1028 | L998-G1010 PolarHBondContact N-O 3.34Å; L998-G1010 PolarHBondContact O-N 3.34Å; Q1008-G1010 WeakPolarHBondContact CG-O 2.96Å; Q1008-G1010 PolarHBondContact NE2-O 2.95Å; G1010-T1028 WeakPolarHBondContact CA-O 2.99Å |
| 1011 | I | 97.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 125.9 | 165.1 | -61.9 | 161.3 | 0 | 0 | 0 | 106.7 | L846 A848 I903 S996 S1013 Y1027 T1028 V1030 | L846-I1011 HydrophobicContact CD1-CD1 4.17Å; L846-I1011 HydrophobicContact CD2-CD1 3.95Å; L846-I1011 HydrophobicContact CD2-CG1 4.45Å; L846-I1011 HydrophobicContact CG-CD1 3.75Å; L846-I1011 HydrophobicContact CG-CG1 4.44Å; A848-I1011 HydrophobicContact CB-CG2 4.07Å; I903-I1011 HydrophobicContact CB-CD1 4.26Å; I903-I1011 HydrophobicContact CD1-CD1 3.71Å; I903-I1011 HydrophobicContact CG1-CD1 3.58Å; S996-I1011 WeakPolarHBondContact O-CA 3.33Å; I1011-S1013 PolarHBondContact O-N 3.43Å; I1011-Y1027 CarbonylContact O-C 3.59Å; I1011-Y1027 WeakPolarHBondContact O-CA 3.03Å; I1011-T1028 PolarHBondContact N-O 3.21Å; I1011-T1028 PolarHBondContact O-N 3.21Å; I1011-V1030 HydrophobicContact CD1-CG2 3.94Å; I1011-V1030 HydrophobicContact CG1-CG2 3.72Å |
| 1012 | A | 96.6 | Very high | 89.5 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 2% | 0.017 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 118.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | D993 G995 S996 Y1027 | D993-A1012 WeakPolarHBondContact O-CB 3.34Å; G995-A1012 PolarHBondContact N-O 2.82Å; S996-A1012 PolarHBondContact O-N 2.69Å; A1012-Y1027 HydrophobicContact CB-CD1 4.08Å; A1012-Y1027 HydrophobicContact CB-CE1 3.8Å |
| 1013 | S | 95.6 | Very high | 89.5 | Confident | 9 Ų | 9 | 46.5 Ų | 46.5 | 6% | 0.063 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | -62 | -171.4 | 176.7 | 0 | 0 | 0 | 0 | 112.4 | H850 D902 I1011 V1026 | H850-S1013 PolarHBondContact CE1-O 2.77Å; D902-S1013 WeakPolarHBondContact CB-OG 3.41Å; D902-S1013 WeakPolarHBondContact OD2-CB 3.42Å; D902-S1013 PolarHBondContact OD2-OG 3.33Å; I1011-S1013 PolarHBondContact O-N 3.43Å; S1013-V1026 WeakPolarHBondContact CB-O 3.03Å; S1013-V1026 PolarHBondContact N-O 2.87Å |
| 1014 | F | 92.7 | Very high | 89.8 | Confident | 58 Ų | 58 | 39.3 Ų | 39.3 | 25% | 0.254 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 169.3 | 179.5 | 70.1 | -85.6 | 0 | 0 | 0 | 112.8 | K899 Y968 I969 M977 V1026 | K899-F1014 HydrophobicContact CB-CD1 3.62Å; K899-F1014 HydrophobicContact CB-CE1 3.61Å; K899-F1014 HydrophobicContact CB-CG 4.48Å; K899-F1014 HydrophobicContact CB-CZ 4.46Å; K899-F1014 HydrophobicContact CG-CD1 3.73Å; K899-F1014 HydrophobicContact CG-CE1 3.99Å; K899-F1014 HydrophobicContact CG-CG 4.11Å; Y968-F1014 WeakPolarHBondContact OH-CE2 3.43Å; I969-F1014 HydrophobicContact CG2-CE2 4.41Å; I969-F1014 HydrophobicContact CG2-CZ 4.02Å; M977-F1014 HydrophobicContact CE-CE1 4.24Å; M977-F1014 HydrophobicContact SD-CE1 3.87Å; M977-F1014 HydrophobicContact SD-CZ 4.08Å; F1014-V1026 HydrophobicContact CD1-CB 4.05Å; F1014-V1026 HydrophobicContact CD1-CG1 4.14Å; F1014-V1026 HydrophobicContact CD2-CB 4.32Å; F1014-V1026 HydrophobicContact CD2-CG2 4.31Å; F1014-V1026 HydrophobicContact CE1-CB 3.82Å; F1014-V1026 HydrophobicContact CE1-CG1 3.51Å; F1014-V1026 HydrophobicContact CE1-CG2 4.39Å; F1014-V1026 HydrophobicContact CE2-CB 4.1Å; F1014-V1026 HydrophobicContact CE2-CG1 4.43Å; F1014-V1026 HydrophobicContact CE2-CG2 3.85Å; F1014-V1026 HydrophobicContact CG-CB 4.3Å; F1014-V1026 HydrophobicContact CZ-CB 3.85Å; F1014-V1026 HydrophobicContact CZ-CG1 3.69Å; F1014-V1026 HydrophobicContact CZ-CG2 3.9Å; F1014-V1026 PolarHBondContact N-O 2.97Å; F1014-V1026 WeakPolarHBondContact O-CA 3.33Å; F1014-V1026 WeakPolarHBondContact O-CB 3.48Å; F1014-V1026 PolarHBondContact O-N 3.18Å |
| 1015 | G | 87.9 | Confident | 90.3 | Very high | 37 Ų | 37 | 36.5 Ų | 36.5 | 38% | 0.381 | 18% | 0.18 | S | C | . | . | trans | -168.9 | 169.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1016 | V | 86.4 | Confident | 90.5 | Very high | 55 Ų | 55 | 32.1 Ų | 32.1 | 33% | 0.333 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -105.8 | 95.2 | 176.1 | -177.7 | 0 | 0 | 0 | 0 | 108.8 | Y968 R1020 Y1023 | Y968-V1016 HydrophobicContact CE2-CG2 4.4Å; V1016-R1020 VanDerWaalsContact O-CD 3.26Å; V1016-R1020 WeakPolarHBondContact O-CD 3.17Å; V1016-R1020 WeakPolarHBondContact O-CG 3.4Å; V1016-Y1023 HydrophobicContact CB-CD1 3.76Å; V1016-Y1023 HydrophobicContact CB-CE1 4.47Å; V1016-Y1023 HydrophobicContact CB-CG 3.88Å; V1016-Y1023 HydrophobicContact CG1-CD1 4.22Å; V1016-Y1023 HydrophobicContact CG1-CG 4.26Å; V1016-Y1023 HydrophobicContact CG2-CD1 3.84Å; V1016-Y1023 HydrophobicContact CG2-CE1 4.35Å; V1016-Y1023 HydrophobicContact CG2-CG 4.46Å |
| 1017 | G | 85.8 | Confident | 90.7 | Very high | 21 Ų | 21 | 31.4 Ų | 31.4 | 22% | 0.216 | 16% | 0.161 | C | C | . | . | S | Bend | trans | 73.6 | -160.2 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E946 | E946-G1017 WeakPolarHBondContact OE2-CA 3.32Š|
| 1018 | C | 85.6 | Confident | 90.7 | Very high | 8 Ų | 8 | 29.4 Ų | 29.4 | 5% | 0.054 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -123.7 | 107.8 | 175.9 | -52.5 | 0 | 0 | 0 | 0 | 110.9 | V800 E946 C990 Q991 R1020 | V800-C1018 HydrophobicContact CG2-CB 4.32Å; E946-C1018 HydrophobicContact CB-CB 4.07Å; E946-C1018 PolarHBondContact OE2-N 3.27Å; C990-C1018 WeakPolarHBondContact CA-SG 3.47Å; C990-C1018 HydrophobicContact CB-CB 3.72Å; C990-C1018 WeakPolarHBondContact CB-SG 3.32Å; C990-C1018 WeakPolarHBondContact SG-CB 3.26Å; C990-C1018 CovalentContact SG-SG 2.03Å; C990-C1018 PolarHBondContact SG-SG 3.2Å; Q991-C1018 PolarHBondContact NE2-SG 2.88Å; C1018-R1020 VanDerWaalsContact C-N 3.32Å; C1018-R1020 PolarHBondContact O-N 2.93Å |
| 1019 | G | 78.5 | Confident | 90.6 | Very high | 9 Ų | 9 | 29.7 Ų | 29.7 | 9% | 0.093 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 63.2 | 38.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G985 K986 D988 | G985-G1019 CarbonylContact C-O 3.46Å; G985-G1019 VanDerWaalsContact CA-O 3.25Å; G985-G1019 WeakPolarHBondContact CA-O 3.23Å; K986-G1019 PolarHBondContact N-O 3.41Å; D988-G1019 VanDerWaalsContact CB-CA 3.5Å; D988-G1019 PolarHBondContact OD2-N 2.75Å |
| 1020 | R | 84.5 | Confident | 90.6 | Very high | 109 Ų | 109 | 29.5 Ų | 29.5 | 41% | 0.411 | 15% | 0.154 | S | C | . | . | B | Isolated β-bridge | trans | -73.7 | 143.6 | 169.9 | -64.4 | -169 | -178.6 | -178.2 | -1.3 | 109.6 | E946 V1016 C1018 Y1022 Y1023 | E946-R1020 IonicContact OE1-CZ 2.73Å; E946-R1020 IonicContact OE1-NE 2.77Å; E946-R1020 IonicContact OE1-NH2 3.63Å; E946-R1020 PolarHBondContact OE1-NH2 3.24Å; E946-R1020 IonicContact OE2-CZ 3.57Å; E946-R1020 IonicContact OE2-NE 3.15Å; E946-R1020 PolarHBondContact OE2-NE 3.01Å; E946-R1020 IonicContact OE2-NH2 2.63Å; E946-R1020 PolarHBondContact OE2-NH2 3.4Å; V1016-R1020 VanDerWaalsContact O-CD 3.26Å; V1016-R1020 WeakPolarHBondContact O-CD 3.17Å; V1016-R1020 WeakPolarHBondContact O-CG 3.4Å; C1018-R1020 VanDerWaalsContact C-N 3.32Å; C1018-R1020 PolarHBondContact O-N 2.93Å; R1020-Y1022 PolarHBondContact O-N 3.05Å; R1020-Y1023 HydrophobicContact CB-CD2 4.47Å; R1020-Y1023 PolarHBondContact O-N 3Å |
| 1021 | P | 82.6 | Confident | 90.4 | Very high | 65 Ų | 65 | 31.7 Ų | 31.7 | 42% | 0.422 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | 140 | 172.8 | -23.6 | 33.8 | 0 | 0 | 0 | 111.5 | Y1023 | P1021-Y1023 WeakPolarHBondContact O-CD2 3.48Å; P1021-Y1023 PolarHBondContact O-N 2.93Å; P1021-Y1023 VanDerWaalsContact O-N 3.09Å |
| 1022 | Y | 84.4 | Confident | 90.2 | Very high | 128 Ų | 128 | 33.4 Ų | 33.4 | 50% | 0.502 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | -5.2 | -178.8 | -40.6 | -73 | 0 | 0 | 0 | 116.4 | Y983 M984 R1020 P1024 | Y983-Y1022 HydrophobicContact CE1-CD1 4.14Å; Y983-Y1022 HydrophobicContact CE1-CE1 4.31Å; Y983-Y1022 HydrophobicContact CE2-CD1 4.3Å; Y983-Y1022 AromaticContact CZ-CD1 3.83Å; Y983-Y1022 PolarHBondContact O-N 3.4Å; M984-Y1022 HydrophobicContact CE-CD1 4.34Å; M984-Y1022 HydrophobicContact CE-CE1 3.62Å; R1020-Y1022 PolarHBondContact O-N 3.05Å; Y1022-P1024 VanDerWaalsContact C-CD 3.41Å; Y1022-P1024 VanDerWaalsContact O-CD 3.32Å; Y1022-P1024 WeakPolarHBondContact O-CD 3.45Å |
| 1023 | Y | 87.4 | Confident | 90.1 | Very high | 106 Ų | 106 | 34.1 Ų | 34.1 | 42% | 0.416 | 18% | 0.178 | S | C | . | . | B | Isolated β-bridge | trans | -121.6 | 72.4 | 177.3 | -62.1 | -79.9 | 0 | 0 | 0 | 110.9 | Y968 V1016 R1020 P1021 | Y968-Y1023 HydrophobicContact CD2-CD1 4.39Å; Y968-Y1023 HydrophobicContact CG-CD1 4.38Å; V1016-Y1023 HydrophobicContact CB-CD1 3.76Å; V1016-Y1023 HydrophobicContact CB-CE1 4.47Å; V1016-Y1023 HydrophobicContact CB-CG 3.88Å; V1016-Y1023 HydrophobicContact CG1-CD1 4.22Å; V1016-Y1023 HydrophobicContact CG1-CG 4.26Å; V1016-Y1023 HydrophobicContact CG2-CD1 3.84Å; V1016-Y1023 HydrophobicContact CG2-CE1 4.35Å; V1016-Y1023 HydrophobicContact CG2-CG 4.46Å; R1020-Y1023 HydrophobicContact CB-CD2 4.47Å; R1020-Y1023 PolarHBondContact O-N 3Å; P1021-Y1023 WeakPolarHBondContact O-CD2 3.48Å; P1021-Y1023 PolarHBondContact O-N 2.93Å; P1021-Y1023 VanDerWaalsContact O-N 3.09Å |
| 1024 | P | 89.4 | Confident | 90 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.013 | 18% | 0.177 | C | C | . | . | trans | -63 | 157.1 | 170.5 | 30.2 | -38.2 | 0 | 0 | 0 | 111.5 | L962 Y968 C979 Y1022 | L962-P1024 HydrophobicContact CD1-CB 3.54Å; L962-P1024 HydrophobicContact CD1-CG 3.54Å; Y968-P1024 HydrophobicContact CD1-CG 4.34Å; Y968-P1024 WeakPolarHBondContact CE1-O 3.48Å; C979-P1024 HydrophobicContact CB-CB 4.28Å; C979-P1024 HydrophobicContact CB-CG 3.75Å; Y1022-P1024 VanDerWaalsContact C-CD 3.41Å; Y1022-P1024 VanDerWaalsContact O-CD 3.32Å; Y1022-P1024 WeakPolarHBondContact O-CD 3.45Å | ||
| 1025 | G | 91.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 148.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | C979 A980 D988 Y1027 | C979-G1025 WeakPolarHBondContact CA-O 3.47Å; A980-G1025 PolarHBondContact N-O 3.05Å; A980-G1025 PolarHBondContact O-N 3.43Å; D988-G1025 WeakPolarHBondContact OD1-CA 3.47Å; D988-G1025 PolarHBondContact OD1-N 2.7Å; D988-G1025 PolarHBondContact OD2-N 3.31Å; G1025-Y1027 VanDerWaalsContact C-CE2 3.46Å; G1025-Y1027 WeakPolarHBondContact O-CD2 3.43Å; G1025-Y1027 WeakPolarHBondContact O-CE2 3.25Å |
| 1026 | V | 94.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 132.7 | 177.1 | -176.1 | 0 | 0 | 0 | 0 | 109.5 | Y968 I969 M977 S1013 F1014 | Y968-V1026 HydrophobicContact CE1-CG2 3.63Å; Y968-V1026 WeakPolarHBondContact OH-CG2 3.02Å; I969-V1026 HydrophobicContact CD1-CG1 4.04Å; I969-V1026 HydrophobicContact CG2-CG1 4.21Å; I969-V1026 HydrophobicContact CG2-CG2 3.69Å; M977-V1026 HydrophobicContact CB-CG1 4.02Å; M977-V1026 HydrophobicContact CG-CG1 4.39Å; M977-V1026 HydrophobicContact SD-CG1 3.97Å; S1013-V1026 WeakPolarHBondContact CB-O 3.03Å; S1013-V1026 PolarHBondContact N-O 2.87Å; F1014-V1026 HydrophobicContact CD1-CB 4.05Å; F1014-V1026 HydrophobicContact CD1-CG1 4.14Å; F1014-V1026 HydrophobicContact CD2-CB 4.32Å; F1014-V1026 HydrophobicContact CD2-CG2 4.31Å; F1014-V1026 HydrophobicContact CE1-CB 3.82Å; F1014-V1026 HydrophobicContact CE1-CG1 3.51Å; F1014-V1026 HydrophobicContact CE1-CG2 4.39Å; F1014-V1026 HydrophobicContact CE2-CB 4.1Å; F1014-V1026 HydrophobicContact CE2-CG1 4.43Å; F1014-V1026 HydrophobicContact CE2-CG2 3.85Å; F1014-V1026 HydrophobicContact CG-CB 4.3Å; F1014-V1026 HydrophobicContact CZ-CB 3.85Å; F1014-V1026 HydrophobicContact CZ-CG1 3.69Å; F1014-V1026 HydrophobicContact CZ-CG2 3.9Å; F1014-V1026 PolarHBondContact N-O 2.97Å; F1014-V1026 WeakPolarHBondContact O-CA 3.33Å; F1014-V1026 WeakPolarHBondContact O-CB 3.48Å; F1014-V1026 PolarHBondContact O-N 3.18Å |
| 1027 | Y | 96.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 135.5 | -171.7 | -61 | -100.7 | 0 | 0 | 0 | 110.1 | V938 M977 F978 A980 S989 L998 I1011 A1012 G1025 N1029 | V938-Y1027 HydrophobicContact CG1-CE1 4.28Å; V938-Y1027 HydrophobicContact CG2-CE1 3.57Å; M977-Y1027 CarbonylContact C-O 3.52Å; M977-Y1027 WeakPolarHBondContact CA-O 3.45Å; M977-Y1027 WeakPolarHBondContact CB-O 3.31Å; F978-Y1027 PolarHBondContact N-O 2.94Å; F978-Y1027 PolarHBondContact O-N 3.37Å; A980-Y1027 HydrophobicContact CB-CD2 3.79Å; A980-Y1027 HydrophobicContact CB-CE2 3.71Å; A980-Y1027 WeakPolarHBondContact O-CE2 3.48Å; S989-Y1027 PolarHBondContact OG-OH 3.13Å; L998-Y1027 HydrophobicContact CB-CD1 3.84Å; L998-Y1027 HydrophobicContact CB-CE1 4.12Å; L998-Y1027 HydrophobicContact CD1-CD1 3.74Å; L998-Y1027 HydrophobicContact CD1-CD2 4.05Å; L998-Y1027 HydrophobicContact CD1-CE1 3.8Å; L998-Y1027 HydrophobicContact CD1-CE2 4.13Å; L998-Y1027 HydrophobicContact CD1-CG 3.9Å; L998-Y1027 HydrophobicContact CG-CD1 4.45Å; I1011-Y1027 CarbonylContact O-C 3.59Å; I1011-Y1027 WeakPolarHBondContact O-CA 3.03Å; A1012-Y1027 HydrophobicContact CB-CD1 4.08Å; A1012-Y1027 HydrophobicContact CB-CE1 3.8Å; G1025-Y1027 VanDerWaalsContact C-CE2 3.46Å; G1025-Y1027 WeakPolarHBondContact O-CD2 3.43Å; G1025-Y1027 WeakPolarHBondContact O-CE2 3.25Å; Y1027-N1029 PolarHBondContact O-N 3.04Å |
| 1028 | T | 96.5 | Very high | 90.7 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.018 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 130.2 | 173.4 | -51.4 | 0 | 0 | 0 | 0 | 109.6 | D902 I903 G1010 I1011 V1030 Y1033 | D902-T1028 PolarHBondContact O-OG1 3.03Å; I903-T1028 HydrophobicContact CB-CG2 4.13Å; G1010-T1028 WeakPolarHBondContact CA-O 2.99Å; I1011-T1028 PolarHBondContact N-O 3.21Å; I1011-T1028 PolarHBondContact O-N 3.21Å; T1028-V1030 PolarHBondContact O-N 2.99Å; T1028-V1030 VanDerWaalsContact O-N 3.09Å; T1028-Y1033 HydrophobicContact CG2-CD2 4.1Å; T1028-Y1033 HydrophobicContact CG2-CE2 3.43Å; T1028-Y1033 VanDerWaalsContact CG2-CE2 3.43Å |
| 1029 | N | 95.3 | Very high | 91 | Very high | 6 Ų | 6 | 40 Ų | 40 | 3% | 0.032 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 93.3 | -174.8 | -173.8 | 4 | 0 | 0 | 0 | 111.2 | Q975 A976 F978 Y1027 K1031 S1032 Y1033 | Q975-N1029 PolarHBondContact O-ND2 3.49Å; A976-N1029 WeakPolarHBondContact O-CB 3.4Å; A976-N1029 PolarHBondContact O-N 2.84Å; F978-N1029 HydrophobicContact CD1-CB 3.98Å; F978-N1029 HydrophobicContact CE1-CB 4.43Å; Y1027-N1029 PolarHBondContact O-N 3.04Å; N1029-K1031 PolarHBondContact O-N 3.12Å; N1029-K1031 VanDerWaalsContact O-N 3.16Å; N1029-K1031 WeakPolarHBondContact OD1-CB 3.32Å; N1029-S1032 PolarHBondContact ND2-OG 2.7Å; N1029-S1032 WeakPolarHBondContact O-CB 3.41Å; N1029-S1032 PolarHBondContact O-N 2.98Å; N1029-Y1033 WeakPolarHBondContact O-CD2 3.42Å; N1029-Y1033 WeakPolarHBondContact O-CE2 3.29Å |
| 1030 | V | 95.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -54.7 | -39.6 | -171.9 | 176.6 | 0 | 0 | 0 | 0 | 112.3 | L846 L923 Q1008 Y1009 I1011 T1028 S1032 Y1033 T1034 M1037 | L846-V1030 HydrophobicContact CD2-CG1 4.16Å; L846-V1030 HydrophobicContact CD2-CG2 4.5Å; L923-V1030 HydrophobicContact CD2-CG1 3.85Å; Q1008-V1030 HydrophobicContact CG-CG2 4.3Å; Y1009-V1030 WeakPolarHBondContact O-CB 3.33Å; Y1009-V1030 WeakPolarHBondContact O-CG2 3.46Å; Y1009-V1030 PolarHBondContact O-N 3.16Å; I1011-V1030 HydrophobicContact CD1-CG2 3.94Å; I1011-V1030 HydrophobicContact CG1-CG2 3.72Å; T1028-V1030 PolarHBondContact O-N 2.99Å; T1028-V1030 VanDerWaalsContact O-N 3.09Å; V1030-S1032 PolarHBondContact O-N 2.82Å; V1030-Y1033 PolarHBondContact O-N 2.89Å; V1030-T1034 PolarHBondContact O-N 3.44Å; V1030-T1034 PolarHBondContact O-OG1 2.66Å; V1030-M1037 HydrophobicContact CG1-CE 3.67Å |
| 1031 | K | 93.4 | Very high | 91.6 | Very high | 47 Ų | 47 | 36 Ų | 36 | 20% | 0.204 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -45.7 | -46.5 | 173.9 | 177.3 | -150.4 | 171.2 | 163.3 | 0 | 112.5 | P924 M925 Q926 E928 N1029 Y1033 T1034 | P924-K1031 HydrophobicContact CG-CB 4.14Å; M925-K1031 WeakPolarHBondContact O-CG 3.43Å; Q926-K1031 WeakPolarHBondContact O-CE 3.41Å; E928-K1031 WeakPolarHBondContact O-CD 3.35Å; E928-K1031 WeakPolarHBondContact O-CE 3.34Å; E928-K1031 PolarHBondContact O-NZ 3.36Å; N1029-K1031 PolarHBondContact O-N 3.12Å; N1029-K1031 VanDerWaalsContact O-N 3.16Å; N1029-K1031 WeakPolarHBondContact OD1-CB 3.32Å; K1031-Y1033 PolarHBondContact O-N 2.82Å; K1031-T1034 PolarHBondContact O-N 2.75Å; K1031-T1034 PolarHBondContact O-OG1 2.89Å |
| 1032 | S | 93.5 | Very high | 91.7 | Very high | 35 Ų | 35 | 38.3 Ų | 38.3 | 25% | 0.245 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -66.7 | -20.5 | -173.9 | -62.1 | 0 | 0 | 0 | 0 | 112.6 | Q926 Q975 N1029 V1030 | Q926-S1032 PolarHBondContact NE2-O 2.75Å; Q975-S1032 PolarHBondContact O-OG 3.34Å; N1029-S1032 PolarHBondContact ND2-OG 2.7Å; N1029-S1032 WeakPolarHBondContact O-CB 3.41Å; N1029-S1032 PolarHBondContact O-N 2.98Å; V1030-S1032 PolarHBondContact O-N 2.82Å |
| 1033 | Y | 95 | Very high | 91.7 | Very high | 17 Ų | 17 | 35.5 Ų | 35.5 | 7% | 0.067 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -108.1 | 3.1 | -178.8 | -52.5 | -87.1 | 0 | 0 | 0 | 113.7 | T892 N901 I903 T1028 N1029 V1030 K1031 N1035 W1036 M1037 | T892-Y1033 HydrophobicContact CG2-CD1 3.89Å; T892-Y1033 HydrophobicContact CG2-CE1 3.92Å; N901-Y1033 WeakPolarHBondContact CA-OH 3.25Å; N901-Y1033 HydrophobicContact CB-CE1 4.44Å; N901-Y1033 PolarHBondContact OD1-OH 3.03Å; I903-Y1033 HydrophobicContact CD1-CD2 3.89Å; I903-Y1033 HydrophobicContact CD1-CG 3.85Å; I903-Y1033 HydrophobicContact CG2-CD1 3.85Å; I903-Y1033 HydrophobicContact CG2-CD2 4.35Å; I903-Y1033 HydrophobicContact CG2-CE1 4.01Å; I903-Y1033 HydrophobicContact CG2-CG 4.04Å; T1028-Y1033 HydrophobicContact CG2-CD2 4.1Å; T1028-Y1033 HydrophobicContact CG2-CE2 3.43Å; T1028-Y1033 VanDerWaalsContact CG2-CE2 3.43Å; N1029-Y1033 WeakPolarHBondContact O-CD2 3.42Å; N1029-Y1033 WeakPolarHBondContact O-CE2 3.29Å; V1030-Y1033 PolarHBondContact O-N 2.89Å; K1031-Y1033 PolarHBondContact O-N 2.82Å; Y1033-N1035 VanDerWaalsContact C-N 3.32Å; Y1033-N1035 PolarHBondContact O-N 3.14Å; Y1033-W1036 WeakPolarHBondContact O-CA 3.45Å; Y1033-W1036 WeakPolarHBondContact O-CB 3.38Å; Y1033-W1036 PolarHBondContact O-N 3.12Å; Y1033-M1037 WeakPolarHBondContact O-CG 3.12Å; Y1033-M1037 PolarHBondContact O-N 3.33Å |
| 1034 | T | 92.1 | Very high | 91 | Very high | 7 Ų | 7 | 31.2 Ų | 31.2 | 4% | 0.043 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -53.4 | -45.4 | -176.7 | -60.1 | 0 | 0 | 0 | 0 | 112.7 | P924 V1030 K1031 M1037 Q1038 | P924-T1034 PolarHBondContact O-OG1 3.34Å; V1030-T1034 PolarHBondContact O-N 3.44Å; V1030-T1034 PolarHBondContact O-OG1 2.66Å; K1031-T1034 PolarHBondContact O-N 2.75Å; K1031-T1034 PolarHBondContact O-OG1 2.89Å; T1034-M1037 PolarHBondContact O-N 2.83Å; T1034-Q1038 WeakPolarHBondContact O-CG 3.36Å; T1034-Q1038 PolarHBondContact O-N 3.28Å |
| 1035 | N | 91.3 | Very high | 90 | Very high | 72 Ų | 72 | 31.9 Ų | 31.9 | 39% | 0.385 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -70.9 | -32.1 | 179 | -56.6 | 14.9 | 0 | 0 | 0 | 112.7 | Q926 Y1033 R1039 | Q926-N1035 PolarHBondContact OE1-ND2 3.41Å; Q926-N1035 PolarHBondContact OE1-OD1 2.86Å; Y1033-N1035 VanDerWaalsContact C-N 3.32Å; Y1033-N1035 PolarHBondContact O-N 3.14Å; N1035-R1039 WeakPolarHBondContact O-CB 3.05Å; N1035-R1039 PolarHBondContact O-N 3.48Å; N1035-R1039 VanDerWaalsContact O-N 3.13Å |
| 1036 | W | 93.6 | Very high | 88.9 | Confident | 26 Ų | 26 | 37.3 Ų | 37.3 | 10% | 0.098 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.9 | -52.2 | 172.1 | 168 | 87.8 | 0 | 0 | 0 | 109.1 | T890 T892 I903 L905 Y1033 Q1038 R1039 E1040 | T890-W1036 HydrophobicContact CG2-CH2 4.25Å; T890-W1036 HydrophobicContact CG2-CZ2 3.89Å; T892-W1036 HydrophobicContact CG2-CD2 4.21Å; T892-W1036 HydrophobicContact CG2-CE3 4.48Å; T892-W1036 HydrophobicContact CG2-CH2 4.4Å; T892-W1036 HydrophobicContact CG2-CZ2 4.12Å; I903-W1036 HydrophobicContact CD1-CZ3 4.23Å; I903-W1036 HydrophobicContact CG1-CZ3 4.06Å; I903-W1036 HydrophobicContact CG2-CH2 4.49Å; I903-W1036 HydrophobicContact CG2-CZ3 4.15Å; L905-W1036 HydrophobicContact CB-CH2 4.03Å; L905-W1036 HydrophobicContact CB-CZ3 4.29Å; Y1033-W1036 WeakPolarHBondContact O-CA 3.45Å; Y1033-W1036 WeakPolarHBondContact O-CB 3.38Å; Y1033-W1036 PolarHBondContact O-N 3.12Å; W1036-Q1038 VanDerWaalsContact C-N 3.31Å; W1036-Q1038 PolarHBondContact O-N 3.1Å; W1036-R1039 VanDerWaalsContact CD1-NH2 3.29Å; W1036-R1039 PolarHBondContact O-N 3.12Å; W1036-E1040 HydrophobicContact CD2-CG 4.05Å; W1036-E1040 HydrophobicContact CG-CG 4.14Å; W1036-E1040 HydrophobicContact CZ2-CG 4.11Å; W1036-E1040 WeakPolarHBondContact O-CB 3.44Å; W1036-E1040 VanDerWaalsContact O-CG 3.29Å; W1036-E1040 WeakPolarHBondContact O-CG 3.37Å; W1036-E1040 PolarHBondContact O-N 3.14Å |
| 1037 | M | 93.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.8 | -41.8 | 178.5 | -67 | -171.6 | -69.5 | 0 | 0 | 112.8 | L835 L846 I903 L923 V1030 Y1033 T1034 A1041 | L835-M1037 HydrophobicContact CD1-CB 4.02Å; L835-M1037 HydrophobicContact CD2-CB 3.77Å; L846-M1037 HydrophobicContact CD1-CG 4.49Å; L846-M1037 HydrophobicContact CD1-SD 3.5Å; L846-M1037 WeakPolarHBondContact CD1-SD 3Å; L846-M1037 HydrophobicContact CD2-CE 4.43Å; L846-M1037 HydrophobicContact CD2-SD 3.62Å; L846-M1037 HydrophobicContact CG-SD 4.2Å; I903-M1037 HydrophobicContact CD1-SD 4.25Å; L923-M1037 HydrophobicContact CD1-CE 3.91Å; L923-M1037 HydrophobicContact CD1-SD 4.46Å; L923-M1037 HydrophobicContact CD2-CE 4.36Å; V1030-M1037 HydrophobicContact CG1-CE 3.67Å; Y1033-M1037 WeakPolarHBondContact O-CG 3.12Å; Y1033-M1037 PolarHBondContact O-N 3.33Å; T1034-M1037 PolarHBondContact O-N 2.83Å; M1037-A1041 WeakPolarHBondContact O-CB 3.33Å; M1037-A1041 PolarHBondContact O-N 3.21Å |
| 1038 | Q | 90.2 | Very high | 85.4 | Confident | 89 Ų | 89 | 42.9 Ų | 42.9 | 42% | 0.416 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.9 | -52.6 | 177.2 | -76 | 173.6 | -17.7 | 0 | 0 | 112 | L835 T1034 W1036 E1040 A1041 E1042 | L835-Q1038 HydrophobicContact CD2-CG 4.25Å; T1034-Q1038 WeakPolarHBondContact O-CG 3.36Å; T1034-Q1038 PolarHBondContact O-N 3.28Å; W1036-Q1038 VanDerWaalsContact C-N 3.31Å; W1036-Q1038 PolarHBondContact O-N 3.1Å; Q1038-E1040 PolarHBondContact O-N 3.04Å; Q1038-A1041 WeakPolarHBondContact O-CB 3.44Å; Q1038-A1041 PolarHBondContact O-N 2.95Å; Q1038-E1042 WeakPolarHBondContact O-CG 3.49Å; Q1038-E1042 PolarHBondContact O-N 2.77Å |
| 1039 | R | 90.3 | Very high | 83.7 | Confident | 119 Ų | 119 | 51 Ų | 51 | 45% | 0.449 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.3 | -44.6 | 179.3 | -177.1 | -169.5 | 62.2 | -115.1 | -5.6 | 112.2 | N1035 W1036 A1041 E1042 N1043 | N1035-R1039 WeakPolarHBondContact O-CB 3.05Å; N1035-R1039 PolarHBondContact O-N 3.48Å; N1035-R1039 VanDerWaalsContact O-N 3.13Å; W1036-R1039 VanDerWaalsContact CD1-NH2 3.29Å; W1036-R1039 PolarHBondContact O-N 3.12Å; R1039-A1041 VanDerWaalsContact C-N 3.33Å; R1039-A1041 PolarHBondContact O-N 3.12Å; R1039-E1042 PolarHBondContact O-N 3.18Å; R1039-N1043 WeakPolarHBondContact O-CB 3.47Å; R1039-N1043 VanDerWaalsContact O-CG 3.25Å; R1039-N1043 PolarHBondContact O-N 2.96Å; R1039-N1043 PolarHBondContact O-ND2 2.02Å |
| 1040 | E | 90.2 | Very high | 81.6 | Confident | 34 Ų | 34 | 57.2 Ų | 57.2 | 16% | 0.159 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 176.8 | -64.9 | -38 | 123.2 | 0 | 0 | 111.3 | T890 L905 W1036 Q1038 E1042 N1043 L1044 | T890-E1040 HydrophobicContact CG2-CB 3.91Å; T890-E1040 HydrophobicContact CG2-CG 4Å; L905-E1040 HydrophobicContact CD2-CB 4.2Å; W1036-E1040 HydrophobicContact CD2-CG 4.05Å; W1036-E1040 HydrophobicContact CG-CG 4.14Å; W1036-E1040 HydrophobicContact CZ2-CG 4.11Å; W1036-E1040 WeakPolarHBondContact O-CB 3.44Å; W1036-E1040 VanDerWaalsContact O-CG 3.29Å; W1036-E1040 WeakPolarHBondContact O-CG 3.37Å; W1036-E1040 PolarHBondContact O-N 3.14Å; Q1038-E1040 PolarHBondContact O-N 3.04Å; E1040-E1042 PolarHBondContact O-N 2.63Å; E1040-N1043 PolarHBondContact O-N 3.32Å; E1040-L1044 HydrophobicContact CB-CD1 4.46Å; E1040-L1044 VanDerWaalsContact O-CB 3.27Å; E1040-L1044 WeakPolarHBondContact O-CB 3.22Å; E1040-L1044 VanDerWaalsContact O-CD1 3.3Å; E1040-L1044 WeakPolarHBondContact O-CD1 3.31Å; E1040-L1044 WeakPolarHBondContact O-CG 3.41Å; E1040-L1044 PolarHBondContact O-N 3.41Å |
| 1041 | A | 86.9 | Confident | 79.2 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L835 T836 F844 L905 M1037 Q1038 R1039 N1045 | L835-A1041 HydrophobicContact CB-CB 3.55Å; L835-A1041 HydrophobicContact CD1-CB 3.85Å; L835-A1041 HydrophobicContact CG-CB 4.29Å; T836-A1041 HydrophobicContact CG2-CB 4.14Å; F844-A1041 HydrophobicContact CD1-CB 4.34Å; F844-A1041 HydrophobicContact CE1-CB 3.68Å; F844-A1041 HydrophobicContact CE2-CB 4.05Å; F844-A1041 HydrophobicContact CZ-CB 3.51Å; L905-A1041 HydrophobicContact CD2-CB 4.29Å; M1037-A1041 WeakPolarHBondContact O-CB 3.33Å; M1037-A1041 PolarHBondContact O-N 3.21Å; Q1038-A1041 WeakPolarHBondContact O-CB 3.44Å; Q1038-A1041 PolarHBondContact O-N 2.95Å; R1039-A1041 VanDerWaalsContact C-N 3.33Å; R1039-A1041 PolarHBondContact O-N 3.12Å; A1041-N1045 WeakPolarHBondContact O-CB 3.4Å; A1041-N1045 PolarHBondContact O-N 3.31Å |
| 1042 | E | 84.4 | Confident | 76.7 | Confident | 112 Ų | 112 | 64.6 Ų | 64.6 | 52% | 0.523 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62 | -50.3 | 175.4 | -73.5 | 171.8 | 171.7 | 0 | 0 | 111.8 | Q1038 R1039 E1040 L1044 N1045 Q1046 | Q1038-E1042 WeakPolarHBondContact O-CG 3.49Å; Q1038-E1042 PolarHBondContact O-N 2.77Å; R1039-E1042 PolarHBondContact O-N 3.18Å; E1040-E1042 PolarHBondContact O-N 2.63Å; E1042-L1044 VanDerWaalsContact C-N 3.34Å; E1042-L1044 PolarHBondContact O-N 2.72Å; E1042-N1045 PolarHBondContact O-N 3.24Å; E1042-Q1046 WeakPolarHBondContact O-CG 3.4Å; E1042-Q1046 PolarHBondContact O-N 3.43Å |
| 1043 | N | 83 | Confident | 74.2 | Confident | 69 Ų | 69 | 67.3 Ų | 67.3 | 37% | 0.369 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -56.1 | -47 | 176.3 | -70.8 | -18.7 | 0 | 0 | 0 | 111.8 | R1039 E1040 Q1046 Q1047 | R1039-N1043 WeakPolarHBondContact O-CB 3.47Å; R1039-N1043 VanDerWaalsContact O-CG 3.25Å; R1039-N1043 PolarHBondContact O-N 2.96Å; R1039-N1043 PolarHBondContact O-ND2 2.02Å; E1040-N1043 PolarHBondContact O-N 3.32Å; N1043-Q1046 PolarHBondContact O-N 2.99Å; N1043-Q1047 PolarHBondContact O-N 3.06Å |
| 1044 | L | 74.2 | Confident | 71 | Confident | 16 Ų | 16 | 76.1 Ų | 76.1 | 8% | 0.084 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -71.2 | -33.5 | -178.9 | -69.3 | 162.4 | 0 | 0 | 0 | 112.1 | T888 T890 V907 E1040 E1042 Q1046 Q1047 V1048 | T888-L1044 HydrophobicContact CG2-CD2 3.88Å; T890-L1044 HydrophobicContact CG2-CD1 3.85Å; V907-L1044 HydrophobicContact CG2-CB 3.96Å; V907-L1044 HydrophobicContact CG2-CD1 3.68Å; V907-L1044 HydrophobicContact CG2-CD2 4.33Å; V907-L1044 HydrophobicContact CG2-CG 4.2Å; E1040-L1044 HydrophobicContact CB-CD1 4.46Å; E1040-L1044 VanDerWaalsContact O-CB 3.27Å; E1040-L1044 WeakPolarHBondContact O-CB 3.22Å; E1040-L1044 VanDerWaalsContact O-CD1 3.3Å; E1040-L1044 WeakPolarHBondContact O-CD1 3.31Å; E1040-L1044 WeakPolarHBondContact O-CG 3.41Å; E1040-L1044 PolarHBondContact O-N 3.41Å; E1042-L1044 VanDerWaalsContact C-N 3.34Å; E1042-L1044 PolarHBondContact O-N 2.72Å; L1044-Q1046 VanDerWaalsContact C-N 3.33Å; L1044-Q1047 PolarHBondContact O-N 3.09Å; L1044-V1048 WeakPolarHBondContact O-CG2 3.49Å; L1044-V1048 PolarHBondContact O-N 2.68Å |
| 1045 | N | 67.2 | Low | 67.8 | Low | 16 Ų | 16 | 83.5 Ų | 83.5 | 9% | 0.086 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -70.1 | -30.9 | 175.9 | -142.6 | -11.7 | 0 | 0 | 0 | 111.6 | T836 A1041 E1042 V1048 R1049 | T836-N1045 PolarHBondContact OG1-ND2 2.9Å; A1041-N1045 WeakPolarHBondContact O-CB 3.4Å; A1041-N1045 PolarHBondContact O-N 3.31Å; E1042-N1045 PolarHBondContact O-N 3.24Å; N1045-V1048 PolarHBondContact O-N 2.86Å; N1045-R1049 WeakPolarHBondContact O-CB 3.45Å; N1045-R1049 VanDerWaalsContact O-CG 3.31Å; N1045-R1049 WeakPolarHBondContact O-CG 3.18Å; N1045-R1049 PolarHBondContact O-N 2.84Å |
| 1046 | Q | 68 | Low | 64.8 | Low | 114 Ų | 114 | 85.4 Ų | 85.4 | 53% | 0.533 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.8 | -47.5 | 170.3 | -68.9 | 178.6 | 18.4 | 0 | 0 | 111.3 | E1042 N1043 L1044 V1048 R1049 Q1050 | E1042-Q1046 WeakPolarHBondContact O-CG 3.4Å; E1042-Q1046 PolarHBondContact O-N 3.43Å; N1043-Q1046 PolarHBondContact O-N 2.99Å; L1044-Q1046 VanDerWaalsContact C-N 3.33Å; Q1046-V1048 VanDerWaalsContact C-N 3.33Å; Q1046-V1048 PolarHBondContact O-N 3.18Å; Q1046-R1049 PolarHBondContact O-N 2.59Å; Q1046-Q1050 WeakPolarHBondContact O-CG 3.13Å; Q1046-Q1050 PolarHBondContact O-N 3.48Å |
| 1047 | Q | 63.2 | Low | 61.7 | Low | 102 Ų | 102 | 90.1 Ų | 90.1 | 48% | 0.477 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.2 | -40.1 | 175.9 | -65.9 | 178.8 | 2.8 | 0 | 0 | 112.6 | N1043 L1044 T1051 | N1043-Q1047 PolarHBondContact O-N 3.06Å; L1044-Q1047 PolarHBondContact O-N 3.09Å; Q1047-T1051 PolarHBondContact O-N 3.32Å; Q1047-T1051 PolarHBondContact O-OG1 2.79Å |
| 1048 | V | 56.2 | Low | 58.6 | Low | 16 Ų | 16 | 97.5 Ų | 97.5 | 10% | 0.097 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -66.4 | -43.2 | 176 | 173 | 0 | 0 | 0 | 0 | 111.3 | V907 L1044 N1045 Q1046 T1051 M1052 | V907-V1048 HydrophobicContact CG1-CG2 4.19Å; L1044-V1048 WeakPolarHBondContact O-CG2 3.49Å; L1044-V1048 PolarHBondContact O-N 2.68Å; N1045-V1048 PolarHBondContact O-N 2.86Å; Q1046-V1048 VanDerWaalsContact C-N 3.33Å; Q1046-V1048 PolarHBondContact O-N 3.18Å; V1048-T1051 PolarHBondContact O-N 3.4Å; V1048-T1051 PolarHBondContact O-OG1 2.74Å; V1048-M1052 HydrophobicContact CG1-CG 4.22Å; V1048-M1052 HydrophobicContact CG1-SD 3.87Å; V1048-M1052 WeakPolarHBondContact O-CB 3.37Å; V1048-M1052 WeakPolarHBondContact O-CG 3.23Å; V1048-M1052 PolarHBondContact O-N 2.71Å |
| 1049 | R | 59.5 | Low | 55.6 | Low | 174 Ų | 174 | 103.5 Ų | 103.5 | 66% | 0.657 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.1 | -45.2 | 175.8 | -74.5 | 178.9 | -172.2 | -154.2 | 4.3 | 112.1 | N1045 Q1046 T1051 M1052 S1053 | N1045-R1049 WeakPolarHBondContact O-CB 3.45Å; N1045-R1049 VanDerWaalsContact O-CG 3.31Å; N1045-R1049 WeakPolarHBondContact O-CG 3.18Å; N1045-R1049 PolarHBondContact O-N 2.84Å; Q1046-R1049 PolarHBondContact O-N 2.59Å; R1049-T1051 PolarHBondContact O-N 2.83Å; R1049-M1052 PolarHBondContact O-N 3.35Å; R1049-S1053 WeakPolarHBondContact O-CB 3.46Å; R1049-S1053 PolarHBondContact O-N 3.08Å; R1049-S1053 PolarHBondContact O-OG 2.8Å |
| 1050 | Q | 51.2 | Low | 52.7 | Low | 137 Ų | 137 | 105.3 Ų | 105.3 | 64% | 0.64 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.9 | -22 | 179.1 | -73.2 | 169.6 | -10.6 | 0 | 0 | 114.1 | Q1046 S1053 | Q1046-Q1050 WeakPolarHBondContact O-CG 3.13Å; Q1046-Q1050 PolarHBondContact O-N 3.48Å; Q1050-S1053 PolarHBondContact O-OG 2.92Å |
| 1051 | T | 47.2 | Very low | 49.8 | Very low | 74 Ų | 74 | 108.8 Ų | 108.8 | 45% | 0.454 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -103.3 | -20.3 | 178.7 | 41 | 0 | 0 | 0 | 0 | 113.9 | R887 Q1047 V1048 R1049 | R887-T1051 VanDerWaalsContact CZ-OG1 3.28Å; R887-T1051 PolarHBondContact NH1-OG1 3.25Å; R887-T1051 PolarHBondContact NH2-OG1 2.77Å; Q1047-T1051 PolarHBondContact O-N 3.32Å; Q1047-T1051 PolarHBondContact O-OG1 2.79Å; V1048-T1051 PolarHBondContact O-N 3.4Å; V1048-T1051 PolarHBondContact O-OG1 2.74Å; R1049-T1051 PolarHBondContact O-N 2.83Å |
| 1052 | M | 40.9 | Very low | 46.9 | Very low | 128 Ų | 128 | 114 Ų | 114 | 63% | 0.631 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -85.2 | -12.9 | 170.1 | -69.2 | -169 | 72.8 | 0 | 0 | 113 | V1048 R1049 Y1054 | V1048-M1052 HydrophobicContact CG1-CG 4.22Å; V1048-M1052 HydrophobicContact CG1-SD 3.87Å; V1048-M1052 WeakPolarHBondContact O-CB 3.37Å; V1048-M1052 WeakPolarHBondContact O-CG 3.23Å; V1048-M1052 PolarHBondContact O-N 2.71Å; R1049-M1052 PolarHBondContact O-N 3.35Å; M1052-Y1054 PolarHBondContact O-N 3.2Å |
| 1053 | S | 39.1 | Very low | 44.1 | Very low | 92 Ų | 92 | 116.8 Ų | 116.8 | 64% | 0.643 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -78.6 | 2 | 175.7 | 56.3 | 0 | 0 | 0 | 0 | 114.7 | R1049 Q1050 | R1049-S1053 WeakPolarHBondContact O-CB 3.46Å; R1049-S1053 PolarHBondContact O-N 3.08Å; R1049-S1053 PolarHBondContact O-OG 2.8Å; Q1050-S1053 PolarHBondContact O-OG 2.92Å |
| 1054 | Y | 29.6 | Very low | 41.5 | Very low | 201 Ų | 201 | 121.9 Ų | 121.9 | 79% | 0.788 | 61% | 0.611 | S | S | * | * | trans | -99.8 | 67.6 | 173.3 | -154.9 | -93.6 | 0 | 0 | 0 | 110.1 | M1052 P1056 | M1052-Y1054 PolarHBondContact O-N 3.2Å; Y1054-P1056 WeakPolarHBondContact O-CD 3.49Å | ||
| 1055 | E | 25 | Very low | 39.2 | Very low | 163 Ų | 163 | 128.4 Ų | 128.4 | 76% | 0.762 | 65% | 0.645 | S | S | * | * | trans | -72.5 | 123.6 | 164.3 | -72.8 | -170 | 148.6 | 0 | 0 | 108.7 | T1057 | E1055-T1057 PolarHBondContact O-N 3.38Š| ||
| 1056 | P | 26.8 | Very low | 37.4 | Very low | 111 Ų | 111 | 133.7 Ų | 133.7 | 72% | 0.721 | 67% | 0.673 | S | S | * | * | trans | -70.8 | 99.9 | 172.1 | -12.1 | 27.6 | 0 | 0 | 0 | 109.2 | Y1054 N1058 | Y1054-P1056 WeakPolarHBondContact O-CD 3.49Å; P1056-N1058 PolarHBondContact O-N 2.7Å | ||
| 1057 | T | 28.3 | Very low | 35.5 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 77% | 0.767 | 69% | 0.685 | S | S | * | * | trans | -71.4 | 77.6 | 169.7 | 53.3 | 0 | 0 | 0 | 0 | 110.2 | E1055 | E1055-T1057 PolarHBondContact O-N 3.38Š| ||
| 1058 | N | 29.4 | Very low | 33.8 | Very low | 156 Ų | 156 | 135.6 Ų | 135.6 | 83% | 0.834 | 69% | 0.692 | S | S | * | * | trans | -161.6 | 128.8 | 152 | -99.6 | -24.6 | 0 | 0 | 0 | 111.5 | P1056 | P1056-N1058 PolarHBondContact O-N 2.7Š| ||
| 1059 | R | 27.9 | Very low | 32.6 | Very low | 215 Ų | 215 | 138.1 Ų | 138.1 | 81% | 0.811 | 71% | 0.714 | S | S | * | * | trans | -79.9 | 147.2 | 159.1 | -72.2 | 175.8 | 169.7 | -177.2 | -3.1 | 107.4 | ||||
| 1060 | E | 28.4 | Very low | 31 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 73% | 0.729 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 75.2 | 81.1 | 168.3 | -61 | 170.2 | -170.3 | 0 | 0 | 116.5 | K1121 | E1060-K1121 IonicContact OE1-NZ 3.77Å; E1060-K1121 PolarHBondContact OE1-NZ 3.48Å |
| 1061 | S | 29.3 | Very low | 30 | Very low | 108 Ų | 108 | 132.9 Ų | 132.9 | 76% | 0.755 | 71% | 0.71 | S | S | * | * | trans | 175.6 | 156.8 | 133.3 | 42 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1062 | V | 27.1 | Very low | 29.2 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 66% | 0.661 | 71% | 0.714 | S | S | * | * | trans | 61 | 108.3 | 169.2 | -163 | 0 | 0 | 0 | 0 | 114.9 | E1064 | V1062-E1064 HydrophobicContact CG1-CB 3.71Å; V1062-E1064 HydrophobicContact CG1-CG 3.86Å; V1062-E1064 VanDerWaalsContact CG1-N 3.27Å | ||
| 1063 | L | 25.1 | Very low | 28.6 | Very low | 170 Ų | 170 | 135.2 Ų | 135.2 | 89% | 0.89 | 72% | 0.717 | S | S | * | * | cis | 55.9 | 45.5 | 14.5 | -91.3 | 178.9 | 0 | 0 | 0 | 115.9 | ||||
| 1064 | E | 28.8 | Very low | 28.1 | Very low | 176 Ų | 176 | 134.8 Ų | 134.8 | 82% | 0.822 | 71% | 0.707 | S | S | * | * | trans | -125 | 139 | 146.8 | -86 | -176.3 | 154.2 | 0 | 0 | 108.8 | V1062 | V1062-E1064 HydrophobicContact CG1-CB 3.71Å; V1062-E1064 HydrophobicContact CG1-CG 3.86Å; V1062-E1064 VanDerWaalsContact CG1-N 3.27Å | ||
| 1065 | I | 25.1 | Very low | 28.3 | Very low | 153 Ų | 153 | 127.2 Ų | 127.2 | 79% | 0.785 | 68% | 0.68 | S | S | * | * | trans | -100.5 | 113.3 | -173.6 | -61.9 | 167.4 | 0 | 0 | 0 | 106.5 | ||||
| 1066 | D | 28.2 | Very low | 28.5 | Very low | 127 Ų | 127 | 126.5 Ų | 126.5 | 68% | 0.679 | 67% | 0.672 | S | S | * | * | trans | -109.6 | 133.1 | 164.6 | -169.7 | 0.5 | 0 | 0 | 0 | 109.2 | S1068 | D1066-S1068 PolarHBondContact O-N 3.27Š| ||
| 1067 | E | 28.1 | Very low | 28.7 | Very low | 167 Ų | 167 | 128.4 Ų | 128.4 | 78% | 0.78 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -74.8 | -3.9 | -155 | -61.9 | -175.7 | 119.5 | 0 | 0 | 114.1 | A1069 A1070 | E1067-A1069 PolarHBondContact O-N 3.01Å; E1067-A1070 PolarHBondContact O-N 2.68Å |
| 1068 | S | 27.9 | Very low | 28.9 | Very low | 89 Ų | 89 | 127.5 Ų | 127.5 | 62% | 0.622 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -63.9 | -20.6 | 177 | 65.7 | 0 | 0 | 0 | 0 | 114.4 | D1066 A1070 Q1071 | D1066-S1068 PolarHBondContact O-N 3.27Å; S1068-A1070 VanDerWaalsContact C-N 3.27Å; S1068-A1070 PolarHBondContact O-N 2.68Å; S1068-Q1071 PolarHBondContact O-N 3.13Å |
| 1069 | A | 30.5 | Very low | 29.3 | Very low | 69 Ų | 69 | 124.3 Ų | 124.3 | 57% | 0.57 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -70.5 | -18.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | E1067 Q1071 Y1072 | E1067-A1069 PolarHBondContact O-N 3.01Å; A1069-Q1071 PolarHBondContact O-N 3.02Å; A1069-Y1072 PolarHBondContact O-N 2.94Å |
| 1070 | A | 27 | Very low | 29.9 | Very low | 72 Ų | 72 | 118.1 Ų | 118.1 | 60% | 0.595 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -65 | -23.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E1067 S1068 Y1072 V1073 | E1067-A1070 PolarHBondContact O-N 2.68Å; S1068-A1070 VanDerWaalsContact C-N 3.27Å; S1068-A1070 PolarHBondContact O-N 2.68Å; A1070-Y1072 PolarHBondContact O-N 2.96Å; A1070-V1073 PolarHBondContact O-N 3.29Å |
| 1071 | Q | 29.2 | Very low | 30.4 | Very low | 129 Ų | 129 | 114 Ų | 114 | 60% | 0.603 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -78.3 | 16.6 | -178.4 | -147.2 | 166 | 43.2 | 0 | 0 | 114.3 | R885 S1068 A1069 | R885-Q1071 PolarHBondContact NH2-O 2.97Å; R885-Q1071 VanDerWaalsContact NH2-O 3.09Å; S1068-Q1071 PolarHBondContact O-N 3.13Å; A1069-Q1071 PolarHBondContact O-N 3.02Å |
| 1072 | Y | 30.4 | Very low | 31.1 | Very low | 137 Ų | 137 | 114 Ų | 114 | 54% | 0.537 | 60% | 0.603 | S | S | . | * | G | 310 helix | trans | -96 | -5.7 | 172.3 | -92.7 | -93.2 | 0 | 0 | 0 | 113.9 | Y910 A1069 A1070 | Y910-Y1072 PolarHBondContact OH-OH 3.3Å; A1069-Y1072 PolarHBondContact O-N 2.94Å; A1070-Y1072 PolarHBondContact O-N 2.96Å |
| 1073 | V | 28.6 | Very low | 31.8 | Very low | 114 Ų | 114 | 109.1 Ų | 109.1 | 69% | 0.691 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -98 | -23 | -179 | -175.3 | 0 | 0 | 0 | 0 | 112.8 | A1070 D1075 | A1070-V1073 PolarHBondContact O-N 3.29Å; V1073-D1075 PolarHBondContact O-N 2.84Å |
| 1074 | D | 29.8 | Very low | 32.8 | Very low | 83 Ų | 83 | 108.8 Ų | 108.8 | 44% | 0.444 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.6 | -7.6 | -175.2 | -71.3 | -36.9 | 0 | 0 | 0 | 115.7 | Y1076 | D1074-Y1076 PolarHBondContact O-N 2.87Š|
| 1075 | D | 34 | Very low | 33.8 | Very low | 42 Ų | 42 | 104.6 Ų | 104.6 | 23% | 0.225 | 56% | 0.561 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -80.2 | 4.4 | -178.2 | -84.7 | -42.1 | 0 | 0 | 0 | 113.9 | K865 R885 V1073 | K865-D1075 IonicContact NZ-OD1 2.97Å; K865-D1075 PolarHBondContact NZ-OD1 3.05Å; R885-D1075 IonicContact CZ-OD2 3.99Å; R885-D1075 IonicContact NE-OD2 3.43Å; R885-D1075 IonicContact NH2-OD2 2.73Å; R885-D1075 PolarHBondContact NH2-OD2 3Å; V1073-D1075 PolarHBondContact O-N 2.84Å |
| 1076 | Y | 29.1 | Very low | 34.9 | Very low | 148 Ų | 148 | 102.9 Ų | 102.9 | 58% | 0.58 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -111.5 | 100.1 | 159.4 | -79.2 | -92 | 0 | 0 | 0 | 109.6 | D1074 I1078 | D1074-Y1076 PolarHBondContact O-N 2.87Å; Y1076-I1078 PolarHBondContact O-N 2.85Å |
| 1077 | F | 30.8 | Very low | 35.3 | Very low | 152 Ų | 152 | 99.8 Ų | 99.8 | 67% | 0.667 | 55% | 0.548 | S | S | * | . | trans | -70.2 | 67.6 | 177 | -71.5 | -81.6 | 0 | 0 | 0 | 113 | D1079 | F1077-D1079 PolarHBondContact O-N 3.3Š| ||
| 1078 | I | 32.6 | Very low | 35.8 | Very low | 105 Ų | 105 | 98.3 Ų | 98.3 | 54% | 0.538 | 54% | 0.542 | S | S | . | . | trans | -62.7 | 116.4 | 130.2 | -63.7 | 175.8 | 0 | 0 | 0 | 104.7 | Y1076 L1080 A1083 | Y1076-I1078 PolarHBondContact O-N 2.85Å; I1078-L1080 VanDerWaalsContact C-N 3.35Å; I1078-L1080 PolarHBondContact O-N 3.28Å; I1078-A1083 HydrophobicContact CG2-CB 3.67Å | ||
| 1079 | D | 37.6 | Very low | 36.1 | Very low | 89 Ų | 89 | 98.5 Ų | 98.5 | 48% | 0.476 | 54% | 0.536 | S | S | . | . | trans | -59.8 | 102 | 167.7 | 172.5 | -9.6 | 0 | 0 | 0 | 107.3 | F1077 A1081 K1082 A1083 | F1077-D1079 PolarHBondContact O-N 3.3Å; D1079-A1081 PolarHBondContact O-N 3.44Å; D1079-A1081 WeakPolarHBondContact OD1-CA 3.31Å; D1079-A1081 WeakPolarHBondContact OD1-CB 3.42Å; D1079-A1081 PolarHBondContact OD1-N 2.96Å; D1079-K1082 HydrophobicContact CB-CB 3.7Å; D1079-K1082 CarbonylContact O-C 3.34Å; D1079-K1082 WeakPolarHBondContact O-CA 3.35Å; D1079-K1082 WeakPolarHBondContact O-CB 3.17Å; D1079-K1082 PolarHBondContact O-N 3.36Å; D1079-K1082 VanDerWaalsContact O-N 3.08Å; D1079-K1082 PolarHBondContact OD1-N 3.01Å; D1079-K1082 WeakPolarHBondContact OD2-CB 3.47Å; D1079-A1083 PolarHBondContact O-N 2.76Å | ||
| 1080 | L | 39.5 | Very low | 36.3 | Very low | 85 Ų | 85 | 102.8 Ų | 102.8 | 45% | 0.445 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.3 | -26.5 | -175.6 | -96.4 | 160.6 | 0 | 0 | 0 | 112.1 | I1078 K1084 L1089 | I1078-L1080 VanDerWaalsContact C-N 3.35Å; I1078-L1080 PolarHBondContact O-N 3.28Å; L1080-K1084 WeakPolarHBondContact O-CB 3.32Å; L1080-K1084 PolarHBondContact O-N 3.26Å; L1080-L1089 HydrophobicContact CD2-CD1 4.04Å |
| 1081 | A | 40.2 | Very low | 36.6 | Very low | 71 Ų | 71 | 105.3 Ų | 105.3 | 59% | 0.587 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -71.1 | -42 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | D1079 K1084 A1085 | D1079-A1081 PolarHBondContact O-N 3.44Å; D1079-A1081 WeakPolarHBondContact OD1-CA 3.31Å; D1079-A1081 WeakPolarHBondContact OD1-CB 3.42Å; D1079-A1081 PolarHBondContact OD1-N 2.96Å; A1081-K1084 PolarHBondContact O-N 2.78Å; A1081-A1085 VanDerWaalsContact O-CB 3.31Å; A1081-A1085 WeakPolarHBondContact O-CB 3.39Å; A1081-A1085 PolarHBondContact O-N 2.85Å |
| 1082 | K | 43 | Very low | 36.9 | Very low | 107 Ų | 107 | 105.3 Ų | 105.3 | 47% | 0.465 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.8 | -41.6 | 172.5 | -175.1 | 174.2 | 179.9 | 178.1 | 0 | 112.8 | D1079 K1084 A1085 E1086 | D1079-K1082 HydrophobicContact CB-CB 3.7Å; D1079-K1082 CarbonylContact O-C 3.34Å; D1079-K1082 WeakPolarHBondContact O-CA 3.35Å; D1079-K1082 WeakPolarHBondContact O-CB 3.17Å; D1079-K1082 PolarHBondContact O-N 3.36Å; D1079-K1082 VanDerWaalsContact O-N 3.08Å; D1079-K1082 PolarHBondContact OD1-N 3.01Å; D1079-K1082 WeakPolarHBondContact OD2-CB 3.47Å; K1082-K1084 VanDerWaalsContact C-N 3.3Å; K1082-K1084 PolarHBondContact O-N 3.3Å; K1082-A1085 CarbonylContact O-C 3.31Å; K1082-A1085 PolarHBondContact O-N 3.12Å; K1082-A1085 VanDerWaalsContact O-N 3.15Å; K1082-E1086 WeakPolarHBondContact CE-OE1 3.48Å; K1082-E1086 WeakPolarHBondContact CE-OE2 3.38Å; K1082-E1086 HydrophobicContact CG-CG 4.1Å; K1082-E1086 IonicContact NZ-OE1 3.83Å; K1082-E1086 VanDerWaalsContact O-CB 3.3Å; K1082-E1086 WeakPolarHBondContact O-CB 2.82Å; K1082-E1086 WeakPolarHBondContact O-CG 3.47Å; K1082-E1086 PolarHBondContact O-N 3.27Å |
| 1083 | A | 43.2 | Very low | 36.9 | Very low | 6 Ų | 6 | 105.1 Ų | 105.1 | 5% | 0.05 | 57% | 0.574 | C | S | . | * | H | α-helix | trans | -66.4 | -30.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I1078 D1079 G1087 M1088 L1089 | I1078-A1083 HydrophobicContact CG2-CB 3.67Å; D1079-A1083 PolarHBondContact O-N 2.76Å; A1083-G1087 PolarHBondContact O-N 3.02Å; A1083-M1088 HydrophobicContact CB-CB 4.45Å; A1083-M1088 PolarHBondContact O-N 3.16Å; A1083-L1089 HydrophobicContact CB-CD1 4.43Å |
| 1084 | K | 44.6 | Very low | 37 | Very low | 164 Ų | 164 | 104.7 Ų | 104.7 | 71% | 0.713 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -69.8 | -46.8 | 166 | -94.5 | -178.5 | 169.5 | 177.1 | 0 | 112.1 | L1080 A1081 K1082 E1086 G1087 | L1080-K1084 WeakPolarHBondContact O-CB 3.32Å; L1080-K1084 PolarHBondContact O-N 3.26Å; A1081-K1084 PolarHBondContact O-N 2.78Å; K1082-K1084 VanDerWaalsContact C-N 3.3Å; K1082-K1084 PolarHBondContact O-N 3.3Å; K1084-E1086 VanDerWaalsContact C-N 3.32Å; K1084-E1086 PolarHBondContact O-N 3.31Å; K1084-G1087 PolarHBondContact O-N 3.14Å; K1084-G1087 VanDerWaalsContact O-N 3.13Å |
| 1085 | A | 49.9 | Very low | 37 | Very low | 88 Ų | 88 | 110 Ų | 110 | 73% | 0.727 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.5 | -30.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A1081 K1082 G1087 | A1081-A1085 VanDerWaalsContact O-CB 3.31Å; A1081-A1085 WeakPolarHBondContact O-CB 3.39Å; A1081-A1085 PolarHBondContact O-N 2.85Å; K1082-A1085 CarbonylContact O-C 3.31Å; K1082-A1085 PolarHBondContact O-N 3.12Å; K1082-A1085 VanDerWaalsContact O-N 3.15Å; A1085-G1087 VanDerWaalsContact C-N 3.32Å |
| 1086 | E | 48.2 | Very low | 36.7 | Very low | 116 Ų | 116 | 112.5 Ų | 112.5 | 54% | 0.542 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.4 | 7.1 | 175.4 | -65.5 | -179.8 | 161.8 | 0 | 0 | 112.4 | K1082 K1084 M1088 | K1082-E1086 WeakPolarHBondContact CE-OE1 3.48Å; K1082-E1086 WeakPolarHBondContact CE-OE2 3.38Å; K1082-E1086 HydrophobicContact CG-CG 4.1Å; K1082-E1086 IonicContact NZ-OE1 3.83Å; K1082-E1086 VanDerWaalsContact O-CB 3.3Å; K1082-E1086 WeakPolarHBondContact O-CB 2.82Å; K1082-E1086 WeakPolarHBondContact O-CG 3.47Å; K1082-E1086 PolarHBondContact O-N 3.27Å; K1084-E1086 VanDerWaalsContact C-N 3.32Å; K1084-E1086 PolarHBondContact O-N 3.31Å; E1086-M1088 VanDerWaalsContact C-N 3.3Å; E1086-M1088 HydrophobicContact CB-CG 3.93Å; E1086-M1088 HydrophobicContact CB-SD 4.25Å; E1086-M1088 PolarHBondContact O-N 3.28Å |
| 1087 | G | 37.4 | Very low | 36.7 | Very low | 63 Ų | 63 | 110.5 Ų | 110.5 | 65% | 0.649 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.8 | 20.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | A1083 K1084 A1085 | A1083-G1087 PolarHBondContact O-N 3.02Å; K1084-G1087 PolarHBondContact O-N 3.14Å; K1084-G1087 VanDerWaalsContact O-N 3.13Å; A1085-G1087 VanDerWaalsContact C-N 3.32Å |
| 1088 | M | 37.7 | Very low | 36.6 | Very low | 135 Ų | 135 | 110.4 Ų | 110.4 | 67% | 0.665 | 63% | 0.631 | S | S | * | * | trans | -86.9 | -13.1 | -169.8 | -52 | -169.7 | 88.1 | 0 | 0 | 114.4 | A1083 E1086 | A1083-M1088 HydrophobicContact CB-CB 4.45Å; A1083-M1088 PolarHBondContact O-N 3.16Å; E1086-M1088 VanDerWaalsContact C-N 3.3Å; E1086-M1088 HydrophobicContact CB-CG 3.93Å; E1086-M1088 HydrophobicContact CB-SD 4.25Å; E1086-M1088 PolarHBondContact O-N 3.28Å | ||
| 1089 | L | 35.6 | Very low | 36.5 | Very low | 94 Ų | 94 | 111.3 Ų | 111.3 | 49% | 0.492 | 64% | 0.636 | S | S | . | * | trans | -139.3 | 127.1 | -179.5 | -88 | 165.5 | 0 | 0 | 0 | 111.7 | L1080 A1083 | L1080-L1089 HydrophobicContact CD2-CD1 4.04Å; A1083-L1089 HydrophobicContact CB-CD1 4.43Å | ||
| 1090 | N | 33.7 | Very low | 36.2 | Very low | 159 Ų | 159 | 110.1 Ų | 110.1 | 85% | 0.85 | 63% | 0.631 | S | S | * | * | trans | -148 | 77.8 | -175.8 | -163.2 | 29.4 | 0 | 0 | 0 | 110.5 | ||||
| 1091 | I | 33.7 | Very low | 35.9 | Very low | 124 Ų | 124 | 109.3 Ų | 109.3 | 64% | 0.636 | 64% | 0.637 | S | S | * | * | trans | -134.8 | 126.4 | 177.5 | -60.6 | -177.6 | 0 | 0 | 0 | 110 | ||||
| 1092 | T | 35.2 | Very low | 36 | Very low | 129 Ų | 129 | 112.1 Ų | 112.1 | 79% | 0.791 | 64% | 0.642 | S | S | * | * | trans | -83.9 | 172.4 | 176.4 | 35.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1093 | T | 31.1 | Very low | 35.9 | Very low | 134 Ų | 134 | 115.5 Ų | 115.5 | 82% | 0.822 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -59.5 | 140.8 | -171.6 | 39.1 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1094 | S | 29.4 | Very low | 35.5 | Very low | 105 Ų | 105 | 119.6 Ų | 119.6 | 73% | 0.734 | 68% | 0.678 | S | S | * | * | S | Bend | trans | 71.7 | 139.5 | 171.2 | 80.9 | 0 | 0 | 0 | 0 | 117.6 | ||
| 1095 | K | 30 | Very low | 35 | Very low | 195 Ų | 195 | 114.1 Ų | 114.1 | 85% | 0.848 | 66% | 0.659 | S | S | * | * | S | Bend | trans | 79.8 | 120.9 | 177.4 | -55.1 | 179.5 | -179.2 | 176.5 | 0 | 117.2 | ||
| 1096 | A | 27.7 | Very low | 34.4 | Very low | 93 Ų | 93 | 119.1 Ų | 119.1 | 77% | 0.769 | 66% | 0.664 | S | S | * | * | trans | 28.3 | 101.9 | 153.9 | 0 | 0 | 0 | 0 | 0 | 119 | N1098 | A1096-N1098 PolarHBondContact O-N 2.69Š| ||
| 1097 | V | 29.7 | Very low | 33.7 | Very low | 106 Ų | 106 | 116.3 Ų | 116.3 | 64% | 0.642 | 65% | 0.653 | S | S | * | * | trans | -77.2 | 102.7 | 163 | 179.3 | 0 | 0 | 0 | 0 | 109.4 | I1099 | V1097-I1099 HydrophobicContact CG1-CG1 4.04Å; V1097-I1099 PolarHBondContact O-N 3.17Å; V1097-I1099 VanDerWaalsContact O-N 3.16Å | ||
| 1098 | N | 29.4 | Very low | 33.4 | Very low | 151 Ų | 151 | 116.9 Ų | 116.9 | 81% | 0.807 | 64% | 0.644 | S | S | * | * | trans | -68.6 | 104 | 166.9 | -93.4 | -21.2 | 0 | 0 | 0 | 109.9 | A1096 T1100 | A1096-N1098 PolarHBondContact O-N 2.69Å; N1098-T1100 PolarHBondContact O-N 3.33Å | ||
| 1099 | I | 29.8 | Very low | 33.1 | Very low | 124 Ų | 124 | 113.7 Ų | 113.7 | 64% | 0.636 | 64% | 0.639 | S | S | * | * | trans | -87.1 | 105 | 168.2 | -56.6 | 178.8 | 0 | 0 | 0 | 108 | V1097 A1101 L1104 | V1097-I1099 HydrophobicContact CG1-CG1 4.04Å; V1097-I1099 PolarHBondContact O-N 3.17Å; V1097-I1099 VanDerWaalsContact O-N 3.16Å; I1099-A1101 PolarHBondContact O-N 2.79Å; I1099-L1104 HydrophobicContact CG2-CD1 4.32Å; I1099-L1104 HydrophobicContact CG2-CG 4.26Å | ||
| 1100 | T | 30.8 | Very low | 32.7 | Very low | 63 Ų | 63 | 115.7 Ų | 115.7 | 39% | 0.387 | 64% | 0.644 | S | S | . | * | trans | -71.5 | 120.4 | 173.3 | 67.7 | 0 | 0 | 0 | 0 | 109.1 | N1098 D1102 K1103 | N1098-T1100 PolarHBondContact O-N 3.33Å; T1100-D1102 VanDerWaalsContact CB-OD1 3.23Å; T1100-D1102 WeakPolarHBondContact CB-OD1 3.44Å; T1100-D1102 WeakPolarHBondContact CB-OD2 2.94Å; T1100-D1102 PolarHBondContact O-N 3.45Å; T1100-D1102 VanDerWaalsContact O-N 3.08Å; T1100-D1102 PolarHBondContact OG1-OD2 2.69Å; T1100-K1103 PolarHBondContact O-N 3.29Å | ||
| 1101 | A | 33.8 | Very low | 32.5 | Very low | 69 Ų | 69 | 112.7 Ų | 112.7 | 57% | 0.57 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -64.2 | -18.3 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | I1099 K1103 L1104 | I1099-A1101 PolarHBondContact O-N 2.79Å; A1101-K1103 VanDerWaalsContact C-N 3.28Å; A1101-K1103 PolarHBondContact O-N 3.12Å; A1101-L1104 PolarHBondContact O-N 3.18Å |
| 1102 | D | 41.6 | Very low | 32.4 | Very low | 130 Ų | 130 | 117.2 Ų | 117.2 | 70% | 0.695 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -63.8 | -17.7 | 169.9 | 39 | -77.4 | 0 | 0 | 0 | 115 | T1100 | T1100-D1102 VanDerWaalsContact CB-OD1 3.23Å; T1100-D1102 WeakPolarHBondContact CB-OD1 3.44Å; T1100-D1102 WeakPolarHBondContact CB-OD2 2.94Å; T1100-D1102 PolarHBondContact O-N 3.45Å; T1100-D1102 VanDerWaalsContact O-N 3.08Å; T1100-D1102 PolarHBondContact OG1-OD2 2.69Å |
| 1103 | K | 41.4 | Very low | 32.2 | Very low | 177 Ų | 177 | 116.4 Ų | 116.4 | 77% | 0.77 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -100.9 | -1.7 | 175.7 | -67.5 | -173.7 | -179.9 | 179.1 | 0 | 114.8 | T1100 A1101 | T1100-K1103 PolarHBondContact O-N 3.29Å; A1101-K1103 VanDerWaalsContact C-N 3.28Å; A1101-K1103 PolarHBondContact O-N 3.12Å |
| 1104 | L | 35.8 | Very low | 32.2 | Very low | 92 Ų | 92 | 118.9 Ų | 118.9 | 48% | 0.482 | 63% | 0.626 | S | S | . | * | S | Bend | trans | -79.6 | 138.6 | 176.6 | -77.1 | 167.5 | 0 | 0 | 0 | 111.7 | I1099 A1101 K1106 | I1099-L1104 HydrophobicContact CG2-CD1 4.32Å; I1099-L1104 HydrophobicContact CG2-CG 4.26Å; A1101-L1104 PolarHBondContact O-N 3.18Å; L1104-K1106 PolarHBondContact O-N 2.67Å |
| 1105 | P | 32.3 | Very low | 32.3 | Very low | 50 Ų | 50 | 118.8 Ų | 118.8 | 33% | 0.325 | 62% | 0.617 | S | S | . | * | trans | -56.9 | 124.1 | 171.7 | -24.5 | 34.4 | 0 | 0 | 0 | 111.1 | Y877 N1107 T1108 | Y877-P1105 HydrophobicContact CD1-CB 4.35Å; Y877-P1105 HydrophobicContact CD1-CG 4.44Å; Y877-P1105 HydrophobicContact CE1-CB 4.15Å; Y877-P1105 HydrophobicContact CE1-CG 3.75Å; Y877-P1105 HydrophobicContact CE2-CG 4.41Å; P1105-N1107 PolarHBondContact O-N 3.15Å; P1105-T1108 PolarHBondContact O-N 2.9Å; P1105-T1108 PolarHBondContact O-OG1 3.49Å | ||
| 1106 | K | 37.9 | Very low | 32.2 | Very low | 192 Ų | 192 | 115.4 Ų | 115.4 | 84% | 0.835 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -9.7 | -175.4 | -71.6 | -175.8 | 177.2 | 178.8 | 0 | 115 | L1104 | L1104-K1106 PolarHBondContact O-N 2.67Š|
| 1107 | N | 33.2 | Very low | 32.3 | Very low | 58 Ų | 58 | 115.3 Ų | 115.3 | 31% | 0.31 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104 | 13.8 | -172.6 | -61.4 | 14.4 | 0 | 0 | 0 | 113.2 | Y586 P1105 A1109 | Y586-N1107 PolarHBondContact OH-ND2 3.29Å; Y586-N1107 VanDerWaalsContact OH-ND2 3.17Å; P1105-N1107 PolarHBondContact O-N 3.15Å; N1107-A1109 PolarHBondContact O-N 3.41Å |
| 1108 | T | 32.7 | Very low | 32.2 | Very low | 74 Ų | 74 | 116.8 Ų | 116.8 | 45% | 0.454 | 61% | 0.608 | S | S | . | * | trans | -69.2 | 93 | 168.2 | 32.8 | 0 | 0 | 0 | 0 | 109.8 | P1105 F1110 | P1105-T1108 PolarHBondContact O-N 2.9Å; P1105-T1108 PolarHBondContact O-OG1 3.49Å; T1108-F1110 PolarHBondContact O-N 2.74Å | ||
| 1109 | A | 31.4 | Very low | 32.3 | Very low | 68 Ų | 68 | 117.6 Ų | 117.6 | 56% | 0.562 | 61% | 0.605 | S | S | * | * | trans | -72.7 | 40.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I879 N1107 N1111 | I879-A1109 HydrophobicContact CB-CB 4.42Å; I879-A1109 HydrophobicContact CD1-CB 4Å; I879-A1109 HydrophobicContact CG1-CB 3.75Å; I879-A1109 HydrophobicContact CG2-CB 3.92Å; N1107-A1109 PolarHBondContact O-N 3.41Å; A1109-N1111 PolarHBondContact O-N 3.35Å | ||
| 1110 | F | 26.7 | Very low | 32.3 | Very low | 137 Ų | 137 | 119.9 Ų | 119.9 | 60% | 0.601 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -75.6 | 116.2 | 150.1 | -125.9 | -85.9 | 0 | 0 | 0 | 106.4 | T1108 R1112 L1115 | T1108-F1110 PolarHBondContact O-N 2.74Å; F1110-R1112 PolarHBondContact O-N 2.89Å; F1110-L1115 HydrophobicContact CB-CD1 3.88Å; F1110-L1115 HydrophobicContact CD1-CD1 3.64Å; F1110-L1115 HydrophobicContact CD1-CD2 4.32Å; F1110-L1115 HydrophobicContact CD1-CG 3.63Å; F1110-L1115 HydrophobicContact CE1-CD1 4.39Å; F1110-L1115 HydrophobicContact CE1-CD2 4.29Å; F1110-L1115 HydrophobicContact CE1-CG 4.03Å; F1110-L1115 HydrophobicContact CG-CD1 3.86Å; F1110-L1115 HydrophobicContact CG-CG 4.36Å |
| 1111 | N | 29.6 | Very low | 32.3 | Very low | 96 Ų | 96 | 124.1 Ų | 124.1 | 51% | 0.513 | 63% | 0.63 | S | S | . | * | trans | -49.3 | 114.9 | -179.8 | -174.1 | -20.7 | 0 | 0 | 0 | 109.1 | A1109 T1113 R1114 | A1109-N1111 PolarHBondContact O-N 3.35Å; N1111-T1113 PolarHBondContact O-N 2.81Å; N1111-T1113 WeakPolarHBondContact OD1-CB 3.29Å; N1111-T1113 PolarHBondContact OD1-N 3.13Å; N1111-T1113 PolarHBondContact OD1-OG1 2.85Å; N1111-R1114 PolarHBondContact O-N 2.79Å | ||
| 1112 | R | 30.6 | Very low | 32.1 | Very low | 218 Ų | 218 | 129.8 Ų | 129.8 | 82% | 0.823 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -4.7 | -174.7 | -92.8 | -176.1 | 171.7 | -168.9 | -5.3 | 113.9 | F1110 | F1110-R1112 PolarHBondContact O-N 2.89Š|
| 1113 | T | 30.7 | Very low | 31.7 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 69% | 0.687 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | -8 | 176.2 | -24.9 | 0 | 0 | 0 | 0 | 114 | N1111 | N1111-T1113 PolarHBondContact O-N 2.81Å; N1111-T1113 WeakPolarHBondContact OD1-CB 3.29Å; N1111-T1113 PolarHBondContact OD1-N 3.13Å; N1111-T1113 PolarHBondContact OD1-OG1 2.85Å |
| 1114 | R | 32.7 | Very low | 31.3 | Very low | 186 Ų | 186 | 126.5 Ų | 126.5 | 70% | 0.702 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | -20.9 | -174.7 | -107.9 | -176.1 | 178.1 | 178 | 0.5 | 116.3 | N1111 S1117 | N1111-R1114 PolarHBondContact O-N 2.79Å; R1114-S1117 PolarHBondContact O-OG 2.84Å |
| 1115 | L | 31 | Very low | 31.1 | Very low | 104 Ų | 104 | 132.5 Ų | 132.5 | 55% | 0.545 | 67% | 0.673 | S | S | . | * | G | 310 helix | trans | -77.7 | -19.7 | 176.2 | -85.7 | 163.1 | 0 | 0 | 0 | 113.9 | F1110 S1117 | F1110-L1115 HydrophobicContact CB-CD1 3.88Å; F1110-L1115 HydrophobicContact CD1-CD1 3.64Å; F1110-L1115 HydrophobicContact CD1-CD2 4.32Å; F1110-L1115 HydrophobicContact CD1-CG 3.63Å; F1110-L1115 HydrophobicContact CE1-CD1 4.39Å; F1110-L1115 HydrophobicContact CE1-CD2 4.29Å; F1110-L1115 HydrophobicContact CE1-CG 4.03Å; F1110-L1115 HydrophobicContact CG-CD1 3.86Å; F1110-L1115 HydrophobicContact CG-CG 4.36Å; L1115-S1117 PolarHBondContact O-N 2.78Å |
| 1116 | T | 28.5 | Very low | 30.9 | Very low | 123 Ų | 123 | 136.5 Ų | 136.5 | 76% | 0.755 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -79.7 | 6.5 | 177.9 | -8.4 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1117 | S | 28.3 | Very low | 30.6 | Very low | 91 Ų | 91 | 132.9 Ų | 132.9 | 64% | 0.636 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -119.4 | 3 | -172.9 | 67.7 | 0 | 0 | 0 | 0 | 115.4 | R1114 L1115 | R1114-S1117 PolarHBondContact O-OG 2.84Å; L1115-S1117 PolarHBondContact O-N 2.78Å |
| 1118 | M | 29.3 | Very low | 30.5 | Very low | 138 Ų | 138 | 139 Ų | 139 | 68% | 0.68 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -108.9 | -14.6 | 178.2 | -76.7 | -177.4 | 64.5 | 0 | 0 | 114.6 | ||
| 1119 | F | 29.9 | Very low | 30.5 | Very low | 168 Ų | 168 | 141.8 Ų | 141.8 | 74% | 0.737 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -142.5 | 86.3 | -178.5 | -59.2 | -78 | 0 | 0 | 0 | 111.4 | ||
| 1120 | I | 30.7 | Very low | 30.5 | Very low | 171 Ų | 171 | 144.2 Ų | 144.2 | 88% | 0.877 | 74% | 0.736 | S | S | * | * | trans | -178.5 | 119.5 | 144.9 | -91.4 | 148.6 | 0 | 0 | 0 | 105.9 | ||||
| 1121 | K | 30.8 | Very low | 30.8 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 67% | 0.665 | 75% | 0.746 | S | S | * | * | trans | -72.3 | 152.2 | 169.7 | -101.8 | -176.8 | 171.1 | -173 | 0 | 109.2 | E1060 | E1060-K1121 IonicContact OE1-NZ 3.77Å; E1060-K1121 PolarHBondContact OE1-NZ 3.48Å | ||
| 1122 | E | 29.2 | Very low | 30.6 | Very low | 187 Ų | 187 | 148.7 Ų | 148.7 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | trans | -66.7 | 134.1 | 174.2 | -62.9 | 171.1 | 116.1 | 0 | 0 | 112 | ||||
| 1123 | D | 33.8 | Very low | 30.6 | Very low | 174 Ų | 174 | 144.4 Ų | 144.4 | 93% | 0.93 | 76% | 0.762 | S | S | * | * | trans | -172.3 | 133.9 | 143.2 | -91.2 | -33.9 | 0 | 0 | 0 | 105.7 | ||||
| 1124 | G | 31.6 | Very low | 30.4 | Very low | 65 Ų | 65 | 145.1 Ų | 145.1 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | cis | 172.8 | 141.3 | -7.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1125 | K | 33.1 | Very low | 30.2 | Very low | 218 Ų | 218 | 144.1 Ų | 144.1 | 95% | 0.948 | 77% | 0.774 | S | S | * | * | trans | 77.6 | 124.9 | 170.6 | -54.9 | 173.3 | -177.6 | 173.1 | 0 | 118.4 | ||||
| 1126 | V | 27.1 | Very low | 29.9 | Very low | 133 Ų | 133 | 143.2 Ų | 143.2 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | trans | -120.7 | 139.4 | 173.6 | 165.6 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 1127 | P | 33 | Very low | 29.8 | Very low | 116 Ų | 116 | 144.4 Ų | 144.4 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | -157.5 | 147.7 | 89.8 | 39 | -17.1 | 0 | 0 | 0 | 120.4 | |||||
| 1128 | R | 29.2 | Very low | 29.6 | Very low | 187 Ų | 187 | 148.7 Ų | 148.7 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | 20.7 | 129.8 | 135.1 | -63.6 | 170 | 158.1 | 179.2 | -10.7 | 119.6 | ||||
| 1129 | T | 34.3 | Very low | 29.6 | Very low | 132 Ų | 132 | 147.6 Ų | 147.6 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | -165.4 | 150.7 | 109.6 | 21.5 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1130 | T | 30.8 | Very low | 29.5 | Very low | 119 Ų | 119 | 145.7 Ų | 145.7 | 73% | 0.73 | 79% | 0.789 | S | S | * | * | trans | 4.3 | 146.1 | 152.3 | 55.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1131 | T | 33.8 | Very low | 29.2 | Very low | 135 Ų | 135 | 144.6 Ų | 144.6 | 83% | 0.828 | 79% | 0.785 | S | S | * | * | cis | -167.2 | 164.7 | 37 | -19.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1132 | K | 25.4 | Very low | 29 | Very low | 192 Ų | 192 | 144 Ų | 144 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -69.3 | 159.8 | 173 | -63.9 | 179.7 | 173.3 | 179.5 | 0 | 112.1 | ||||
| 1133 | P | 29.4 | Very low | 29.1 | Very low | 129 Ų | 129 | 143.8 Ų | 143.8 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | -145.9 | 174.6 | 95.4 | 39 | -22.7 | 0 | 0 | 0 | 117 | |||||
| 1134 | T | 26.7 | Very low | 28.7 | Very low | 127 Ų | 127 | 138.7 Ų | 138.7 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | trans | -81.1 | 134.5 | -171.3 | -45.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1135 | I | 28.1 | Very low | 28.6 | Very low | 165 Ų | 165 | 145.9 Ų | 145.9 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | -149.6 | 124.9 | 153.9 | -57.4 | -176.5 | 0 | 0 | 0 | 105.4 | ||||
| 1136 | S | 24.9 | Very low | 28.3 | Very low | 85 Ų | 85 | 140.7 Ų | 140.7 | 59% | 0.594 | 77% | 0.771 | S | S | * | * | cis | 97.2 | 115.4 | 29.2 | -178 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1137 | L | 26.3 | Very low | 28.1 | Very low | 147 Ų | 147 | 144.3 Ų | 144.3 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | 68.4 | 157.4 | 171.4 | -51.3 | 157.5 | 0 | 0 | 0 | 114.9 | ||||
| 1138 | K | 24.9 | Very low | 27.8 | Very low | 181 Ų | 181 | 149.3 Ų | 149.3 | 79% | 0.787 | 78% | 0.777 | S | S | * | * | cis | -159.9 | 166.5 | -25.1 | -116.1 | -176.8 | 178.1 | 177.7 | 0 | 107 | ||||
| 1139 | P | 28.8 | Very low | 27.5 | Very low | 116 Ų | 116 | 149.7 Ų | 149.7 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | -94.2 | 139.5 | -176.7 | 35.9 | -32 | 0 | 0 | 0 | 114 | ||||
| 1140 | T | 27.4 | Very low | 27.2 | Very low | 127 Ų | 127 | 149.3 Ų | 149.3 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | -169.6 | 119.4 | 156.3 | 28.1 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 1141 | L | 26.1 | Very low | 27.1 | Very low | 149 Ų | 149 | 152.9 Ų | 152.9 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | 74.8 | 138.9 | 83.7 | -93.4 | 165.4 | 0 | 0 | 0 | 114.1 | |||||
| 1142 | D | 26.4 | Very low | 26.9 | Very low | 141 Ų | 141 | 156.1 Ų | 156.1 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | 83 | 152.1 | 166.6 | -54.8 | -38.1 | 0 | 0 | 0 | 121.1 | ||||
| 1143 | E | 30.1 | Very low | 27.1 | Very low | 182 Ų | 182 | 155.6 Ų | 155.6 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | 79.7 | 95.7 | 164.8 | -48 | -157.1 | 158.9 | 0 | 0 | 121.1 | ||||
| 1144 | G | 26.5 | Very low | 27.2 | Very low | 67 Ų | 67 | 154.5 Ų | 154.5 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | trans | 87.8 | 148.9 | 137.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1145 | Y | 27.7 | Very low | 27.3 | Very low | 215 Ų | 215 | 155.7 Ų | 155.7 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | cis | -148.3 | 137.1 | 14.7 | -81.9 | -96.8 | 0 | 0 | 0 | 113 | ||||
| 1146 | V | 27.2 | Very low | 27.4 | Very low | 110 Ų | 110 | 152.7 Ų | 152.7 | 67% | 0.667 | 77% | 0.773 | S | S | * | * | trans | 50.6 | 107.3 | 136.6 | -172.9 | 0 | 0 | 0 | 0 | 119.7 | Y1148 | V1146-Y1148 HydrophobicContact CG1-CD2 4.19Å; V1146-Y1148 HydrophobicContact CG1-CE2 4.31Å | ||
| 1147 | Y | 23.3 | Very low | 27.5 | Very low | 208 Ų | 208 | 154.3 Ų | 154.3 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | trans | -59.6 | 135.8 | 153.6 | -82.4 | -105.7 | 0 | 0 | 0 | 112.4 | ||||
| 1148 | Y | 25.9 | Very low | 27.6 | Very low | 221 Ų | 221 | 158.4 Ų | 158.4 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -104.6 | 88.1 | 148.9 | -101.2 | -94.8 | 0 | 0 | 0 | 110.4 | V1146 | V1146-Y1148 HydrophobicContact CG1-CD2 4.19Å; V1146-Y1148 HydrophobicContact CG1-CE2 4.31Å | ||
| 1149 | R | 24.8 | Very low | 27.8 | Very low | 195 Ų | 195 | 154.6 Ų | 154.6 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | trans | -65.5 | 139.4 | 153.8 | -77.5 | -177.4 | 177.1 | 173 | -0.1 | 107.7 | K1151 | R1149-K1151 PolarHBondContact O-N 3Š| ||
| 1150 | P | 28 | Very low | 27.8 | Very low | 125 Ų | 125 | 160.8 Ų | 160.8 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | -56.3 | 116.4 | 152.2 | -16 | 29.7 | 0 | 0 | 0 | 106.9 | K1152 | P1150-K1152 PolarHBondContact O-N 3.44Š| ||
| 1151 | K | 28.6 | Very low | 28.1 | Very low | 194 Ų | 194 | 160.4 Ų | 160.4 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -60.1 | 109.1 | 176.7 | -78.6 | -178.6 | 176.3 | 177.2 | 0 | 108 | R1149 Q1153 | R1149-K1151 PolarHBondContact O-N 3Å; K1151-Q1153 VanDerWaalsContact C-N 3.32Å; K1151-Q1153 PolarHBondContact O-N 3.31Å | ||
| 1152 | K | 29.7 | Very low | 28.2 | Very low | 202 Ų | 202 | 155.8 Ų | 155.8 | 88% | 0.878 | 78% | 0.777 | S | S | * | * | trans | -55.1 | 106.8 | 144.8 | -81.8 | -175.2 | 173.9 | -179 | 0 | 105.5 | P1150 P1154 | P1150-K1152 PolarHBondContact O-N 3.44Å; K1152-P1154 VanDerWaalsContact O-CD 3.29Å; K1152-P1154 WeakPolarHBondContact O-CD 3.45Å | ||
| 1153 | Q | 29.5 | Very low | 28.3 | Very low | 182 Ų | 182 | 158.6 Ų | 158.6 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | trans | -62.7 | 123 | 160.8 | -79.2 | -179.4 | -30.4 | 0 | 0 | 107 | K1151 | K1151-Q1153 VanDerWaalsContact C-N 3.32Å; K1151-Q1153 PolarHBondContact O-N 3.31Å | ||
| 1154 | P | 29.6 | Very low | 28.5 | Very low | 105 Ų | 105 | 157.7 Ų | 157.7 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | trans | -85.6 | 166.3 | 164.3 | 36.2 | -31 | 0 | 0 | 0 | 109.9 | K1152 | K1152-P1154 VanDerWaalsContact O-CD 3.29Å; K1152-P1154 WeakPolarHBondContact O-CD 3.45Å | ||
| 1155 | N | 29 | Very low | 28.5 | Very low | 152 Ų | 152 | 165 Ų | 165 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | trans | 72.4 | 152.1 | 172.3 | -70.4 | -8.6 | 0 | 0 | 0 | 117.9 | ||||
| 1156 | P | 31.7 | Very low | 28.6 | Very low | 102 Ų | 102 | 163 Ų | 163 | 66% | 0.662 | 79% | 0.79 | S | S | * | * | cis | -131.1 | 170 | -23.7 | 33.4 | -15.1 | 0 | 0 | 0 | 113.8 | ||||
| 1157 | T | 26.6 | Very low | 28.7 | Very low | 119 Ų | 119 | 169.5 Ų | 169.5 | 73% | 0.73 | 80% | 0.802 | S | S | * | * | trans | 40.1 | 105.8 | 148.4 | 53.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1158 | Y | 27.4 | Very low | 28.9 | Very low | 233 Ų | 233 | 168.6 Ų | 168.6 | 91% | 0.914 | 80% | 0.803 | S | S | * | * | trans | -134.7 | 131.2 | 134.8 | -108.5 | -86.9 | 0 | 0 | 0 | 109.9 | ||||
| 1159 | P | 30.7 | Very low | 29.2 | Very low | 102 Ų | 102 | 166.4 Ų | 166.4 | 66% | 0.662 | 80% | 0.798 | S | S | * | * | trans | -89.7 | 168.5 | -170.6 | 36.5 | -36.6 | 0 | 0 | 0 | 112.8 | ||||
| 1160 | W | 27.7 | Very low | 29.6 | Very low | 246 Ų | 246 | 167 Ų | 167 | 93% | 0.932 | 81% | 0.806 | S | S | * | * | trans | -55.8 | 132.8 | 156.8 | -78.6 | 79.4 | 0 | 0 | 0 | 109.6 | ||||
| 1161 | P | 34.6 | Very low | 29.9 | Very low | 119 Ų | 119 | 165.5 Ų | 165.5 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | -130 | 158.6 | 98.8 | 36.3 | -27.6 | 0 | 0 | 0 | 110.7 | |||||
| 1162 | G | 27.9 | Very low | 30.2 | Very low | 52 Ų | 52 | 164.2 Ų | 164.2 | 54% | 0.536 | 81% | 0.806 | S | S | . | * | cis | 122.7 | 120.6 | 20.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1163 | K | 28.8 | Very low | 30.7 | Very low | 200 Ų | 200 | 159.6 Ų | 159.6 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | trans | 65.8 | 113.9 | 170.7 | -54.4 | -176.1 | 179.9 | -177.6 | 0 | 118 | ||||
| 1164 | N | 32.5 | Very low | 31.1 | Very low | 163 Ų | 163 | 157 Ų | 157 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | -161 | 76.7 | 115.2 | -92.5 | -18.7 | 0 | 0 | 0 | 111 | |||||
| 1165 | Y | 28.2 | Very low | 31.3 | Very low | 221 Ų | 221 | 162.9 Ų | 162.9 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | -66.4 | 147 | 128 | -79.6 | -108.8 | 0 | 0 | 0 | 105.4 | |||||
| 1166 | E | 28.3 | Very low | 32 | Very low | 172 Ų | 172 | 165 Ų | 165 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | cis | -151.7 | 164.8 | 34.8 | -60.6 | 168 | 148.7 | 0 | 0 | 110.7 | ||||
| 1167 | R | 30 | Very low | 32 | Very low | 246 Ų | 246 | 168.1 Ų | 168.1 | 93% | 0.928 | 83% | 0.832 | S | S | * | * | -170.2 | 103.4 | 124.9 | -106.3 | 170.2 | -174 | -161.5 | 0.4 | 112.2 | |||||
| 1168 | F | 27.7 | Very low | 32.3 | Very low | 189 Ų | 189 | 170.7 Ų | 170.7 | 83% | 0.829 | 84% | 0.837 | S | S | * | * | trans | -138.4 | 109.5 | 157.9 | -126.9 | -111.2 | 0 | 0 | 0 | 107.3 | ||||
| 1169 | F | 31.2 | Very low | 32.5 | Very low | 175 Ų | 175 | 167.2 Ų | 167.2 | 77% | 0.768 | 83% | 0.833 | S | S | * | * | trans | 54 | 112.8 | 165.7 | -65.5 | -94.7 | 0 | 0 | 0 | 121.6 | ||||
| 1170 | K | 34 | Very low | 32.7 | Very low | 207 Ų | 207 | 171.1 Ų | 171.1 | 90% | 0.9 | 84% | 0.843 | S | S | * | * | -172.5 | 151.6 | 102.1 | -104.1 | -179.5 | 178.6 | -179.1 | 0 | 114.1 | |||||
| 1171 | A | 35.1 | Very low | 33 | Very low | 94 Ų | 94 | 166.4 Ų | 166.4 | 78% | 0.777 | 84% | 0.837 | S | S | * | * | trans | 69.7 | 98.4 | 159.6 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1172 | L | 33.8 | Very low | 32.8 | Very low | 168 Ų | 168 | 169.5 Ų | 169.5 | 88% | 0.88 | 84% | 0.841 | S | S | * | * | 3.6 | 162.6 | 129.4 | -67.8 | 170.4 | 0 | 0 | 0 | 121.3 | |||||
| 1173 | P | 40.1 | Very low | 33.2 | Very low | 105 Ų | 105 | 177.9 Ų | 177.9 | 68% | 0.682 | 86% | 0.863 | S | S | * | * | cis | -133.9 | -175.4 | -2 | 30.9 | -8.1 | 0 | 0 | 0 | 116.7 | ||||
| 1174 | D | 38.9 | Very low | 33.5 | Very low | 128 Ų | 128 | 176.2 Ų | 176.2 | 68% | 0.684 | 86% | 0.863 | S | S | * | * | trans | 84.4 | 107.1 | 156.1 | -84.8 | -33.1 | 0 | 0 | 0 | 123.2 | ||||
| 1175 | R | 33.7 | Very low | 33.6 | Very low | 227 Ų | 227 | 177.3 Ų | 177.3 | 86% | 0.857 | 86% | 0.862 | S | S | * | * | 46.5 | 101.9 | 124.1 | -64.4 | 174.5 | -168.6 | -140.5 | -2.1 | 120.2 | |||||
| 1176 | S | 42.5 | Very low | 34.1 | Very low | 196 Ų | 196 | 173.4 Ų | 173.4 | 100% | 1.371 | 86% | 0.862 | S | S | * | * | -160.1 | 0 | 113.1 | 64.3 | 0 | 0 | 0 | 0 | 110 |
Retrieved 1,176 of 1,176 residues in 782.6 ms
(Link to these results)