| 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 | 33.2 | Very low | 27.4 | Very low | 247 Ų | 247 | 132.8 Ų | 132.8 | 100% | 1.217 | 85% | 0.852 | S | S | * | * | 0 | 139.2 | 0 | -72.9 | 172.9 | 136.2 | 0 | 0 | 107.4 | |||||
| 2 | S | 30 | Very low | 27.7 | Very low | 134 Ų | 134 | 134 Ų | 134 | 94% | 0.937 | 86% | 0.856 | S | S | * | * | trans | -93.8 | 115.6 | -167.1 | -49.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 3 | G | 26.9 | Very low | 27.5 | Very low | 79 Ų | 79 | 135.3 Ų | 135.3 | 81% | 0.814 | 85% | 0.853 | S | S | * | * | trans | -94 | 128 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 4 | G | 25.4 | Very low | 27.8 | Very low | 77 Ų | 77 | 139.6 Ų | 139.6 | 79% | 0.794 | 86% | 0.857 | S | S | * | * | trans | -85.4 | 150.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | N6 | G4-N6 PolarHBondContact O-N 3.24Š| ||
| 5 | T | 30.8 | Very low | 28 | Very low | 143 Ų | 143 | 136.1 Ų | 136.1 | 88% | 0.877 | 85% | 0.847 | S | S | * | * | trans | -70.9 | 115.6 | 173.9 | 38.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 6 | N | 23.1 | Very low | 28.7 | Very low | 164 Ų | 164 | 135.5 Ų | 135.5 | 88% | 0.877 | 84% | 0.836 | S | S | * | * | trans | -101.2 | 96.9 | 173.1 | -113.5 | -7.4 | 0 | 0 | 0 | 110 | G4 G8 | G4-N6 PolarHBondContact O-N 3.24Å; N6-G8 VanDerWaalsContact C-N 3.33Å; N6-G8 PolarHBondContact O-N 3.49Å; N6-G8 VanDerWaalsContact O-N 3.07Å | ||
| 7 | L | 28.7 | Very low | 30 | Very low | 169 Ų | 169 | 128.7 Ų | 128.7 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | trans | -76.8 | 85.4 | 167.7 | -82.3 | 165.6 | 0 | 0 | 0 | 109.3 | ||||
| 8 | G | 23.8 | Very low | 31.5 | Very low | 66 Ų | 66 | 128.9 Ų | 128.9 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | trans | -80.8 | 113.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N6 P10 | N6-G8 VanDerWaalsContact C-N 3.33Å; N6-G8 PolarHBondContact O-N 3.49Å; N6-G8 VanDerWaalsContact O-N 3.07Å; G8-P10 VanDerWaalsContact O-CD 3.3Å; G8-P10 WeakPolarHBondContact O-CD 3.24Å | ||
| 9 | F | 25.8 | Very low | 33.4 | Very low | 203 Ų | 203 | 127.1 Ų | 127.1 | 89% | 0.89 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 122.3 | 162.2 | -84.9 | -98.6 | 0 | 0 | 0 | 109.9 | ||
| 10 | P | 30.2 | Very low | 35.2 | Very low | 116 Ų | 116 | 123.5 Ų | 123.5 | 75% | 0.753 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 121.8 | 154.3 | 30.8 | -28 | 0 | 0 | 0 | 108 | G8 | G8-P10 VanDerWaalsContact O-CD 3.3Å; G8-P10 WeakPolarHBondContact O-CD 3.24Å |
| 11 | G | 24.1 | Very low | 36.5 | Very low | 63 Ų | 63 | 126.6 Ų | 126.6 | 65% | 0.649 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -73 | 170.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | N13 | G11-N13 PolarHBondContact O-N 2.84Š|
| 12 | T | 30.6 | Very low | 38.1 | Very low | 147 Ų | 147 | 117.6 Ų | 117.6 | 90% | 0.902 | 70% | 0.698 | S | S | * | * | trans | -60.2 | 101.1 | 175.8 | 50.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 13 | N | 24.6 | Very low | 40.3 | Very low | 151 Ų | 151 | 111.8 Ų | 111.8 | 81% | 0.807 | 66% | 0.658 | S | S | * | * | trans | -115.9 | 150.6 | 152.8 | -78.3 | -34.2 | 0 | 0 | 0 | 107.6 | G11 A15 | G11-N13 PolarHBondContact O-N 2.84Å; N13-A15 PolarHBondContact O-N 3.11Å; N13-A15 VanDerWaalsContact O-N 3.13Å | ||
| 14 | Q | 32.2 | Very low | 42.7 | Very low | 196 Ų | 196 | 109.8 Ų | 109.8 | 92% | 0.916 | 63% | 0.631 | S | S | * | * | trans | -66.1 | 110.4 | 162.4 | -71.2 | 169.9 | -64.6 | 0 | 0 | 107.3 | ||||
| 15 | A | 30.4 | Very low | 45.4 | Very low | 86 Ų | 86 | 107.5 Ų | 107.5 | 71% | 0.711 | 60% | 0.602 | S | S | * | * | trans | -82.9 | 120 | 165.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | N13 | N13-A15 PolarHBondContact O-N 3.11Å; N13-A15 VanDerWaalsContact O-N 3.13Å | ||
| 16 | L | 39.7 | Very low | 47.8 | Very low | 127 Ų | 127 | 102.6 Ų | 102.6 | 67% | 0.665 | 57% | 0.574 | S | S | * | * | trans | -63.8 | 151.6 | 162.5 | -76.2 | 79.5 | 0 | 0 | 0 | 108.2 | H18 | L16-H18 VanDerWaalsContact C-N 3.32Å; L16-H18 PolarHBondContact O-CD2 2.69Å; L16-H18 PolarHBondContact O-N 3.49Å | ||
| 17 | A | 51.1 | Low | 50.7 | Low | 20 Ų | 20 | 96.8 Ų | 96.8 | 17% | 0.165 | 55% | 0.548 | C | S | . | . | trans | -66.9 | 86.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L231 L289 | A17-L231 HydrophobicContact CB-CD1 3.88Å; A17-L289 VanDerWaalsContact O-CD1 3.25Å; A17-L289 WeakPolarHBondContact O-CD1 3.33Å | ||
| 18 | H | 56.5 | Low | 53.2 | Low | 132 Ų | 132 | 98.9 Ų | 98.9 | 61% | 0.611 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -101.2 | 139.3 | 177 | -67.9 | -58.2 | 0 | 0 | 0 | 111.4 | L16 | L16-H18 VanDerWaalsContact C-N 3.32Å; L16-H18 PolarHBondContact O-CD2 2.69Å; L16-H18 PolarHBondContact O-N 3.49Å |
| 19 | R | 66.8 | Low | 56.1 | Low | 95 Ų | 95 | 96.8 Ų | 96.8 | 36% | 0.358 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 147.1 | 176 | -169 | 173 | 73.7 | -138 | -7.7 | 112.2 | E204 W220 H223 | R19-E204 WeakPolarHBondContact CB-OE1 3.26Å; R19-E204 IonicContact CZ-OE1 3.51Å; R19-E204 IonicContact NE-OE1 2.71Å; R19-E204 IonicContact NH1-OE1 2.67Å; R19-E204 PolarHBondContact NH1-OE1 2.76Å; R19-E204 IonicContact NH2-OE1 3.1Å; R19-W220 HydrophobicContact CB-CD2 3.7Å; R19-W220 HydrophobicContact CB-CE3 3.79Å; R19-W220 HydrophobicContact CB-CG 4.3Å; R19-W220 HydrophobicContact CB-CH2 4.11Å; R19-W220 HydrophobicContact CB-CZ2 4.02Å; R19-W220 HydrophobicContact CB-CZ3 3.99Å; R19-W220 HydrophobicContact CG-CB 4.13Å; R19-W220 HydrophobicContact CG-CD2 3.49Å; R19-W220 VanDerWaalsContact CG-CD2 3.49Å; R19-W220 HydrophobicContact CG-CE3 3.97Å; R19-W220 HydrophobicContact CG-CG 3.53Å; R19-H223 PolarHBondContact NE-NE2 3.26Å; R19-H223 PolarHBondContact NH1-CE1 3.23Å |
| 20 | K | 69.3 | Low | 59.1 | Low | 55 Ų | 55 | 87.4 Ų | 87.4 | 24% | 0.239 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 144.7 | 166.5 | -68.8 | -179 | -176.8 | 165.1 | 0 | 110.5 | D22 S24 D228 | K20-D22 VanDerWaalsContact C-N 3.32Å; K20-D22 WeakPolarHBondContact CB-O 3.45Å; K20-S24 PolarHBondContact NZ-O 3.26Å; K20-D228 WeakPolarHBondContact CE-O 3.48Å; K20-D228 PolarHBondContact NZ-O 3.15Å |
| 21 | K | 64.1 | Low | 61.8 | Low | 189 Ų | 189 | 88 Ų | 88 | 82% | 0.822 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -83.9 | -13.3 | 177.1 | -165.9 | 169.9 | -179.4 | 177.5 | 0 | 113 | ||
| 22 | D | 66.4 | Low | 64.8 | Low | 57 Ų | 57 | 86.1 Ų | 86.1 | 31% | 0.305 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -159.3 | 150.3 | -161.8 | 53.4 | -51.9 | 0 | 0 | 0 | 108.8 | K20 S24 | K20-D22 VanDerWaalsContact C-N 3.32Å; K20-D22 WeakPolarHBondContact CB-O 3.45Å; D22-S24 PolarHBondContact O-N 2.8Å; D22-S24 WeakPolarHBondContact OD2-CB 3.44Å; D22-S24 PolarHBondContact OD2-OG 3.28Å |
| 23 | S | 76.1 | Confident | 67.5 | Low | 13 Ų | 13 | 83.6 Ų | 83.6 | 9% | 0.091 | 43% | 0.431 | C | S | . | . | trans | -77.9 | 23.3 | -175.6 | 117.9 | 0 | 0 | 0 | 0 | 113.5 | E76 K90 S226 | S23-E76 WeakPolarHBondContact CB-OE1 3.36Å; S23-E76 PolarHBondContact N-OE1 2.8Å; S23-E76 VanDerWaalsContact OG-CD 3.31Å; S23-E76 PolarHBondContact OG-OE2 2.82Å; S23-K90 PolarHBondContact OG-NZ 3.34Å; S23-S226 WeakPolarHBondContact CB-OG 3.49Å; S23-S226 WeakPolarHBondContact OG-CB 3.32Å; S23-S226 PolarHBondContact OG-OG 2.91Å | ||
| 24 | S | 78 | Confident | 70.4 | Confident | 36 Ų | 36 | 80.1 Ų | 80.1 | 25% | 0.252 | 41% | 0.413 | S | S | . | . | trans | -56 | 136.8 | -173.3 | -77 | 0 | 0 | 0 | 0 | 113 | K20 D22 | K20-S24 PolarHBondContact NZ-O 3.26Å; D22-S24 PolarHBondContact O-N 2.8Å; D22-S24 WeakPolarHBondContact OD2-CB 3.44Å; D22-S24 PolarHBondContact OD2-OG 3.28Å | ||
| 25 | P | 81.6 | Confident | 73 | Confident | 29 Ų | 29 | 70.8 Ų | 70.8 | 19% | 0.188 | 37% | 0.369 | C | S | . | . | trans | -72.8 | 140 | -175.1 | 28.4 | -34.6 | 0 | 0 | 0 | 112.9 | A27 L69 L72 Q73 | P25-A27 PolarHBondContact O-N 3.39Å; P25-A27 VanDerWaalsContact O-N 3.13Å; P25-L69 HydrophobicContact CB-CD2 3.92Å; P25-L69 HydrophobicContact CG-CD2 4.32Å; P25-L72 HydrophobicContact CB-CB 3.74Å; P25-L72 HydrophobicContact CB-CD1 3.97Å; P25-L72 HydrophobicContact CB-CG 4.49Å; P25-L72 HydrophobicContact CG-CB 3.96Å; P25-Q73 HydrophobicContact CG-CB 4.36Å | ||
| 26 | S | 81.2 | Confident | 75.9 | Confident | 40 Ų | 40 | 68.2 Ų | 68.2 | 28% | 0.28 | 34% | 0.343 | S | S | . | . | trans | -78.1 | 98.6 | 177.9 | -177.1 | 0 | 0 | 0 | 0 | 111.4 | R28 F29 W30 | S26-R28 PolarHBondContact O-N 2.85Å; S26-F29 PolarHBondContact O-N 3.45Å; S26-F29 VanDerWaalsContact O-N 3.11Å; S26-F29 PolarHBondContact OG-N 3.47Å; S26-W30 PolarHBondContact O-N 2.76Å | ||
| 27 | A | 83.9 | Confident | 78.4 | Confident | 42 Ų | 42 | 67.1 Ų | 67.1 | 35% | 0.347 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -51.6 | -44.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P25 F29 W30 E31 L69 | P25-A27 PolarHBondContact O-N 3.39Å; P25-A27 VanDerWaalsContact O-N 3.13Å; A27-F29 PolarHBondContact O-N 2.81Å; A27-W30 PolarHBondContact O-N 3.32Å; A27-W30 VanDerWaalsContact O-N 3.14Å; A27-E31 WeakPolarHBondContact O-CB 3.48Å; A27-E31 WeakPolarHBondContact O-CG 3.21Å; A27-E31 PolarHBondContact O-N 2.83Å; A27-L69 HydrophobicContact CB-CD1 4.33Å |
| 28 | R | 81.4 | Confident | 80.3 | Confident | 213 Ų | 213 | 70.4 Ų | 70.4 | 80% | 0.804 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -55.8 | -33.9 | 178.1 | -68.7 | -174.6 | 178.4 | -177.6 | 0.5 | 114 | S26 S32 | S26-R28 PolarHBondContact O-N 2.85Å; R28-S32 PolarHBondContact O-N 3.46Å |
| 29 | F | 84.1 | Confident | 82.1 | Confident | 22 Ų | 22 | 64.1 Ų | 64.1 | 10% | 0.096 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -73.9 | -46.7 | 177.8 | 171 | -99.6 | 0 | 0 | 0 | 111.4 | S26 A27 S32 T35 L97 K212 W230 | S26-F29 PolarHBondContact O-N 3.45Å; S26-F29 VanDerWaalsContact O-N 3.11Å; S26-F29 PolarHBondContact OG-N 3.47Å; A27-F29 PolarHBondContact O-N 2.81Å; F29-S32 WeakPolarHBondContact O-CB 3.45Å; F29-S32 PolarHBondContact O-N 3.44Å; F29-S32 PolarHBondContact O-OG 2.93Å; F29-T35 HydrophobicContact CE1-CG2 4.06Å; F29-T35 HydrophobicContact CZ-CG2 4.23Å; F29-T35 VanDerWaalsContact O-CB 3.25Å; F29-T35 WeakPolarHBondContact O-CB 3.33Å; F29-T35 PolarHBondContact O-OG1 3.18Å; F29-L97 HydrophobicContact CE1-CD2 3.78Å; F29-L97 HydrophobicContact CZ-CD2 4.18Å; F29-K212 HydrophobicContact CE2-CD 4.33Å; F29-W230 HydrophobicContact CD2-CD2 4.42Å; F29-W230 AromaticContact CD2-CE2 3.46Å; F29-W230 VanDerWaalsContact CD2-CE2 3.46Å; F29-W230 HydrophobicContact CD2-CH2 4.4Å; F29-W230 AromaticContact CD2-CZ2 3.45Å; F29-W230 HydrophobicContact CD2-CZ2 3.45Å; F29-W230 VanDerWaalsContact CD2-CZ2 3.45Å; F29-W230 AromaticContact CD2-NE1 3.41Å; F29-W230 AromaticContact CE2-CE2 3.86Å; F29-W230 HydrophobicContact CE2-CH2 4.17Å; F29-W230 AromaticContact CE2-CZ2 3.33Å; F29-W230 HydrophobicContact CE2-CZ2 3.33Å; F29-W230 HydrophobicContact CG-CZ2 4.43Å; F29-W230 AromaticContact CG-NE1 3.59Å; F29-W230 HydrophobicContact CZ-CZ2 4.24Å |
| 30 | W | 88.3 | Confident | 83.4 | Confident | 7 Ų | 7 | 62.3 Ų | 62.3 | 3% | 0.027 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -72.6 | -29.2 | -177.1 | -75.6 | 107 | 0 | 0 | 0 | 113.7 | S26 A27 T35 L39 A65 T68 L69 L72 F96 L97 L99 L105 | S26-W30 PolarHBondContact O-N 2.76Å; A27-W30 PolarHBondContact O-N 3.32Å; A27-W30 VanDerWaalsContact O-N 3.14Å; W30-T35 HydrophobicContact CE3-CG2 3.82Å; W30-T35 HydrophobicContact CZ3-CG2 4.03Å; W30-L39 HydrophobicContact CE3-CD1 4.23Å; W30-L39 HydrophobicContact CZ3-CD1 4.25Å; W30-L39 HydrophobicContact CZ3-CD2 4.33Å; W30-A65 HydrophobicContact CB-CB 4.4Å; W30-A65 VanDerWaalsContact O-CB 3.32Å; W30-A65 WeakPolarHBondContact O-CB 3.35Å; W30-T68 HydrophobicContact CD2-CG2 4.2Å; W30-T68 HydrophobicContact CE3-CG2 4.23Å; W30-T68 HydrophobicContact CH2-CG2 3.69Å; W30-T68 HydrophobicContact CZ2-CG2 3.61Å; W30-T68 HydrophobicContact CZ3-CG2 3.99Å; W30-L69 HydrophobicContact CB-CD1 3.95Å; W30-L69 HydrophobicContact CB-CD2 3.88Å; W30-L69 HydrophobicContact CB-CG 3.78Å; W30-L69 HydrophobicContact CG-CD2 3.81Å; W30-L69 HydrophobicContact CG-CG 3.98Å; W30-L72 HydrophobicContact CZ2-CD1 4.33Å; W30-F96 VanDerWaalsContact CH2-O 3.28Å; W30-F96 WeakPolarHBondContact CH2-O 3.34Å; W30-L97 HydrophobicContact CZ2-CD2 4.16Å; W30-L99 HydrophobicContact CZ3-CD2 4.43Å; W30-L105 HydrophobicContact CH2-CD2 3.86Å; W30-L105 HydrophobicContact CZ3-CD2 3.98Å |
| 31 | E | 88.2 | Confident | 84.7 | Confident | 129 Ų | 129 | 62.7 Ų | 62.7 | 60% | 0.603 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -4.5 | 176.3 | -64.1 | 175.2 | 159.3 | 0 | 0 | 113.3 | A27 | A27-E31 WeakPolarHBondContact O-CB 3.48Å; A27-E31 WeakPolarHBondContact O-CG 3.21Å; A27-E31 PolarHBondContact O-N 2.83Å |
| 32 | S | 87.3 | Confident | 86.1 | Confident | 23 Ų | 23 | 53.7 Ų | 53.7 | 16% | 0.161 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -67.3 | 143.3 | -179.4 | 67.4 | 0 | 0 | 0 | 0 | 112.3 | R28 F29 D34 T35 L36 | R28-S32 PolarHBondContact O-N 3.46Å; F29-S32 WeakPolarHBondContact O-CB 3.45Å; F29-S32 PolarHBondContact O-N 3.44Å; F29-S32 PolarHBondContact O-OG 2.93Å; S32-D34 PolarHBondContact O-N 2.81Å; S32-T35 PolarHBondContact O-N 2.75Å; S32-T35 WeakPolarHBondContact OG-CB 3.44Å; S32-T35 PolarHBondContact OG-N 2.9Å; S32-T35 PolarHBondContact OG-OG1 3.41Å; S32-L36 WeakPolarHBondContact O-CG 3.36Å; S32-L36 PolarHBondContact O-N 3.23Å |
| 33 | P | 86.9 | Confident | 87.5 | Confident | 94 Ų | 94 | 54.9 Ų | 54.9 | 61% | 0.61 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -53.1 | -40.5 | -179.4 | -27.1 | 35.8 | 0 | 0 | 0 | 113 | L36 T37 | P33-L36 CarbonylContact O-C 3.59Å; P33-L36 WeakPolarHBondContact O-CB 3.31Å; P33-L36 PolarHBondContact O-N 2.8Å; P33-T37 PolarHBondContact O-N 3.38Å; P33-T37 PolarHBondContact O-OG1 3.42Å |
| 34 | D | 84.9 | Confident | 88.4 | Confident | 77 Ų | 77 | 60 Ų | 60 | 41% | 0.412 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -72.9 | -38.9 | -173.5 | -42.3 | -79.4 | 0 | 0 | 0 | 111.5 | S32 T37 Q38 | S32-D34 PolarHBondContact O-N 2.81Å; D34-T37 PolarHBondContact O-N 2.86Å; D34-Q38 VanDerWaalsContact O-CG 3.3Å; D34-Q38 WeakPolarHBondContact O-CG 3.29Å; D34-Q38 PolarHBondContact O-N 3.31Å |
| 35 | T | 86.8 | Confident | 89.3 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.8 | -36.9 | 171.6 | -58.6 | 0 | 0 | 0 | 0 | 110.9 | F29 W30 S32 T37 Q38 L39 K212 | F29-T35 HydrophobicContact CE1-CG2 4.06Å; F29-T35 HydrophobicContact CZ-CG2 4.23Å; F29-T35 VanDerWaalsContact O-CB 3.25Å; F29-T35 WeakPolarHBondContact O-CB 3.33Å; F29-T35 PolarHBondContact O-OG1 3.18Å; W30-T35 HydrophobicContact CE3-CG2 3.82Å; W30-T35 HydrophobicContact CZ3-CG2 4.03Å; S32-T35 PolarHBondContact O-N 2.75Å; S32-T35 WeakPolarHBondContact OG-CB 3.44Å; S32-T35 PolarHBondContact OG-N 2.9Å; S32-T35 PolarHBondContact OG-OG1 3.41Å; T35-T37 VanDerWaalsContact C-N 3.31Å; T35-T37 PolarHBondContact O-N 3.26Å; T35-Q38 PolarHBondContact O-N 2.91Å; T35-L39 HydrophobicContact CG2-CD1 4.33Å; T35-L39 WeakPolarHBondContact O-CB 3.21Å; T35-L39 WeakPolarHBondContact O-CG 3.42Å; T35-L39 PolarHBondContact O-N 2.76Å; T35-K212 PolarHBondContact OG1-NZ 2.68Å |
| 36 | L | 92.1 | Very high | 89.9 | Confident | 33 Ų | 33 | 58.7 Ų | 58.7 | 17% | 0.173 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.9 | -33.5 | 172.9 | -68.9 | 172.1 | 0 | 0 | 0 | 112.5 | S32 P33 L39 C61 Q62 A65 | S32-L36 WeakPolarHBondContact O-CG 3.36Å; S32-L36 PolarHBondContact O-N 3.23Å; P33-L36 CarbonylContact O-C 3.59Å; P33-L36 WeakPolarHBondContact O-CB 3.31Å; P33-L36 PolarHBondContact O-N 2.8Å; L36-L39 HydrophobicContact CD2-CD1 4.42Å; L36-C61 HydrophobicContact CB-CB 4.41Å; L36-C61 HydrophobicContact CD2-CB 4.11Å; L36-C61 VanDerWaalsContact O-CB 3.22Å; L36-C61 WeakPolarHBondContact O-CB 3.25Å; L36-C61 PolarHBondContact O-SG 2.95Å; L36-Q62 HydrophobicContact CD1-CG 4.14Å; L36-Q62 HydrophobicContact CD2-CB 4.46Å; L36-Q62 HydrophobicContact CD2-CG 4.02Å; L36-A65 HydrophobicContact CD2-CB 3.91Å |
| 37 | T | 92.3 | Very high | 90.4 | Very high | 103 Ų | 103 | 58.4 Ų | 58.4 | 63% | 0.632 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -70.8 | -43.2 | 172.7 | -61.3 | 0 | 0 | 0 | 0 | 111.6 | P33 D34 T35 L39 E40 | P33-T37 PolarHBondContact O-N 3.38Å; P33-T37 PolarHBondContact O-OG1 3.42Å; D34-T37 PolarHBondContact O-N 2.86Å; T35-T37 VanDerWaalsContact C-N 3.31Å; T35-T37 PolarHBondContact O-N 3.26Å; T37-L39 VanDerWaalsContact C-N 3.32Å; T37-L39 PolarHBondContact O-N 2.9Å; T37-E40 WeakPolarHBondContact O-CB 3.44Å; T37-E40 PolarHBondContact O-N 3.13Å; T37-E40 VanDerWaalsContact O-N 3.15Å |
| 38 | Q | 89.9 | Confident | 90.9 | Very high | 90 Ų | 90 | 63.7 Ų | 63.7 | 42% | 0.421 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.7 | -37.2 | 175.3 | -71 | 167.5 | -17.6 | 0 | 0 | 112 | D34 T35 E40 V41 L99 | D34-Q38 VanDerWaalsContact O-CG 3.3Å; D34-Q38 WeakPolarHBondContact O-CG 3.29Å; D34-Q38 PolarHBondContact O-N 3.31Å; T35-Q38 PolarHBondContact O-N 2.91Å; Q38-E40 PolarHBondContact O-N 3.36Å; Q38-E40 VanDerWaalsContact O-N 3.1Å; Q38-V41 WeakPolarHBondContact O-CB 3.22Å; Q38-V41 PolarHBondContact O-N 2.73Å; Q38-V41 VanDerWaalsContact O-N 3.11Å; Q38-L99 HydrophobicContact CB-CD1 3.96Å |
| 39 | L | 94.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.6 | -14.1 | 174 | -82.2 | 168.7 | 0 | 0 | 0 | 114.5 | W30 T35 L36 T37 V41 V42 R43 C61 L64 A65 L99 L105 | W30-L39 HydrophobicContact CE3-CD1 4.23Å; W30-L39 HydrophobicContact CZ3-CD1 4.25Å; W30-L39 HydrophobicContact CZ3-CD2 4.33Å; T35-L39 HydrophobicContact CG2-CD1 4.33Å; T35-L39 WeakPolarHBondContact O-CB 3.21Å; T35-L39 WeakPolarHBondContact O-CG 3.42Å; T35-L39 PolarHBondContact O-N 2.76Å; L36-L39 HydrophobicContact CD2-CD1 4.42Å; T37-L39 VanDerWaalsContact C-N 3.32Å; T37-L39 PolarHBondContact O-N 2.9Å; L39-V41 VanDerWaalsContact C-N 3.28Å; L39-V41 PolarHBondContact O-N 2.82Å; L39-V42 HydrophobicContact CD2-CB 4.26Å; L39-V42 HydrophobicContact CD2-CG1 4.47Å; L39-V42 HydrophobicContact CD2-CG2 4.37Å; L39-V42 PolarHBondContact O-N 3.33Å; L39-R43 WeakPolarHBondContact O-CB 3.39Å; L39-R43 PolarHBondContact O-N 2.98Å; L39-C61 HydrophobicContact CB-CB 3.91Å; L39-L64 HydrophobicContact CD2-CB 4.4Å; L39-A65 HydrophobicContact CD1-CB 3.81Å; L39-L99 HydrophobicContact CD2-CD2 3.71Å; L39-L99 HydrophobicContact CG-CD2 3.99Å; L39-L105 HydrophobicContact CD2-CD2 3.72Å |
| 40 | E | 95.1 | Very high | 91.9 | Very high | 57 Ų | 57 | 59 Ų | 59 | 27% | 0.266 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.1 | -35.3 | 172.3 | 179.6 | 56.4 | -155.6 | 0 | 0 | 111.6 | T37 Q38 R43 Q44 | T37-E40 WeakPolarHBondContact O-CB 3.44Å; T37-E40 PolarHBondContact O-N 3.13Å; T37-E40 VanDerWaalsContact O-N 3.15Å; Q38-E40 PolarHBondContact O-N 3.36Å; Q38-E40 VanDerWaalsContact O-N 3.1Å; E40-R43 PolarHBondContact O-N 3.08Å; E40-R43 IonicContact OE1-CZ 2.96Å; E40-R43 IonicContact OE1-NE 3.83Å; E40-R43 PolarHBondContact OE1-NE 3.4Å; E40-R43 IonicContact OE1-NH2 3.91Å; E40-R43 PolarHBondContact OE1-NH2 2.94Å; E40-R43 IonicContact OE2-CZ 3.57Å; E40-R43 IonicContact OE2-NE 3.15Å; E40-R43 PolarHBondContact OE2-NE 2.98Å; E40-R43 IonicContact OE2-NH2 3.09Å; E40-R43 PolarHBondContact OE2-NH2 3.3Å; E40-Q44 WeakPolarHBondContact O-CB 3.47Å; E40-Q44 VanDerWaalsContact O-CG 3.32Å; E40-Q44 WeakPolarHBondContact O-CG 3.46Å; E40-Q44 PolarHBondContact O-N 3.4Å; E40-Q44 WeakPolarHBondContact OE1-CG 3.38Å; E40-Q44 PolarHBondContact OE1-NE2 2.95Å |
| 41 | V | 94.7 | Very high | 92.1 | Very high | 62 Ų | 62 | 64.4 Ų | 64.4 | 38% | 0.376 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.7 | -50.1 | 175 | 178.8 | 0 | 0 | 0 | 0 | 110.2 | Q38 L39 R43 Q44 W45 P101 | Q38-V41 WeakPolarHBondContact O-CB 3.22Å; Q38-V41 PolarHBondContact O-N 2.73Å; Q38-V41 VanDerWaalsContact O-N 3.11Å; L39-V41 VanDerWaalsContact C-N 3.28Å; L39-V41 PolarHBondContact O-N 2.82Å; V41-R43 VanDerWaalsContact C-N 3.34Å; V41-R43 PolarHBondContact O-N 3.02Å; V41-Q44 PolarHBondContact O-N 2.99Å; V41-W45 WeakPolarHBondContact O-CB 3.37Å; V41-W45 PolarHBondContact O-N 3.16Å; V41-P101 HydrophobicContact CG1-CB 4.16Å; V41-P101 HydrophobicContact CG1-CG 3.64Å |
| 42 | V | 95.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 177.1 | 178.7 | 0 | 0 | 0 | 0 | 110.9 | L39 W45 I46 L99 L109 | L39-V42 HydrophobicContact CD2-CB 4.26Å; L39-V42 HydrophobicContact CD2-CG1 4.47Å; L39-V42 HydrophobicContact CD2-CG2 4.37Å; L39-V42 PolarHBondContact O-N 3.33Å; V42-W45 PolarHBondContact O-N 2.91Å; V42-I46 HydrophobicContact CG1-CD1 3.63Å; V42-I46 HydrophobicContact CG1-CG1 4.38Å; V42-I46 WeakPolarHBondContact O-CB 3.39Å; V42-I46 VanDerWaalsContact O-CG1 3.24Å; V42-I46 WeakPolarHBondContact O-CG1 3.36Å; V42-I46 PolarHBondContact O-N 3.43Å; V42-L99 HydrophobicContact CG2-CB 4.39Å; V42-L99 HydrophobicContact CG2-CD2 3.98Å; V42-L99 WeakPolarHBondContact CG2-O 3.34Å; V42-L109 HydrophobicContact CG1-CD1 4.11Å |
| 43 | R | 95.4 | Very high | 92.5 | Very high | 83 Ų | 83 | 68 Ų | 68 | 31% | 0.313 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 177.3 | -165.9 | -167.3 | 72.6 | 77.4 | 2.3 | 112.2 | L39 E40 V41 G47 P59 L64 | L39-R43 WeakPolarHBondContact O-CB 3.39Å; L39-R43 PolarHBondContact O-N 2.98Å; E40-R43 PolarHBondContact O-N 3.08Å; E40-R43 IonicContact OE1-CZ 2.96Å; E40-R43 IonicContact OE1-NE 3.83Å; E40-R43 PolarHBondContact OE1-NE 3.4Å; E40-R43 IonicContact OE1-NH2 3.91Å; E40-R43 PolarHBondContact OE1-NH2 2.94Å; E40-R43 IonicContact OE2-CZ 3.57Å; E40-R43 IonicContact OE2-NE 3.15Å; E40-R43 PolarHBondContact OE2-NE 2.98Å; E40-R43 IonicContact OE2-NH2 3.09Å; E40-R43 PolarHBondContact OE2-NH2 3.3Å; V41-R43 VanDerWaalsContact C-N 3.34Å; V41-R43 PolarHBondContact O-N 3.02Å; R43-G47 PolarHBondContact O-N 2.83Å; R43-P59 WeakPolarHBondContact CD-O 3.41Å; R43-P59 WeakPolarHBondContact CG-O 3.42Å; R43-L64 HydrophobicContact CB-CD1 3.74Å; R43-L64 HydrophobicContact CG-CD1 4.03Å |
| 44 | Q | 94.8 | Very high | 92.7 | Very high | 120 Ų | 120 | 63.8 Ų | 63.8 | 56% | 0.561 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -66.8 | -43.3 | 177.7 | -71.9 | -179.8 | 23.6 | 0 | 0 | 111.9 | E40 V41 G47 K48 | E40-Q44 WeakPolarHBondContact O-CB 3.47Å; E40-Q44 VanDerWaalsContact O-CG 3.32Å; E40-Q44 WeakPolarHBondContact O-CG 3.46Å; E40-Q44 PolarHBondContact O-N 3.4Å; E40-Q44 WeakPolarHBondContact OE1-CG 3.38Å; E40-Q44 PolarHBondContact OE1-NE2 2.95Å; V41-Q44 PolarHBondContact O-N 2.99Å; Q44-G47 PolarHBondContact O-N 2.75Å; Q44-K48 PolarHBondContact O-N 3.05Å |
| 45 | W | 95.9 | Very high | 92.6 | Very high | 36 Ų | 36 | 65.9 Ų | 65.9 | 14% | 0.136 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.8 | -47.1 | 178.4 | -171.8 | 101.4 | 0 | 0 | 0 | 111.6 | V41 V42 G47 K48 H49 Y50 G102 C106 H107 | V41-W45 WeakPolarHBondContact O-CB 3.37Å; V41-W45 PolarHBondContact O-N 3.16Å; V42-W45 PolarHBondContact O-N 2.91Å; W45-G47 VanDerWaalsContact C-N 3.35Å; W45-G47 PolarHBondContact O-N 2.9Å; W45-K48 WeakPolarHBondContact O-CB 3.49Å; W45-K48 PolarHBondContact O-N 3.32Å; W45-K48 VanDerWaalsContact O-N 3.12Å; W45-H49 AromaticContact CD1-CD2 3.91Å; W45-H49 HydrophobicContact CD2-CB 4.29Å; W45-H49 AromaticContact CD2-CD2 3.84Å; W45-H49 AromaticContact CE2-CD2 3.62Å; W45-H49 AromaticContact CE2-CG 3.78Å; W45-H49 HydrophobicContact CE3-CB 4.14Å; W45-H49 HydrophobicContact CH2-CB 3.98Å; W45-H49 HydrophobicContact CZ2-CB 4.11Å; W45-H49 AromaticContact CZ2-CG 3.84Å; W45-H49 HydrophobicContact CZ3-CB 4Å; W45-H49 AromaticContact NE1-CD2 3.66Å; W45-H49 AromaticContact NE1-NE2 3.77Å; W45-H49 PolarHBondContact O-CD2 2.85Å; W45-H49 PolarHBondContact O-N 2.76Å; W45-Y50 HydrophobicContact CH2-CD2 4.41Å; W45-Y50 AromaticContact CH2-CE2 3.89Å; W45-Y50 HydrophobicContact CH2-CE2 3.89Å; W45-Y50 AromaticContact CZ3-CD2 3.8Å; W45-Y50 HydrophobicContact CZ3-CD2 3.8Å; W45-Y50 AromaticContact CZ3-CE2 3.59Å; W45-Y50 HydrophobicContact CZ3-CE2 3.59Å; W45-G102 VanDerWaalsContact CD1-N 3.34Å; W45-G102 VanDerWaalsContact CE2-CA 3.47Å; W45-C106 HydrophobicContact CD2-CB 3.94Å; W45-C106 HydrophobicContact CE3-CB 3.51Å; W45-C106 HydrophobicContact CH2-CB 4.29Å; W45-C106 HydrophobicContact CZ3-CB 3.7Å; W45-H107 AromaticContact CH2-CE1 3.6Å; W45-H107 AromaticContact CH2-NE2 3.59Å; W45-H107 AromaticContact CZ2-NE2 3.78Å |
| 46 | I | 94.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 72.7 Ų | 72.7 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.1 | -43 | 176.1 | -69.2 | 170.7 | 0 | 0 | 0 | 110.6 | V42 K48 Y50 V54 L109 | V42-I46 HydrophobicContact CG1-CD1 3.63Å; V42-I46 HydrophobicContact CG1-CG1 4.38Å; V42-I46 WeakPolarHBondContact O-CB 3.39Å; V42-I46 VanDerWaalsContact O-CG1 3.24Å; V42-I46 WeakPolarHBondContact O-CG1 3.36Å; V42-I46 PolarHBondContact O-N 3.43Å; I46-K48 PolarHBondContact O-N 2.79Å; I46-Y50 CarbonylContact O-C 3.22Å; I46-Y50 WeakPolarHBondContact O-CA 3.45Å; I46-Y50 WeakPolarHBondContact O-CB 3.35Å; I46-Y50 PolarHBondContact O-N 2.69Å; I46-V54 HydrophobicContact CG2-CG1 4.35Å; I46-V54 HydrophobicContact CG2-CG2 3.85Å; I46-L109 HydrophobicContact CD1-CB 3.52Å; I46-L109 HydrophobicContact CD1-CD1 4.38Å |
| 47 | G | 92.9 | Very high | 91.7 | Very high | 34 Ų | 34 | 75.1 Ų | 75.1 | 35% | 0.351 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.4 | -24.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | R43 Q44 W45 K51 | R43-G47 PolarHBondContact O-N 2.83Å; Q44-G47 PolarHBondContact O-N 2.75Å; W45-G47 VanDerWaalsContact C-N 3.35Å; W45-G47 PolarHBondContact O-N 2.9Å; G47-K51 WeakPolarHBondContact O-CB 3.46Å |
| 48 | K | 94.1 | Very high | 91.5 | Very high | 154 Ų | 154 | 73.7 Ų | 73.7 | 67% | 0.67 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -86.2 | -55 | 174.6 | 178.7 | -175.5 | 172.5 | -162.8 | 0 | 112.1 | Q44 W45 I46 | Q44-K48 PolarHBondContact O-N 3.05Å; W45-K48 WeakPolarHBondContact O-CB 3.49Å; W45-K48 PolarHBondContact O-N 3.32Å; W45-K48 VanDerWaalsContact O-N 3.12Å; I46-K48 PolarHBondContact O-N 2.79Å |
| 49 | H | 92.9 | Very high | 91.5 | Very high | 101 Ų | 101 | 69.9 Ų | 69.9 | 47% | 0.468 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -84.1 | -32.6 | -169.6 | -72.2 | -98.7 | 0 | 0 | 0 | 113.5 | W45 | W45-H49 AromaticContact CD1-CD2 3.91Å; W45-H49 HydrophobicContact CD2-CB 4.29Å; W45-H49 AromaticContact CD2-CD2 3.84Å; W45-H49 AromaticContact CE2-CD2 3.62Å; W45-H49 AromaticContact CE2-CG 3.78Å; W45-H49 HydrophobicContact CE3-CB 4.14Å; W45-H49 HydrophobicContact CH2-CB 3.98Å; W45-H49 HydrophobicContact CZ2-CB 4.11Å; W45-H49 AromaticContact CZ2-CG 3.84Å; W45-H49 HydrophobicContact CZ3-CB 4Å; W45-H49 AromaticContact NE1-CD2 3.66Å; W45-H49 AromaticContact NE1-NE2 3.77Å; W45-H49 PolarHBondContact O-CD2 2.85Å; W45-H49 PolarHBondContact O-N 2.76Å |
| 50 | Y | 93.6 | Very high | 91.5 | Very high | 36 Ų | 36 | 72.4 Ų | 72.4 | 14% | 0.141 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -106.9 | 20.7 | 177.8 | -73.2 | -104.1 | 0 | 0 | 0 | 112.5 | W45 I46 K52 Y53 V54 G110 T111 K114 | W45-Y50 HydrophobicContact CH2-CD2 4.41Å; W45-Y50 AromaticContact CH2-CE2 3.89Å; W45-Y50 HydrophobicContact CH2-CE2 3.89Å; W45-Y50 AromaticContact CZ3-CD2 3.8Å; W45-Y50 HydrophobicContact CZ3-CD2 3.8Å; W45-Y50 AromaticContact CZ3-CE2 3.59Å; W45-Y50 HydrophobicContact CZ3-CE2 3.59Å; I46-Y50 CarbonylContact O-C 3.22Å; I46-Y50 WeakPolarHBondContact O-CA 3.45Å; I46-Y50 WeakPolarHBondContact O-CB 3.35Å; I46-Y50 PolarHBondContact O-N 2.69Å; Y50-K52 VanDerWaalsContact C-N 3.27Å; Y50-K52 PolarHBondContact O-N 2.84Å; Y50-Y53 HydrophobicContact CD1-CD2 4.26Å; Y50-Y53 PolarHBondContact O-N 3.41Å; Y50-V54 PolarHBondContact O-N 3.35Å; Y50-G110 WeakPolarHBondContact CD1-O 3.29Å; Y50-G110 VanDerWaalsContact CE1-O 3.25Å; Y50-G110 WeakPolarHBondContact CE1-O 3.48Å; Y50-T111 PolarHBondContact OH-OG1 2.92Å; Y50-T111 VanDerWaalsContact OH-OG1 3.05Å; Y50-K114 HydrophobicContact CD1-CB 4.27Å; Y50-K114 HydrophobicContact CE1-CB 4.36Å |
| 51 | K | 92.1 | Very high | 91.4 | Very high | 119 Ų | 119 | 70.6 Ų | 70.6 | 52% | 0.517 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -42.8 | -45.3 | -172.7 | -170.3 | 176.2 | -179.8 | -179.3 | 0 | 114.5 | G47 Y53 V54 L55 | G47-K51 WeakPolarHBondContact O-CB 3.46Å; K51-Y53 PolarHBondContact O-N 3.38Å; K51-Y53 VanDerWaalsContact O-N 3.16Å; K51-V54 PolarHBondContact O-N 2.86Å; K51-L55 HydrophobicContact CG-CB 4.36Å; K51-L55 WeakPolarHBondContact O-CB 3.47Å; K51-L55 PolarHBondContact O-N 3.36Å |
| 52 | K | 92.3 | Very high | 91.4 | Very high | 176 Ų | 176 | 74 Ų | 74 | 77% | 0.765 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -53.3 | -34.7 | 179 | -177.7 | -179.9 | 177.2 | -176.3 | 0 | 113.3 | Y50 | Y50-K52 VanDerWaalsContact C-N 3.27Å; Y50-K52 PolarHBondContact O-N 2.84Å |
| 53 | Y | 90.6 | Very high | 91.4 | Very high | 51 Ų | 51 | 77.2 Ų | 77.2 | 20% | 0.2 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -95.8 | -11.7 | -173.8 | -56.3 | -76.6 | 0 | 0 | 0 | 113.5 | Y50 K51 K114 V117 E118 | Y50-Y53 HydrophobicContact CD1-CD2 4.26Å; Y50-Y53 PolarHBondContact O-N 3.41Å; K51-Y53 PolarHBondContact O-N 3.38Å; K51-Y53 VanDerWaalsContact O-N 3.16Å; Y53-K114 HydrophobicContact CD1-CB 4.15Å; Y53-K114 HydrophobicContact CD1-CG 4.19Å; Y53-K114 HydrophobicContact CD2-CB 4.05Å; Y53-K114 HydrophobicContact CD2-CG 4.37Å; Y53-K114 HydrophobicContact CE1-CB 4.21Å; Y53-K114 HydrophobicContact CE1-CD 4.49Å; Y53-K114 HydrophobicContact CE1-CG 3.75Å; Y53-K114 HydrophobicContact CE2-CB 4.14Å; Y53-K114 HydrophobicContact CE2-CD 4.06Å; Y53-K114 HydrophobicContact CE2-CG 3.98Å; Y53-K114 HydrophobicContact CG-CB 4.03Å; Y53-K114 HydrophobicContact CG-CG 4.45Å; Y53-K114 WeakPolarHBondContact OH-CE 3.48Å; Y53-V117 HydrophobicContact CD1-CB 3.99Å; Y53-V117 HydrophobicContact CD1-CG1 4.02Å; Y53-V117 WeakPolarHBondContact O-CG2 3.24Å; Y53-E118 HydrophobicContact CE1-CG 4.14Å; Y53-E118 VanDerWaalsContact CE1-OE1 3.3Å; Y53-E118 WeakPolarHBondContact CE1-OE1 3.2Å; Y53-E118 PolarHBondContact OH-OE1 3.43Å |
| 54 | V | 90.9 | Very high | 91.3 | Very high | 6 Ų | 6 | 73.2 Ų | 73.2 | 4% | 0.036 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -124.5 | -20 | -166.9 | -174 | 0 | 0 | 0 | 0 | 112.6 | I46 Y50 K51 V56 D57 A58 P59 Y113 | I46-V54 HydrophobicContact CG2-CG1 4.35Å; I46-V54 HydrophobicContact CG2-CG2 3.85Å; Y50-V54 PolarHBondContact O-N 3.35Å; K51-V54 PolarHBondContact O-N 2.86Å; V54-V56 VanDerWaalsContact C-N 3.27Å; V54-V56 PolarHBondContact O-N 2.82Å; V54-D57 CarbonylContact O-C 3.6Å; V54-D57 VanDerWaalsContact O-C 3.27Å; V54-D57 PolarHBondContact O-N 3.11Å; V54-A58 WeakPolarHBondContact O-CA 3.38Å; V54-A58 PolarHBondContact O-N 3.11Å; V54-P59 HydrophobicContact CG1-CG 4.24Å; V54-Y113 HydrophobicContact CG2-CD1 4.06Å; V54-Y113 HydrophobicContact CG2-CG 4.2Å |
| 55 | L | 84.3 | Confident | 91.3 | Very high | 122 Ų | 122 | 67.7 Ų | 67.7 | 64% | 0.639 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -29.2 | -177.1 | -177.9 | 65.6 | 0 | 0 | 0 | 114.8 | K51 | K51-L55 HydrophobicContact CG-CB 4.36Å; K51-L55 WeakPolarHBondContact O-CB 3.47Å; K51-L55 PolarHBondContact O-N 3.36Å |
| 56 | V | 78.8 | Confident | 91.2 | Very high | 143 Ų | 143 | 68 Ų | 68 | 87% | 0.867 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -24.2 | -177.4 | -176.5 | 0 | 0 | 0 | 0 | 112.5 | V54 | V54-V56 VanDerWaalsContact C-N 3.27Å; V54-V56 PolarHBondContact O-N 2.82Å |
| 57 | D | 81 | Confident | 91.2 | Very high | 84 Ų | 84 | 68.2 Ų | 68.2 | 45% | 0.449 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -144.8 | 65.9 | -174.1 | -178.1 | 27.1 | 0 | 0 | 0 | 108.3 | V54 P59 K116 | V54-D57 CarbonylContact O-C 3.6Å; V54-D57 VanDerWaalsContact O-C 3.27Å; V54-D57 PolarHBondContact O-N 3.11Å; D57-P59 VanDerWaalsContact O-CD 3.29Å; D57-P59 WeakPolarHBondContact O-CD 3.24Å; D57-K116 IonicContact OD2-NZ 2.59Å; D57-K116 PolarHBondContact OD2-NZ 2.88Å |
| 58 | A | 86.9 | Confident | 91.3 | Very high | 72 Ų | 72 | 66.6 Ų | 66.6 | 60% | 0.595 | 35% | 0.35 | S | S | * | . | trans | -73.4 | 112.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | V54 | V54-A58 WeakPolarHBondContact O-CA 3.38Å; V54-A58 PolarHBondContact O-N 3.11Å | ||
| 59 | P | 90.5 | Very high | 91.3 | Very high | 10 Ų | 10 | 60.6 Ų | 60.6 | 7% | 0.065 | 33% | 0.325 | C | S | . | . | trans | -75.4 | 146.6 | -172 | 30.4 | -34.7 | 0 | 0 | 0 | 111.9 | R43 V54 D57 V63 L64 Y113 | R43-P59 WeakPolarHBondContact CD-O 3.41Å; R43-P59 WeakPolarHBondContact CG-O 3.42Å; V54-P59 HydrophobicContact CG1-CG 4.24Å; D57-P59 VanDerWaalsContact O-CD 3.29Å; D57-P59 WeakPolarHBondContact O-CD 3.24Å; P59-V63 HydrophobicContact CB-CB 3.96Å; P59-V63 HydrophobicContact CB-CG1 3.88Å; P59-L64 HydrophobicContact CB-CD2 3.79Å; P59-L64 HydrophobicContact CB-CG 4.12Å; P59-L64 HydrophobicContact CG-CD2 3.48Å; P59-L64 VanDerWaalsContact CG-CD2 3.48Å; P59-L64 HydrophobicContact CG-CG 4.05Å; P59-Y113 HydrophobicContact CB-CE1 4.43Å; P59-Y113 WeakPolarHBondContact CB-OH 3.35Å; P59-Y113 HydrophobicContact CG-CE1 4.08Å | ||
| 60 | S | 94 | Very high | 91.4 | Very high | 54 Ų | 54 | 58.8 Ų | 58.8 | 38% | 0.378 | 32% | 0.317 | S | S | . | . | trans | -78.3 | 164 | 162.9 | 67.8 | 0 | 0 | 0 | 0 | 110.7 | Q62 V63 L64 | S60-Q62 PolarHBondContact O-N 2.86Å; S60-V63 PolarHBondContact O-N 2.96Å; S60-V63 PolarHBondContact OG-N 3.49Å; S60-L64 PolarHBondContact O-N 2.86Å | ||
| 61 | C | 94.6 | Very high | 91.5 | Very high | 18 Ų | 18 | 57.1 Ų | 57.1 | 12% | 0.122 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.6 | -33.4 | 175 | -55.3 | 0 | 0 | 0 | 0 | 112.5 | L36 L39 L64 A65 | L36-C61 HydrophobicContact CB-CB 4.41Å; L36-C61 HydrophobicContact CD2-CB 4.11Å; L36-C61 VanDerWaalsContact O-CB 3.22Å; L36-C61 WeakPolarHBondContact O-CB 3.25Å; L36-C61 PolarHBondContact O-SG 2.95Å; L39-C61 HydrophobicContact CB-CB 3.91Å; C61-L64 PolarHBondContact O-N 3.41Å; C61-A65 WeakPolarHBondContact O-CB 3.31Å; C61-A65 PolarHBondContact O-N 3.31Å |
| 62 | Q | 94.6 | Very high | 91.6 | Very high | 135 Ų | 135 | 52.8 Ų | 52.8 | 63% | 0.631 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.6 | -39.6 | 174.1 | -68.3 | 174.7 | -25.5 | 0 | 0 | 112.3 | L36 S60 A66 | L36-Q62 HydrophobicContact CD1-CG 4.14Å; L36-Q62 HydrophobicContact CD2-CB 4.46Å; L36-Q62 HydrophobicContact CD2-CG 4.02Å; S60-Q62 PolarHBondContact O-N 2.86Å; Q62-A66 VanDerWaalsContact O-CB 3.32Å; Q62-A66 WeakPolarHBondContact O-CB 3.3Å; Q62-A66 PolarHBondContact O-N 2.87Å |
| 63 | V | 93.8 | Very high | 91.6 | Very high | 66 Ų | 66 | 47.1 Ų | 47.1 | 40% | 0.4 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69 | -40.4 | 174.8 | 176.6 | 0 | 0 | 0 | 0 | 110.5 | P59 S60 A66 V67 | P59-V63 HydrophobicContact CB-CB 3.96Å; P59-V63 HydrophobicContact CB-CG1 3.88Å; S60-V63 PolarHBondContact O-N 2.96Å; S60-V63 PolarHBondContact OG-N 3.49Å; V63-A66 PolarHBondContact O-N 3.36Å; V63-V67 HydrophobicContact CG1-CG2 4.36Å; V63-V67 WeakPolarHBondContact O-CB 3.38Å; V63-V67 VanDerWaalsContact O-CG2 3.28Å; V63-V67 WeakPolarHBondContact O-CG2 3.45Å; V63-V67 PolarHBondContact O-N 3.42Å |
| 64 | L | 94.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 175.5 | -64.7 | -174.3 | 0 | 0 | 0 | 112.2 | L39 R43 P59 S60 C61 V67 T68 L109 Y113 | L39-L64 HydrophobicContact CD2-CB 4.4Å; R43-L64 HydrophobicContact CB-CD1 3.74Å; R43-L64 HydrophobicContact CG-CD1 4.03Å; P59-L64 HydrophobicContact CB-CD2 3.79Å; P59-L64 HydrophobicContact CB-CG 4.12Å; P59-L64 HydrophobicContact CG-CD2 3.48Å; P59-L64 VanDerWaalsContact CG-CD2 3.48Å; P59-L64 HydrophobicContact CG-CG 4.05Å; S60-L64 PolarHBondContact O-N 2.86Å; C61-L64 PolarHBondContact O-N 3.41Å; L64-V67 PolarHBondContact O-N 3.48Å; L64-T68 WeakPolarHBondContact O-CB 3.44Å; L64-T68 PolarHBondContact O-N 3.41Å; L64-T68 PolarHBondContact O-OG1 2.77Å; L64-L109 HydrophobicContact CB-CD1 4.22Å; L64-L109 HydrophobicContact CD2-CD1 4.26Å; L64-Y113 HydrophobicContact CD2-CE2 3.93Å |
| 65 | A | 94.6 | Very high | 91.8 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 3% | 0.025 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.3 | -48.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | W30 L36 L39 C61 V67 T68 L69 | W30-A65 HydrophobicContact CB-CB 4.4Å; W30-A65 VanDerWaalsContact O-CB 3.32Å; W30-A65 WeakPolarHBondContact O-CB 3.35Å; L36-A65 HydrophobicContact CD2-CB 3.91Å; L39-A65 HydrophobicContact CD1-CB 3.81Å; C61-A65 WeakPolarHBondContact O-CB 3.31Å; C61-A65 PolarHBondContact O-N 3.31Å; A65-V67 VanDerWaalsContact C-N 3.33Å; A65-V67 PolarHBondContact O-N 2.9Å; A65-T68 PolarHBondContact O-N 3.26Å; A65-T68 VanDerWaalsContact O-N 3.17Å; A65-L69 WeakPolarHBondContact O-CG 3.17Å; A65-L69 PolarHBondContact O-N 2.82Å |
| 66 | A | 94 | Very high | 92.2 | Very high | 43 Ų | 43 | 40.1 Ų | 40.1 | 36% | 0.355 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.8 | -32.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q62 V63 Q70 | Q62-A66 VanDerWaalsContact O-CB 3.32Å; Q62-A66 WeakPolarHBondContact O-CB 3.3Å; Q62-A66 PolarHBondContact O-N 2.87Å; V63-A66 PolarHBondContact O-N 3.36Å; A66-Q70 WeakPolarHBondContact O-CG 3.42Å; A66-Q70 PolarHBondContact O-N 3.49Å; A66-Q70 PolarHBondContact O-NE2 2.84Å |
| 67 | V | 94.5 | Very high | 92.7 | Very high | 6 Ų | 6 | 37.7 Ų | 37.7 | 4% | 0.036 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -72.7 | -39.9 | 172.3 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | V63 L64 A65 Q70 L71 L109 F124 | V63-V67 HydrophobicContact CG1-CG2 4.36Å; V63-V67 WeakPolarHBondContact O-CB 3.38Å; V63-V67 VanDerWaalsContact O-CG2 3.28Å; V63-V67 WeakPolarHBondContact O-CG2 3.45Å; V63-V67 PolarHBondContact O-N 3.42Å; L64-V67 PolarHBondContact O-N 3.48Å; A65-V67 VanDerWaalsContact C-N 3.33Å; A65-V67 PolarHBondContact O-N 2.9Å; V67-Q70 PolarHBondContact O-N 3.26Å; V67-L71 HydrophobicContact CG1-CD1 4Å; V67-L71 HydrophobicContact CG1-CG 4.41Å; V67-L71 WeakPolarHBondContact O-CG 3.34Å; V67-L71 PolarHBondContact O-N 3.31Å; V67-L109 HydrophobicContact CB-CD2 4.41Å; V67-L109 HydrophobicContact CG1-CD2 3.82Å; V67-F124 HydrophobicContact CB-CD2 4.38Å; V67-F124 HydrophobicContact CG1-CD2 3.92Å; V67-F124 HydrophobicContact CG1-CE2 3.9Å; V67-F124 HydrophobicContact CG1-CG 4.27Å; V67-F124 HydrophobicContact CG1-CZ 4.23Å; V67-F124 HydrophobicContact CG2-CD2 3.44Å; V67-F124 VanDerWaalsContact CG2-CD2 3.44Å; V67-F124 HydrophobicContact CG2-CE2 3.86Å; V67-F124 HydrophobicContact CG2-CG 4.22Å |
| 68 | T | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.7 | -43.3 | 176.8 | -53.1 | 0 | 0 | 0 | 0 | 111.5 | W30 L64 A65 Q70 L71 L72 F96 L105 | W30-T68 HydrophobicContact CD2-CG2 4.2Å; W30-T68 HydrophobicContact CE3-CG2 4.23Å; W30-T68 HydrophobicContact CH2-CG2 3.69Å; W30-T68 HydrophobicContact CZ2-CG2 3.61Å; W30-T68 HydrophobicContact CZ3-CG2 3.99Å; L64-T68 WeakPolarHBondContact O-CB 3.44Å; L64-T68 PolarHBondContact O-N 3.41Å; L64-T68 PolarHBondContact O-OG1 2.77Å; A65-T68 PolarHBondContact O-N 3.26Å; A65-T68 VanDerWaalsContact O-N 3.17Å; T68-Q70 PolarHBondContact O-N 2.87Å; T68-L71 PolarHBondContact O-N 3.32Å; T68-L72 HydrophobicContact CG2-CD1 4.18Å; T68-L72 WeakPolarHBondContact O-CG 3.32Å; T68-L72 PolarHBondContact O-N 3.48Å; T68-F96 HydrophobicContact CG2-CD1 4.1Å; T68-L105 HydrophobicContact CG2-CD1 3.72Å |
| 69 | L | 93.7 | Very high | 93.5 | Very high | 27 Ų | 27 | 31.4 Ų | 31.4 | 14% | 0.141 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.4 | -43.7 | 172.3 | -75.4 | 173.2 | 0 | 0 | 0 | 112.7 | P25 A27 W30 A65 L72 Q73 | P25-L69 HydrophobicContact CB-CD2 3.92Å; P25-L69 HydrophobicContact CG-CD2 4.32Å; A27-L69 HydrophobicContact CB-CD1 4.33Å; W30-L69 HydrophobicContact CB-CD1 3.95Å; W30-L69 HydrophobicContact CB-CD2 3.88Å; W30-L69 HydrophobicContact CB-CG 3.78Å; W30-L69 HydrophobicContact CG-CD2 3.81Å; W30-L69 HydrophobicContact CG-CG 3.98Å; A65-L69 WeakPolarHBondContact O-CG 3.17Å; A65-L69 PolarHBondContact O-N 2.82Å; L69-L72 PolarHBondContact O-N 2.94Å; L69-Q73 WeakPolarHBondContact O-CB 3.37Å; L69-Q73 PolarHBondContact O-N 2.98Å |
| 70 | Q | 94.5 | Very high | 93.4 | Very high | 64 Ų | 64 | 31 Ų | 31 | 30% | 0.299 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -65.5 | -37.9 | 176.7 | -76.1 | 168.4 | 78.9 | 0 | 0 | 112.4 | A66 V67 T68 F74 L126 | A66-Q70 WeakPolarHBondContact O-CG 3.42Å; A66-Q70 PolarHBondContact O-N 3.49Å; A66-Q70 PolarHBondContact O-NE2 2.84Å; V67-Q70 PolarHBondContact O-N 3.26Å; T68-Q70 PolarHBondContact O-N 2.87Å; Q70-F74 WeakPolarHBondContact O-CB 3.43Å; Q70-F74 PolarHBondContact O-N 3.2Å; Q70-L126 HydrophobicContact CB-CD1 4.04Å |
| 71 | L | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.9 | -48.4 | 175.8 | -73.5 | 165.8 | 0 | 0 | 0 | 110.8 | V67 T68 Q73 F74 Q75 F96 I108 L109 L126 M138 F139 | V67-L71 HydrophobicContact CG1-CD1 4Å; V67-L71 HydrophobicContact CG1-CG 4.41Å; V67-L71 WeakPolarHBondContact O-CG 3.34Å; V67-L71 PolarHBondContact O-N 3.31Å; T68-L71 PolarHBondContact O-N 3.32Å; L71-Q73 PolarHBondContact O-N 3.31Å; L71-F74 PolarHBondContact O-N 2.92Å; L71-Q75 WeakPolarHBondContact O-CB 3.42Å; L71-Q75 PolarHBondContact O-N 3.02Å; L71-F96 HydrophobicContact CB-CE1 4.08Å; L71-I108 HydrophobicContact CD1-CG2 3.94Å; L71-L109 HydrophobicContact CD1-CD2 3.9Å; L71-L126 HydrophobicContact CD2-CD1 3.75Å; L71-L126 HydrophobicContact CG-CD1 4.08Å; L71-M138 HydrophobicContact CD2-CE 3.55Å; L71-F139 HydrophobicContact CB-CZ 4.16Å; L71-F139 HydrophobicContact CD2-CE2 3.63Å; L71-F139 HydrophobicContact CD2-CZ 3.78Å; L71-F139 WeakPolarHBondContact O-CZ 3.48Å |
| 72 | L | 93.4 | Very high | 92.8 | Very high | 29 Ų | 29 | 41 Ų | 41 | 15% | 0.152 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.8 | -41.7 | 177.7 | -73 | 167.8 | 0 | 0 | 0 | 112.3 | P25 W30 T68 L69 Q75 E76 F96 | P25-L72 HydrophobicContact CB-CB 3.74Å; P25-L72 HydrophobicContact CB-CD1 3.97Å; P25-L72 HydrophobicContact CB-CG 4.49Å; P25-L72 HydrophobicContact CG-CB 3.96Å; W30-L72 HydrophobicContact CZ2-CD1 4.33Å; T68-L72 HydrophobicContact CG2-CD1 4.18Å; T68-L72 WeakPolarHBondContact O-CG 3.32Å; T68-L72 PolarHBondContact O-N 3.48Å; L69-L72 PolarHBondContact O-N 2.94Å; L72-Q75 PolarHBondContact O-N 2.99Å; L72-E76 PolarHBondContact O-N 3.3Å; L72-F96 HydrophobicContact CD2-CB 4.13Å; L72-F96 HydrophobicContact CD2-CD1 3.85Å; L72-F96 HydrophobicContact CD2-CD2 3.61Å; L72-F96 HydrophobicContact CD2-CE1 4.06Å; L72-F96 HydrophobicContact CD2-CE2 3.83Å; L72-F96 HydrophobicContact CD2-CG 3.61Å; L72-F96 HydrophobicContact CD2-CZ 4.05Å; L72-F96 HydrophobicContact CG-CD1 4.01Å; L72-F96 HydrophobicContact CG-CE1 4.2Å; L72-F96 HydrophobicContact CG-CG 4.22Å |
| 73 | Q | 92.4 | Very high | 92.5 | Very high | 57 Ų | 57 | 35.2 Ų | 35.2 | 27% | 0.266 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64.9 | -47.3 | 175.8 | -171.4 | 65.8 | 57.8 | 0 | 0 | 111.4 | P25 L69 L71 Q75 E76 D77 | P25-Q73 HydrophobicContact CG-CB 4.36Å; L69-Q73 WeakPolarHBondContact O-CB 3.37Å; L69-Q73 PolarHBondContact O-N 2.98Å; L71-Q73 PolarHBondContact O-N 3.31Å; Q73-Q75 PolarHBondContact O-N 3.43Å; Q73-E76 PolarHBondContact O-N 2.98Å; Q73-D77 PolarHBondContact NE2-OD1 3.03Å; Q73-D77 WeakPolarHBondContact O-CB 3.43Å; Q73-D77 PolarHBondContact O-N 3.36Å |
| 74 | F | 93.8 | Very high | 91.8 | Very high | 11 Ų | 11 | 38 Ų | 38 | 5% | 0.048 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.6 | -35.3 | 177 | -178.3 | -91.9 | 0 | 0 | 0 | 112 | Q70 L71 D77 A78 F79 L126 T132 N135 V136 F139 | Q70-F74 WeakPolarHBondContact O-CB 3.43Å; Q70-F74 PolarHBondContact O-N 3.2Å; L71-F74 PolarHBondContact O-N 2.92Å; F74-D77 PolarHBondContact O-N 2.97Å; F74-A78 HydrophobicContact CD1-CB 4.35Å; F74-A78 HydrophobicContact CE1-CB 3.91Å; F74-A78 HydrophobicContact CE2-CB 4.28Å; F74-A78 HydrophobicContact CZ-CB 3.86Å; F74-A78 WeakPolarHBondContact O-CB 3.37Å; F74-A78 PolarHBondContact O-N 2.87Å; F74-F79 HydrophobicContact CE1-CE2 4.25Å; F74-F79 HydrophobicContact CE1-CZ 4.28Å; F74-L126 HydrophobicContact CB-CB 4.06Å; F74-L126 HydrophobicContact CB-CD1 4.16Å; F74-L126 HydrophobicContact CD2-CB 4.11Å; F74-L126 WeakPolarHBondContact CD2-O 3.37Å; F74-L126 HydrophobicContact CG-CB 4.24Å; F74-T132 HydrophobicContact CE2-CG2 4.18Å; F74-T132 HydrophobicContact CZ-CG2 4.12Å; F74-N135 HydrophobicContact CD1-CB 4.36Å; F74-N135 HydrophobicContact CD2-CB 4.39Å; F74-N135 HydrophobicContact CE1-CB 3.67Å; F74-N135 HydrophobicContact CE2-CB 3.69Å; F74-N135 HydrophobicContact CZ-CB 3.29Å; F74-V136 HydrophobicContact CE1-CG2 4.44Å; F74-V136 HydrophobicContact CZ-CG2 4.21Å; F74-F139 AromaticContact CD1-CD2 3.99Å; F74-F139 HydrophobicContact CD1-CD2 3.99Å; F74-F139 AromaticContact CD1-CE2 3.58Å; F74-F139 HydrophobicContact CD1-CE2 3.58Å; F74-F139 HydrophobicContact CD1-CZ 4.25Å; F74-F139 HydrophobicContact CE1-CD2 4.14Å; F74-F139 HydrophobicContact CE1-CE2 4.2Å |
| 75 | Q | 93.6 | Very high | 91.3 | Very high | 5 Ų | 5 | 45.3 Ų | 45.3 | 2% | 0.023 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63 | -43.2 | 175.3 | 173.2 | 160.3 | -74.4 | 0 | 0 | 112.4 | L71 L72 Q73 F79 G80 K90 L91 F139 | L71-Q75 WeakPolarHBondContact O-CB 3.42Å; L71-Q75 PolarHBondContact O-N 3.02Å; L72-Q75 PolarHBondContact O-N 2.99Å; Q73-Q75 PolarHBondContact O-N 3.43Å; Q75-F79 HydrophobicContact CB-CD2 4.44Å; Q75-F79 HydrophobicContact CG-CD2 4.23Å; Q75-F79 CarbonylContact O-C 3.52Å; Q75-F79 VanDerWaalsContact O-CA 3.26Å; Q75-F79 WeakPolarHBondContact O-CA 3.31Å; Q75-F79 VanDerWaalsContact O-CB 3.26Å; Q75-F79 WeakPolarHBondContact O-CB 3.36Å; Q75-F79 PolarHBondContact O-N 2.9Å; Q75-G80 PolarHBondContact O-N 3.02Å; Q75-K90 HydrophobicContact CG-CB 4.1Å; Q75-K90 HydrophobicContact CG-CD 4.44Å; Q75-K90 HydrophobicContact CG-CG 3.8Å; Q75-L91 PolarHBondContact NE2-O 3.36Å; Q75-F139 HydrophobicContact CB-CE1 3.99Å; Q75-F139 HydrophobicContact CB-CZ 4.2Å |
| 76 | E | 91.1 | Very high | 91 | Very high | 15 Ų | 15 | 46.9 Ų | 46.9 | 7% | 0.07 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -74 | -37.7 | 175.9 | -174.1 | 70.8 | 164.6 | 0 | 0 | 111.8 | S23 L72 Q73 A78 G80 K90 | S23-E76 WeakPolarHBondContact CB-OE1 3.36Å; S23-E76 PolarHBondContact N-OE1 2.8Å; S23-E76 VanDerWaalsContact OG-CD 3.31Å; S23-E76 PolarHBondContact OG-OE2 2.82Å; L72-E76 PolarHBondContact O-N 3.3Å; Q73-E76 PolarHBondContact O-N 2.98Å; E76-A78 PolarHBondContact O-N 3.3Å; E76-G80 WeakPolarHBondContact O-CA 3.21Å; E76-G80 PolarHBondContact O-N 2.93Å; E76-G80 WeakPolarHBondContact OE2-CA 3.34Å; E76-K90 IonicContact OE2-NZ 3.98Å; E76-K90 PolarHBondContact OE2-NZ 3.36Å |
| 77 | D | 90.9 | Very high | 90.7 | Very high | 92 Ų | 92 | 48.3 Ų | 48.3 | 49% | 0.492 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65 | -36.9 | 178.3 | -66.3 | -9 | 0 | 0 | 0 | 112.8 | Q73 F74 | Q73-D77 PolarHBondContact NE2-OD1 3.03Å; Q73-D77 WeakPolarHBondContact O-CB 3.43Å; Q73-D77 PolarHBondContact O-N 3.36Å; F74-D77 PolarHBondContact O-N 2.97Å |
| 78 | A | 91.5 | Very high | 90.6 | Very high | 22 Ų | 22 | 49.4 Ų | 49.4 | 18% | 0.182 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -104.6 | -25.7 | -174 | 0 | 0 | 0 | 0 | 0 | 114.6 | F74 E76 A83 | F74-A78 HydrophobicContact CD1-CB 4.35Å; F74-A78 HydrophobicContact CE1-CB 3.91Å; F74-A78 HydrophobicContact CE2-CB 4.28Å; F74-A78 HydrophobicContact CZ-CB 3.86Å; F74-A78 WeakPolarHBondContact O-CB 3.37Å; F74-A78 PolarHBondContact O-N 2.87Å; E76-A78 PolarHBondContact O-N 3.3Å; A78-A83 WeakPolarHBondContact O-CB 3.39Å |
| 79 | F | 92.8 | Very high | 90.4 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.009 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -128.5 | -0.2 | -176.5 | -44.1 | -53.8 | 0 | 0 | 0 | 113.7 | F74 Q75 A87 L88 K90 V136 F139 N264 | F74-F79 HydrophobicContact CE1-CE2 4.25Å; F74-F79 HydrophobicContact CE1-CZ 4.28Å; Q75-F79 HydrophobicContact CB-CD2 4.44Å; Q75-F79 HydrophobicContact CG-CD2 4.23Å; Q75-F79 CarbonylContact O-C 3.52Å; Q75-F79 VanDerWaalsContact O-CA 3.26Å; Q75-F79 WeakPolarHBondContact O-CA 3.31Å; Q75-F79 VanDerWaalsContact O-CB 3.26Å; Q75-F79 WeakPolarHBondContact O-CB 3.36Å; Q75-F79 PolarHBondContact O-N 2.9Å; F79-A87 HydrophobicContact CE1-CB 4.49Å; F79-L88 HydrophobicContact CD1-CB 4Å; F79-L88 WeakPolarHBondContact CD1-O 3.48Å; F79-L88 HydrophobicContact CE1-CB 3.79Å; F79-L88 HydrophobicContact CE1-CD1 4.24Å; F79-L88 HydrophobicContact CE1-CG 4.16Å; F79-L88 HydrophobicContact CE2-CD1 4.48Å; F79-L88 HydrophobicContact CG-CB 4.49Å; F79-L88 HydrophobicContact CZ-CB 4.09Å; F79-L88 HydrophobicContact CZ-CD1 3.86Å; F79-L88 HydrophobicContact CZ-CG 4.28Å; F79-K90 HydrophobicContact CB-CG 3.84Å; F79-K90 WeakPolarHBondContact O-CG 3.23Å; F79-V136 HydrophobicContact CE1-CG1 4.16Å; F79-V136 HydrophobicContact CE1-CG2 3.92Å; F79-V136 HydrophobicContact CZ-CB 4.28Å; F79-V136 HydrophobicContact CZ-CG1 4.14Å; F79-V136 HydrophobicContact CZ-CG2 3.83Å; F79-F139 HydrophobicContact CE2-CB 3.97Å; F79-F139 AromaticContact CE2-CD1 3.88Å; F79-F139 HydrophobicContact CE2-CD1 3.88Å; F79-F139 HydrophobicContact CE2-CD2 4.32Å; F79-F139 HydrophobicContact CE2-CE1 4.47Å; F79-F139 AromaticContact CE2-CG 3.79Å; F79-F139 HydrophobicContact CE2-CG 3.79Å; F79-F139 HydrophobicContact CZ-CB 4.22Å; F79-F139 HydrophobicContact CZ-CG 4.45Å; F79-N264 PolarHBondContact O-ND2 3.39Å |
| 80 | G | 89.1 | Confident | 90.4 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -69.5 | 170.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q75 E76 Q82 A83 | Q75-G80 PolarHBondContact O-N 3.02Å; E76-G80 WeakPolarHBondContact O-CA 3.21Å; E76-G80 PolarHBondContact O-N 2.93Å; E76-G80 WeakPolarHBondContact OE2-CA 3.34Å; G80-Q82 PolarHBondContact O-N 3.37Å; G80-A83 VanDerWaalsContact O-CB 3.24Å; G80-A83 WeakPolarHBondContact O-CB 3.48Å; G80-A83 PolarHBondContact O-N 3.18Å |
| 81 | R | 88.4 | Confident | 90.3 | Very high | 129 Ų | 129 | 46.5 Ų | 46.5 | 49% | 0.487 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -20.9 | 177.4 | 177.3 | 164.7 | -178.7 | -168.3 | 4.2 | 114.4 | V262 F263 | R81-V262 WeakPolarHBondContact CG-O 3.39Å; R81-F263 VanDerWaalsContact NH1-CE1 3.3Å |
| 82 | Q | 86.9 | Confident | 90.1 | Very high | 152 Ų | 152 | 47.6 Ų | 47.6 | 71% | 0.71 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | -2.2 | 178.5 | -59.2 | -176.6 | 48.4 | 0 | 0 | 113.3 | G80 | G80-Q82 PolarHBondContact O-N 3.37Š|
| 83 | A | 87.4 | Confident | 89.9 | Confident | 14 Ų | 14 | 46.7 Ų | 46.7 | 12% | 0.116 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -74 | 133 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A78 G80 N85 | A78-A83 WeakPolarHBondContact O-CB 3.39Å; G80-A83 VanDerWaalsContact O-CB 3.24Å; G80-A83 WeakPolarHBondContact O-CB 3.48Å; G80-A83 PolarHBondContact O-N 3.18Å; A83-N85 PolarHBondContact O-N 2.92Å; A83-N85 VanDerWaalsContact O-N 3.09Å |
| 84 | P | 79.8 | Confident | 89.6 | Confident | 125 Ų | 125 | 48.6 Ų | 48.6 | 81% | 0.812 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -75.8 | 101.7 | -179.4 | 30 | -33.8 | 0 | 0 | 0 | 111.2 | ||
| 85 | N | 84.4 | Confident | 89.5 | Confident | 153 Ų | 153 | 48.2 Ų | 48.2 | 82% | 0.818 | 27% | 0.266 | S | S | * | . | S | Bend | trans | 60.2 | 74.3 | 179.9 | -172.6 | 65.7 | 0 | 0 | 0 | 113.1 | A83 A87 | A83-N85 PolarHBondContact O-N 2.92Å; A83-N85 VanDerWaalsContact O-N 3.09Å; N85-A87 PolarHBondContact O-N 3.25Å |
| 86 | P | 88.7 | Confident | 89.5 | Confident | 37 Ų | 37 | 48 Ų | 48 | 24% | 0.24 | 27% | 0.266 | C | S | . | . | trans | -64.9 | 131.8 | -174.2 | 28.6 | -36.4 | 0 | 0 | 0 | 111.9 | N264 | P86-N264 WeakPolarHBondContact CB-ND2 3.35Å; P86-N264 HydrophobicContact CG-CB 4.35Å | ||
| 87 | A | 87.1 | Confident | 89.4 | Confident | 72 Ų | 72 | 50.4 Ų | 50.4 | 60% | 0.595 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -82.5 | -14.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | F79 N85 V136 | F79-A87 HydrophobicContact CE1-CB 4.49Å; N85-A87 PolarHBondContact O-N 3.25Å; A87-V136 HydrophobicContact CB-CG1 4.02Å |
| 88 | L | 91.6 | Very high | 89.4 | Confident | 29 Ų | 29 | 48.7 Ų | 48.7 | 15% | 0.152 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -142.9 | 155.3 | 176.9 | -65.2 | 173.8 | 0 | 0 | 0 | 109 | F79 V136 F139 N264 | F79-L88 HydrophobicContact CD1-CB 4Å; F79-L88 WeakPolarHBondContact CD1-O 3.48Å; F79-L88 HydrophobicContact CE1-CB 3.79Å; F79-L88 HydrophobicContact CE1-CD1 4.24Å; F79-L88 HydrophobicContact CE1-CG 4.16Å; F79-L88 HydrophobicContact CE2-CD1 4.48Å; F79-L88 HydrophobicContact CG-CB 4.49Å; F79-L88 HydrophobicContact CZ-CB 4.09Å; F79-L88 HydrophobicContact CZ-CD1 3.86Å; F79-L88 HydrophobicContact CZ-CG 4.28Å; L88-V136 HydrophobicContact CD1-CG1 4.01Å; L88-V136 HydrophobicContact CG-CG1 4.24Å; L88-F139 HydrophobicContact CD1-CB 3.89Å; L88-N264 PolarHBondContact O-ND2 3.46Å |
| 89 | T | 92.6 | Very high | 89.5 | Confident | 14 Ų | 14 | 48.8 Ų | 48.8 | 9% | 0.086 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 147.9 | 162 | -47.6 | 0 | 0 | 0 | 0 | 109.4 | H178 N264 | T89-H178 HydrophobicContact CG2-CB 4.5Å; T89-H178 WeakPolarHBondContact CG2-ND1 3.49Å; T89-H178 PolarHBondContact OG1-ND1 3.18Å; T89-N264 WeakPolarHBondContact CG2-O 3.27Å |
| 90 | K | 93.4 | Very high | 89.4 | Confident | 7 Ų | 7 | 54.9 Ų | 54.9 | 3% | 0.03 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 141.3 | 174 | -69.6 | 174.4 | 64.1 | 177.3 | 0 | 110.8 | S23 Q75 E76 F79 S226 N264 E265 | S23-K90 PolarHBondContact OG-NZ 3.34Å; Q75-K90 HydrophobicContact CG-CB 4.1Å; Q75-K90 HydrophobicContact CG-CD 4.44Å; Q75-K90 HydrophobicContact CG-CG 3.8Å; E76-K90 IonicContact OE2-NZ 3.98Å; E76-K90 PolarHBondContact OE2-NZ 3.36Å; F79-K90 HydrophobicContact CB-CG 3.84Å; F79-K90 WeakPolarHBondContact O-CG 3.23Å; K90-S226 PolarHBondContact NZ-OG 3.11Å; K90-N264 PolarHBondContact N-O 2.97Å; K90-E265 HydrophobicContact CB-CB 3.98Å; K90-E265 HydrophobicContact CB-CG 3.96Å; K90-E265 HydrophobicContact CD-CB 4.15Å; K90-E265 WeakPolarHBondContact CE-OE2 3.41Å; K90-E265 IonicContact NZ-OE2 2.74Å; K90-E265 PolarHBondContact NZ-OE2 2.9Å |
| 91 | L | 92.7 | Very high | 89.5 | Confident | 10 Ų | 10 | 58.9 Ų | 58.9 | 5% | 0.052 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 134.4 | 166.7 | -57.7 | 176.7 | 0 | 0 | 0 | 108.7 | Q75 A93 F96 F139 I142 E143 L146 | Q75-L91 PolarHBondContact NE2-O 3.36Å; L91-A93 PolarHBondContact O-N 2.86Å; L91-F96 HydrophobicContact CB-CE2 3.98Å; L91-F96 HydrophobicContact CD1-CZ 4.36Å; L91-F139 HydrophobicContact CD1-CD1 3.68Å; L91-F139 HydrophobicContact CD1-CE1 3.92Å; L91-F139 HydrophobicContact CG-CD1 4.12Å; L91-F139 HydrophobicContact CG-CE1 4.48Å; L91-I142 HydrophobicContact CD1-CB 4.36Å; L91-I142 HydrophobicContact CD1-CG2 3.58Å; L91-E143 HydrophobicContact CD2-CB 3.87Å; L91-E143 HydrophobicContact CD2-CG 4.23Å; L91-L146 HydrophobicContact CD1-CD1 4.21Å; L91-L146 HydrophobicContact CD2-CD1 4.17Å |
| 92 | P | 90.8 | Very high | 89.5 | Confident | 22 Ų | 22 | 53.8 Ų | 53.8 | 14% | 0.143 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 136.7 | -174.4 | -26 | 34.1 | 0 | 0 | 0 | 113.3 | H94 C95 V152 | P92-H94 VanDerWaalsContact C-N 3.27Å; P92-H94 WeakPolarHBondContact CB-CE1 3.46Å; P92-H94 PolarHBondContact O-N 3Å; P92-C95 WeakPolarHBondContact O-CB 3.33Å; P92-C95 PolarHBondContact O-N 2.92Å; P92-V152 HydrophobicContact CG-CG2 4.34Å |
| 93 | A | 88.6 | Confident | 89.8 | Confident | 11 Ų | 11 | 46.9 Ų | 46.9 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.8 | -35.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L91 C95 F96 L97 D225 | L91-A93 PolarHBondContact O-N 2.86Å; A93-C95 PolarHBondContact O-N 2.94Å; A93-F96 PolarHBondContact O-N 3.49Å; A93-L97 PolarHBondContact O-N 3.11Å; A93-D225 HydrophobicContact CB-CB 3.85Å |
| 94 | H | 87.3 | Confident | 90.1 | Very high | 96 Ų | 96 | 46.2 Ų | 46.2 | 44% | 0.444 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.7 | -30.3 | 176.5 | 59.5 | -108.1 | 0 | 0 | 0 | 113.2 | P92 F96 L97 D98 D225 | P92-H94 VanDerWaalsContact C-N 3.27Å; P92-H94 WeakPolarHBondContact CB-CE1 3.46Å; P92-H94 PolarHBondContact O-N 3Å; H94-F96 PolarHBondContact O-N 3.02Å; H94-L97 PolarHBondContact O-N 3.44Å; H94-D98 PolarHBondContact O-N 2.88Å; H94-D225 IonicContact CG-OD2 3.35Å; H94-D225 IonicContact ND1-OD2 2.68Å; H94-D225 PolarHBondContact ND1-OD2 3.21Å; H94-D225 VanDerWaalsContact ND1-OD2 3.09Å |
| 95 | C | 91.9 | Very high | 90.9 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.02 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.8 | -25.4 | 175.3 | -74 | 0 | 0 | 0 | 0 | 113 | P92 A93 G104 L105 I108 C151 V152 | P92-C95 WeakPolarHBondContact O-CB 3.33Å; P92-C95 PolarHBondContact O-N 2.92Å; A93-C95 PolarHBondContact O-N 2.94Å; C95-G104 CarbonylContact O-C 3.58Å; C95-G104 WeakPolarHBondContact O-CA 3.47Å; C95-L105 PolarHBondContact O-N 3.19Å; C95-I108 HydrophobicContact CB-CD1 4.14Å; C95-I108 WeakPolarHBondContact O-CD1 3.19Å; C95-C151 PolarHBondContact SG-O 3.07Å; C95-V152 WeakPolarHBondContact SG-CG2 3.4Å |
| 96 | F | 93.1 | Very high | 91.4 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.009 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -81.9 | -27.1 | 171.5 | -69.6 | -90.6 | 0 | 0 | 0 | 112.5 | W30 T68 L71 L72 L91 A93 H94 L105 I108 F139 | W30-F96 VanDerWaalsContact CH2-O 3.28Å; W30-F96 WeakPolarHBondContact CH2-O 3.34Å; T68-F96 HydrophobicContact CG2-CD1 4.1Å; L71-F96 HydrophobicContact CB-CE1 4.08Å; L72-F96 HydrophobicContact CD2-CB 4.13Å; L72-F96 HydrophobicContact CD2-CD1 3.85Å; L72-F96 HydrophobicContact CD2-CD2 3.61Å; L72-F96 HydrophobicContact CD2-CE1 4.06Å; L72-F96 HydrophobicContact CD2-CE2 3.83Å; L72-F96 HydrophobicContact CD2-CG 3.61Å; L72-F96 HydrophobicContact CD2-CZ 4.05Å; L72-F96 HydrophobicContact CG-CD1 4.01Å; L72-F96 HydrophobicContact CG-CE1 4.2Å; L72-F96 HydrophobicContact CG-CG 4.22Å; L91-F96 HydrophobicContact CB-CE2 3.98Å; L91-F96 HydrophobicContact CD1-CZ 4.36Å; A93-F96 PolarHBondContact O-N 3.49Å; H94-F96 PolarHBondContact O-N 3.02Å; F96-L105 HydrophobicContact CD1-CD1 4.12Å; F96-I108 HydrophobicContact CD1-CD1 3.86Å; F96-I108 HydrophobicContact CD1-CG2 4.38Å; F96-I108 HydrophobicContact CD2-CD1 4.2Å; F96-I108 HydrophobicContact CE1-CD1 3.99Å; F96-I108 HydrophobicContact CE1-CG2 3.93Å; F96-I108 HydrophobicContact CE2-CD1 4.32Å; F96-I108 HydrophobicContact CG-CD1 3.99Å; F96-I108 HydrophobicContact CZ-CD1 4.22Å; F96-F139 HydrophobicContact CZ-CE1 4.43Å |
| 97 | L | 89.3 | Confident | 91.8 | Very high | 64 Ų | 64 | 31.8 Ų | 31.8 | 34% | 0.335 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -84.8 | -16.1 | 179.8 | -62.5 | 176.4 | 0 | 0 | 0 | 113.1 | F29 W30 A93 H94 L99 L217 | F29-L97 HydrophobicContact CE1-CD2 3.78Å; F29-L97 HydrophobicContact CZ-CD2 4.18Å; W30-L97 HydrophobicContact CZ2-CD2 4.16Å; A93-L97 PolarHBondContact O-N 3.11Å; H94-L97 PolarHBondContact O-N 3.44Å; L97-L99 PolarHBondContact O-N 2.71Å; L97-L217 HydrophobicContact CD1-CD2 4.39Å |
| 98 | D | 91.1 | Very high | 92.3 | Very high | 57 Ų | 57 | 28.4 Ų | 28.4 | 31% | 0.305 | 16% | 0.158 | S | C | . | . | trans | -71.7 | 96.1 | 174.1 | -178.3 | 9.6 | 0 | 0 | 0 | 112.2 | H94 Q100 G103 G104 L105 | H94-D98 PolarHBondContact O-N 2.88Å; D98-Q100 VanDerWaalsContact OD1-CB 3.29Å; D98-Q100 WeakPolarHBondContact OD1-CB 3.4Å; D98-Q100 WeakPolarHBondContact OD1-CG 3.28Å; D98-Q100 PolarHBondContact OD1-N 3.01Å; D98-Q100 VanDerWaalsContact OD1-N 3.07Å; D98-G103 VanDerWaalsContact CG-CA 3.47Å; D98-G103 WeakPolarHBondContact OD2-CA 3.42Å; D98-G104 PolarHBondContact OD2-N 2.88Å; D98-L105 VanDerWaalsContact O-CB 3.23Å; D98-L105 WeakPolarHBondContact O-CB 3.27Å; D98-L105 PolarHBondContact O-N 3.32Å | ||
| 99 | L | 92.1 | Very high | 92.5 | Very high | 24 Ų | 24 | 27 Ų | 27 | 13% | 0.126 | 15% | 0.151 | C | C | . | . | trans | -90 | 6.1 | -179.8 | -67.8 | 161 | 0 | 0 | 0 | 113.3 | W30 Q38 L39 V42 L97 L105 | W30-L99 HydrophobicContact CZ3-CD2 4.43Å; Q38-L99 HydrophobicContact CB-CD1 3.96Å; L39-L99 HydrophobicContact CD2-CD2 3.71Å; L39-L99 HydrophobicContact CG-CD2 3.99Å; V42-L99 HydrophobicContact CG2-CB 4.39Å; V42-L99 HydrophobicContact CG2-CD2 3.98Å; V42-L99 WeakPolarHBondContact CG2-O 3.34Å; L97-L99 PolarHBondContact O-N 2.71Å; L99-L105 HydrophobicContact CD2-CD2 3.66Å | ||
| 100 | Q | 91.9 | Very high | 92.6 | Very high | 129 Ų | 129 | 26.4 Ų | 26.4 | 60% | 0.603 | 15% | 0.147 | S | C | * | . | S | Bend | trans | -71.5 | 160.1 | -175.4 | -63.7 | -62.5 | -17 | 0 | 0 | 112.9 | D98 G102 G103 C106 | D98-Q100 VanDerWaalsContact OD1-CB 3.29Å; D98-Q100 WeakPolarHBondContact OD1-CB 3.4Å; D98-Q100 WeakPolarHBondContact OD1-CG 3.28Å; D98-Q100 PolarHBondContact OD1-N 3.01Å; D98-Q100 VanDerWaalsContact OD1-N 3.07Å; Q100-G102 PolarHBondContact O-N 3.29Å; Q100-G103 PolarHBondContact O-N 3.36Å; Q100-C106 PolarHBondContact O-SG 2.88Å |
| 101 | P | 89.7 | Confident | 92.7 | Very high | 86 Ų | 86 | 26.3 Ų | 26.3 | 56% | 0.558 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | 104.5 | 176.9 | -10.5 | 22.5 | 0 | 0 | 0 | 111.3 | V41 | V41-P101 HydrophobicContact CG1-CB 4.16Å; V41-P101 HydrophobicContact CG1-CG 3.64Å |
| 102 | G | 89.8 | Confident | 92.9 | Very high | 23 Ų | 23 | 25.9 Ų | 25.9 | 24% | 0.237 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | 11.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | W45 Q100 H107 | W45-G102 VanDerWaalsContact CD1-N 3.34Å; W45-G102 VanDerWaalsContact CE2-CA 3.47Å; Q100-G102 PolarHBondContact O-N 3.29Å; G102-H107 PolarHBondContact O-CD2 2.9Å; G102-H107 VanDerWaalsContact O-CD2 3.27Å; G102-H107 PolarHBondContact O-NE2 3.22Å |
| 103 | G | 92.8 | Very high | 93.1 | Very high | 6 Ų | 6 | 25 Ų | 25 | 6% | 0.062 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -70.3 | 177.9 | 172 | 0 | 0 | 0 | 0 | 0 | 114.1 | D98 Q100 L105 C106 H107 | D98-G103 VanDerWaalsContact CG-CA 3.47Å; D98-G103 WeakPolarHBondContact OD2-CA 3.42Å; Q100-G103 PolarHBondContact O-N 3.36Å; G103-L105 VanDerWaalsContact C-N 3.32Å; G103-L105 PolarHBondContact O-N 2.96Å; G103-C106 VanDerWaalsContact O-CB 3.25Å; G103-C106 WeakPolarHBondContact O-CB 3.41Å; G103-C106 PolarHBondContact O-N 3.44Å; G103-H107 PolarHBondContact O-N 3.37Å |
| 104 | G | 94.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -49 | -47 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | C95 D98 C106 H107 I108 | C95-G104 CarbonylContact O-C 3.58Å; C95-G104 WeakPolarHBondContact O-CA 3.47Å; D98-G104 PolarHBondContact OD2-N 2.88Å; G104-C106 VanDerWaalsContact C-N 3.32Å; G104-C106 PolarHBondContact O-N 2.87Å; G104-H107 PolarHBondContact O-N 2.89Å; G104-I108 VanDerWaalsContact O-CG1 3.32Å; G104-I108 WeakPolarHBondContact O-CG1 3.43Å; G104-I108 PolarHBondContact O-N 2.92Å |
| 105 | L | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -69.5 | -31.1 | -177.3 | -168.8 | 68.3 | 0 | 0 | 0 | 112.4 | W30 L39 T68 C95 F96 D98 L99 G103 H107 I108 L109 | W30-L105 HydrophobicContact CH2-CD2 3.86Å; W30-L105 HydrophobicContact CZ3-CD2 3.98Å; L39-L105 HydrophobicContact CD2-CD2 3.72Å; T68-L105 HydrophobicContact CG2-CD1 3.72Å; C95-L105 PolarHBondContact O-N 3.19Å; F96-L105 HydrophobicContact CD1-CD1 4.12Å; D98-L105 VanDerWaalsContact O-CB 3.23Å; D98-L105 WeakPolarHBondContact O-CB 3.27Å; D98-L105 PolarHBondContact O-N 3.32Å; L99-L105 HydrophobicContact CD2-CD2 3.66Å; G103-L105 VanDerWaalsContact C-N 3.32Å; G103-L105 PolarHBondContact O-N 2.96Å; L105-H107 VanDerWaalsContact C-N 3.33Å; L105-H107 PolarHBondContact O-N 3.42Å; L105-I108 PolarHBondContact O-N 3Å; L105-L109 HydrophobicContact CD1-CD1 3.93Å; L105-L109 HydrophobicContact CD1-CG 3.96Å; L105-L109 HydrophobicContact CD2-CD1 4.04Å; L105-L109 HydrophobicContact CG-CD1 3.69Å; L105-L109 HydrophobicContact CG-CG 4.11Å; L105-L109 WeakPolarHBondContact O-CB 3.27Å; L105-L109 PolarHBondContact O-N 3.37Å |
| 106 | C | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.6 | -44.5 | 172.7 | -75 | 0 | 0 | 0 | 0 | 111.4 | W45 Q100 G103 G104 G110 | W45-C106 HydrophobicContact CD2-CB 3.94Å; W45-C106 HydrophobicContact CE3-CB 3.51Å; W45-C106 HydrophobicContact CH2-CB 4.29Å; W45-C106 HydrophobicContact CZ3-CB 3.7Å; Q100-C106 PolarHBondContact O-SG 2.88Å; G103-C106 VanDerWaalsContact O-CB 3.25Å; G103-C106 WeakPolarHBondContact O-CB 3.41Å; G103-C106 PolarHBondContact O-N 3.44Å; G104-C106 VanDerWaalsContact C-N 3.32Å; G104-C106 PolarHBondContact O-N 2.87Å; C106-G110 PolarHBondContact O-N 2.8Å |
| 107 | H | 96.1 | Very high | 94 | Very high | 13 Ų | 13 | 27.6 Ų | 27.6 | 6% | 0.06 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -75.5 | -37.1 | 179.1 | -75.7 | -81.4 | 0 | 0 | 0 | 113 | W45 G102 G103 G104 L105 T111 L146 N149 | W45-H107 AromaticContact CH2-CE1 3.6Å; W45-H107 AromaticContact CH2-NE2 3.59Å; W45-H107 AromaticContact CZ2-NE2 3.78Å; G102-H107 PolarHBondContact O-CD2 2.9Å; G102-H107 VanDerWaalsContact O-CD2 3.27Å; G102-H107 PolarHBondContact O-NE2 3.22Å; G103-H107 PolarHBondContact O-N 3.37Å; G104-H107 PolarHBondContact O-N 2.89Å; L105-H107 VanDerWaalsContact C-N 3.33Å; L105-H107 PolarHBondContact O-N 3.42Å; H107-T111 WeakPolarHBondContact O-CB 3.37Å; H107-T111 PolarHBondContact O-N 2.92Å; H107-T111 PolarHBondContact O-OG1 3.31Å; H107-L146 HydrophobicContact CB-CD2 4.17Å; H107-N149 PolarHBondContact CE1-OD1 3.29Å; H107-N149 PolarHBondContact ND1-ND2 3.33Å |
| 108 | I | 97.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.6 | -58.9 | 172.9 | -69.9 | 164.1 | 0 | 0 | 0 | 110.4 | L71 C95 F96 G104 L105 T111 A112 I142 L146 | L71-I108 HydrophobicContact CD1-CG2 3.94Å; C95-I108 HydrophobicContact CB-CD1 4.14Å; C95-I108 WeakPolarHBondContact O-CD1 3.19Å; F96-I108 HydrophobicContact CD1-CD1 3.86Å; F96-I108 HydrophobicContact CD1-CG2 4.38Å; F96-I108 HydrophobicContact CD2-CD1 4.2Å; F96-I108 HydrophobicContact CE1-CD1 3.99Å; F96-I108 HydrophobicContact CE1-CG2 3.93Å; F96-I108 HydrophobicContact CE2-CD1 4.32Å; F96-I108 HydrophobicContact CG-CD1 3.99Å; F96-I108 HydrophobicContact CZ-CD1 4.22Å; G104-I108 VanDerWaalsContact O-CG1 3.32Å; G104-I108 WeakPolarHBondContact O-CG1 3.43Å; G104-I108 PolarHBondContact O-N 2.92Å; L105-I108 PolarHBondContact O-N 3Å; I108-T111 PolarHBondContact O-N 3.38Å; I108-A112 WeakPolarHBondContact O-CB 3.46Å; I108-A112 PolarHBondContact O-N 3.06Å; I108-I142 HydrophobicContact CB-CG2 4.22Å; I108-I142 HydrophobicContact CG1-CG2 3.76Å; I108-I142 HydrophobicContact CG2-CG2 4.35Å; I108-L146 HydrophobicContact CD1-CD1 4.31Å; I108-L146 HydrophobicContact CG1-CD1 3.94Å; I108-L146 HydrophobicContact CG1-CD2 4.13Å; I108-L146 HydrophobicContact CG1-CG 4.34Å |
| 109 | L | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70.3 | -41.4 | -174.3 | -68.9 | 173.8 | 0 | 0 | 0 | 111.6 | V42 I46 L64 V67 L71 L105 T111 A112 Y113 | V42-L109 HydrophobicContact CG1-CD1 4.11Å; I46-L109 HydrophobicContact CD1-CB 3.52Å; I46-L109 HydrophobicContact CD1-CD1 4.38Å; L64-L109 HydrophobicContact CB-CD1 4.22Å; L64-L109 HydrophobicContact CD2-CD1 4.26Å; V67-L109 HydrophobicContact CB-CD2 4.41Å; V67-L109 HydrophobicContact CG1-CD2 3.82Å; L71-L109 HydrophobicContact CD1-CD2 3.9Å; L105-L109 HydrophobicContact CD1-CD1 3.93Å; L105-L109 HydrophobicContact CD1-CG 3.96Å; L105-L109 HydrophobicContact CD2-CD1 4.04Å; L105-L109 HydrophobicContact CG-CD1 3.69Å; L105-L109 HydrophobicContact CG-CG 4.11Å; L105-L109 WeakPolarHBondContact O-CB 3.27Å; L105-L109 PolarHBondContact O-N 3.37Å; L109-T111 VanDerWaalsContact C-N 3.31Å; L109-T111 PolarHBondContact O-N 2.89Å; L109-A112 PolarHBondContact O-N 2.88Å; L109-Y113 WeakPolarHBondContact O-CD2 3.4Å; L109-Y113 PolarHBondContact O-N 2.91Å |
| 110 | G | 95.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.2 | -45.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y50 C106 Y113 K114 | Y50-G110 WeakPolarHBondContact CD1-O 3.29Å; Y50-G110 VanDerWaalsContact CE1-O 3.25Å; Y50-G110 WeakPolarHBondContact CE1-O 3.48Å; C106-G110 PolarHBondContact O-N 2.8Å; G110-Y113 PolarHBondContact O-N 2.6Å; G110-K114 PolarHBondContact O-N 3.42Å |
| 111 | T | 96.7 | Very high | 94.2 | Very high | 6 Ų | 6 | 27 Ų | 27 | 4% | 0.037 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -70.9 | -37.2 | 179.8 | -55.1 | 0 | 0 | 0 | 0 | 112.3 | Y50 H107 I108 L109 K114 F115 V141 I142 A145 | Y50-T111 PolarHBondContact OH-OG1 2.92Å; Y50-T111 VanDerWaalsContact OH-OG1 3.05Å; H107-T111 WeakPolarHBondContact O-CB 3.37Å; H107-T111 PolarHBondContact O-N 2.92Å; H107-T111 PolarHBondContact O-OG1 3.31Å; I108-T111 PolarHBondContact O-N 3.38Å; L109-T111 VanDerWaalsContact C-N 3.31Å; L109-T111 PolarHBondContact O-N 2.89Å; T111-K114 WeakPolarHBondContact O-CB 3.41Å; T111-K114 PolarHBondContact O-N 2.8Å; T111-F115 WeakPolarHBondContact O-CB 3.36Å; T111-F115 PolarHBondContact O-N 2.6Å; T111-V141 HydrophobicContact CG2-CG1 3.78Å; T111-I142 HydrophobicContact CG2-CG1 3.92Å; T111-A145 HydrophobicContact CG2-CB 4.16Å |
| 112 | A | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.7 | -40.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I108 L109 F115 K116 F124 M138 I142 | I108-A112 WeakPolarHBondContact O-CB 3.46Å; I108-A112 PolarHBondContact O-N 3.06Å; L109-A112 PolarHBondContact O-N 2.88Å; A112-F115 PolarHBondContact O-N 3.3Å; A112-K116 WeakPolarHBondContact O-CB 3.29Å; A112-K116 PolarHBondContact O-N 3.17Å; A112-F124 HydrophobicContact CB-CE1 4.04Å; A112-F124 HydrophobicContact CB-CZ 4.17Å; A112-M138 HydrophobicContact CB-SD 4.04Å; A112-I142 HydrophobicContact CB-CD1 4.19Å |
| 113 | Y | 95.5 | Very high | 94.1 | Very high | 5 Ų | 5 | 41.7 Ų | 41.7 | 2% | 0.02 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.8 | -38.1 | 175.1 | -91.2 | -100.1 | 0 | 0 | 0 | 112.6 | V54 P59 L64 L109 G110 K116 V117 F124 | V54-Y113 HydrophobicContact CG2-CD1 4.06Å; V54-Y113 HydrophobicContact CG2-CG 4.2Å; P59-Y113 HydrophobicContact CB-CE1 4.43Å; P59-Y113 WeakPolarHBondContact CB-OH 3.35Å; P59-Y113 HydrophobicContact CG-CE1 4.08Å; L64-Y113 HydrophobicContact CD2-CE2 3.93Å; L109-Y113 WeakPolarHBondContact O-CD2 3.4Å; L109-Y113 PolarHBondContact O-N 2.91Å; G110-Y113 PolarHBondContact O-N 2.6Å; Y113-K116 HydrophobicContact CD1-CD 4.43Å; Y113-V117 WeakPolarHBondContact O-CG2 3.48Å; Y113-V117 PolarHBondContact O-N 3.33Å; Y113-F124 AromaticContact CD2-CE2 3.92Å; Y113-F124 HydrophobicContact CD2-CE2 3.92Å; Y113-F124 AromaticContact CD2-CZ 3.82Å; Y113-F124 HydrophobicContact CD2-CZ 3.82Å; Y113-F124 HydrophobicContact CE1-CE2 4.25Å; Y113-F124 AromaticContact CE2-CE2 3.56Å; Y113-F124 HydrophobicContact CE2-CE2 3.56Å; Y113-F124 AromaticContact CE2-CZ 3.95Å; Y113-F124 HydrophobicContact CE2-CZ 3.95Å; Y113-F124 HydrophobicContact CG-CE2 4.4Å; Y113-F124 HydrophobicContact CG-CZ 4.22Å; Y113-F124 AromaticContact CZ-CE2 3.73Å |
| 114 | K | 95.1 | Very high | 94.1 | Very high | 72 Ų | 72 | 42.1 Ų | 42.1 | 31% | 0.313 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -56 | -53 | 169.6 | 166.9 | 174.9 | 178.3 | -170.7 | 0 | 111 | Y50 Y53 G110 T111 K116 V117 E118 | Y50-K114 HydrophobicContact CD1-CB 4.27Å; Y50-K114 HydrophobicContact CE1-CB 4.36Å; Y53-K114 HydrophobicContact CD1-CB 4.15Å; Y53-K114 HydrophobicContact CD1-CG 4.19Å; Y53-K114 HydrophobicContact CD2-CB 4.05Å; Y53-K114 HydrophobicContact CD2-CG 4.37Å; Y53-K114 HydrophobicContact CE1-CB 4.21Å; Y53-K114 HydrophobicContact CE1-CD 4.49Å; Y53-K114 HydrophobicContact CE1-CG 3.75Å; Y53-K114 HydrophobicContact CE2-CB 4.14Å; Y53-K114 HydrophobicContact CE2-CD 4.06Å; Y53-K114 HydrophobicContact CE2-CG 3.98Å; Y53-K114 HydrophobicContact CG-CB 4.03Å; Y53-K114 HydrophobicContact CG-CG 4.45Å; Y53-K114 WeakPolarHBondContact OH-CE 3.48Å; G110-K114 PolarHBondContact O-N 3.42Å; T111-K114 WeakPolarHBondContact O-CB 3.41Å; T111-K114 PolarHBondContact O-N 2.8Å; K114-K116 PolarHBondContact O-N 3.34Å; K114-V117 PolarHBondContact O-N 2.72Å; K114-E118 VanDerWaalsContact CE-CD 3.45Å; K114-E118 WeakPolarHBondContact CE-OE1 3.44Å; K114-E118 WeakPolarHBondContact CE-OE2 3.44Å; K114-E118 WeakPolarHBondContact CG-OE1 3.26Å; K114-E118 WeakPolarHBondContact CG-OE2 3.2Å; K114-E118 WeakPolarHBondContact O-CG 3.25Å; K114-E118 PolarHBondContact O-N 2.79Å |
| 115 | F | 95.6 | Very high | 93.8 | Very high | 10 Ų | 10 | 43.9 Ų | 43.9 | 4% | 0.044 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.4 | -41.7 | -179 | -167.3 | -92.4 | 0 | 0 | 0 | 112.4 | T111 A112 V117 E118 Q119 W121 R134 E137 M138 | T111-F115 WeakPolarHBondContact O-CB 3.36Å; T111-F115 PolarHBondContact O-N 2.6Å; A112-F115 PolarHBondContact O-N 3.3Å; F115-V117 VanDerWaalsContact C-N 3.28Å; F115-V117 PolarHBondContact O-N 3.46Å; F115-E118 PolarHBondContact O-N 3.11Å; F115-Q119 HydrophobicContact CD1-CG 3.73Å; F115-Q119 HydrophobicContact CE1-CG 3.45Å; F115-Q119 VanDerWaalsContact CE1-CG 3.45Å; F115-Q119 HydrophobicContact CE2-CG 4.39Å; F115-Q119 HydrophobicContact CG-CG 4.33Å; F115-Q119 HydrophobicContact CZ-CG 3.83Å; F115-Q119 VanDerWaalsContact CZ-NE2 3.35Å; F115-Q119 WeakPolarHBondContact O-CB 3.23Å; F115-Q119 WeakPolarHBondContact O-CG 3.47Å; F115-Q119 PolarHBondContact O-N 2.89Å; F115-W121 HydrophobicContact CD1-CH2 4.26Å; F115-W121 HydrophobicContact CD1-CZ3 4.34Å; F115-W121 AromaticContact CE1-CH2 3.93Å; F115-W121 HydrophobicContact CE1-CH2 3.93Å; F115-W121 HydrophobicContact CE1-CZ2 4.35Å; F115-W121 HydrophobicContact CE1-CZ3 4.47Å; F115-R134 VanDerWaalsContact CE1-O 3.25Å; F115-R134 WeakPolarHBondContact CE1-O 3.38Å; F115-R134 WeakPolarHBondContact CZ-O 3.47Å; F115-E137 HydrophobicContact CE2-CG 4.01Å; F115-E137 HydrophobicContact CZ-CB 4.12Å; F115-E137 HydrophobicContact CZ-CG 3.99Å; F115-E137 WeakPolarHBondContact CZ-OE2 3.23Å; F115-M138 HydrophobicContact CB-CG 3.88Å; F115-M138 HydrophobicContact CB-SD 4.34Å; F115-M138 HydrophobicContact CD1-CB 3.57Å; F115-M138 HydrophobicContact CD1-CG 3.58Å; F115-M138 HydrophobicContact CD1-SD 3.93Å; F115-M138 HydrophobicContact CD2-CB 4.39Å; F115-M138 HydrophobicContact CD2-CG 4.45Å; F115-M138 HydrophobicContact CE1-CB 3.61Å; F115-M138 HydrophobicContact CE1-CG 4.18Å; F115-M138 HydrophobicContact CE2-CB 4.44Å; F115-M138 HydrophobicContact CG-CB 3.97Å; F115-M138 HydrophobicContact CG-CG 3.72Å; F115-M138 HydrophobicContact CG-SD 4.43Å; F115-M138 HydrophobicContact CZ-CB 4.06Å |
| 116 | K | 93.9 | Very high | 93.6 | Very high | 13 Ų | 13 | 44.2 Ų | 44.2 | 6% | 0.057 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -51.2 | -46.6 | 172.2 | 173.9 | -161.1 | 166.9 | -170.7 | 0 | 111.8 | D57 A112 Y113 K114 G120 W121 F124 | D57-K116 IonicContact OD2-NZ 2.59Å; D57-K116 PolarHBondContact OD2-NZ 2.88Å; A112-K116 WeakPolarHBondContact O-CB 3.29Å; A112-K116 PolarHBondContact O-N 3.17Å; Y113-K116 HydrophobicContact CD1-CD 4.43Å; K114-K116 PolarHBondContact O-N 3.34Å; K116-G120 PolarHBondContact O-N 3.43Å; K116-W121 WeakPolarHBondContact CE-O 3.48Å; K116-W121 HydrophobicContact CG-CB 3.87Å; K116-W121 VanDerWaalsContact CG-O 3.3Å; K116-W121 WeakPolarHBondContact CG-O 3.37Å; K116-W121 PolarHBondContact O-N 3.07Å; K116-F124 HydrophobicContact CB-CE1 3.92Å; K116-F124 HydrophobicContact CB-CZ 3.9Å; K116-F124 HydrophobicContact CD-CD2 4.32Å; K116-F124 HydrophobicContact CD-CE2 3.8Å; K116-F124 HydrophobicContact CD-CZ 3.91Å; K116-F124 HydrophobicContact CG-CE1 4.48Å; K116-F124 HydrophobicContact CG-CZ 4.32Å |
| 117 | V | 93.4 | Very high | 93.3 | Very high | 70 Ų | 70 | 51.8 Ų | 51.8 | 42% | 0.424 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -71.5 | -43.1 | -179.9 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | Y53 Y113 K114 F115 Q119 G120 | Y53-V117 HydrophobicContact CD1-CB 3.99Å; Y53-V117 HydrophobicContact CD1-CG1 4.02Å; Y53-V117 WeakPolarHBondContact O-CG2 3.24Å; Y113-V117 WeakPolarHBondContact O-CG2 3.48Å; Y113-V117 PolarHBondContact O-N 3.33Å; K114-V117 PolarHBondContact O-N 2.72Å; F115-V117 VanDerWaalsContact C-N 3.28Å; F115-V117 PolarHBondContact O-N 3.46Å; V117-Q119 VanDerWaalsContact C-N 3.26Å; V117-Q119 PolarHBondContact O-N 2.92Å; V117-G120 PolarHBondContact O-N 3.39Å |
| 118 | E | 94 | Very high | 93 | Very high | 107 Ų | 107 | 53.4 Ų | 53.4 | 50% | 0.5 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.4 | -28.7 | 179.6 | -71.7 | 168.8 | 175.6 | 0 | 0 | 112.2 | Y53 K114 F115 | Y53-E118 HydrophobicContact CE1-CG 4.14Å; Y53-E118 VanDerWaalsContact CE1-OE1 3.3Å; Y53-E118 WeakPolarHBondContact CE1-OE1 3.2Å; Y53-E118 PolarHBondContact OH-OE1 3.43Å; K114-E118 VanDerWaalsContact CE-CD 3.45Å; K114-E118 WeakPolarHBondContact CE-OE1 3.44Å; K114-E118 WeakPolarHBondContact CE-OE2 3.44Å; K114-E118 WeakPolarHBondContact CG-OE1 3.26Å; K114-E118 WeakPolarHBondContact CG-OE2 3.2Å; K114-E118 WeakPolarHBondContact O-CG 3.25Å; K114-E118 PolarHBondContact O-N 2.79Å; F115-E118 PolarHBondContact O-N 3.11Å |
| 119 | Q | 92.9 | Very high | 92.6 | Very high | 62 Ų | 62 | 58.7 Ų | 58.7 | 29% | 0.29 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 3.5 | 170.9 | -58.7 | -67.7 | -23.1 | 0 | 0 | 114.3 | F115 V117 W121 | F115-Q119 HydrophobicContact CD1-CG 3.73Å; F115-Q119 HydrophobicContact CE1-CG 3.45Å; F115-Q119 VanDerWaalsContact CE1-CG 3.45Å; F115-Q119 HydrophobicContact CE2-CG 4.39Å; F115-Q119 HydrophobicContact CG-CG 4.33Å; F115-Q119 HydrophobicContact CZ-CG 3.83Å; F115-Q119 VanDerWaalsContact CZ-NE2 3.35Å; F115-Q119 WeakPolarHBondContact O-CB 3.23Å; F115-Q119 WeakPolarHBondContact O-CG 3.47Å; F115-Q119 PolarHBondContact O-N 2.89Å; V117-Q119 VanDerWaalsContact C-N 3.26Å; V117-Q119 PolarHBondContact O-N 2.92Å; Q119-W121 VanDerWaalsContact C-N 3.31Å; Q119-W121 HydrophobicContact CB-CD2 4.07Å; Q119-W121 HydrophobicContact CB-CG 4.13Å; Q119-W121 HydrophobicContact CB-CZ2 4.18Å; Q119-W121 HydrophobicContact CG-CZ2 4.27Å; Q119-W121 PolarHBondContact O-N 3.12Å |
| 120 | G | 90.9 | Very high | 92.3 | Very high | 63 Ų | 63 | 63.6 Ų | 63.6 | 65% | 0.649 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 22.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | K116 V117 | K116-G120 PolarHBondContact O-N 3.43Å; V117-G120 PolarHBondContact O-N 3.39Å |
| 121 | W | 92.3 | Very high | 92 | Very high | 29 Ų | 29 | 66.6 Ų | 66.6 | 11% | 0.11 | 33% | 0.334 | C | S | . | . | trans | -79.7 | 122.8 | -174.5 | -66.8 | -4 | 0 | 0 | 0 | 112.8 | F115 K116 Q119 R123 R134 N135 M138 | F115-W121 HydrophobicContact CD1-CH2 4.26Å; F115-W121 HydrophobicContact CD1-CZ3 4.34Å; F115-W121 AromaticContact CE1-CH2 3.93Å; F115-W121 HydrophobicContact CE1-CH2 3.93Å; F115-W121 HydrophobicContact CE1-CZ2 4.35Å; F115-W121 HydrophobicContact CE1-CZ3 4.47Å; K116-W121 WeakPolarHBondContact CE-O 3.48Å; K116-W121 HydrophobicContact CG-CB 3.87Å; K116-W121 VanDerWaalsContact CG-O 3.3Å; K116-W121 WeakPolarHBondContact CG-O 3.37Å; K116-W121 PolarHBondContact O-N 3.07Å; Q119-W121 VanDerWaalsContact C-N 3.31Å; Q119-W121 HydrophobicContact CB-CD2 4.07Å; Q119-W121 HydrophobicContact CB-CG 4.13Å; Q119-W121 HydrophobicContact CB-CZ2 4.18Å; Q119-W121 HydrophobicContact CG-CZ2 4.27Å; Q119-W121 PolarHBondContact O-N 3.12Å; W121-R123 VanDerWaalsContact C-N 3.33Å; W121-R123 PolarHBondContact O-N 3.16Å; W121-R134 HydrophobicContact CH2-CB 4.22Å; W121-R134 HydrophobicContact CZ2-CB 3.87Å; W121-N135 VanDerWaalsContact CH2-OD1 3.28Å; W121-N135 WeakPolarHBondContact CH2-OD1 3.12Å; W121-M138 HydrophobicContact CZ3-SD 4.49Å | ||
| 122 | R | 88 | Confident | 91.7 | Very high | 243 Ų | 243 | 69 Ų | 69 | 92% | 0.917 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -62.9 | -36.4 | 174.2 | -64.3 | -173 | -179.3 | -163.5 | -0.6 | 113.3 | ||
| 123 | R | 88.6 | Confident | 91.5 | Very high | 175 Ų | 175 | 77 Ų | 77 | 66% | 0.66 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -146.4 | 159.1 | 177.2 | 66 | 174.9 | -167.1 | -158.6 | 4.3 | 110.5 | W121 | W121-R123 VanDerWaalsContact C-N 3.33Å; W121-R123 PolarHBondContact O-N 3.16Å |
| 124 | F | 92.1 | Very high | 91.4 | Very high | 15 Ų | 15 | 82 Ų | 82 | 7% | 0.066 | 41% | 0.405 | C | S | . | . | trans | -64 | 144.8 | 162.8 | -63 | -80 | 0 | 0 | 0 | 109.9 | V67 A112 Y113 K116 M138 | V67-F124 HydrophobicContact CB-CD2 4.38Å; V67-F124 HydrophobicContact CG1-CD2 3.92Å; V67-F124 HydrophobicContact CG1-CE2 3.9Å; V67-F124 HydrophobicContact CG1-CG 4.27Å; V67-F124 HydrophobicContact CG1-CZ 4.23Å; V67-F124 HydrophobicContact CG2-CD2 3.44Å; V67-F124 VanDerWaalsContact CG2-CD2 3.44Å; V67-F124 HydrophobicContact CG2-CE2 3.86Å; V67-F124 HydrophobicContact CG2-CG 4.22Å; A112-F124 HydrophobicContact CB-CE1 4.04Å; A112-F124 HydrophobicContact CB-CZ 4.17Å; Y113-F124 AromaticContact CD2-CE2 3.92Å; Y113-F124 HydrophobicContact CD2-CE2 3.92Å; Y113-F124 AromaticContact CD2-CZ 3.82Å; Y113-F124 HydrophobicContact CD2-CZ 3.82Å; Y113-F124 HydrophobicContact CE1-CE2 4.25Å; Y113-F124 AromaticContact CE2-CE2 3.56Å; Y113-F124 HydrophobicContact CE2-CE2 3.56Å; Y113-F124 AromaticContact CE2-CZ 3.95Å; Y113-F124 HydrophobicContact CE2-CZ 3.95Å; Y113-F124 HydrophobicContact CG-CE2 4.4Å; Y113-F124 HydrophobicContact CG-CZ 4.22Å; Y113-F124 AromaticContact CZ-CE2 3.73Å; K116-F124 HydrophobicContact CB-CE1 3.92Å; K116-F124 HydrophobicContact CB-CZ 3.9Å; K116-F124 HydrophobicContact CD-CD2 4.32Å; K116-F124 HydrophobicContact CD-CE2 3.8Å; K116-F124 HydrophobicContact CD-CZ 3.91Å; K116-F124 HydrophobicContact CG-CE1 4.48Å; K116-F124 HydrophobicContact CG-CZ 4.32Å; F124-M138 HydrophobicContact CE1-SD 4.36Å | ||
| 125 | D | 89.4 | Confident | 91.4 | Very high | 38 Ų | 38 | 78.6 Ų | 78.6 | 20% | 0.203 | 39% | 0.39 | C | S | . | . | trans | -158.1 | 62.8 | -173.3 | -172.1 | 25 | 0 | 0 | 0 | 108 | Q127 N128 R131 | D125-Q127 VanDerWaalsContact C-N 3.35Å; D125-N128 WeakPolarHBondContact O-CB 3.49Å; D125-N128 WeakPolarHBondContact OD2-CB 3.43Å; D125-N128 PolarHBondContact OD2-ND2 3.01Å; D125-R131 IonicContact OD2-NE 3.94Å | ||
| 126 | L | 91.1 | Very high | 91.3 | Very high | 6 Ų | 6 | 79.6 Ų | 79.6 | 3% | 0.031 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -21.6 | -168.3 | -60.5 | -177.3 | 0 | 0 | 0 | 113.3 | Q70 L71 F74 N128 N135 M138 | Q70-L126 HydrophobicContact CB-CD1 4.04Å; L71-L126 HydrophobicContact CD2-CD1 3.75Å; L71-L126 HydrophobicContact CG-CD1 4.08Å; F74-L126 HydrophobicContact CB-CB 4.06Å; F74-L126 HydrophobicContact CB-CD1 4.16Å; F74-L126 HydrophobicContact CD2-CB 4.11Å; F74-L126 WeakPolarHBondContact CD2-O 3.37Å; F74-L126 HydrophobicContact CG-CB 4.24Å; L126-N128 PolarHBondContact O-N 3.48Å; L126-N135 HydrophobicContact CD2-CB 4.14Å; L126-N135 VanDerWaalsContact CD2-CG 3.49Å; L126-N135 WeakPolarHBondContact CD2-OD1 3.48Å; L126-N135 PolarHBondContact O-ND2 3Å; L126-M138 HydrophobicContact CD2-CE 3.95Å |
| 127 | Q | 89.5 | Confident | 91.4 | Very high | 159 Ų | 159 | 82.9 Ų | 82.9 | 74% | 0.743 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -6.3 | 176.3 | -66.1 | 178.3 | -16.8 | 0 | 0 | 113.9 | D125 P129 | D125-Q127 VanDerWaalsContact C-N 3.35Å; Q127-P129 VanDerWaalsContact O-CD 3.31Å; Q127-P129 WeakPolarHBondContact O-CD 3.49Å |
| 128 | N | 89.6 | Confident | 91.5 | Very high | 47 Ų | 47 | 79.6 Ų | 79.6 | 25% | 0.251 | 39% | 0.392 | S | S | . | . | trans | -85.9 | 112.7 | -172.5 | -175.8 | -20.6 | 0 | 0 | 0 | 111.4 | D125 L126 S130 R131 | D125-N128 WeakPolarHBondContact O-CB 3.49Å; D125-N128 WeakPolarHBondContact OD2-CB 3.43Å; D125-N128 PolarHBondContact OD2-ND2 3.01Å; L126-N128 PolarHBondContact O-N 3.48Å; N128-S130 PolarHBondContact O-N 3.43Å; N128-S130 PolarHBondContact OD1-N 3.07Å; N128-S130 PolarHBondContact OD1-OG 3.44Å; N128-R131 HydrophobicContact CB-CG 4.38Å; N128-R131 PolarHBondContact O-N 2.84Å | ||
| 129 | P | 87.9 | Confident | 91.6 | Very high | 113 Ų | 113 | 74.6 Ų | 74.6 | 73% | 0.734 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -61.9 | -23.1 | -174 | -24.4 | 35.8 | 0 | 0 | 0 | 114.3 | Q127 R131 T132 | Q127-P129 VanDerWaalsContact O-CD 3.31Å; Q127-P129 WeakPolarHBondContact O-CD 3.49Å; P129-R131 PolarHBondContact O-N 3.47Å; P129-T132 PolarHBondContact O-OG1 2.66Å |
| 130 | S | 89.7 | Confident | 91.7 | Very high | 103 Ų | 103 | 72.3 Ų | 72.3 | 72% | 0.72 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -71.5 | -7.9 | 175.1 | 69.2 | 0 | 0 | 0 | 0 | 114 | N128 | N128-S130 PolarHBondContact O-N 3.43Å; N128-S130 PolarHBondContact OD1-N 3.07Å; N128-S130 PolarHBondContact OD1-OG 3.44Å |
| 131 | R | 89.6 | Confident | 92 | Very high | 63 Ų | 63 | 71.9 Ų | 71.9 | 24% | 0.238 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -112.7 | -7.8 | 179.6 | -63.2 | -174.2 | 175 | -156.7 | -2.1 | 114 | D125 N128 P129 E133 R134 N135 | D125-R131 IonicContact OD2-NE 3.94Å; N128-R131 HydrophobicContact CB-CG 4.38Å; N128-R131 PolarHBondContact O-N 2.84Å; P129-R131 PolarHBondContact O-N 3.47Å; R131-E133 VanDerWaalsContact C-N 3.29Å; R131-E133 PolarHBondContact O-N 3.49Å; R131-E133 VanDerWaalsContact O-N 3.15Å; R131-R134 CarbonylContact O-C 3.57Å; R131-R134 WeakPolarHBondContact O-CA 3.48Å; R131-R134 PolarHBondContact O-N 3.45Å; R131-N135 VanDerWaalsContact O-CG 3.25Å; R131-N135 PolarHBondContact O-N 3.28Å; R131-N135 PolarHBondContact O-OD1 3.47Å |
| 132 | T | 90.4 | Very high | 92.2 | Very high | 56 Ų | 56 | 70.5 Ų | 70.5 | 34% | 0.344 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -51 | -45 | -172.1 | -57.2 | 0 | 0 | 0 | 0 | 112.9 | F74 P129 R134 N135 V136 | F74-T132 HydrophobicContact CE2-CG2 4.18Å; F74-T132 HydrophobicContact CZ-CG2 4.12Å; P129-T132 PolarHBondContact O-OG1 2.66Å; T132-R134 PolarHBondContact O-N 3.23Å; T132-N135 WeakPolarHBondContact O-CB 3.47Å; T132-N135 PolarHBondContact O-N 3.29Å; T132-N135 VanDerWaalsContact O-N 3.17Å; T132-V136 WeakPolarHBondContact O-CG2 3.44Å; T132-V136 PolarHBondContact O-N 3.19Å |
| 133 | E | 91.9 | Very high | 92.5 | Very high | 167 Ų | 167 | 60.5 Ų | 60.5 | 78% | 0.78 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -59.5 | -44.6 | 176.8 | -174.4 | 178.4 | -155.8 | 0 | 0 | 113 | R131 N135 V136 E137 | R131-E133 VanDerWaalsContact C-N 3.29Å; R131-E133 PolarHBondContact O-N 3.49Å; R131-E133 VanDerWaalsContact O-N 3.15Å; E133-N135 VanDerWaalsContact C-N 3.34Å; E133-V136 PolarHBondContact O-N 3.28Å; E133-E137 PolarHBondContact O-N 3.12Å |
| 134 | R | 94.1 | Very high | 92.8 | Very high | 112 Ų | 112 | 58.4 Ų | 58.4 | 42% | 0.423 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -71.1 | -28.3 | 175.8 | -66.4 | -61.5 | -171.4 | 174.5 | -0.4 | 112.8 | F115 W121 R131 T132 E137 M138 | F115-R134 VanDerWaalsContact CE1-O 3.25Å; F115-R134 WeakPolarHBondContact CE1-O 3.38Å; F115-R134 WeakPolarHBondContact CZ-O 3.47Å; W121-R134 HydrophobicContact CH2-CB 4.22Å; W121-R134 HydrophobicContact CZ2-CB 3.87Å; R131-R134 CarbonylContact O-C 3.57Å; R131-R134 WeakPolarHBondContact O-CA 3.48Å; R131-R134 PolarHBondContact O-N 3.45Å; T132-R134 PolarHBondContact O-N 3.23Å; R134-E137 WeakPolarHBondContact CD-OE2 3.44Å; R134-E137 IonicContact CZ-OE2 2.62Å; R134-E137 IonicContact NE-OE2 3.48Å; R134-E137 VanDerWaalsContact NH1-CD 3.33Å; R134-E137 IonicContact NH1-OE1 2.69Å; R134-E137 PolarHBondContact NH1-OE1 3.4Å; R134-E137 IonicContact NH1-OE2 3.48Å; R134-E137 PolarHBondContact NH1-OE2 3.04Å; R134-M138 PolarHBondContact O-N 3.27Å |
| 135 | N | 93.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.9 | -40.4 | 172.7 | -60.7 | -17.1 | 0 | 0 | 0 | 110.3 | F74 W121 L126 R131 T132 E133 M138 F139 | F74-N135 HydrophobicContact CD1-CB 4.36Å; F74-N135 HydrophobicContact CD2-CB 4.39Å; F74-N135 HydrophobicContact CE1-CB 3.67Å; F74-N135 HydrophobicContact CE2-CB 3.69Å; F74-N135 HydrophobicContact CZ-CB 3.29Å; W121-N135 VanDerWaalsContact CH2-OD1 3.28Å; W121-N135 WeakPolarHBondContact CH2-OD1 3.12Å; L126-N135 HydrophobicContact CD2-CB 4.14Å; L126-N135 VanDerWaalsContact CD2-CG 3.49Å; L126-N135 WeakPolarHBondContact CD2-OD1 3.48Å; L126-N135 PolarHBondContact O-ND2 3Å; R131-N135 VanDerWaalsContact O-CG 3.25Å; R131-N135 PolarHBondContact O-N 3.28Å; R131-N135 PolarHBondContact O-OD1 3.47Å; T132-N135 WeakPolarHBondContact O-CB 3.47Å; T132-N135 PolarHBondContact O-N 3.29Å; T132-N135 VanDerWaalsContact O-N 3.17Å; E133-N135 VanDerWaalsContact C-N 3.34Å; N135-M138 WeakPolarHBondContact O-CB 3.42Å; N135-M138 PolarHBondContact O-N 3.39Å; N135-F139 WeakPolarHBondContact O-CD2 3.35Å; N135-F139 PolarHBondContact O-N 3.47Å; N135-F139 VanDerWaalsContact O-N 3.08Å |
| 136 | V | 94.6 | Very high | 93.2 | Very high | 31 Ų | 31 | 56.4 Ų | 56.4 | 19% | 0.188 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 172.1 | 174.4 | 0 | 0 | 0 | 0 | 111 | F74 F79 A87 L88 T132 E133 M138 F139 G140 | F74-V136 HydrophobicContact CE1-CG2 4.44Å; F74-V136 HydrophobicContact CZ-CG2 4.21Å; F79-V136 HydrophobicContact CE1-CG1 4.16Å; F79-V136 HydrophobicContact CE1-CG2 3.92Å; F79-V136 HydrophobicContact CZ-CB 4.28Å; F79-V136 HydrophobicContact CZ-CG1 4.14Å; F79-V136 HydrophobicContact CZ-CG2 3.83Å; A87-V136 HydrophobicContact CB-CG1 4.02Å; L88-V136 HydrophobicContact CD1-CG1 4.01Å; L88-V136 HydrophobicContact CG-CG1 4.24Å; T132-V136 WeakPolarHBondContact O-CG2 3.44Å; T132-V136 PolarHBondContact O-N 3.19Å; E133-V136 PolarHBondContact O-N 3.28Å; V136-M138 VanDerWaalsContact C-N 3.33Å; V136-M138 PolarHBondContact O-N 2.9Å; V136-F139 PolarHBondContact O-N 2.69Å; V136-G140 PolarHBondContact O-N 2.99Å |
| 137 | E | 95.3 | Very high | 93.3 | Very high | 82 Ų | 82 | 58.9 Ų | 58.9 | 38% | 0.383 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -56.9 | -44.8 | 173.1 | -175 | -174.2 | -158 | 0 | 0 | 111.7 | F115 E133 R134 F139 G140 V141 | F115-E137 HydrophobicContact CE2-CG 4.01Å; F115-E137 HydrophobicContact CZ-CB 4.12Å; F115-E137 HydrophobicContact CZ-CG 3.99Å; F115-E137 WeakPolarHBondContact CZ-OE2 3.23Å; E133-E137 PolarHBondContact O-N 3.12Å; R134-E137 WeakPolarHBondContact CD-OE2 3.44Å; R134-E137 IonicContact CZ-OE2 2.62Å; R134-E137 IonicContact NE-OE2 3.48Å; R134-E137 VanDerWaalsContact NH1-CD 3.33Å; R134-E137 IonicContact NH1-OE1 2.69Å; R134-E137 PolarHBondContact NH1-OE1 3.4Å; R134-E137 IonicContact NH1-OE2 3.48Å; R134-E137 PolarHBondContact NH1-OE2 3.04Å; E137-F139 VanDerWaalsContact C-N 3.35Å; E137-F139 PolarHBondContact O-N 3.08Å; E137-G140 PolarHBondContact O-N 3.36Å; E137-V141 WeakPolarHBondContact O-CG2 3.48Å; E137-V141 PolarHBondContact O-N 2.93Å |
| 138 | M | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.2 | -45.2 | 175.3 | -171.6 | -179.7 | 65.4 | 0 | 0 | 112.1 | L71 A112 F115 W121 F124 L126 R134 N135 V136 V141 I142 | L71-M138 HydrophobicContact CD2-CE 3.55Å; A112-M138 HydrophobicContact CB-SD 4.04Å; F115-M138 HydrophobicContact CB-CG 3.88Å; F115-M138 HydrophobicContact CB-SD 4.34Å; F115-M138 HydrophobicContact CD1-CB 3.57Å; F115-M138 HydrophobicContact CD1-CG 3.58Å; F115-M138 HydrophobicContact CD1-SD 3.93Å; F115-M138 HydrophobicContact CD2-CB 4.39Å; F115-M138 HydrophobicContact CD2-CG 4.45Å; F115-M138 HydrophobicContact CE1-CB 3.61Å; F115-M138 HydrophobicContact CE1-CG 4.18Å; F115-M138 HydrophobicContact CE2-CB 4.44Å; F115-M138 HydrophobicContact CG-CB 3.97Å; F115-M138 HydrophobicContact CG-CG 3.72Å; F115-M138 HydrophobicContact CG-SD 4.43Å; F115-M138 HydrophobicContact CZ-CB 4.06Å; W121-M138 HydrophobicContact CZ3-SD 4.49Å; F124-M138 HydrophobicContact CE1-SD 4.36Å; L126-M138 HydrophobicContact CD2-CE 3.95Å; R134-M138 PolarHBondContact O-N 3.27Å; N135-M138 WeakPolarHBondContact O-CB 3.42Å; N135-M138 PolarHBondContact O-N 3.39Å; V136-M138 VanDerWaalsContact C-N 3.33Å; V136-M138 PolarHBondContact O-N 2.9Å; M138-V141 PolarHBondContact O-N 3.33Å; M138-V141 VanDerWaalsContact O-N 3.15Å; M138-I142 HydrophobicContact CE-CD1 4.5Å; M138-I142 HydrophobicContact CG-CD1 3.98Å; M138-I142 WeakPolarHBondContact O-CG1 3.33Å; M138-I142 PolarHBondContact O-N 2.87Å |
| 139 | F | 96.2 | Very high | 93.6 | Very high | 3 Ų | 3 | 60 Ų | 60 | 1% | 0.013 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.1 | -40.5 | 176.4 | -90.8 | -100.8 | 0 | 0 | 0 | 112.1 | L71 F74 Q75 F79 L88 L91 F96 N135 V136 E137 V141 I142 E143 | L71-F139 HydrophobicContact CB-CZ 4.16Å; L71-F139 HydrophobicContact CD2-CE2 3.63Å; L71-F139 HydrophobicContact CD2-CZ 3.78Å; L71-F139 WeakPolarHBondContact O-CZ 3.48Å; F74-F139 AromaticContact CD1-CD2 3.99Å; F74-F139 HydrophobicContact CD1-CD2 3.99Å; F74-F139 AromaticContact CD1-CE2 3.58Å; F74-F139 HydrophobicContact CD1-CE2 3.58Å; F74-F139 HydrophobicContact CD1-CZ 4.25Å; F74-F139 HydrophobicContact CE1-CD2 4.14Å; F74-F139 HydrophobicContact CE1-CE2 4.2Å; Q75-F139 HydrophobicContact CB-CE1 3.99Å; Q75-F139 HydrophobicContact CB-CZ 4.2Å; F79-F139 HydrophobicContact CE2-CB 3.97Å; F79-F139 AromaticContact CE2-CD1 3.88Å; F79-F139 HydrophobicContact CE2-CD1 3.88Å; F79-F139 HydrophobicContact CE2-CD2 4.32Å; F79-F139 HydrophobicContact CE2-CE1 4.47Å; F79-F139 AromaticContact CE2-CG 3.79Å; F79-F139 HydrophobicContact CE2-CG 3.79Å; F79-F139 HydrophobicContact CZ-CB 4.22Å; F79-F139 HydrophobicContact CZ-CG 4.45Å; L88-F139 HydrophobicContact CD1-CB 3.89Å; L91-F139 HydrophobicContact CD1-CD1 3.68Å; L91-F139 HydrophobicContact CD1-CE1 3.92Å; L91-F139 HydrophobicContact CG-CD1 4.12Å; L91-F139 HydrophobicContact CG-CE1 4.48Å; F96-F139 HydrophobicContact CZ-CE1 4.43Å; N135-F139 WeakPolarHBondContact O-CD2 3.35Å; N135-F139 PolarHBondContact O-N 3.47Å; N135-F139 VanDerWaalsContact O-N 3.08Å; V136-F139 PolarHBondContact O-N 2.69Å; E137-F139 VanDerWaalsContact C-N 3.35Å; E137-F139 PolarHBondContact O-N 3.08Å; F139-V141 PolarHBondContact O-N 2.94Å; F139-I142 PolarHBondContact O-N 3.4Å; F139-E143 WeakPolarHBondContact O-CB 3.46Å; F139-E143 PolarHBondContact O-N 2.74Å |
| 140 | G | 94.9 | Very high | 93.8 | Very high | 13 Ų | 13 | 61.6 Ų | 61.6 | 13% | 0.134 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.4 | -17.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | V136 E137 K144 | V136-G140 PolarHBondContact O-N 2.99Å; E137-G140 PolarHBondContact O-N 3.36Å; G140-K144 WeakPolarHBondContact O-CD 3.45Å; G140-K144 WeakPolarHBondContact O-CG 3.28Å |
| 141 | V | 96.7 | Very high | 93.7 | Very high | 55 Ų | 55 | 58.2 Ų | 58.2 | 33% | 0.333 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -86.7 | -38.4 | 169.5 | 177.8 | 0 | 0 | 0 | 0 | 111.1 | T111 E137 M138 F139 K144 A145 | T111-V141 HydrophobicContact CG2-CG1 3.78Å; E137-V141 WeakPolarHBondContact O-CG2 3.48Å; E137-V141 PolarHBondContact O-N 2.93Å; M138-V141 PolarHBondContact O-N 3.33Å; M138-V141 VanDerWaalsContact O-N 3.15Å; F139-V141 PolarHBondContact O-N 2.94Å; V141-K144 PolarHBondContact O-N 3.43Å; V141-A145 PolarHBondContact O-N 3Å |
| 142 | I | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.4 | -45.6 | 174.1 | -69.5 | 163.1 | 0 | 0 | 0 | 111 | L91 I108 T111 A112 M138 F139 K144 A145 L146 | L91-I142 HydrophobicContact CD1-CB 4.36Å; L91-I142 HydrophobicContact CD1-CG2 3.58Å; I108-I142 HydrophobicContact CB-CG2 4.22Å; I108-I142 HydrophobicContact CG1-CG2 3.76Å; I108-I142 HydrophobicContact CG2-CG2 4.35Å; T111-I142 HydrophobicContact CG2-CG1 3.92Å; A112-I142 HydrophobicContact CB-CD1 4.19Å; M138-I142 HydrophobicContact CE-CD1 4.5Å; M138-I142 HydrophobicContact CG-CD1 3.98Å; M138-I142 WeakPolarHBondContact O-CG1 3.33Å; M138-I142 PolarHBondContact O-N 2.87Å; F139-I142 PolarHBondContact O-N 3.4Å; I142-K144 PolarHBondContact O-N 2.95Å; I142-A145 WeakPolarHBondContact O-CB 3.38Å; I142-A145 PolarHBondContact O-N 2.89Å; I142-A145 VanDerWaalsContact O-N 3.11Å; I142-L146 HydrophobicContact CG2-CD1 3.99Å; I142-L146 HydrophobicContact CG2-CG 4.4Å; I142-L146 WeakPolarHBondContact O-CG 3.41Å; I142-L146 PolarHBondContact O-N 3.5Å |
| 143 | E | 94.4 | Very high | 93.6 | Very high | 32 Ų | 32 | 58.2 Ų | 58.2 | 15% | 0.15 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -51.8 | -51.7 | 174.8 | -177.6 | -171.9 | -150.7 | 0 | 0 | 111.6 | L91 F139 A145 L146 I147 K179 | L91-E143 HydrophobicContact CD2-CB 3.87Å; L91-E143 HydrophobicContact CD2-CG 4.23Å; F139-E143 WeakPolarHBondContact O-CB 3.46Å; F139-E143 PolarHBondContact O-N 2.74Å; E143-A145 VanDerWaalsContact C-N 3.32Å; E143-A145 PolarHBondContact O-N 3.4Å; E143-L146 PolarHBondContact O-N 3.42Å; E143-I147 HydrophobicContact CG-CD1 4.09Å; E143-I147 WeakPolarHBondContact O-CG1 3.46Å; E143-I147 PolarHBondContact O-N 2.85Å; E143-K179 WeakPolarHBondContact OE1-CD 3.47Å; E143-K179 IonicContact OE1-NZ 2.91Å; E143-K179 PolarHBondContact OE1-NZ 3.02Å; E143-K179 IonicContact OE2-NZ 3.84Å; E143-K179 PolarHBondContact OE2-NZ 3.35Å |
| 144 | K | 94.5 | Very high | 93.5 | Very high | 132 Ų | 132 | 54 Ų | 54 | 57% | 0.574 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -62.1 | -38.9 | 177.6 | -70.8 | 170.6 | -174.9 | 171.7 | 0 | 112.1 | G140 V141 I142 Q148 | G140-K144 WeakPolarHBondContact O-CD 3.45Å; G140-K144 WeakPolarHBondContact O-CG 3.28Å; V141-K144 PolarHBondContact O-N 3.43Å; I142-K144 PolarHBondContact O-N 2.95Å; K144-Q148 VanDerWaalsContact O-CB 3.29Å; K144-Q148 WeakPolarHBondContact O-CB 3.28Å; K144-Q148 WeakPolarHBondContact O-CG 3.46Å; K144-Q148 PolarHBondContact O-N 3.28Å |
| 145 | A | 95.3 | Very high | 93.4 | Very high | 11 Ų | 11 | 49.3 Ų | 49.3 | 9% | 0.091 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.4 | -40.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T111 V141 I142 E143 Q148 N149 | T111-A145 HydrophobicContact CG2-CB 4.16Å; V141-A145 PolarHBondContact O-N 3Å; I142-A145 WeakPolarHBondContact O-CB 3.38Å; I142-A145 PolarHBondContact O-N 2.89Å; I142-A145 VanDerWaalsContact O-N 3.11Å; E143-A145 VanDerWaalsContact C-N 3.32Å; E143-A145 PolarHBondContact O-N 3.4Å; A145-Q148 PolarHBondContact O-N 3.15Å; A145-N149 PolarHBondContact O-N 3.48Å; A145-N149 VanDerWaalsContact O-N 3.14Å; A145-N149 PolarHBondContact O-ND2 3.49Å |
| 146 | L | 95 | Very high | 93.4 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 176.1 | -74 | 168.4 | 0 | 0 | 0 | 111.8 | L91 H107 I108 I142 E143 N149 N150 C151 V152 | L91-L146 HydrophobicContact CD1-CD1 4.21Å; L91-L146 HydrophobicContact CD2-CD1 4.17Å; H107-L146 HydrophobicContact CB-CD2 4.17Å; I108-L146 HydrophobicContact CD1-CD1 4.31Å; I108-L146 HydrophobicContact CG1-CD1 3.94Å; I108-L146 HydrophobicContact CG1-CD2 4.13Å; I108-L146 HydrophobicContact CG1-CG 4.34Å; I142-L146 HydrophobicContact CG2-CD1 3.99Å; I142-L146 HydrophobicContact CG2-CG 4.4Å; I142-L146 WeakPolarHBondContact O-CG 3.41Å; I142-L146 PolarHBondContact O-N 3.5Å; E143-L146 PolarHBondContact O-N 3.42Å; L146-N149 PolarHBondContact O-N 3.46Å; L146-N150 PolarHBondContact O-N 2.94Å; L146-C151 HydrophobicContact CB-CB 4.16Å; L146-C151 HydrophobicContact CD2-CB 3.46Å; L146-C151 VanDerWaalsContact CD2-CB 3.46Å; L146-C151 HydrophobicContact CG-CB 4.44Å; L146-C151 PolarHBondContact O-N 3.37Å; L146-V152 HydrophobicContact CB-CB 4.36Å; L146-V152 HydrophobicContact CB-CG2 3.95Å; L146-V152 HydrophobicContact CD1-CG2 4.27Å; L146-V152 PolarHBondContact O-N 3.28Å |
| 147 | I | 92.4 | Very high | 93.5 | Very high | 57 Ų | 57 | 49.7 Ų | 49.7 | 29% | 0.292 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.7 | -45.4 | 176.1 | -64.3 | 162.9 | 0 | 0 | 0 | 110.6 | E143 N149 N150 V152 I154 | E143-I147 HydrophobicContact CG-CD1 4.09Å; E143-I147 WeakPolarHBondContact O-CG1 3.46Å; E143-I147 PolarHBondContact O-N 2.85Å; I147-N149 PolarHBondContact O-N 2.95Å; I147-N150 PolarHBondContact O-N 3.34Å; I147-N150 VanDerWaalsContact O-N 3.1Å; I147-V152 HydrophobicContact CG1-CB 4.38Å; I147-I154 HydrophobicContact CD1-CD1 4.28Å; I147-I154 HydrophobicContact CD1-CG1 4.25Å; I147-I154 HydrophobicContact CG2-CD1 4.35Å |
| 148 | Q | 93.8 | Very high | 93.5 | Very high | 152 Ų | 152 | 47.1 Ų | 47.1 | 71% | 0.71 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63.5 | -24.8 | 179.8 | -78.2 | 174.6 | -9.8 | 0 | 0 | 114.6 | K144 A145 | K144-Q148 VanDerWaalsContact O-CB 3.29Å; K144-Q148 WeakPolarHBondContact O-CB 3.28Å; K144-Q148 WeakPolarHBondContact O-CG 3.46Å; K144-Q148 PolarHBondContact O-N 3.28Å; A145-Q148 PolarHBondContact O-N 3.15Å |
| 149 | N | 92.7 | Very high | 93.4 | Very high | 77 Ų | 77 | 48.2 Ų | 48.2 | 41% | 0.412 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 11.9 | 177.5 | -65.3 | -89.6 | 0 | 0 | 0 | 112.4 | H107 A145 L146 I147 C151 | H107-N149 PolarHBondContact CE1-OD1 3.29Å; H107-N149 PolarHBondContact ND1-ND2 3.33Å; A145-N149 PolarHBondContact O-N 3.48Å; A145-N149 VanDerWaalsContact O-N 3.14Å; A145-N149 PolarHBondContact O-ND2 3.49Å; L146-N149 PolarHBondContact O-N 3.46Å; I147-N149 PolarHBondContact O-N 2.95Å; N149-C151 PolarHBondContact O-N 3.27Å |
| 150 | N | 91.3 | Very high | 93.2 | Very high | 148 Ų | 148 | 49.5 Ų | 49.5 | 79% | 0.791 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 21.9 | -178.3 | -52.3 | -68.9 | 0 | 0 | 0 | 115 | L146 I147 V152 | L146-N150 PolarHBondContact O-N 2.94Å; I147-N150 PolarHBondContact O-N 3.34Å; I147-N150 VanDerWaalsContact O-N 3.1Å; N150-V152 VanDerWaalsContact C-N 3.31Å |
| 151 | C | 88.8 | Confident | 92.9 | Very high | 32 Ų | 32 | 54.2 Ų | 54.2 | 22% | 0.216 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -74.2 | -23.2 | 173.3 | -50.5 | 0 | 0 | 0 | 0 | 112.4 | C95 L146 N149 | C95-C151 PolarHBondContact SG-O 3.07Å; L146-C151 HydrophobicContact CB-CB 4.16Å; L146-C151 HydrophobicContact CD2-CB 3.46Å; L146-C151 VanDerWaalsContact CD2-CB 3.46Å; L146-C151 HydrophobicContact CG-CB 4.44Å; L146-C151 PolarHBondContact O-N 3.37Å; N149-C151 PolarHBondContact O-N 3.27Å |
| 152 | V | 89.1 | Confident | 92.4 | Very high | 31 Ų | 31 | 56.6 Ų | 56.6 | 19% | 0.188 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -134.5 | 123.4 | 175 | 174.8 | 0 | 0 | 0 | 0 | 108.9 | P92 C95 L146 I147 N150 | P92-V152 HydrophobicContact CG-CG2 4.34Å; C95-V152 WeakPolarHBondContact SG-CG2 3.4Å; L146-V152 HydrophobicContact CB-CB 4.36Å; L146-V152 HydrophobicContact CB-CG2 3.95Å; L146-V152 HydrophobicContact CD1-CG2 4.27Å; L146-V152 PolarHBondContact O-N 3.28Å; I147-V152 HydrophobicContact CG1-CB 4.38Å; N150-V152 VanDerWaalsContact C-N 3.31Å |
| 153 | S | 87.3 | Confident | 92.1 | Very high | 88 Ų | 88 | 57.3 Ų | 57.3 | 62% | 0.615 | 32% | 0.316 | S | S | * | . | P | Polyproline II helix | trans | -91.6 | 132.3 | 170.5 | 58.1 | 0 | 0 | 0 | 0 | 111.2 | ||
| 154 | I | 89.6 | Confident | 91.8 | Very high | 77 Ų | 77 | 60.7 Ų | 60.7 | 40% | 0.395 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 128.9 | 171.5 | -59.9 | 174.8 | 0 | 0 | 0 | 109 | I147 K179 | I147-I154 HydrophobicContact CD1-CD1 4.28Å; I147-I154 HydrophobicContact CD1-CG1 4.25Å; I147-I154 HydrophobicContact CG2-CD1 4.35Å; I154-K179 WeakPolarHBondContact CG2-O 3.46Å |
| 155 | P | 92.9 | Very high | 91.7 | Very high | 14 Ų | 14 | 61.1 Ų | 61.1 | 9% | 0.091 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 137.3 | 174.1 | -24 | 35.4 | 0 | 0 | 0 | 112.3 | V157 G180 A181 W256 W266 | P155-V157 HydrophobicContact CB-CG2 4.2Å; P155-G180 WeakPolarHBondContact O-CA 3.42Å; P155-A181 PolarHBondContact O-N 2.91Å; P155-W256 HydrophobicContact CB-CH2 3.98Å; P155-W256 HydrophobicContact CG-CH2 4.24Å; P155-W266 HydrophobicContact CB-CH2 4.34Å; P155-W266 HydrophobicContact CB-CZ3 4.48Å; P155-W266 HydrophobicContact CG-CD2 3.96Å; P155-W266 HydrophobicContact CG-CE3 4.11Å; P155-W266 HydrophobicContact CG-CH2 4.14Å; P155-W266 HydrophobicContact CG-CZ2 3.99Å; P155-W266 HydrophobicContact CG-CZ3 4.2Å |
| 156 | V | 94.8 | Very high | 91.5 | Very high | 39 Ų | 39 | 68.5 Ų | 68.5 | 24% | 0.236 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 113.7 | 170.6 | -172 | 0 | 0 | 0 | 0 | 106.7 | A181 T183 A189 T190 H191 | V156-A181 WeakPolarHBondContact CA-O 3.38Å; V156-A181 HydrophobicContact CG1-CB 4.29Å; V156-A181 HydrophobicContact CG2-CB 4.26Å; V156-T183 HydrophobicContact CG1-CG2 3.86Å; V156-A189 CarbonylContact O-C 3.56Å; V156-T190 HydrophobicContact CB-CG2 4.46Å; V156-T190 PolarHBondContact N-OG1 3.45Å; V156-T190 PolarHBondContact O-N 3.27Å; V156-T190 PolarHBondContact O-OG1 2.87Å; V156-H191 PolarHBondContact O-N 3.32Å |
| 157 | V | 95.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 126.2 | -165.8 | -173.1 | 0 | 0 | 0 | 0 | 111 | P155 I159 I175 A181 I182 T183 H191 V193 W256 | P155-V157 HydrophobicContact CB-CG2 4.2Å; V157-I159 HydrophobicContact CG1-CG1 4.36Å; V157-I175 HydrophobicContact CB-CD1 3.96Å; V157-I175 HydrophobicContact CB-CG2 4.43Å; V157-I175 HydrophobicContact CG1-CD1 3.72Å; V157-I175 HydrophobicContact CG2-CD1 4.23Å; V157-I175 HydrophobicContact CG2-CG1 4.35Å; V157-I175 HydrophobicContact CG2-CG2 4.09Å; V157-A181 PolarHBondContact N-O 3.02Å; V157-I182 WeakPolarHBondContact O-CA 3.2Å; V157-T183 PolarHBondContact O-N 3.14Å; V157-H191 HydrophobicContact CG2-CB 4.46Å; V157-V193 HydrophobicContact CG1-CB 4.28Å; V157-V193 HydrophobicContact CG1-CG2 3.5Å; V157-V193 VanDerWaalsContact CG1-CG2 3.5Å; V157-W256 HydrophobicContact CG2-CZ3 4.15Å |
| 158 | F | 95.3 | Very high | 91.5 | Very high | 29 Ų | 29 | 68.7 Ų | 68.7 | 13% | 0.127 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 125.4 | 163.7 | 171.2 | -97 | 0 | 0 | 0 | 108.3 | P161 T183 E184 A189 H191 H192 V193 | F158-P161 HydrophobicContact CZ-CG 4.47Å; F158-T183 HydrophobicContact CB-CG2 4.31Å; F158-E184 WeakPolarHBondContact CD2-O 3.47Å; F158-E184 VanDerWaalsContact CE2-O 3.28Å; F158-E184 WeakPolarHBondContact CE2-O 3.17Å; F158-A189 HydrophobicContact CB-CB 3.62Å; F158-H191 PolarHBondContact N-O 3.42Å; F158-H192 AromaticContact CD1-CD2 3.95Å; F158-H192 WeakPolarHBondContact O-CA 3.19Å; F158-V193 PolarHBondContact O-N 3.2Å |
| 159 | I | 94.4 | Very high | 91.5 | Very high | 23 Ų | 23 | 65.3 Ų | 65.3 | 12% | 0.118 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 125.2 | 175.4 | -56.8 | 175.1 | 0 | 0 | 0 | 107.6 | V157 V163 L171 I175 | V157-I159 HydrophobicContact CG1-CG1 4.36Å; I159-V163 HydrophobicContact CG2-CB 3.97Å; I159-V163 HydrophobicContact CG2-CG1 4.22Å; I159-V163 HydrophobicContact CG2-CG2 3.93Å; I159-L171 HydrophobicContact CD1-CB 3.91Å; I159-L171 HydrophobicContact CG2-CD1 4.34Å; I159-I175 HydrophobicContact CD1-CD1 4.15Å; I159-I175 HydrophobicContact CG1-CD1 4.43Å |
| 160 | D | 91.4 | Very high | 91.6 | Very high | 29 Ų | 29 | 68.1 Ų | 68.1 | 16% | 0.155 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 136.3 | -175.8 | -175.9 | -88.7 | 0 | 0 | 0 | 111.9 | T162 V163 V193 Y194 | D160-T162 PolarHBondContact O-N 3.23Å; D160-T162 VanDerWaalsContact OD1-CB 3.25Å; D160-T162 WeakPolarHBondContact OD1-CB 3.3Å; D160-T162 WeakPolarHBondContact OD1-CG2 3.48Å; D160-T162 PolarHBondContact OD1-N 3.23Å; D160-T162 PolarHBondContact OD1-OG1 3.22Å; D160-V163 HydrophobicContact CB-CG2 4.5Å; D160-V163 WeakPolarHBondContact O-CB 3.21Å; D160-V163 VanDerWaalsContact O-CG2 3.32Å; D160-V163 WeakPolarHBondContact O-CG2 3.4Å; D160-V163 PolarHBondContact O-N 3.35Å; D160-V193 WeakPolarHBondContact CB-O 3.35Å; D160-V193 PolarHBondContact N-O 3.01Å; D160-Y194 HydrophobicContact CB-CD1 3.59Å; D160-Y194 HydrophobicContact CB-CE1 3.79Å; D160-Y194 HydrophobicContact CB-CG 4.4Å; D160-Y194 VanDerWaalsContact OD2-CE1 3.27Å; D160-Y194 WeakPolarHBondContact OD2-CE1 3.04Å |
| 161 | P | 89 | Confident | 91.8 | Very high | 112 Ų | 112 | 61 Ų | 61 | 73% | 0.727 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -9 | -179.4 | -26.2 | 35.5 | 0 | 0 | 0 | 116.3 | F158 V163 | F158-P161 HydrophobicContact CZ-CG 4.47Å; P161-V163 VanDerWaalsContact C-N 3.33Å |
| 162 | T | 86.8 | Confident | 92.1 | Very high | 106 Ų | 106 | 61.7 Ų | 61.7 | 65% | 0.65 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -7.8 | 172 | 64.9 | 0 | 0 | 0 | 0 | 113.9 | D160 | D160-T162 PolarHBondContact O-N 3.23Å; D160-T162 VanDerWaalsContact OD1-CB 3.25Å; D160-T162 WeakPolarHBondContact OD1-CB 3.3Å; D160-T162 WeakPolarHBondContact OD1-CG2 3.48Å; D160-T162 PolarHBondContact OD1-N 3.23Å; D160-T162 PolarHBondContact OD1-OG1 3.22Å |
| 163 | V | 88.8 | Confident | 92.4 | Very high | 15 Ų | 15 | 62.2 Ų | 62.2 | 9% | 0.091 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -73 | 134 | 173.2 | -178.2 | 0 | 0 | 0 | 0 | 110 | I159 D160 P161 L167 L171 | I159-V163 HydrophobicContact CG2-CB 3.97Å; I159-V163 HydrophobicContact CG2-CG1 4.22Å; I159-V163 HydrophobicContact CG2-CG2 3.93Å; D160-V163 HydrophobicContact CB-CG2 4.5Å; D160-V163 WeakPolarHBondContact O-CB 3.21Å; D160-V163 VanDerWaalsContact O-CG2 3.32Å; D160-V163 WeakPolarHBondContact O-CG2 3.4Å; D160-V163 PolarHBondContact O-N 3.35Å; P161-V163 VanDerWaalsContact C-N 3.33Å; V163-L167 HydrophobicContact CG1-CB 4.13Å; V163-L167 HydrophobicContact CG1-CD2 4.05Å; V163-L167 HydrophobicContact CG1-CG 3.97Å; V163-L171 HydrophobicContact CG1-CD1 3.98Å |
| 164 | D | 90.1 | Very high | 92.8 | Very high | 102 Ų | 102 | 58.4 Ų | 58.4 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | trans | -57.5 | 147.9 | 176.3 | 173.1 | 69 | 0 | 0 | 0 | 112.6 | E166 L167 S168 | D164-E166 PolarHBondContact O-N 3.44Å; D164-E166 WeakPolarHBondContact OD2-CB 3.06Å; D164-E166 PolarHBondContact OD2-N 2.76Å; D164-L167 HydrophobicContact CB-CB 4.44Å; D164-L167 PolarHBondContact O-N 3.15Å; D164-L167 PolarHBondContact OD2-N 3.26Å; D164-S168 WeakPolarHBondContact O-CB 3.28Å; D164-S168 PolarHBondContact O-N 3.36Å | ||
| 165 | L | 90.8 | Very high | 93 | Very high | 142 Ų | 142 | 54.7 Ų | 54.7 | 74% | 0.743 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -67.7 | -33.6 | -172.8 | -171.7 | 63.1 | 0 | 0 | 0 | 113.6 | S169 | L165-S169 WeakPolarHBondContact O-CB 3.3Å; L165-S169 PolarHBondContact O-N 3.08Å; L165-S169 VanDerWaalsContact O-N 3.08Å |
| 166 | E | 92.6 | Very high | 93.1 | Very high | 166 Ų | 166 | 59.1 Ų | 59.1 | 78% | 0.776 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -69.1 | -43.1 | 175.1 | -170.1 | 179.5 | 155.9 | 0 | 0 | 110.1 | D164 R170 | D164-E166 PolarHBondContact O-N 3.44Å; D164-E166 WeakPolarHBondContact OD2-CB 3.06Å; D164-E166 PolarHBondContact OD2-N 2.76Å; E166-R170 PolarHBondContact O-N 3.18Å |
| 167 | L | 92.8 | Very high | 93 | Very high | 31 Ų | 31 | 62 Ų | 62 | 16% | 0.162 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 176 | -178.1 | 56.2 | 0 | 0 | 0 | 112.1 | V163 D164 S169 R170 L171 P196 A254 L258 | V163-L167 HydrophobicContact CG1-CB 4.13Å; V163-L167 HydrophobicContact CG1-CD2 4.05Å; V163-L167 HydrophobicContact CG1-CG 3.97Å; D164-L167 HydrophobicContact CB-CB 4.44Å; D164-L167 PolarHBondContact O-N 3.15Å; D164-L167 PolarHBondContact OD2-N 3.26Å; L167-S169 VanDerWaalsContact C-N 3.33Å; L167-S169 PolarHBondContact O-N 3.08Å; L167-R170 WeakPolarHBondContact O-CB 3.38Å; L167-R170 PolarHBondContact O-N 2.81Å; L167-R170 VanDerWaalsContact O-N 3.13Å; L167-L171 HydrophobicContact CD1-CD1 4.31Å; L167-L171 HydrophobicContact CD1-CD2 4.5Å; L167-L171 HydrophobicContact CD1-CG 4.08Å; L167-L171 HydrophobicContact CG-CD1 3.94Å; L167-L171 HydrophobicContact CG-CG 4.23Å; L167-L171 WeakPolarHBondContact O-CB 3.47Å; L167-L171 VanDerWaalsContact O-CG 3.24Å; L167-L171 WeakPolarHBondContact O-CG 3.21Å; L167-L171 PolarHBondContact O-N 3.4Å; L167-P196 HydrophobicContact CD2-CG 3.96Å; L167-A254 HydrophobicContact CD2-CB 4.31Å; L167-L258 HydrophobicContact CD1-CD1 4.37Å; L167-L258 HydrophobicContact CD1-CD2 4.24Å |
| 168 | S | 93.2 | Very high | 92.9 | Very high | 29 Ų | 29 | 62.2 Ų | 62.2 | 20% | 0.203 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.7 | -40.9 | 177.6 | -177.6 | 0 | 0 | 0 | 0 | 112.1 | D164 L171 T172 | D164-S168 WeakPolarHBondContact O-CB 3.28Å; D164-S168 PolarHBondContact O-N 3.36Å; S168-L171 PolarHBondContact O-N 2.69Å; S168-T172 VanDerWaalsContact O-CB 3.27Å; S168-T172 WeakPolarHBondContact O-CB 3.36Å; S168-T172 PolarHBondContact O-N 2.9Å; S168-T172 PolarHBondContact O-OG1 2.87Å |
| 169 | S | 94.5 | Very high | 92.7 | Very high | 82 Ų | 82 | 65.3 Ų | 65.3 | 57% | 0.573 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61.8 | -43.6 | 171.9 | -175.9 | 0 | 0 | 0 | 0 | 112.3 | L165 L167 T172 G173 | L165-S169 WeakPolarHBondContact O-CB 3.3Å; L165-S169 PolarHBondContact O-N 3.08Å; L165-S169 VanDerWaalsContact O-N 3.08Å; L167-S169 VanDerWaalsContact C-N 3.33Å; L167-S169 PolarHBondContact O-N 3.08Å; S169-T172 WeakPolarHBondContact O-CB 3.47Å; S169-T172 PolarHBondContact O-N 3.02Å; S169-G173 PolarHBondContact O-N 3.44Å |
| 170 | R | 95.3 | Very high | 92.6 | Very high | 135 Ų | 135 | 64.6 Ų | 64.6 | 51% | 0.509 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.1 | -46.4 | 175.5 | -178.7 | 178.8 | 173.5 | -157.6 | -7.1 | 112.4 | E166 L167 T172 G173 I174 L258 | E166-R170 PolarHBondContact O-N 3.18Å; L167-R170 WeakPolarHBondContact O-CB 3.38Å; L167-R170 PolarHBondContact O-N 2.81Å; L167-R170 VanDerWaalsContact O-N 3.13Å; R170-T172 VanDerWaalsContact C-N 3.34Å; R170-T172 PolarHBondContact O-N 2.93Å; R170-G173 PolarHBondContact O-N 3.43Å; R170-I174 HydrophobicContact CG-CD1 4.05Å; R170-I174 WeakPolarHBondContact O-CG1 3.3Å; R170-I174 PolarHBondContact O-N 2.96Å; R170-I174 VanDerWaalsContact O-N 3.09Å; R170-L258 VanDerWaalsContact CZ-CD2 3.46Å |
| 171 | L | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.8 | -46.4 | 177.1 | -69.3 | 168.5 | 0 | 0 | 0 | 110.6 | I159 V163 L167 S168 G173 I174 I175 V193 A254 V257 L258 | I159-L171 HydrophobicContact CD1-CB 3.91Å; I159-L171 HydrophobicContact CG2-CD1 4.34Å; V163-L171 HydrophobicContact CG1-CD1 3.98Å; L167-L171 HydrophobicContact CD1-CD1 4.31Å; L167-L171 HydrophobicContact CD1-CD2 4.5Å; L167-L171 HydrophobicContact CD1-CG 4.08Å; L167-L171 HydrophobicContact CG-CD1 3.94Å; L167-L171 HydrophobicContact CG-CG 4.23Å; L167-L171 WeakPolarHBondContact O-CB 3.47Å; L167-L171 VanDerWaalsContact O-CG 3.24Å; L167-L171 WeakPolarHBondContact O-CG 3.21Å; L167-L171 PolarHBondContact O-N 3.4Å; S168-L171 PolarHBondContact O-N 2.69Å; L171-G173 PolarHBondContact O-N 2.91Å; L171-I174 PolarHBondContact O-N 2.91Å; L171-I174 VanDerWaalsContact O-N 3.15Å; L171-I175 WeakPolarHBondContact O-CD1 2.93Å; L171-I175 VanDerWaalsContact O-CG1 3.26Å; L171-I175 WeakPolarHBondContact O-CG1 3.43Å; L171-I175 PolarHBondContact O-N 3.43Å; L171-V193 HydrophobicContact CD1-CG1 4.16Å; L171-A254 HydrophobicContact CD1-CB 4.14Å; L171-A254 HydrophobicContact CD2-CB 4.16Å; L171-V257 HydrophobicContact CB-CG1 4.42Å; L171-V257 HydrophobicContact CD2-CB 3.55Å; L171-V257 HydrophobicContact CD2-CG1 3.65Å; L171-V257 HydrophobicContact CD2-CG2 4.19Å; L171-L258 HydrophobicContact CD2-CD2 4.42Å; L171-L258 HydrophobicContact CD2-CG 4.18Å |
| 172 | T | 94.9 | Very high | 93 | Very high | 46 Ų | 46 | 63.3 Ų | 63.3 | 28% | 0.282 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -53.3 | -49.1 | 174.3 | -68.5 | 0 | 0 | 0 | 0 | 112 | S168 S169 R170 I174 I175 I176 I182 | S168-T172 VanDerWaalsContact O-CB 3.27Å; S168-T172 WeakPolarHBondContact O-CB 3.36Å; S168-T172 PolarHBondContact O-N 2.9Å; S168-T172 PolarHBondContact O-OG1 2.87Å; S169-T172 WeakPolarHBondContact O-CB 3.47Å; S169-T172 PolarHBondContact O-N 3.02Å; R170-T172 VanDerWaalsContact C-N 3.34Å; R170-T172 PolarHBondContact O-N 2.93Å; T172-I174 VanDerWaalsContact C-N 3.33Å; T172-I174 PolarHBondContact O-N 3.44Å; T172-I175 PolarHBondContact O-N 2.97Å; T172-I176 HydrophobicContact CG2-CD1 3.9Å; T172-I176 WeakPolarHBondContact O-CG1 2.74Å; T172-I176 PolarHBondContact O-N 3.43Å; T172-I176 VanDerWaalsContact O-N 3.12Å; T172-I182 HydrophobicContact CG2-CD1 3.66Å |
| 173 | G | 95.2 | Very high | 93.3 | Very high | 42 Ų | 42 | 59.3 Ų | 59.3 | 43% | 0.433 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.4 | -38.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S169 R170 L171 K177 | S169-G173 PolarHBondContact O-N 3.44Å; R170-G173 PolarHBondContact O-N 3.43Å; L171-G173 PolarHBondContact O-N 2.91Å; G173-K177 WeakPolarHBondContact O-CB 3.25Å; G173-K177 PolarHBondContact O-N 3.02Å |
| 174 | I | 95.6 | Very high | 93.3 | Very high | 7 Ų | 7 | 67.3 Ų | 67.3 | 4% | 0.036 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -69 | -48.2 | 176.9 | -64.7 | 163.1 | 0 | 0 | 0 | 110.9 | R170 L171 T172 I176 K177 H178 V257 L258 D261 | R170-I174 HydrophobicContact CG-CD1 4.05Å; R170-I174 WeakPolarHBondContact O-CG1 3.3Å; R170-I174 PolarHBondContact O-N 2.96Å; R170-I174 VanDerWaalsContact O-N 3.09Å; L171-I174 PolarHBondContact O-N 2.91Å; L171-I174 VanDerWaalsContact O-N 3.15Å; T172-I174 VanDerWaalsContact C-N 3.33Å; T172-I174 PolarHBondContact O-N 3.44Å; I174-I176 VanDerWaalsContact C-N 3.3Å; I174-I176 PolarHBondContact O-N 3.48Å; I174-K177 WeakPolarHBondContact O-CB 3.32Å; I174-K177 PolarHBondContact O-N 2.92Å; I174-K177 VanDerWaalsContact O-N 3.15Å; I174-H178 PolarHBondContact O-CD2 3.36Å; I174-H178 PolarHBondContact O-N 3.31Å; I174-V257 HydrophobicContact CB-CG1 3.79Å; I174-V257 HydrophobicContact CD1-CG1 4.37Å; I174-V257 HydrophobicContact CG2-CG1 3.6Å; I174-V257 WeakPolarHBondContact CG2-O 3.47Å; I174-L258 HydrophobicContact CD1-CD2 4.16Å; I174-D261 HydrophobicContact CD1-CB 3.89Å; I174-D261 HydrophobicContact CG1-CB 3.97Å; I174-D261 HydrophobicContact CG2-CB 3.83Å |
| 175 | I | 95.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -57.5 | -45.6 | -179 | -66 | 156.6 | 0 | 0 | 0 | 110.2 | V157 I159 L171 T172 H178 K179 G180 I182 V257 W266 | V157-I175 HydrophobicContact CB-CD1 3.96Å; V157-I175 HydrophobicContact CB-CG2 4.43Å; V157-I175 HydrophobicContact CG1-CD1 3.72Å; V157-I175 HydrophobicContact CG2-CD1 4.23Å; V157-I175 HydrophobicContact CG2-CG1 4.35Å; V157-I175 HydrophobicContact CG2-CG2 4.09Å; I159-I175 HydrophobicContact CD1-CD1 4.15Å; I159-I175 HydrophobicContact CG1-CD1 4.43Å; L171-I175 WeakPolarHBondContact O-CD1 2.93Å; L171-I175 VanDerWaalsContact O-CG1 3.26Å; L171-I175 WeakPolarHBondContact O-CG1 3.43Å; L171-I175 PolarHBondContact O-N 3.43Å; T172-I175 PolarHBondContact O-N 2.97Å; I175-H178 CarbonylContact O-C 3.53Å; I175-H178 PolarHBondContact O-N 3.37Å; I175-K179 PolarHBondContact O-N 2.95Å; I175-G180 PolarHBondContact O-N 3.39Å; I175-I182 HydrophobicContact CB-CD1 4.19Å; I175-I182 HydrophobicContact CB-CG1 4.2Å; I175-I182 HydrophobicContact CD1-CD1 4.44Å; I175-I182 HydrophobicContact CD1-CG1 4.37Å; I175-I182 HydrophobicContact CG2-CD1 4.16Å; I175-I182 HydrophobicContact CG2-CG1 3.66Å; I175-V257 HydrophobicContact CD1-CG1 4.39Å; I175-V257 HydrophobicContact CD1-CG2 4.39Å; I175-V257 HydrophobicContact CG1-CG1 3.83Å; I175-V257 HydrophobicContact CG1-CG2 4.25Å; I175-W266 HydrophobicContact CG2-CH2 4.49Å |
| 176 | I | 94.4 | Very high | 93 | Very high | 107 Ų | 107 | 62.6 Ų | 62.6 | 55% | 0.549 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 177.6 | -65.7 | 168 | 0 | 0 | 0 | 111.6 | T172 I174 H178 K179 I182 | T172-I176 HydrophobicContact CG2-CD1 3.9Å; T172-I176 WeakPolarHBondContact O-CG1 2.74Å; T172-I176 PolarHBondContact O-N 3.43Å; T172-I176 VanDerWaalsContact O-N 3.12Å; I174-I176 VanDerWaalsContact C-N 3.3Å; I174-I176 PolarHBondContact O-N 3.48Å; I176-H178 VanDerWaalsContact C-N 3.25Å; I176-H178 PolarHBondContact O-N 3.4Å; I176-K179 PolarHBondContact O-N 3.23Å; I176-I182 HydrophobicContact CD1-CD1 4.11Å; I176-I182 HydrophobicContact CG1-CD1 3.98Å |
| 177 | K | 92.9 | Very high | 92.8 | Very high | 100 Ų | 100 | 62.7 Ų | 62.7 | 44% | 0.435 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -55.4 | -40.9 | 174.8 | 176 | -160.2 | 173.9 | -150.4 | 0 | 111.6 | G173 I174 K179 D261 | G173-K177 WeakPolarHBondContact O-CB 3.25Å; G173-K177 PolarHBondContact O-N 3.02Å; I174-K177 WeakPolarHBondContact O-CB 3.32Å; I174-K177 PolarHBondContact O-N 2.92Å; I174-K177 VanDerWaalsContact O-N 3.15Å; K177-K179 VanDerWaalsContact C-N 3.31Å; K177-K179 PolarHBondContact O-N 2.83Å; K177-D261 IonicContact NZ-OD1 2.67Å; K177-D261 PolarHBondContact NZ-OD1 2.86Å |
| 178 | H | 93.3 | Very high | 92.5 | Very high | 4 Ų | 4 | 67 Ų | 67 | 2% | 0.019 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 18.1 | 179.2 | -64 | -75 | 0 | 0 | 0 | 114 | T89 I174 I175 I176 G180 T260 D261 N264 W266 | T89-H178 HydrophobicContact CG2-CB 4.5Å; T89-H178 WeakPolarHBondContact CG2-ND1 3.49Å; T89-H178 PolarHBondContact OG1-ND1 3.18Å; I174-H178 PolarHBondContact O-CD2 3.36Å; I174-H178 PolarHBondContact O-N 3.31Å; I175-H178 CarbonylContact O-C 3.53Å; I175-H178 PolarHBondContact O-N 3.37Å; I176-H178 VanDerWaalsContact C-N 3.25Å; I176-H178 PolarHBondContact O-N 3.4Å; H178-G180 PolarHBondContact O-N 3.32Å; H178-G180 VanDerWaalsContact O-N 3.17Å; H178-T260 HydrophobicContact CB-CG2 4.38Å; H178-T260 PolarHBondContact CE1-O 3.32Å; H178-T260 VanDerWaalsContact NE2-C 3.29Å; H178-T260 PolarHBondContact NE2-O 2.98Å; H178-D261 WeakPolarHBondContact NE2-CA 3.47Å; H178-D261 WeakPolarHBondContact NE2-CB 3.48Å; H178-D261 PolarHBondContact NE2-N 3.43Å; H178-D261 VanDerWaalsContact NE2-N 3.12Å; H178-D261 IonicContact NE2-OD1 3.2Å; H178-D261 PolarHBondContact NE2-OD1 3.32Å; H178-D261 VanDerWaalsContact NE2-OD1 3.15Å; H178-N264 WeakPolarHBondContact CE1-CA 3.47Å; H178-N264 VanDerWaalsContact CE1-CB 3.43Å; H178-N264 WeakPolarHBondContact CE1-CB 3.33Å; H178-N264 PolarHBondContact CE1-OD1 2.94Å; H178-W266 HydrophobicContact CB-CH2 4.28Å; H178-W266 HydrophobicContact CB-CZ2 3.55Å; H178-W266 WeakPolarHBondContact O-CZ2 3.32Å; H178-W266 PolarHBondContact O-NE1 3.15Å |
| 179 | K | 91.6 | Very high | 92.5 | Very high | 93 Ų | 93 | 66.1 Ų | 66.1 | 40% | 0.404 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 15.6 | 175.2 | -52.4 | 171.7 | -171.1 | 158.9 | 0 | 115.4 | E143 I154 I175 I176 K177 | E143-K179 WeakPolarHBondContact OE1-CD 3.47Å; E143-K179 IonicContact OE1-NZ 2.91Å; E143-K179 PolarHBondContact OE1-NZ 3.02Å; E143-K179 IonicContact OE2-NZ 3.84Å; E143-K179 PolarHBondContact OE2-NZ 3.35Å; I154-K179 WeakPolarHBondContact CG2-O 3.46Å; I175-K179 PolarHBondContact O-N 2.95Å; I176-K179 PolarHBondContact O-N 3.23Å; K177-K179 VanDerWaalsContact C-N 3.31Å; K177-K179 PolarHBondContact O-N 2.83Å |
| 180 | G | 92 | Very high | 92.4 | Very high | 9 Ų | 9 | 64.1 Ų | 64.1 | 9% | 0.093 | 34% | 0.339 | C | S | . | . | trans | -67.2 | 149.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | P155 I175 H178 | P155-G180 WeakPolarHBondContact O-CA 3.42Å; I175-G180 PolarHBondContact O-N 3.39Å; H178-G180 PolarHBondContact O-N 3.32Å; H178-G180 VanDerWaalsContact O-N 3.17Å | ||
| 181 | A | 93.9 | Very high | 92.3 | Very high | 44 Ų | 44 | 58.1 Ų | 58.1 | 36% | 0.364 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 152.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | P155 V156 V157 | P155-A181 PolarHBondContact O-N 2.91Å; V156-A181 WeakPolarHBondContact CA-O 3.38Å; V156-A181 HydrophobicContact CG1-CB 4.29Å; V156-A181 HydrophobicContact CG2-CB 4.26Å; V157-A181 PolarHBondContact N-O 3.02Å |
| 182 | I | 93.9 | Very high | 92.2 | Very high | 70 Ų | 70 | 59 Ų | 59 | 36% | 0.359 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 141.1 | 173.9 | -61.4 | 172.6 | 0 | 0 | 0 | 107.6 | V157 T172 I175 I176 | V157-I182 WeakPolarHBondContact O-CA 3.2Å; T172-I182 HydrophobicContact CG2-CD1 3.66Å; I175-I182 HydrophobicContact CB-CD1 4.19Å; I175-I182 HydrophobicContact CB-CG1 4.2Å; I175-I182 HydrophobicContact CD1-CD1 4.44Å; I175-I182 HydrophobicContact CD1-CG1 4.37Å; I175-I182 HydrophobicContact CG2-CD1 4.16Å; I175-I182 HydrophobicContact CG2-CG1 3.66Å; I176-I182 HydrophobicContact CD1-CD1 4.11Å; I176-I182 HydrophobicContact CG1-CD1 3.98Å |
| 183 | T | 92.6 | Very high | 92.2 | Very high | 21 Ų | 21 | 56.8 Ų | 56.8 | 13% | 0.129 | 31% | 0.307 | C | S | . | . | trans | -135.1 | 143 | 176.4 | -170.7 | 0 | 0 | 0 | 0 | 111.2 | V156 V157 F158 D185 A189 | V156-T183 HydrophobicContact CG1-CG2 3.86Å; V157-T183 PolarHBondContact O-N 3.14Å; F158-T183 HydrophobicContact CB-CG2 4.31Å; T183-D185 WeakPolarHBondContact CG2-O 3.49Å; T183-D185 PolarHBondContact OG1-N 3.05Å; T183-A189 HydrophobicContact CG2-CB 3.81Å | ||
| 184 | E | 88.7 | Confident | 92 | Very high | 184 Ų | 184 | 55.6 Ų | 55.6 | 86% | 0.86 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -82.5 | -21.8 | 169.3 | -62 | -177.9 | -177 | 0 | 0 | 111 | F158 S186 | F158-E184 WeakPolarHBondContact CD2-O 3.47Å; F158-E184 VanDerWaalsContact CE2-O 3.28Å; F158-E184 WeakPolarHBondContact CE2-O 3.17Å; E184-S186 PolarHBondContact O-N 3.25Å |
| 185 | D | 87.2 | Confident | 91.6 | Very high | 96 Ų | 96 | 56.1 Ų | 56.1 | 51% | 0.513 | 30% | 0.297 | S | S | . | . | trans | -86.5 | 100.9 | 177.9 | -75.4 | -54.9 | 0 | 0 | 0 | 111.5 | T183 I187 M188 | T183-D185 WeakPolarHBondContact CG2-O 3.49Å; T183-D185 PolarHBondContact OG1-N 3.05Å; D185-I187 PolarHBondContact O-N 3.5Å; D185-M188 HydrophobicContact CB-CB 4.38Å; D185-M188 HydrophobicContact CB-CE 3.66Å; D185-M188 HydrophobicContact CB-CG 4.34Å; D185-M188 PolarHBondContact O-N 3.11Å; D185-M188 VanDerWaalsContact OD2-CE 3.29Å; D185-M188 WeakPolarHBondContact OD2-CE 3.37Å | ||
| 186 | S | 88.1 | Confident | 90.8 | Very high | 48 Ų | 48 | 59.9 Ų | 59.9 | 34% | 0.336 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.4 | -29.6 | 176.8 | -174 | 0 | 0 | 0 | 0 | 114.3 | E184 H192 | E184-S186 PolarHBondContact O-N 3.25Å; S186-H192 PolarHBondContact O-NE2 3.32Å; S186-H192 PolarHBondContact OG-CE1 3.11Å; S186-H192 PolarHBondContact OG-NE2 3.14Å; S186-H192 VanDerWaalsContact OG-NE2 3.12Å |
| 187 | I | 87.9 | Confident | 90 | Very high | 168 Ų | 168 | 57.3 Ų | 57.3 | 86% | 0.862 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -30 | 179.6 | -56.7 | 174.2 | 0 | 0 | 0 | 112.4 | D185 | D185-I187 PolarHBondContact O-N 3.5Š|
| 188 | M | 88.1 | Confident | 88.5 | Confident | 123 Ų | 123 | 57.1 Ų | 57.1 | 61% | 0.606 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -6.2 | 179.3 | -68.6 | -162.1 | -75.1 | 0 | 0 | 113.5 | D185 | D185-M188 HydrophobicContact CB-CB 4.38Å; D185-M188 HydrophobicContact CB-CE 3.66Å; D185-M188 HydrophobicContact CB-CG 4.34Å; D185-M188 PolarHBondContact O-N 3.11Å; D185-M188 VanDerWaalsContact OD2-CE 3.29Å; D185-M188 WeakPolarHBondContact OD2-CE 3.37Å |
| 189 | A | 91.5 | Very high | 86.5 | Confident | 10 Ų | 10 | 62.6 Ų | 62.6 | 8% | 0.083 | 36% | 0.364 | C | S | . | . | trans | -75.4 | 146.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V156 F158 T183 | V156-A189 CarbonylContact O-C 3.56Å; F158-A189 HydrophobicContact CB-CB 3.62Å; T183-A189 HydrophobicContact CG2-CB 3.81Å | ||
| 190 | T | 92.4 | Very high | 84.7 | Confident | 39 Ų | 39 | 62.5 Ų | 62.5 | 24% | 0.239 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -91.9 | -20.1 | 162.9 | 58.3 | 0 | 0 | 0 | 0 | 112.1 | V156 P249 W250 | V156-T190 HydrophobicContact CB-CG2 4.46Å; V156-T190 PolarHBondContact N-OG1 3.45Å; V156-T190 PolarHBondContact O-N 3.27Å; V156-T190 PolarHBondContact O-OG1 2.87Å; T190-P249 WeakPolarHBondContact O-CA 3.35Å; T190-P249 WeakPolarHBondContact O-CB 3.44Å; T190-W250 PolarHBondContact O-N 3.39Å |
| 191 | H | 93.7 | Very high | 82.7 | Confident | 10 Ų | 10 | 70.9 Ų | 70.9 | 5% | 0.046 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 134.5 | 179.7 | -58.6 | 72.3 | 0 | 0 | 0 | 111.5 | V156 V157 F158 W250 W256 E269 | V156-H191 PolarHBondContact O-N 3.32Å; V157-H191 HydrophobicContact CG2-CB 4.46Å; F158-H191 PolarHBondContact N-O 3.42Å; H191-W250 CarbonylContact C-O 3.57Å; H191-W250 WeakPolarHBondContact CA-O 3.48Å; H191-W250 AromaticContact CD2-CD1 3.84Å; H191-W250 AromaticContact CE1-CD1 4Å; H191-W250 AromaticContact NE2-CD1 3.47Å; H191-W256 HydrophobicContact CB-CH2 4.36Å; H191-W256 HydrophobicContact CB-CZ3 4.14Å; H191-W256 AromaticContact CD2-CH2 3.32Å; H191-W256 WeakPolarHBondContact CD2-CH2 3.27Å; H191-W256 AromaticContact CD2-CZ2 3.48Å; H191-W256 VanDerWaalsContact CD2-CZ2 3.48Å; H191-W256 WeakPolarHBondContact CD2-CZ2 3.17Å; H191-W256 AromaticContact CD2-CZ3 3.76Å; H191-W256 AromaticContact CE1-CH2 3.92Å; H191-W256 AromaticContact CG-CH2 3.67Å; H191-W256 AromaticContact CG-CZ3 3.94Å; H191-W256 AromaticContact NE2-CH2 3.51Å; H191-W256 AromaticContact NE2-CZ2 3.39Å; H191-W256 WeakPolarHBondContact NE2-CZ2 3.36Å; H191-E269 WeakPolarHBondContact NE2-CG 3.31Å; H191-E269 IonicContact NE2-OE1 2.66Å |
| 192 | H | 93.5 | Very high | 81 | Confident | 18 Ų | 18 | 74.9 Ų | 74.9 | 8% | 0.083 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 119.1 | 168.2 | -67.3 | -179 | 0 | 0 | 0 | 108.9 | F158 S186 Y194 P249 W250 R251 V252 | F158-H192 AromaticContact CD1-CD2 3.95Å; F158-H192 WeakPolarHBondContact O-CA 3.19Å; S186-H192 PolarHBondContact O-NE2 3.32Å; S186-H192 PolarHBondContact OG-CE1 3.11Å; S186-H192 PolarHBondContact OG-NE2 3.14Å; S186-H192 VanDerWaalsContact OG-NE2 3.12Å; H192-Y194 HydrophobicContact CB-CE2 3.83Å; H192-P249 VanDerWaalsContact CE1-CG 3.44Å; H192-P249 WeakPolarHBondContact CE1-CG 3.21Å; H192-P249 WeakPolarHBondContact NE2-CG 3.28Å; H192-W250 PolarHBondContact N-O 3.23Å; H192-R251 HydrophobicContact CB-CG 4.5Å; H192-V252 PolarHBondContact O-N 3.48Å |
| 193 | V | 93.7 | Very high | 79.9 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 113.7 | -176.9 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | V157 F158 D160 L171 V252 A254 W256 V257 | V157-V193 HydrophobicContact CG1-CB 4.28Å; V157-V193 HydrophobicContact CG1-CG2 3.5Å; V157-V193 VanDerWaalsContact CG1-CG2 3.5Å; F158-V193 PolarHBondContact O-N 3.2Å; D160-V193 WeakPolarHBondContact CB-O 3.35Å; D160-V193 PolarHBondContact N-O 3.01Å; L171-V193 HydrophobicContact CD1-CG1 4.16Å; V193-V252 CarbonylContact C-O 3.57Å; V193-V252 WeakPolarHBondContact CA-O 3.38Å; V193-V252 HydrophobicContact CG2-CG2 3.99Å; V193-A254 HydrophobicContact CG1-CB 4.29Å; V193-W256 HydrophobicContact CG2-CE3 4.24Å; V193-V257 HydrophobicContact CG1-CG2 4.47Å; V193-V257 HydrophobicContact CG2-CG2 4.05Å |
| 194 | Y | 91.6 | Very high | 79.4 | Confident | 17 Ų | 17 | 79 Ų | 79 | 7% | 0.067 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 168.7 | 178.5 | -64 | -78.6 | 0 | 0 | 0 | 112.7 | D160 H192 R251 V252 H253 A254 V274 | D160-Y194 HydrophobicContact CB-CD1 3.59Å; D160-Y194 HydrophobicContact CB-CE1 3.79Å; D160-Y194 HydrophobicContact CB-CG 4.4Å; D160-Y194 VanDerWaalsContact OD2-CE1 3.27Å; D160-Y194 WeakPolarHBondContact OD2-CE1 3.04Å; H192-Y194 HydrophobicContact CB-CE2 3.83Å; Y194-R251 HydrophobicContact CE2-CB 3.91Å; Y194-R251 HydrophobicContact CE2-CG 4.22Å; Y194-R251 PolarHBondContact OH-NE 2.93Å; Y194-R251 VanDerWaalsContact OH-NE 3.09Å; Y194-R251 PolarHBondContact OH-NH2 3.1Å; Y194-V252 PolarHBondContact N-O 2.87Å; Y194-H253 CarbonylContact O-C 3.54Å; Y194-A254 WeakPolarHBondContact O-CB 3.27Å; Y194-A254 PolarHBondContact O-N 3.48Å; Y194-V274 HydrophobicContact CD2-CG2 3.65Å; Y194-V274 HydrophobicContact CE2-CG2 4.35Å; Y194-V274 HydrophobicContact CG-CG2 4.31Å |
| 195 | G | 86.6 | Confident | 79.4 | Confident | 18 Ų | 18 | 71 Ų | 71 | 19% | 0.186 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 155.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 196 | P | 78.8 | Confident | 79.5 | Confident | 78 Ų | 78 | 66.5 Ų | 66.5 | 51% | 0.506 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -66 | 141.9 | 178.4 | 29.1 | -34.5 | 0 | 0 | 0 | 110.9 | L167 | L167-P196 HydrophobicContact CD2-CG 3.96Š|
| 197 | L | 78.6 | Confident | 79.7 | Confident | 54 Ų | 54 | 64.6 Ų | 64.6 | 28% | 0.283 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 155.9 | 175.8 | -69.3 | 120.2 | 0 | 0 | 0 | 111.8 | S199 H253 V274 N278 P280 | L197-S199 PolarHBondContact O-N 3.39Å; L197-H253 HydrophobicContact CD1-CB 3.74Å; L197-H253 WeakPolarHBondContact CD1-CD2 3.38Å; L197-H253 VanDerWaalsContact CD1-CG 3.46Å; L197-V274 HydrophobicContact CD1-CG1 4.02Å; L197-N278 WeakPolarHBondContact CD2-O 3.46Å; L197-P280 HydrophobicContact CD1-CG 4.42Å; L197-P280 VanDerWaalsContact CD2-CD 3.48Å; L197-P280 HydrophobicContact CD2-CG 3.69Å |
| 198 | A | 59.9 | Low | 79.8 | Confident | 96 Ų | 96 | 57 Ų | 57 | 79% | 0.793 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 126 | 167 | 0 | 0 | 0 | 0 | 0 | 109.4 | T200 | A198-T200 PolarHBondContact O-N 3.3Š|
| 199 | S | 52.5 | Low | 79.7 | Confident | 118 Ų | 118 | 53.6 Ų | 53.6 | 83% | 0.825 | 31% | 0.31 | S | S | * | . | trans | -40.5 | 107.6 | -175.9 | -169.7 | 0 | 0 | 0 | 0 | 113.5 | L197 | L197-S199 PolarHBondContact O-N 3.39Š| ||
| 200 | T | 53.3 | Low | 79.3 | Confident | 91 Ų | 91 | 56.4 Ų | 56.4 | 56% | 0.558 | 32% | 0.322 | S | S | * | . | trans | -72.1 | 146.9 | 149.9 | 40 | 0 | 0 | 0 | 0 | 108.7 | A198 E202 | A198-T200 PolarHBondContact O-N 3.3Å; T200-E202 PolarHBondContact O-N 3.38Å | ||
| 201 | E | 50.8 | Low | 78.8 | Confident | 186 Ų | 186 | 58.9 Ų | 58.9 | 87% | 0.869 | 33% | 0.327 | S | S | * | . | trans | -75.1 | 110.3 | 165.9 | -67.5 | 176.6 | 136.2 | 0 | 0 | 106.6 | D203 | E201-D203 PolarHBondContact O-N 3.35Å; E201-D203 VanDerWaalsContact O-N 3.11Å | ||
| 202 | E | 58.2 | Low | 77.9 | Confident | 127 Ų | 127 | 59.9 Ų | 59.9 | 59% | 0.593 | 33% | 0.331 | S | S | * | . | trans | -83.5 | 85.6 | -171.7 | -67.5 | -175.4 | 171.7 | 0 | 0 | 111.3 | T200 E204 | T200-E202 PolarHBondContact O-N 3.38Å; E202-E204 PolarHBondContact O-N 2.98Å | ||
| 203 | D | 69.8 | Low | 77 | Confident | 114 Ų | 114 | 64.9 Ų | 64.9 | 61% | 0.61 | 36% | 0.359 | S | S | * | . | trans | -53.8 | 126.6 | 165 | -77.3 | -31.3 | 0 | 0 | 0 | 110 | E201 W205 H288 | E201-D203 PolarHBondContact O-N 3.35Å; E201-D203 VanDerWaalsContact O-N 3.11Å; D203-W205 PolarHBondContact O-N 2.79Å; D203-H288 WeakPolarHBondContact CB-ND1 3.21Å; D203-H288 PolarHBondContact O-ND1 3.39Å | ||
| 204 | E | 82.9 | Confident | 76.3 | Confident | 65 Ų | 65 | 72.9 Ų | 72.9 | 30% | 0.304 | 39% | 0.394 | S | S | . | . | trans | -59.1 | 121 | -177.7 | -179.8 | 166.6 | -131.1 | 0 | 0 | 111 | R19 E202 W220 L289 | R19-E204 WeakPolarHBondContact CB-OE1 3.26Å; R19-E204 IonicContact CZ-OE1 3.51Å; R19-E204 IonicContact NE-OE1 2.71Å; R19-E204 IonicContact NH1-OE1 2.67Å; R19-E204 PolarHBondContact NH1-OE1 2.76Å; R19-E204 IonicContact NH2-OE1 3.1Å; E202-E204 PolarHBondContact O-N 2.98Å; E204-W220 HydrophobicContact CG-CE3 4.13Å; E204-W220 HydrophobicContact CG-CZ3 4.06Å; E204-L289 HydrophobicContact CG-CD1 4.29Å; E204-L289 PolarHBondContact O-N 2.87Å | ||
| 205 | W | 88.3 | Confident | 75.8 | Confident | 14 Ų | 14 | 76.8 Ų | 76.8 | 5% | 0.053 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 156.8 | -177 | 71.1 | -89.8 | 0 | 0 | 0 | 112.7 | D203 R207 G221 D271 R286 I287 | D203-W205 PolarHBondContact O-N 2.79Å; W205-R207 HydrophobicContact CZ3-CB 4.18Å; W205-R207 HydrophobicContact CZ3-CG 4.13Å; W205-G221 PolarHBondContact O-N 3.04Å; W205-D271 WeakPolarHBondContact CH2-OD1 3.49Å; W205-D271 WeakPolarHBondContact CZ2-OD2 3.34Å; W205-R286 HydrophobicContact CB-CB 4.23Å; W205-R286 HydrophobicContact CD2-CB 3.96Å; W205-R286 HydrophobicContact CD2-CG 3.75Å; W205-R286 HydrophobicContact CE3-CB 3.73Å; W205-R286 HydrophobicContact CE3-CG 3.48Å; W205-R286 VanDerWaalsContact CE3-CG 3.48Å; W205-R286 HydrophobicContact CG-CB 4.18Å; W205-R286 HydrophobicContact CG-CG 4.39Å; W205-R286 HydrophobicContact CH2-CG 4.29Å; W205-R286 HydrophobicContact CZ2-CG 4.5Å; W205-R286 VanDerWaalsContact CZ2-NE 3.32Å; W205-R286 HydrophobicContact CZ3-CB 4.46Å; W205-R286 HydrophobicContact CZ3-CG 3.78Å; W205-I287 CarbonylContact C-O 3.6Å; W205-I287 WeakPolarHBondContact CA-O 3.37Å; W205-I287 WeakPolarHBondContact CB-O 3.44Å |
| 206 | M | 90.2 | Very high | 75.7 | Confident | 3 Ų | 3 | 75.9 Ų | 75.9 | 2% | 0.015 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 156.4 | 178.9 | 40.4 | 169.6 | -89.5 | 0 | 0 | 111.2 | V218 H219 W220 L231 V236 I287 | M206-V218 HydrophobicContact CB-CG2 4.48Å; M206-V218 HydrophobicContact CE-CB 4.05Å; M206-V218 HydrophobicContact CE-CG1 3.8Å; M206-V218 HydrophobicContact CE-CG2 4.06Å; M206-V218 HydrophobicContact SD-CG2 4.15Å; M206-H219 CarbonylContact C-O 3.27Å; M206-H219 WeakPolarHBondContact CA-O 3.41Å; M206-H219 VanDerWaalsContact CB-O 3.29Å; M206-H219 WeakPolarHBondContact CB-O 3.38Å; M206-W220 HydrophobicContact CB-CD2 4.25Å; M206-W220 HydrophobicContact CB-CE3 3.96Å; M206-W220 HydrophobicContact CB-CZ3 4.1Å; M206-W220 HydrophobicContact CG-CE3 4.39Å; M206-W220 HydrophobicContact CG-CH2 4.28Å; M206-W220 HydrophobicContact CG-CZ3 4.02Å; M206-W220 HydrophobicContact SD-CH2 3.62Å; M206-W220 HydrophobicContact SD-CZ2 4.07Å; M206-W220 HydrophobicContact SD-CZ3 3.99Å; M206-L231 HydrophobicContact CE-CD1 4.1Å; M206-L231 HydrophobicContact SD-CD1 4.18Å; M206-V236 HydrophobicContact CE-CG1 3.91Å; M206-V236 HydrophobicContact CE-CG2 4.11Å; M206-I287 HydrophobicContact CE-CD1 3.97Å; M206-I287 HydrophobicContact CG-CB 4.29Å; M206-I287 PolarHBondContact N-O 2.97Å; M206-I287 WeakPolarHBondContact O-CB 3.48Å; M206-I287 PolarHBondContact O-N 2.98Å |
| 207 | R | 90.8 | Very high | 76.1 | Confident | 8 Ų | 8 | 72.6 Ų | 72.6 | 3% | 0.03 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 143.7 | 171.8 | 63.1 | 175.1 | 171 | -129.7 | -23.8 | 111.3 | W205 V209 V218 H219 N268 E270 D271 | W205-R207 HydrophobicContact CZ3-CB 4.18Å; W205-R207 HydrophobicContact CZ3-CG 4.13Å; R207-V209 HydrophobicContact CG-CG2 4.09Å; R207-V218 WeakPolarHBondContact O-CA 3.45Å; R207-H219 HydrophobicContact CG-CB 4.02Å; R207-H219 PolarHBondContact N-O 3.17Å; R207-H219 PolarHBondContact NH2-CD2 2.86Å; R207-H219 PolarHBondContact NH2-NE2 3.48Å; R207-H219 PolarHBondContact O-N 2.92Å; R207-N268 PolarHBondContact NH2-OD1 2.79Å; R207-E270 IonicContact CZ-OE2 2.69Å; R207-E270 IonicContact NE-OE2 3.18Å; R207-E270 VanDerWaalsContact NH1-CB 3.31Å; R207-E270 IonicContact NH1-OE2 3.68Å; R207-E270 PolarHBondContact NH1-OE2 3.11Å; R207-D271 IonicContact CZ-OD1 3.68Å; R207-D271 IonicContact NH1-OD1 2.77Å; R207-D271 PolarHBondContact NH1-OD1 2.8Å; R207-D271 IonicContact NH2-OD1 3.07Å; R207-D271 PolarHBondContact NH2-OD1 3.15Å |
| 208 | P | 90.1 | Very high | 76.6 | Confident | 9 Ų | 9 | 70 Ų | 70 | 6% | 0.058 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 128.9 | 170.5 | -16.3 | 33.3 | 0 | 0 | 0 | 110.3 | V216 V236 D239 V240 I287 | P208-V216 HydrophobicContact CB-CG1 3.93Å; P208-V236 HydrophobicContact CG-CG1 3.94Å; P208-D239 WeakPolarHBondContact CG-O 3.49Å; P208-V240 HydrophobicContact CB-CG2 3.76Å; P208-I287 HydrophobicContact CG-CD1 3.86Å |
| 209 | V | 86.1 | Confident | 78.1 | Confident | 50 Ų | 50 | 65.5 Ų | 65.5 | 30% | 0.303 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | -30.4 | -179.4 | 175.3 | 0 | 0 | 0 | 0 | 112.7 | R207 L217 H219 V240 | R207-V209 HydrophobicContact CG-CG2 4.09Å; V209-L217 PolarHBondContact N-O 2.89Å; V209-H219 HydrophobicContact CG2-CB 3.49Å; V209-H219 VanDerWaalsContact CG2-CB 3.49Å; V209-V240 WeakPolarHBondContact O-CG1 3.26Å |
| 210 | M | 83.4 | Confident | 79.9 | Confident | 69 Ų | 69 | 59.9 Ų | 59.9 | 34% | 0.34 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 136.5 | 175.3 | 166.1 | 173.5 | 41.1 | 0 | 0 | 110.6 | V216 L217 W230 | M210-V216 CarbonylContact O-C 3.56Å; M210-V216 WeakPolarHBondContact O-CA 3.41Å; M210-L217 HydrophobicContact CB-CB 4.15Å; M210-L217 HydrophobicContact CE-CB 4.32Å; M210-L217 HydrophobicContact CE-CD2 3.57Å; M210-L217 PolarHBondContact N-O 3.2Å; M210-L217 PolarHBondContact O-N 3.44Å; M210-W230 HydrophobicContact CE-CH2 3.73Å; M210-W230 HydrophobicContact CE-CZ2 3.71Å; M210-W230 HydrophobicContact CG-CH2 4.08Å; M210-W230 HydrophobicContact SD-CH2 4.08Å |
| 211 | R | 82.8 | Confident | 81.6 | Confident | 91 Ų | 91 | 55.9 Ų | 55.9 | 34% | 0.343 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 132.6 | 170.5 | -79.1 | 173.9 | 177.7 | -81.8 | 0.1 | 109.7 | V216 V236 G238 D239 V240 | R211-V216 HydrophobicContact CG-CB 4.46Å; R211-V216 HydrophobicContact CG-CG1 3.94Å; R211-V216 HydrophobicContact CG-CG2 4.11Å; R211-V236 PolarHBondContact NH2-O 2.94Å; R211-G238 PolarHBondContact NH2-O 3.33Å; R211-D239 IonicContact NE-OD1 2.68Å; R211-V240 HydrophobicContact CB-CG2 4.37Å; R211-V240 HydrophobicContact CG-CG2 3.74Å |
| 212 | K | 74.6 | Confident | 83.4 | Confident | 31 Ų | 31 | 48.1 Ų | 48.1 | 14% | 0.135 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 106.6 | 175.5 | -173.3 | 169.1 | -179.2 | 172.4 | 0 | 108.7 | F29 T35 K214 H215 W230 | F29-K212 HydrophobicContact CE2-CD 4.33Å; T35-K212 PolarHBondContact OG1-NZ 2.68Å; K212-K214 PolarHBondContact O-N 3.38Å; K212-H215 CarbonylContact C-O 3.53Å; K212-H215 PolarHBondContact N-O 3.19Å; K212-H215 PolarHBondContact O-N 3.13Å; K212-H215 VanDerWaalsContact O-O 3.09Å; K212-W230 HydrophobicContact CB-CH2 3.71Å; K212-W230 HydrophobicContact CB-CZ3 3.64Å; K212-W230 HydrophobicContact CD-CH2 4.33Å |
| 213 | D | 74.6 | Confident | 84.9 | Confident | 124 Ų | 124 | 43 Ų | 43 | 66% | 0.663 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | -118.2 | -178.1 | -47.8 | -66.5 | 0 | 0 | 0 | 112.6 | H215 S233 | D213-H215 VanDerWaalsContact C-N 3.29Å; D213-H215 PolarHBondContact O-N 3.05Å; D213-S233 PolarHBondContact O-OG 3.22Å |
| 214 | K | 78.9 | Confident | 85.9 | Confident | 168 Ų | 168 | 37.6 Ų | 37.6 | 73% | 0.73 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 13.1 | 178.5 | -59 | -173.8 | -178.6 | -178.5 | 0 | 113.4 | K212 S233 | K212-K214 PolarHBondContact O-N 3.38Å; K214-S233 PolarHBondContact O-N 3.13Å; K214-S233 PolarHBondContact O-OG 3.2Å |
| 215 | H | 80.6 | Confident | 86.2 | Confident | 98 Ų | 98 | 36.1 Ų | 36.1 | 45% | 0.454 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 155.7 | -179 | -56 | 96.8 | 0 | 0 | 0 | 113 | K212 D213 W230 L231 S233 | K212-H215 CarbonylContact C-O 3.53Å; K212-H215 PolarHBondContact N-O 3.19Å; K212-H215 PolarHBondContact O-N 3.13Å; K212-H215 VanDerWaalsContact O-O 3.09Å; D213-H215 VanDerWaalsContact C-N 3.29Å; D213-H215 PolarHBondContact O-N 3.05Å; H215-W230 HydrophobicContact CB-CE3 3.83Å; H215-W230 HydrophobicContact CB-CZ3 4.38Å; H215-L231 CarbonylContact C-O 3.56Å; H215-L231 WeakPolarHBondContact CA-O 3.42Å; H215-L231 WeakPolarHBondContact CB-O 3.48Å; H215-S233 PolarHBondContact N-OG 3.15Å |
| 216 | V | 85 | Confident | 86.2 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 126.4 | 176.9 | -163.5 | 0 | 0 | 0 | 0 | 108.4 | P208 M210 R211 V218 W230 L231 V236 | P208-V216 HydrophobicContact CB-CG1 3.93Å; M210-V216 CarbonylContact O-C 3.56Å; M210-V216 WeakPolarHBondContact O-CA 3.41Å; R211-V216 HydrophobicContact CG-CB 4.46Å; R211-V216 HydrophobicContact CG-CG1 3.94Å; R211-V216 HydrophobicContact CG-CG2 4.11Å; V216-V218 HydrophobicContact CB-CG1 4.2Å; V216-V218 HydrophobicContact CG1-CG1 3.91Å; V216-V218 PolarHBondContact O-N 3.24Å; V216-W230 CarbonylContact O-C 3.57Å; V216-W230 WeakPolarHBondContact O-CA 3.36Å; V216-L231 PolarHBondContact N-O 3.49Å; V216-L231 PolarHBondContact O-N 2.98Å; V216-V236 HydrophobicContact CB-CG2 4.23Å; V216-V236 HydrophobicContact CG1-CG1 4.36Å; V216-V236 HydrophobicContact CG2-CB 4.18Å; V216-V236 HydrophobicContact CG2-CG2 4.23Å |
| 217 | L | 86.5 | Confident | 86.2 | Confident | 8 Ų | 8 | 36.4 Ų | 36.4 | 4% | 0.042 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 115.2 | 162.2 | -173.5 | 65 | 0 | 0 | 0 | 107.3 | L97 V209 M210 D228 W230 | L97-L217 HydrophobicContact CD1-CD2 4.39Å; V209-L217 PolarHBondContact N-O 2.89Å; M210-L217 HydrophobicContact CB-CB 4.15Å; M210-L217 HydrophobicContact CE-CB 4.32Å; M210-L217 HydrophobicContact CE-CD2 3.57Å; M210-L217 PolarHBondContact N-O 3.2Å; M210-L217 PolarHBondContact O-N 3.44Å; L217-D228 HydrophobicContact CD1-CB 3.71Å; L217-D228 HydrophobicContact CD2-CB 4.46Å; L217-D228 HydrophobicContact CG-CB 4.08Å; L217-W230 HydrophobicContact CB-CD2 4.08Å; L217-W230 HydrophobicContact CB-CE3 3.99Å; L217-W230 HydrophobicContact CB-CH2 3.9Å; L217-W230 HydrophobicContact CB-CZ2 3.97Å; L217-W230 HydrophobicContact CB-CZ3 3.91Å; L217-W230 HydrophobicContact CD1-CD2 4.13Å; L217-W230 HydrophobicContact CD1-CG 4.18Å; L217-W230 HydrophobicContact CD1-CZ2 4.44Å; L217-W230 HydrophobicContact CD2-CZ2 4.4Å |
| 218 | V | 89.6 | Confident | 86.1 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 138.9 | 174 | -51.9 | 0 | 0 | 0 | 0 | 110 | M206 R207 V216 W220 D228 S229 L231 V236 | M206-V218 HydrophobicContact CB-CG2 4.48Å; M206-V218 HydrophobicContact CE-CB 4.05Å; M206-V218 HydrophobicContact CE-CG1 3.8Å; M206-V218 HydrophobicContact CE-CG2 4.06Å; M206-V218 HydrophobicContact SD-CG2 4.15Å; R207-V218 WeakPolarHBondContact O-CA 3.45Å; V216-V218 HydrophobicContact CB-CG1 4.2Å; V216-V218 HydrophobicContact CG1-CG1 3.91Å; V216-V218 PolarHBondContact O-N 3.24Å; V218-W220 HydrophobicContact CG2-CZ2 4.19Å; V218-D228 WeakPolarHBondContact O-CA 3.42Å; V218-S229 WeakPolarHBondContact CG2-OG 3.47Å; V218-S229 PolarHBondContact N-O 3.42Å; V218-S229 PolarHBondContact O-N 3.28Å; V218-L231 HydrophobicContact CG1-CD1 4.21Å; V218-L231 HydrophobicContact CG2-CD1 3.54Å; V218-L231 HydrophobicContact CG2-CG 3.94Å; V218-V236 HydrophobicContact CG1-CG1 3.9Å; V218-V236 HydrophobicContact CG1-CG2 3.86Å |
| 219 | H | 90.8 | Very high | 86 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 145.1 | 173.6 | 177.2 | 83.5 | 0 | 0 | 0 | 109.8 | M206 R207 V209 H223 D225 D228 D271 | M206-H219 CarbonylContact C-O 3.27Å; M206-H219 WeakPolarHBondContact CA-O 3.41Å; M206-H219 VanDerWaalsContact CB-O 3.29Å; M206-H219 WeakPolarHBondContact CB-O 3.38Å; R207-H219 HydrophobicContact CG-CB 4.02Å; R207-H219 PolarHBondContact N-O 3.17Å; R207-H219 PolarHBondContact NH2-CD2 2.86Å; R207-H219 PolarHBondContact NH2-NE2 3.48Å; R207-H219 PolarHBondContact O-N 2.92Å; V209-H219 HydrophobicContact CG2-CB 3.49Å; V209-H219 VanDerWaalsContact CG2-CB 3.49Å; H219-H223 PolarHBondContact CE1-O 3.47Å; H219-D225 IonicContact CE1-OD1 3.2Å; H219-D228 WeakPolarHBondContact CA-OD1 3.34Å; H219-D228 IonicContact CE1-OD1 3.11Å; H219-D228 IonicContact CG-OD1 3.54Å; H219-D228 IonicContact ND1-OD1 2.66Å; H219-D228 PolarHBondContact ND1-OD1 3.07Å; H219-D228 IonicContact ND1-OD2 3.9Å; H219-D271 IonicContact NE2-OD1 2.82Å; H219-D271 IonicContact NE2-OD2 2.86Å |
| 220 | W | 90.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 128.8 | -176.6 | -66.5 | 91.8 | 0 | 0 | 0 | 110.3 | R19 E204 M206 V218 H223 S229 L289 | R19-W220 HydrophobicContact CB-CD2 3.7Å; R19-W220 HydrophobicContact CB-CE3 3.79Å; R19-W220 HydrophobicContact CB-CG 4.3Å; R19-W220 HydrophobicContact CB-CH2 4.11Å; R19-W220 HydrophobicContact CB-CZ2 4.02Å; R19-W220 HydrophobicContact CB-CZ3 3.99Å; R19-W220 HydrophobicContact CG-CB 4.13Å; R19-W220 HydrophobicContact CG-CD2 3.49Å; R19-W220 VanDerWaalsContact CG-CD2 3.49Å; R19-W220 HydrophobicContact CG-CE3 3.97Å; R19-W220 HydrophobicContact CG-CG 3.53Å; E204-W220 HydrophobicContact CG-CE3 4.13Å; E204-W220 HydrophobicContact CG-CZ3 4.06Å; M206-W220 HydrophobicContact CB-CD2 4.25Å; M206-W220 HydrophobicContact CB-CE3 3.96Å; M206-W220 HydrophobicContact CB-CZ3 4.1Å; M206-W220 HydrophobicContact CG-CE3 4.39Å; M206-W220 HydrophobicContact CG-CH2 4.28Å; M206-W220 HydrophobicContact CG-CZ3 4.02Å; M206-W220 HydrophobicContact SD-CH2 3.62Å; M206-W220 HydrophobicContact SD-CZ2 4.07Å; M206-W220 HydrophobicContact SD-CZ3 3.99Å; V218-W220 HydrophobicContact CG2-CZ2 4.19Å; W220-H223 HydrophobicContact CB-CB 4.36Å; W220-H223 WeakPolarHBondContact O-CB 3.46Å; W220-H223 PolarHBondContact O-N 2.9Å; W220-S229 PolarHBondContact NE1-OG 3.29Å; W220-L289 HydrophobicContact CH2-CD1 3.97Å; W220-L289 HydrophobicContact CZ3-CD1 3.72Å; W220-L289 HydrophobicContact CZ3-CG 4.5Å |
| 221 | G | 89.3 | Confident | 85.9 | Confident | 8 Ų | 8 | 34.9 Ų | 34.9 | 8% | 0.082 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 138.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | W205 H223 D271 | W205-G221 PolarHBondContact O-N 3.04Å; G221-H223 PolarHBondContact O-N 2.87Å; G221-H223 PolarHBondContact O-ND1 3.33Å; G221-D271 VanDerWaalsContact CA-OD2 3.31Å; G221-D271 WeakPolarHBondContact CA-OD2 3.45Å |
| 222 | M | 88.6 | Confident | 85.8 | Confident | 22 Ų | 22 | 32.4 Ų | 32.4 | 11% | 0.108 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 26.2 | 179 | -42 | -60.6 | -81.7 | 0 | 0 | 113.5 | M267 D271 Y272 | M222-M267 WeakPolarHBondContact O-CE 3.28Å; M222-D271 PolarHBondContact N-OD2 3.03Å; M222-D271 HydrophobicContact SD-CB 4.07Å; M222-Y272 HydrophobicContact CE-CD1 3.85Å; M222-Y272 HydrophobicContact CE-CE1 3.34Å; M222-Y272 HydrophobicContact SD-CE1 4.28Å; M222-Y272 HydrophobicContact SD-CE2 4.49Å |
| 223 | H | 90.3 | Very high | 86 | Confident | 20 Ų | 20 | 32.7 Ų | 32.7 | 9% | 0.093 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -125.6 | 150.4 | 174.4 | -66.9 | 63.2 | 0 | 0 | 0 | 109.9 | R19 H219 W220 G221 Y227 F263 | R19-H223 PolarHBondContact NE-NE2 3.26Å; R19-H223 PolarHBondContact NH1-CE1 3.23Å; H219-H223 PolarHBondContact CE1-O 3.47Å; W220-H223 HydrophobicContact CB-CB 4.36Å; W220-H223 WeakPolarHBondContact O-CB 3.46Å; W220-H223 PolarHBondContact O-N 2.9Å; G221-H223 PolarHBondContact O-N 2.87Å; G221-H223 PolarHBondContact O-ND1 3.33Å; H223-Y227 HydrophobicContact CB-CG 4.37Å; H223-F263 AromaticContact CD2-CE1 3.75Å; H223-F263 AromaticContact CD2-CZ 3.5Å; H223-F263 VanDerWaalsContact CD2-CZ 3.5Å; H223-F263 WeakPolarHBondContact CD2-CZ 3.28Å; H223-F263 AromaticContact NE2-CZ 3.8Å |
| 224 | P | 91.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -76.7 | 157.2 | 175.7 | 31.7 | -32.1 | 0 | 0 | 0 | 111.1 | S226 Y227 F263 E265 M267 | P224-S226 PolarHBondContact O-N 2.89Å; P224-Y227 HydrophobicContact CG-CD2 3.88Å; P224-Y227 HydrophobicContact CG-CE2 4.16Å; P224-Y227 PolarHBondContact O-N 3.29Å; P224-F263 HydrophobicContact CG-CB 3.91Å; P224-F263 HydrophobicContact CG-CD1 4.16Å; P224-F263 HydrophobicContact CG-CG 3.97Å; P224-E265 HydrophobicContact CB-CB 4.17Å; P224-E265 HydrophobicContact CB-CG 4Å; P224-E265 HydrophobicContact CG-CB 4.23Å; P224-E265 HydrophobicContact CG-CG 4.46Å; P224-M267 HydrophobicContact CB-SD 3.87Å; P224-M267 HydrophobicContact CG-SD 3.98Å | ||
| 225 | D | 88.8 | Confident | 86.3 | Confident | 35 Ų | 35 | 28.4 Ų | 28.4 | 19% | 0.187 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -46.4 | -24.7 | -176.9 | -57.3 | -6.7 | 0 | 0 | 0 | 115 | A93 H94 H219 Y227 D228 N268 | A93-D225 HydrophobicContact CB-CB 3.85Å; H94-D225 IonicContact CG-OD2 3.35Å; H94-D225 IonicContact ND1-OD2 2.68Å; H94-D225 PolarHBondContact ND1-OD2 3.21Å; H94-D225 VanDerWaalsContact ND1-OD2 3.09Å; H219-D225 IonicContact CE1-OD1 3.2Å; D225-Y227 PolarHBondContact O-N 3.33Å; D225-D228 VanDerWaalsContact O-CB 3.32Å; D225-D228 WeakPolarHBondContact O-CB 3.22Å; D225-D228 VanDerWaalsContact O-CG 3.31Å; D225-D228 PolarHBondContact O-N 3.12Å; D225-N268 PolarHBondContact OD1-ND2 2.93Å |
| 226 | S | 89 | Confident | 86.2 | Confident | 13 Ų | 13 | 24.1 Ų | 24.1 | 9% | 0.091 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -67.8 | -19.3 | 177.3 | 66.4 | 0 | 0 | 0 | 0 | 114.6 | S23 K90 P224 E265 | S23-S226 WeakPolarHBondContact CB-OG 3.49Å; S23-S226 WeakPolarHBondContact OG-CB 3.32Å; S23-S226 PolarHBondContact OG-OG 2.91Å; K90-S226 PolarHBondContact NZ-OG 3.11Å; P224-S226 PolarHBondContact O-N 2.89Å; S226-E265 WeakPolarHBondContact CB-OE1 3.48Å; S226-E265 VanDerWaalsContact CB-OE2 3.25Å; S226-E265 WeakPolarHBondContact CB-OE2 3.36Å; S226-E265 PolarHBondContact OG-OE2 2.95Å |
| 227 | Y | 89.6 | Confident | 85.6 | Confident | 9 Ų | 9 | 32.1 Ų | 32.1 | 4% | 0.035 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -85 | -9.8 | 175.4 | -76.8 | -98.6 | 0 | 0 | 0 | 113.6 | H223 P224 D225 F263 | H223-Y227 HydrophobicContact CB-CG 4.37Å; P224-Y227 HydrophobicContact CG-CD2 3.88Å; P224-Y227 HydrophobicContact CG-CE2 4.16Å; P224-Y227 PolarHBondContact O-N 3.29Å; D225-Y227 PolarHBondContact O-N 3.33Å; Y227-F263 HydrophobicContact CD2-CD1 4.31Å; Y227-F263 HydrophobicContact CD2-CE1 4.3Å; Y227-F263 HydrophobicContact CE1-CE1 4.43Å; Y227-F263 AromaticContact CE2-CD1 3.49Å; Y227-F263 HydrophobicContact CE2-CD1 3.49Å; Y227-F263 VanDerWaalsContact CE2-CD1 3.49Å; Y227-F263 AromaticContact CE2-CE1 3.69Å; Y227-F263 HydrophobicContact CE2-CE1 3.69Å; Y227-F263 AromaticContact CZ-CD1 3.84Å; Y227-F263 AromaticContact CZ-CE1 3.77Å |
| 228 | D | 88.9 | Confident | 84.8 | Confident | 16 Ų | 16 | 33.3 Ų | 33.3 | 9% | 0.086 | 19% | 0.193 | C | C | . | . | trans | -53.2 | 141.4 | 179.5 | -73.2 | 22.3 | 0 | 0 | 0 | 112.3 | K20 L217 V218 H219 D225 | K20-D228 WeakPolarHBondContact CE-O 3.48Å; K20-D228 PolarHBondContact NZ-O 3.15Å; L217-D228 HydrophobicContact CD1-CB 3.71Å; L217-D228 HydrophobicContact CD2-CB 4.46Å; L217-D228 HydrophobicContact CG-CB 4.08Å; V218-D228 WeakPolarHBondContact O-CA 3.42Å; H219-D228 WeakPolarHBondContact CA-OD1 3.34Å; H219-D228 IonicContact CE1-OD1 3.11Å; H219-D228 IonicContact CG-OD1 3.54Å; H219-D228 IonicContact ND1-OD1 2.66Å; H219-D228 PolarHBondContact ND1-OD1 3.07Å; H219-D228 IonicContact ND1-OD2 3.9Å; D225-D228 VanDerWaalsContact O-CB 3.32Å; D225-D228 WeakPolarHBondContact O-CB 3.22Å; D225-D228 VanDerWaalsContact O-CG 3.31Å; D225-D228 PolarHBondContact O-N 3.12Å | ||
| 229 | S | 86.5 | Confident | 84.2 | Confident | 8 Ų | 8 | 39.4 Ų | 39.4 | 6% | 0.056 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 134.8 | -170.3 | 62.9 | 0 | 0 | 0 | 0 | 113 | V218 W220 L231 | V218-S229 WeakPolarHBondContact CG2-OG 3.47Å; V218-S229 PolarHBondContact N-O 3.42Å; V218-S229 PolarHBondContact O-N 3.28Å; W220-S229 PolarHBondContact NE1-OG 3.29Å; S229-L231 PolarHBondContact O-N 2.81Å |
| 230 | W | 83.4 | Confident | 83.8 | Confident | 56 Ų | 56 | 41.8 Ų | 41.8 | 21% | 0.212 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 111.2 | 170.2 | -70.5 | 98.7 | 0 | 0 | 0 | 110.5 | F29 M210 K212 H215 V216 L217 | F29-W230 HydrophobicContact CD2-CD2 4.42Å; F29-W230 AromaticContact CD2-CE2 3.46Å; F29-W230 VanDerWaalsContact CD2-CE2 3.46Å; F29-W230 HydrophobicContact CD2-CH2 4.4Å; F29-W230 AromaticContact CD2-CZ2 3.45Å; F29-W230 HydrophobicContact CD2-CZ2 3.45Å; F29-W230 VanDerWaalsContact CD2-CZ2 3.45Å; F29-W230 AromaticContact CD2-NE1 3.41Å; F29-W230 AromaticContact CE2-CE2 3.86Å; F29-W230 HydrophobicContact CE2-CH2 4.17Å; F29-W230 AromaticContact CE2-CZ2 3.33Å; F29-W230 HydrophobicContact CE2-CZ2 3.33Å; F29-W230 HydrophobicContact CG-CZ2 4.43Å; F29-W230 AromaticContact CG-NE1 3.59Å; F29-W230 HydrophobicContact CZ-CZ2 4.24Å; M210-W230 HydrophobicContact CE-CH2 3.73Å; M210-W230 HydrophobicContact CE-CZ2 3.71Å; M210-W230 HydrophobicContact CG-CH2 4.08Å; M210-W230 HydrophobicContact SD-CH2 4.08Å; K212-W230 HydrophobicContact CB-CH2 3.71Å; K212-W230 HydrophobicContact CB-CZ3 3.64Å; K212-W230 HydrophobicContact CD-CH2 4.33Å; H215-W230 HydrophobicContact CB-CE3 3.83Å; H215-W230 HydrophobicContact CB-CZ3 4.38Å; V216-W230 CarbonylContact O-C 3.57Å; V216-W230 WeakPolarHBondContact O-CA 3.36Å; L217-W230 HydrophobicContact CB-CD2 4.08Å; L217-W230 HydrophobicContact CB-CE3 3.99Å; L217-W230 HydrophobicContact CB-CH2 3.9Å; L217-W230 HydrophobicContact CB-CZ2 3.97Å; L217-W230 HydrophobicContact CB-CZ3 3.91Å; L217-W230 HydrophobicContact CD1-CD2 4.13Å; L217-W230 HydrophobicContact CD1-CG 4.18Å; L217-W230 HydrophobicContact CD1-CZ2 4.44Å; L217-W230 HydrophobicContact CD2-CZ2 4.4Å |
| 231 | L | 84.4 | Confident | 83.3 | Confident | 25 Ų | 25 | 45.6 Ų | 45.6 | 13% | 0.131 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 171.2 | 173 | -61 | -178 | 0 | 0 | 0 | 110.8 | A17 M206 H215 V216 V218 S229 V236 | A17-L231 HydrophobicContact CB-CD1 3.88Å; M206-L231 HydrophobicContact CE-CD1 4.1Å; M206-L231 HydrophobicContact SD-CD1 4.18Å; H215-L231 CarbonylContact C-O 3.56Å; H215-L231 WeakPolarHBondContact CA-O 3.42Å; H215-L231 WeakPolarHBondContact CB-O 3.48Å; V216-L231 PolarHBondContact N-O 3.49Å; V216-L231 PolarHBondContact O-N 2.98Å; V218-L231 HydrophobicContact CG1-CD1 4.21Å; V218-L231 HydrophobicContact CG2-CD1 3.54Å; V218-L231 HydrophobicContact CG2-CG 3.94Å; S229-L231 PolarHBondContact O-N 2.81Å; L231-V236 HydrophobicContact CB-CG2 3.78Å; L231-V236 HydrophobicContact CD1-CG2 3.82Å; L231-V236 HydrophobicContact CG-CG2 4.44Å |
| 232 | S | 80.8 | Confident | 82.4 | Confident | 38 Ų | 38 | 50.1 Ų | 50.1 | 27% | 0.266 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 145.9 | 171.6 | -171.7 | 0 | 0 | 0 | 0 | 111 | S234 D235 | S232-S234 PolarHBondContact O-N 3.27Å; S232-S234 VanDerWaalsContact O-N 3.11Å; S232-S234 PolarHBondContact OG-N 3.31Å; S232-D235 WeakPolarHBondContact CB-OD2 3.28Å; S232-D235 PolarHBondContact O-N 2.98Å |
| 233 | S | 79.8 | Confident | 81.4 | Confident | 38 Ų | 38 | 52.2 Ų | 52.2 | 27% | 0.266 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -13.8 | 170.6 | -66.5 | 0 | 0 | 0 | 0 | 113.8 | D213 K214 H215 | D213-S233 PolarHBondContact O-OG 3.22Å; K214-S233 PolarHBondContact O-N 3.13Å; K214-S233 PolarHBondContact O-OG 3.2Å; H215-S233 PolarHBondContact N-OG 3.15Å |
| 234 | S | 78.6 | Confident | 80.4 | Confident | 109 Ų | 109 | 53.7 Ų | 53.7 | 76% | 0.762 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -16.1 | 172.2 | -54.2 | 0 | 0 | 0 | 0 | 114.3 | S232 | S232-S234 PolarHBondContact O-N 3.27Å; S232-S234 VanDerWaalsContact O-N 3.11Å; S232-S234 PolarHBondContact OG-N 3.31Å |
| 235 | D | 79.6 | Confident | 78.7 | Confident | 92 Ų | 92 | 61.4 Ų | 61.4 | 49% | 0.492 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -104.6 | 5.1 | -170.8 | -50.9 | -21.1 | 0 | 0 | 0 | 111.9 | S232 | S232-D235 WeakPolarHBondContact CB-OD2 3.28Å; S232-D235 PolarHBondContact O-N 2.98Å |
| 236 | V | 79.8 | Confident | 77.7 | Confident | 8 Ų | 8 | 62.1 Ų | 62.1 | 5% | 0.048 | 35% | 0.346 | C | S | . | . | trans | -133.4 | 103.8 | -172.7 | -175.2 | 0 | 0 | 0 | 0 | 110.2 | M206 P208 R211 V216 V218 L231 I287 | M206-V236 HydrophobicContact CE-CG1 3.91Å; M206-V236 HydrophobicContact CE-CG2 4.11Å; P208-V236 HydrophobicContact CG-CG1 3.94Å; R211-V236 PolarHBondContact NH2-O 2.94Å; V216-V236 HydrophobicContact CB-CG2 4.23Å; V216-V236 HydrophobicContact CG1-CG1 4.36Å; V216-V236 HydrophobicContact CG2-CB 4.18Å; V216-V236 HydrophobicContact CG2-CG2 4.23Å; V218-V236 HydrophobicContact CG1-CG1 3.9Å; V218-V236 HydrophobicContact CG1-CG2 3.86Å; L231-V236 HydrophobicContact CB-CG2 3.78Å; L231-V236 HydrophobicContact CD1-CG2 3.82Å; L231-V236 HydrophobicContact CG-CG2 4.44Å; V236-I287 HydrophobicContact CG1-CD1 4.01Å | ||
| 237 | E | 71.9 | Confident | 76.6 | Confident | 168 Ų | 168 | 69.9 Ų | 69.9 | 79% | 0.785 | 38% | 0.381 | S | S | * | . | trans | -77.4 | 133.6 | 174 | -60.9 | -170.6 | 167.4 | 0 | 0 | 111 | I287 | E237-I287 WeakPolarHBondContact O-CD1 3.17Å; E237-I287 WeakPolarHBondContact O-CG1 3.14Å | ||
| 238 | G | 69.6 | Low | 76.1 | Confident | 33 Ų | 33 | 77.4 Ų | 77.4 | 34% | 0.34 | 41% | 0.41 | S | S | . | . | S | Bend | trans | 100 | 148.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | R211 | R211-G238 PolarHBondContact NH2-O 3.33Š|
| 239 | D | 76.4 | Confident | 76 | Confident | 129 Ų | 129 | 78.5 Ų | 78.5 | 69% | 0.69 | 42% | 0.418 | S | S | * | . | trans | -85 | 172.9 | -178.3 | -74.9 | -52.2 | 0 | 0 | 0 | 112.8 | P208 R211 E241 | P208-D239 WeakPolarHBondContact CG-O 3.49Å; R211-D239 IonicContact NE-OD1 2.68Å; D239-E241 PolarHBondContact O-N 2.86Å | ||
| 240 | V | 82.2 | Confident | 76.2 | Confident | 51 Ų | 51 | 79.5 Ų | 79.5 | 31% | 0.309 | 42% | 0.42 | S | S | . | . | trans | -79.7 | 107 | 172 | 176.5 | 0 | 0 | 0 | 0 | 107.9 | P208 V209 R211 | P208-V240 HydrophobicContact CB-CG2 3.76Å; V209-V240 WeakPolarHBondContact O-CG1 3.26Å; R211-V240 HydrophobicContact CB-CG2 4.37Å; R211-V240 HydrophobicContact CG-CG2 3.74Å | ||
| 241 | E | 80.3 | Confident | 76.6 | Confident | 79 Ų | 79 | 80.4 Ų | 80.4 | 37% | 0.369 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 139.2 | 171.2 | -63.3 | -177.4 | 158.7 | 0 | 0 | 110.4 | D239 R284 Q285 | D239-E241 PolarHBondContact O-N 2.86Å; E241-R284 HydrophobicContact CB-CG 4.16Å; E241-R284 VanDerWaalsContact O-CD 3.29Å; E241-R284 WeakPolarHBondContact O-CD 3.29Å; E241-R284 PolarHBondContact O-NH1 3.42Å; E241-R284 WeakPolarHBondContact OE2-CA 3.39Å; E241-R284 VanDerWaalsContact OE2-CB 3.3Å; E241-R284 WeakPolarHBondContact OE2-CB 3.35Å; E241-Q285 PolarHBondContact OE2-N 2.96Å |
| 242 | D | 71.3 | Confident | 77.1 | Confident | 103 Ų | 103 | 79.2 Ų | 79.2 | 55% | 0.551 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 154.7 | 171.1 | -76.5 | -47.8 | 0 | 0 | 0 | 111.9 | P244 R284 | D242-P244 WeakPolarHBondContact O-CD 3.41Å; D242-R284 WeakPolarHBondContact O-CD 3.4Å |
| 243 | V | 66.1 | Low | 77.6 | Confident | 67 Ų | 67 | 78.6 Ų | 78.6 | 41% | 0.406 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 121.7 | 172.3 | -164 | 0 | 0 | 0 | 0 | 109.3 | H245 E270 | V243-H245 PolarHBondContact O-N 2.85Å; V243-E270 HydrophobicContact CG1-CG 4.45Å; V243-E270 WeakPolarHBondContact CG1-OE1 3.49Å |
| 244 | P | 69.3 | Low | 78.2 | Confident | 51 Ų | 51 | 76.8 Ų | 76.8 | 33% | 0.331 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 137.8 | 168.3 | -19 | 31 | 0 | 0 | 0 | 109.3 | D242 V246 L283 | D242-P244 WeakPolarHBondContact O-CD 3.41Å; P244-V246 PolarHBondContact O-N 3.28Å; P244-L283 HydrophobicContact CB-CD2 4.35Å; P244-L283 HydrophobicContact CG-CB 4.03Å; P244-L283 HydrophobicContact CG-CD2 4.25Å; P244-L283 WeakPolarHBondContact CG-O 3.38Å |
| 245 | H | 57.4 | Low | 78.8 | Confident | 161 Ų | 161 | 72 Ų | 72 | 75% | 0.745 | 37% | 0.365 | S | S | * | . | trans | -68.4 | 93.6 | 179.2 | -70.9 | 7.9 | 0 | 0 | 0 | 110.7 | V243 | V243-H245 PolarHBondContact O-N 2.85Š| ||
| 246 | V | 66.5 | Low | 79.5 | Confident | 50 Ų | 50 | 67.7 Ų | 67.7 | 30% | 0.303 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 120.4 | 171.4 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | P244 R248 W250 L283 | P244-V246 PolarHBondContact O-N 3.28Å; V246-R248 PolarHBondContact O-N 2.93Å; V246-W250 HydrophobicContact CB-CE3 4.16Å; V246-W250 HydrophobicContact CB-CH2 4.38Å; V246-W250 HydrophobicContact CB-CZ3 3.78Å; V246-W250 HydrophobicContact CG1-CE3 3.82Å; V246-W250 HydrophobicContact CG1-CZ3 3.93Å; V246-W250 HydrophobicContact CG2-CH2 4.42Å; V246-W250 HydrophobicContact CG2-CZ3 3.78Å; V246-L283 HydrophobicContact CG2-CD1 3.79Å; V246-L283 HydrophobicContact CG2-CD2 3.76Å; V246-L283 HydrophobicContact CG2-CG 4.47Å |
| 247 | E | 66.4 | Low | 80.2 | Confident | 177 Ų | 177 | 67.3 Ų | 67.3 | 83% | 0.827 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 127.5 | 172.6 | -64.2 | -174.6 | 149.7 | 0 | 0 | 109.6 | ||
| 248 | R | 79.2 | Confident | 81.3 | Confident | 167 Ų | 167 | 60.8 Ų | 60.8 | 63% | 0.63 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -70.3 | 145.7 | 173.1 | -73.9 | -175.4 | 171.5 | -164.6 | -4.9 | 109.7 | V246 | V246-R248 PolarHBondContact O-N 2.93Š|
| 249 | P | 86.6 | Confident | 82.4 | Confident | 39 Ų | 39 | 61.3 Ų | 61.3 | 25% | 0.253 | 31% | 0.305 | S | S | . | . | S | Bend | cis | -78.1 | 149.1 | 7.3 | 29.5 | -33.8 | 0 | 0 | 0 | 114.4 | T190 H192 R251 | T190-P249 WeakPolarHBondContact O-CA 3.35Å; T190-P249 WeakPolarHBondContact O-CB 3.44Å; H192-P249 VanDerWaalsContact CE1-CG 3.44Å; H192-P249 WeakPolarHBondContact CE1-CG 3.21Å; H192-P249 WeakPolarHBondContact NE2-CG 3.28Å; P249-R251 PolarHBondContact O-N 3.33Å |
| 250 | W | 91.3 | Very high | 83.2 | Confident | 29 Ų | 29 | 55.2 Ų | 55.2 | 11% | 0.11 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 129.9 | 172.6 | -74.6 | 121 | 0 | 0 | 0 | 110.5 | T190 H191 H192 V246 V252 E269 E270 L283 | T190-W250 PolarHBondContact O-N 3.39Å; H191-W250 CarbonylContact C-O 3.57Å; H191-W250 WeakPolarHBondContact CA-O 3.48Å; H191-W250 AromaticContact CD2-CD1 3.84Å; H191-W250 AromaticContact CE1-CD1 4Å; H191-W250 AromaticContact NE2-CD1 3.47Å; H192-W250 PolarHBondContact N-O 3.23Å; V246-W250 HydrophobicContact CB-CE3 4.16Å; V246-W250 HydrophobicContact CB-CH2 4.38Å; V246-W250 HydrophobicContact CB-CZ3 3.78Å; V246-W250 HydrophobicContact CG1-CE3 3.82Å; V246-W250 HydrophobicContact CG1-CZ3 3.93Å; V246-W250 HydrophobicContact CG2-CH2 4.42Å; V246-W250 HydrophobicContact CG2-CZ3 3.78Å; W250-V252 HydrophobicContact CB-CG1 4.4Å; W250-E269 HydrophobicContact CD2-CB 3.59Å; W250-E269 HydrophobicContact CD2-CG 4.04Å; W250-E269 HydrophobicContact CE3-CB 3.89Å; W250-E269 HydrophobicContact CG-CB 3.97Å; W250-E269 HydrophobicContact CG-CG 3.97Å; W250-E269 HydrophobicContact CH2-CB 4.15Å; W250-E269 HydrophobicContact CZ2-CB 3.86Å; W250-E269 HydrophobicContact CZ2-CG 4.37Å; W250-E269 HydrophobicContact CZ3-CB 4.15Å; W250-E269 PolarHBondContact NE1-OE1 3.32Å; W250-E270 HydrophobicContact CH2-CG 4.18Å; W250-L283 HydrophobicContact CZ3-CD1 4.39Å |
| 251 | R | 92.1 | Very high | 83.7 | Confident | 75 Ų | 75 | 55.3 Ų | 55.3 | 28% | 0.283 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 104.1 | 178.8 | -63.1 | -175.3 | 73 | -169.9 | 0.5 | 108.8 | H192 Y194 P249 C273 V274 | H192-R251 HydrophobicContact CB-CG 4.5Å; Y194-R251 HydrophobicContact CE2-CB 3.91Å; Y194-R251 HydrophobicContact CE2-CG 4.22Å; Y194-R251 PolarHBondContact OH-NE 2.93Å; Y194-R251 VanDerWaalsContact OH-NE 3.09Å; Y194-R251 PolarHBondContact OH-NH2 3.1Å; P249-R251 PolarHBondContact O-N 3.33Å; R251-C273 CarbonylContact O-C 3.58Å; R251-C273 WeakPolarHBondContact O-CA 3.32Å; R251-V274 PolarHBondContact O-N 3.22Å |
| 252 | V | 93.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 154.6 | -170.9 | -63.8 | 0 | 0 | 0 | 0 | 112.1 | H192 V193 Y194 W250 W256 Y272 | H192-V252 PolarHBondContact O-N 3.48Å; V193-V252 CarbonylContact C-O 3.57Å; V193-V252 WeakPolarHBondContact CA-O 3.38Å; V193-V252 HydrophobicContact CG2-CG2 3.99Å; Y194-V252 PolarHBondContact N-O 2.87Å; W250-V252 HydrophobicContact CB-CG1 4.4Å; V252-W256 HydrophobicContact CB-CB 4.21Å; V252-W256 HydrophobicContact CB-CG 4.45Å; V252-W256 HydrophobicContact CG2-CB 4.05Å; V252-W256 HydrophobicContact CG2-CD2 4.07Å; V252-W256 HydrophobicContact CG2-CE3 3.89Å; V252-W256 HydrophobicContact CG2-CG 4.13Å; V252-Y272 CarbonylContact C-O 3.49Å; V252-Y272 WeakPolarHBondContact CA-O 3.35Å |
| 253 | H | 92.8 | Very high | 85.3 | Confident | 24 Ų | 24 | 49.9 Ų | 49.9 | 11% | 0.111 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 160.5 | 169.9 | 70.7 | 102.3 | 0 | 0 | 0 | 112.3 | Y194 L197 G255 W256 Y272 V274 | Y194-H253 CarbonylContact O-C 3.54Å; L197-H253 HydrophobicContact CD1-CB 3.74Å; L197-H253 WeakPolarHBondContact CD1-CD2 3.38Å; L197-H253 VanDerWaalsContact CD1-CG 3.46Å; H253-G255 PolarHBondContact ND1-N 3.4Å; H253-G255 PolarHBondContact O-N 3.23Å; H253-W256 PolarHBondContact O-N 2.81Å; H253-W256 VanDerWaalsContact O-N 3.07Å; H253-Y272 PolarHBondContact CD2-O 2.71Å; H253-Y272 AromaticContact CE1-CD1 3.59Å; H253-Y272 PolarHBondContact N-O 3.28Å; H253-Y272 AromaticContact NE2-CD1 3.44Å; H253-Y272 WeakPolarHBondContact NE2-CD1 3.2Å; H253-V274 HydrophobicContact CB-CG1 4.08Å |
| 254 | A | 92.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -19.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | L167 L171 V193 Y194 W256 V257 L258 | L167-A254 HydrophobicContact CD2-CB 4.31Å; L171-A254 HydrophobicContact CD1-CB 4.14Å; L171-A254 HydrophobicContact CD2-CB 4.16Å; V193-A254 HydrophobicContact CG1-CB 4.29Å; Y194-A254 WeakPolarHBondContact O-CB 3.27Å; Y194-A254 PolarHBondContact O-N 3.48Å; A254-W256 PolarHBondContact O-N 2.77Å; A254-V257 PolarHBondContact O-N 2.93Å; A254-L258 HydrophobicContact CB-CD1 4.34Å; A254-L258 VanDerWaalsContact O-CG 3.24Å; A254-L258 WeakPolarHBondContact O-CG 3.43Å; A254-L258 PolarHBondContact O-N 3.04Å; A254-L258 VanDerWaalsContact O-N 3.07Å |
| 255 | G | 91.7 | Very high | 87.7 | Confident | 8 Ų | 8 | 44.9 Ų | 44.9 | 8% | 0.082 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55.9 | -38.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | H253 V257 L258 D259 Y272 | H253-G255 PolarHBondContact ND1-N 3.4Å; H253-G255 PolarHBondContact O-N 3.23Å; G255-V257 VanDerWaalsContact C-N 3.28Å; G255-V257 PolarHBondContact O-N 3Å; G255-L258 PolarHBondContact O-N 2.81Å; G255-D259 WeakPolarHBondContact O-CB 3.4Å; G255-D259 PolarHBondContact O-N 3.12Å; G255-Y272 VanDerWaalsContact C-CD1 3.43Å |
| 256 | W | 93.9 | Very high | 89.4 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 1% | 0.011 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55.2 | -43.2 | -177.4 | 179.9 | 70.2 | 0 | 0 | 0 | 112.4 | P155 V157 H191 V193 V252 H253 A254 T260 W266 M267 E269 Y272 | P155-W256 HydrophobicContact CB-CH2 3.98Å; P155-W256 HydrophobicContact CG-CH2 4.24Å; V157-W256 HydrophobicContact CG2-CZ3 4.15Å; H191-W256 HydrophobicContact CB-CH2 4.36Å; H191-W256 HydrophobicContact CB-CZ3 4.14Å; H191-W256 AromaticContact CD2-CH2 3.32Å; H191-W256 WeakPolarHBondContact CD2-CH2 3.27Å; H191-W256 AromaticContact CD2-CZ2 3.48Å; H191-W256 VanDerWaalsContact CD2-CZ2 3.48Å; H191-W256 WeakPolarHBondContact CD2-CZ2 3.17Å; H191-W256 AromaticContact CD2-CZ3 3.76Å; H191-W256 AromaticContact CE1-CH2 3.92Å; H191-W256 AromaticContact CG-CH2 3.67Å; H191-W256 AromaticContact CG-CZ3 3.94Å; H191-W256 AromaticContact NE2-CH2 3.51Å; H191-W256 AromaticContact NE2-CZ2 3.39Å; H191-W256 WeakPolarHBondContact NE2-CZ2 3.36Å; V193-W256 HydrophobicContact CG2-CE3 4.24Å; V252-W256 HydrophobicContact CB-CB 4.21Å; V252-W256 HydrophobicContact CB-CG 4.45Å; V252-W256 HydrophobicContact CG2-CB 4.05Å; V252-W256 HydrophobicContact CG2-CD2 4.07Å; V252-W256 HydrophobicContact CG2-CE3 3.89Å; V252-W256 HydrophobicContact CG2-CG 4.13Å; H253-W256 PolarHBondContact O-N 2.81Å; H253-W256 VanDerWaalsContact O-N 3.07Å; A254-W256 PolarHBondContact O-N 2.77Å; W256-T260 WeakPolarHBondContact O-CB 3.39Å; W256-T260 PolarHBondContact O-N 3.38Å; W256-T260 PolarHBondContact O-OG1 3.48Å; W256-W266 AromaticContact CH2-CE3 3.71Å; W256-W266 HydrophobicContact CH2-CE3 3.71Å; W256-W266 AromaticContact CH2-CZ3 3.54Å; W256-W266 HydrophobicContact CH2-CZ3 3.54Å; W256-W266 AromaticContact CZ2-CE3 3.74Å; W256-W266 HydrophobicContact CZ2-CE3 3.74Å; W256-W266 HydrophobicContact CZ2-CZ3 4.06Å; W256-W266 HydrophobicContact CZ3-CE3 4.38Å; W256-W266 AromaticContact CZ3-CZ3 3.87Å; W256-W266 HydrophobicContact CZ3-CZ3 3.87Å; W256-M267 PolarHBondContact NE1-O 3Å; W256-M267 WeakPolarHBondContact O-CG 3.37Å; W256-E269 HydrophobicContact CZ2-CG 4.33Å; W256-Y272 HydrophobicContact CB-CD1 3.96Å; W256-Y272 HydrophobicContact CB-CD2 4.1Å; W256-Y272 HydrophobicContact CB-CG 3.66Å; W256-Y272 AromaticContact CD1-CD2 3.87Å; W256-Y272 HydrophobicContact CG-CD2 4.42Å; W256-Y272 HydrophobicContact CG-CG 4.38Å |
| 257 | V | 94.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -78.6 | -41.9 | 175.8 | -179.3 | 0 | 0 | 0 | 0 | 111.3 | L171 I174 I175 V193 A254 G255 D259 T260 D261 | L171-V257 HydrophobicContact CB-CG1 4.42Å; L171-V257 HydrophobicContact CD2-CB 3.55Å; L171-V257 HydrophobicContact CD2-CG1 3.65Å; L171-V257 HydrophobicContact CD2-CG2 4.19Å; I174-V257 HydrophobicContact CB-CG1 3.79Å; I174-V257 HydrophobicContact CD1-CG1 4.37Å; I174-V257 HydrophobicContact CG2-CG1 3.6Å; I174-V257 WeakPolarHBondContact CG2-O 3.47Å; I175-V257 HydrophobicContact CD1-CG1 4.39Å; I175-V257 HydrophobicContact CD1-CG2 4.39Å; I175-V257 HydrophobicContact CG1-CG1 3.83Å; I175-V257 HydrophobicContact CG1-CG2 4.25Å; V193-V257 HydrophobicContact CG1-CG2 4.47Å; V193-V257 HydrophobicContact CG2-CG2 4.05Å; A254-V257 PolarHBondContact O-N 2.93Å; G255-V257 VanDerWaalsContact C-N 3.28Å; G255-V257 PolarHBondContact O-N 3Å; V257-D259 VanDerWaalsContact C-N 3.34Å; V257-D259 PolarHBondContact O-N 3.18Å; V257-T260 WeakPolarHBondContact O-CB 3.48Å; V257-T260 PolarHBondContact O-N 3.13Å; V257-D261 PolarHBondContact O-N 3.5Å |
| 258 | L | 93.6 | Very high | 91.8 | Very high | 30 Ų | 30 | 30.2 Ų | 30.2 | 16% | 0.157 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.8 | -40.8 | -178.3 | -70.7 | 169.2 | 0 | 0 | 0 | 112.2 | L167 R170 L171 I174 A254 G255 D261 V262 | L167-L258 HydrophobicContact CD1-CD1 4.37Å; L167-L258 HydrophobicContact CD1-CD2 4.24Å; R170-L258 VanDerWaalsContact CZ-CD2 3.46Å; L171-L258 HydrophobicContact CD2-CD2 4.42Å; L171-L258 HydrophobicContact CD2-CG 4.18Å; I174-L258 HydrophobicContact CD1-CD2 4.16Å; A254-L258 HydrophobicContact CB-CD1 4.34Å; A254-L258 VanDerWaalsContact O-CG 3.24Å; A254-L258 WeakPolarHBondContact O-CG 3.43Å; A254-L258 PolarHBondContact O-N 3.04Å; A254-L258 VanDerWaalsContact O-N 3.07Å; G255-L258 PolarHBondContact O-N 2.81Å; L258-D261 WeakPolarHBondContact O-CB 3.18Å; L258-D261 PolarHBondContact O-N 2.84Å; L258-V262 PolarHBondContact O-N 3.34Å |
| 259 | D | 93 | Very high | 92.3 | Very high | 45 Ų | 45 | 24.6 Ų | 24.6 | 24% | 0.241 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -79.5 | -26.4 | 179.2 | -62.8 | -35.6 | 0 | 0 | 0 | 112 | G255 V257 D261 V262 F263 M267 Y272 | G255-D259 WeakPolarHBondContact O-CB 3.4Å; G255-D259 PolarHBondContact O-N 3.12Å; V257-D259 VanDerWaalsContact C-N 3.34Å; V257-D259 PolarHBondContact O-N 3.18Å; D259-D261 PolarHBondContact O-N 3.05Å; D259-V262 WeakPolarHBondContact O-CA 3.15Å; D259-V262 WeakPolarHBondContact O-CB 3.31Å; D259-V262 PolarHBondContact O-N 3.48Å; D259-F263 HydrophobicContact CB-CD2 4.3Å; D259-F263 HydrophobicContact CB-CE2 4.46Å; D259-F263 WeakPolarHBondContact O-CD2 3.37Å; D259-F263 PolarHBondContact O-N 3.19Å; D259-M267 HydrophobicContact CB-CE 3.86Å; D259-M267 HydrophobicContact CB-CG 3.98Å; D259-M267 HydrophobicContact CB-SD 4.16Å; D259-Y272 WeakPolarHBondContact CB-OH 3.29Å; D259-Y272 VanDerWaalsContact OD2-CE1 3.3Å; D259-Y272 WeakPolarHBondContact OD2-CE1 3.49Å; D259-Y272 PolarHBondContact OD2-OH 3.26Å |
| 260 | T | 93.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -56.2 | -36.6 | 167.1 | -65.7 | 0 | 0 | 0 | 0 | 111.3 | H178 W256 V257 N264 E265 W266 M267 | H178-T260 HydrophobicContact CB-CG2 4.38Å; H178-T260 PolarHBondContact CE1-O 3.32Å; H178-T260 VanDerWaalsContact NE2-C 3.29Å; H178-T260 PolarHBondContact NE2-O 2.98Å; W256-T260 WeakPolarHBondContact O-CB 3.39Å; W256-T260 PolarHBondContact O-N 3.38Å; W256-T260 PolarHBondContact O-OG1 3.48Å; V257-T260 WeakPolarHBondContact O-CB 3.48Å; V257-T260 PolarHBondContact O-N 3.13Å; T260-N264 VanDerWaalsContact O-CA 3.31Å; T260-N264 WeakPolarHBondContact O-CA 3.33Å; T260-N264 PolarHBondContact O-N 3.36Å; T260-E265 WeakPolarHBondContact CA-O 3.25Å; T260-W266 HydrophobicContact CG2-CD2 3.97Å; T260-W266 HydrophobicContact CG2-CE3 3.81Å; T260-W266 HydrophobicContact CG2-CG 4.42Å; T260-W266 HydrophobicContact CG2-CZ3 4.22Å; T260-M267 WeakPolarHBondContact OG1-CG 3.36Å; T260-M267 PolarHBondContact OG1-N 3.08Å |
| 261 | D | 93.2 | Very high | 92.4 | Very high | 53 Ų | 53 | 22.3 Ų | 22.3 | 28% | 0.283 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -68.7 | -34.2 | 173 | -163.6 | 40.5 | 0 | 0 | 0 | 113.3 | I174 K177 H178 V257 L258 D259 | I174-D261 HydrophobicContact CD1-CB 3.89Å; I174-D261 HydrophobicContact CG1-CB 3.97Å; I174-D261 HydrophobicContact CG2-CB 3.83Å; K177-D261 IonicContact NZ-OD1 2.67Å; K177-D261 PolarHBondContact NZ-OD1 2.86Å; H178-D261 WeakPolarHBondContact NE2-CA 3.47Å; H178-D261 WeakPolarHBondContact NE2-CB 3.48Å; H178-D261 PolarHBondContact NE2-N 3.43Å; H178-D261 VanDerWaalsContact NE2-N 3.12Å; H178-D261 IonicContact NE2-OD1 3.2Å; H178-D261 PolarHBondContact NE2-OD1 3.32Å; H178-D261 VanDerWaalsContact NE2-OD1 3.15Å; V257-D261 PolarHBondContact O-N 3.5Å; L258-D261 WeakPolarHBondContact O-CB 3.18Å; L258-D261 PolarHBondContact O-N 2.84Å; D259-D261 PolarHBondContact O-N 3.05Å |
| 262 | V | 92.4 | Very high | 92.3 | Very high | 60 Ų | 60 | 18.8 Ų | 18.8 | 36% | 0.364 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -76.7 | -39.3 | -178.2 | 174.4 | 0 | 0 | 0 | 0 | 112.6 | R81 L258 D259 | R81-V262 WeakPolarHBondContact CG-O 3.39Å; L258-V262 PolarHBondContact O-N 3.34Å; D259-V262 WeakPolarHBondContact O-CA 3.15Å; D259-V262 WeakPolarHBondContact O-CB 3.31Å; D259-V262 PolarHBondContact O-N 3.48Å |
| 263 | F | 91.5 | Very high | 92.2 | Very high | 9 Ų | 9 | 19 Ų | 19 | 4% | 0.039 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -95.1 | -14.8 | -179.4 | -70.3 | -80.3 | 0 | 0 | 0 | 114 | R81 H223 P224 Y227 D259 E265 M267 | R81-F263 VanDerWaalsContact NH1-CE1 3.3Å; H223-F263 AromaticContact CD2-CE1 3.75Å; H223-F263 AromaticContact CD2-CZ 3.5Å; H223-F263 VanDerWaalsContact CD2-CZ 3.5Å; H223-F263 WeakPolarHBondContact CD2-CZ 3.28Å; H223-F263 AromaticContact NE2-CZ 3.8Å; P224-F263 HydrophobicContact CG-CB 3.91Å; P224-F263 HydrophobicContact CG-CD1 4.16Å; P224-F263 HydrophobicContact CG-CG 3.97Å; Y227-F263 HydrophobicContact CD2-CD1 4.31Å; Y227-F263 HydrophobicContact CD2-CE1 4.3Å; Y227-F263 HydrophobicContact CE1-CE1 4.43Å; Y227-F263 AromaticContact CE2-CD1 3.49Å; Y227-F263 HydrophobicContact CE2-CD1 3.49Å; Y227-F263 VanDerWaalsContact CE2-CD1 3.49Å; Y227-F263 AromaticContact CE2-CE1 3.69Å; Y227-F263 HydrophobicContact CE2-CE1 3.69Å; Y227-F263 AromaticContact CZ-CD1 3.84Å; Y227-F263 AromaticContact CZ-CE1 3.77Å; D259-F263 HydrophobicContact CB-CD2 4.3Å; D259-F263 HydrophobicContact CB-CE2 4.46Å; D259-F263 WeakPolarHBondContact O-CD2 3.37Å; D259-F263 PolarHBondContact O-N 3.19Å; F263-E265 PolarHBondContact O-N 2.97Å; F263-M267 HydrophobicContact CB-SD 4.28Å; F263-M267 HydrophobicContact CD2-CE 3.74Å; F263-M267 HydrophobicContact CD2-SD 3.63Å; F263-M267 HydrophobicContact CE2-CE 3.81Å; F263-M267 HydrophobicContact CE2-SD 4.33Å; F263-M267 HydrophobicContact CG-SD 4.26Å |
| 264 | N | 94.1 | Very high | 92 | Very high | 9 Ų | 9 | 18.1 Ų | 18.1 | 5% | 0.048 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 34.4 | -173.8 | -167.3 | 65.9 | 0 | 0 | 0 | 113.6 | F79 P86 L88 T89 K90 H178 T260 | F79-N264 PolarHBondContact O-ND2 3.39Å; P86-N264 WeakPolarHBondContact CB-ND2 3.35Å; P86-N264 HydrophobicContact CG-CB 4.35Å; L88-N264 PolarHBondContact O-ND2 3.46Å; T89-N264 WeakPolarHBondContact CG2-O 3.27Å; K90-N264 PolarHBondContact N-O 2.97Å; H178-N264 WeakPolarHBondContact CE1-CA 3.47Å; H178-N264 VanDerWaalsContact CE1-CB 3.43Å; H178-N264 WeakPolarHBondContact CE1-CB 3.33Å; H178-N264 PolarHBondContact CE1-OD1 2.94Å; T260-N264 VanDerWaalsContact O-CA 3.31Å; T260-N264 WeakPolarHBondContact O-CA 3.33Å; T260-N264 PolarHBondContact O-N 3.36Å |
| 265 | E | 92.5 | Very high | 91.7 | Very high | 4 Ų | 4 | 20.7 Ų | 20.7 | 2% | 0.019 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -147.7 | 141.5 | -179.2 | -169.4 | 166.2 | -177.5 | 0 | 0 | 107.5 | K90 P224 S226 T260 F263 M267 | K90-E265 HydrophobicContact CB-CB 3.98Å; K90-E265 HydrophobicContact CB-CG 3.96Å; K90-E265 HydrophobicContact CD-CB 4.15Å; K90-E265 WeakPolarHBondContact CE-OE2 3.41Å; K90-E265 IonicContact NZ-OE2 2.74Å; K90-E265 PolarHBondContact NZ-OE2 2.9Å; P224-E265 HydrophobicContact CB-CB 4.17Å; P224-E265 HydrophobicContact CB-CG 4Å; P224-E265 HydrophobicContact CG-CB 4.23Å; P224-E265 HydrophobicContact CG-CG 4.46Å; S226-E265 WeakPolarHBondContact CB-OE1 3.48Å; S226-E265 VanDerWaalsContact CB-OE2 3.25Å; S226-E265 WeakPolarHBondContact CB-OE2 3.36Å; S226-E265 PolarHBondContact OG-OE2 2.95Å; T260-E265 WeakPolarHBondContact CA-O 3.25Å; F263-E265 PolarHBondContact O-N 2.97Å; E265-M267 PolarHBondContact O-N 3.48Å |
| 266 | W | 92.9 | Very high | 91.3 | Very high | 51 Ų | 51 | 27.9 Ų | 27.9 | 19% | 0.193 | 14% | 0.14 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 128.2 | 176.2 | -75.3 | 104.1 | 0 | 0 | 0 | 110 | P155 I175 H178 W256 T260 | P155-W266 HydrophobicContact CB-CH2 4.34Å; P155-W266 HydrophobicContact CB-CZ3 4.48Å; P155-W266 HydrophobicContact CG-CD2 3.96Å; P155-W266 HydrophobicContact CG-CE3 4.11Å; P155-W266 HydrophobicContact CG-CH2 4.14Å; P155-W266 HydrophobicContact CG-CZ2 3.99Å; P155-W266 HydrophobicContact CG-CZ3 4.2Å; I175-W266 HydrophobicContact CG2-CH2 4.49Å; H178-W266 HydrophobicContact CB-CH2 4.28Å; H178-W266 HydrophobicContact CB-CZ2 3.55Å; H178-W266 WeakPolarHBondContact O-CZ2 3.32Å; H178-W266 PolarHBondContact O-NE1 3.15Å; W256-W266 AromaticContact CH2-CE3 3.71Å; W256-W266 HydrophobicContact CH2-CE3 3.71Å; W256-W266 AromaticContact CH2-CZ3 3.54Å; W256-W266 HydrophobicContact CH2-CZ3 3.54Å; W256-W266 AromaticContact CZ2-CE3 3.74Å; W256-W266 HydrophobicContact CZ2-CE3 3.74Å; W256-W266 HydrophobicContact CZ2-CZ3 4.06Å; W256-W266 HydrophobicContact CZ3-CE3 4.38Å; W256-W266 AromaticContact CZ3-CZ3 3.87Å; W256-W266 HydrophobicContact CZ3-CZ3 3.87Å; T260-W266 HydrophobicContact CG2-CD2 3.97Å; T260-W266 HydrophobicContact CG2-CE3 3.81Å; T260-W266 HydrophobicContact CG2-CG 4.42Å; T260-W266 HydrophobicContact CG2-CZ3 4.22Å |
| 267 | M | 92.3 | Very high | 90.7 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.015 | 18% | 0.176 | C | C | . | . | P | Polyproline II helix | trans | -75.7 | 153.8 | -175.9 | -59.9 | -60.5 | -74.9 | 0 | 0 | 112 | M222 P224 W256 D259 T260 F263 E265 E269 Y272 | M222-M267 WeakPolarHBondContact O-CE 3.28Å; P224-M267 HydrophobicContact CB-SD 3.87Å; P224-M267 HydrophobicContact CG-SD 3.98Å; W256-M267 PolarHBondContact NE1-O 3Å; W256-M267 WeakPolarHBondContact O-CG 3.37Å; D259-M267 HydrophobicContact CB-CE 3.86Å; D259-M267 HydrophobicContact CB-CG 3.98Å; D259-M267 HydrophobicContact CB-SD 4.16Å; T260-M267 WeakPolarHBondContact OG1-CG 3.36Å; T260-M267 PolarHBondContact OG1-N 3.08Å; F263-M267 HydrophobicContact CB-SD 4.28Å; F263-M267 HydrophobicContact CD2-CE 3.74Å; F263-M267 HydrophobicContact CD2-SD 3.63Å; F263-M267 HydrophobicContact CE2-CE 3.81Å; F263-M267 HydrophobicContact CE2-SD 4.33Å; F263-M267 HydrophobicContact CG-SD 4.26Å; E265-M267 PolarHBondContact O-N 3.48Å; M267-E269 PolarHBondContact O-N 3Å; M267-Y272 HydrophobicContact CB-CD2 4.42Å; M267-Y272 HydrophobicContact CB-CE2 3.84Å; M267-Y272 HydrophobicContact CE-CE2 4.16Å; M267-Y272 VanDerWaalsContact CE-OH 3.23Å; M267-Y272 WeakPolarHBondContact CE-OH 3.24Å; M267-Y272 HydrophobicContact CG-CE2 4.41Å |
| 268 | N | 90.1 | Very high | 90.1 | Very high | 26 Ų | 26 | 40 Ų | 40 | 14% | 0.139 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -67.5 | 124 | 177.3 | -168 | -63.4 | 0 | 0 | 0 | 110.6 | R207 D225 E270 Y272 | R207-N268 PolarHBondContact NH2-OD1 2.79Å; D225-N268 PolarHBondContact OD1-ND2 2.93Å; N268-E270 VanDerWaalsContact C-N 3.31Å; N268-E270 PolarHBondContact O-N 3.36Å; N268-E270 PolarHBondContact OD1-N 2.95Å; N268-Y272 WeakPolarHBondContact O-CD2 3.32Å |
| 269 | E | 91 | Very high | 89.7 | Confident | 49 Ų | 49 | 43 Ų | 43 | 23% | 0.229 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -65.5 | -30.2 | -171 | -58.5 | 99 | 120.3 | 0 | 0 | 113.7 | H191 W250 W256 M267 D271 Y272 C273 | H191-E269 WeakPolarHBondContact NE2-CG 3.31Å; H191-E269 IonicContact NE2-OE1 2.66Å; W250-E269 HydrophobicContact CD2-CB 3.59Å; W250-E269 HydrophobicContact CD2-CG 4.04Å; W250-E269 HydrophobicContact CE3-CB 3.89Å; W250-E269 HydrophobicContact CG-CB 3.97Å; W250-E269 HydrophobicContact CG-CG 3.97Å; W250-E269 HydrophobicContact CH2-CB 4.15Å; W250-E269 HydrophobicContact CZ2-CB 3.86Å; W250-E269 HydrophobicContact CZ2-CG 4.37Å; W250-E269 HydrophobicContact CZ3-CB 4.15Å; W250-E269 PolarHBondContact NE1-OE1 3.32Å; W256-E269 HydrophobicContact CZ2-CG 4.33Å; M267-E269 PolarHBondContact O-N 3Å; E269-D271 PolarHBondContact O-N 2.94Å; E269-Y272 PolarHBondContact O-N 3.35Å; E269-C273 PolarHBondContact O-N 2.98Å; E269-C273 PolarHBondContact O-SG 3.19Å |
| 270 | E | 89.4 | Confident | 89.3 | Confident | 12 Ų | 12 | 44.3 Ų | 44.3 | 6% | 0.056 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -60.5 | -30.9 | -175.9 | -70.8 | -179.2 | -141.8 | 0 | 0 | 113.4 | R207 V243 W250 N268 L283 R284 | R207-E270 IonicContact CZ-OE2 2.69Å; R207-E270 IonicContact NE-OE2 3.18Å; R207-E270 VanDerWaalsContact NH1-CB 3.31Å; R207-E270 IonicContact NH1-OE2 3.68Å; R207-E270 PolarHBondContact NH1-OE2 3.11Å; V243-E270 HydrophobicContact CG1-CG 4.45Å; V243-E270 WeakPolarHBondContact CG1-OE1 3.49Å; W250-E270 HydrophobicContact CH2-CG 4.18Å; N268-E270 VanDerWaalsContact C-N 3.31Å; N268-E270 PolarHBondContact O-N 3.36Å; N268-E270 PolarHBondContact OD1-N 2.95Å; E270-L283 HydrophobicContact CB-CD1 3.98Å; E270-L283 HydrophobicContact CG-CD1 3.86Å; E270-R284 VanDerWaalsContact CD-NH2 3.28Å; E270-R284 IonicContact OE1-CZ 3.66Å; E270-R284 IonicContact OE1-NE 3.81Å; E270-R284 IonicContact OE1-NH2 3.72Å; E270-R284 PolarHBondContact OE1-NH2 2.83Å; E270-R284 IonicContact OE2-CZ 2.77Å; E270-R284 IonicContact OE2-NE 3.28Å; E270-R284 PolarHBondContact OE2-NE 3.11Å; E270-R284 IonicContact OE2-NH2 2.58Å; E270-R284 PolarHBondContact OE2-NH2 3.34Å; E270-R284 VanDerWaalsContact OE2-NH2 3.11Å |
| 271 | D | 89.3 | Confident | 88.9 | Confident | 8 Ų | 8 | 47.5 Ų | 47.5 | 4% | 0.043 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -76.1 | -30.6 | -171.6 | -80.6 | 25.1 | 0 | 0 | 0 | 112.5 | W205 R207 H219 G221 M222 E269 | W205-D271 WeakPolarHBondContact CH2-OD1 3.49Å; W205-D271 WeakPolarHBondContact CZ2-OD2 3.34Å; R207-D271 IonicContact CZ-OD1 3.68Å; R207-D271 IonicContact NH1-OD1 2.77Å; R207-D271 PolarHBondContact NH1-OD1 2.8Å; R207-D271 IonicContact NH2-OD1 3.07Å; R207-D271 PolarHBondContact NH2-OD1 3.15Å; H219-D271 IonicContact NE2-OD1 2.82Å; H219-D271 IonicContact NE2-OD2 2.86Å; G221-D271 VanDerWaalsContact CA-OD2 3.31Å; G221-D271 WeakPolarHBondContact CA-OD2 3.45Å; M222-D271 PolarHBondContact N-OD2 3.03Å; M222-D271 HydrophobicContact SD-CB 4.07Å; E269-D271 PolarHBondContact O-N 2.94Å |
| 272 | Y | 91.4 | Very high | 88.6 | Confident | 1 Ų | 1 | 50 Ų | 50 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -100.7 | 3.6 | -175.6 | -61.7 | -91.6 | 0 | 0 | 0 | 112.6 | M222 V252 H253 G255 W256 D259 M267 N268 E269 | M222-Y272 HydrophobicContact CE-CD1 3.85Å; M222-Y272 HydrophobicContact CE-CE1 3.34Å; M222-Y272 HydrophobicContact SD-CE1 4.28Å; M222-Y272 HydrophobicContact SD-CE2 4.49Å; V252-Y272 CarbonylContact C-O 3.49Å; V252-Y272 WeakPolarHBondContact CA-O 3.35Å; H253-Y272 PolarHBondContact CD2-O 2.71Å; H253-Y272 AromaticContact CE1-CD1 3.59Å; H253-Y272 PolarHBondContact N-O 3.28Å; H253-Y272 AromaticContact NE2-CD1 3.44Å; H253-Y272 WeakPolarHBondContact NE2-CD1 3.2Å; G255-Y272 VanDerWaalsContact C-CD1 3.43Å; W256-Y272 HydrophobicContact CB-CD1 3.96Å; W256-Y272 HydrophobicContact CB-CD2 4.1Å; W256-Y272 HydrophobicContact CB-CG 3.66Å; W256-Y272 AromaticContact CD1-CD2 3.87Å; W256-Y272 HydrophobicContact CG-CD2 4.42Å; W256-Y272 HydrophobicContact CG-CG 4.38Å; D259-Y272 WeakPolarHBondContact CB-OH 3.29Å; D259-Y272 VanDerWaalsContact OD2-CE1 3.3Å; D259-Y272 WeakPolarHBondContact OD2-CE1 3.49Å; D259-Y272 PolarHBondContact OD2-OH 3.26Å; M267-Y272 HydrophobicContact CB-CD2 4.42Å; M267-Y272 HydrophobicContact CB-CE2 3.84Å; M267-Y272 HydrophobicContact CE-CE2 4.16Å; M267-Y272 VanDerWaalsContact CE-OH 3.23Å; M267-Y272 WeakPolarHBondContact CE-OH 3.24Å; M267-Y272 HydrophobicContact CG-CE2 4.41Å; N268-Y272 WeakPolarHBondContact O-CD2 3.32Å; E269-Y272 PolarHBondContact O-N 3.35Å |
| 273 | C | 90.8 | Very high | 88.2 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 3% | 0.027 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -60.3 | 136.9 | -177.6 | -83.7 | 0 | 0 | 0 | 0 | 112.6 | R251 E269 L281 L283 | R251-C273 CarbonylContact O-C 3.58Å; R251-C273 WeakPolarHBondContact O-CA 3.32Å; E269-C273 PolarHBondContact O-N 2.98Å; E269-C273 PolarHBondContact O-SG 3.19Å; C273-L281 HydrophobicContact CB-CB 4.1Å; C273-L281 PolarHBondContact O-N 3.05Å; C273-L283 HydrophobicContact CB-CD1 4.28Å |
| 274 | V | 89.1 | Confident | 87.9 | Confident | 6 Ų | 6 | 49.4 Ų | 49.4 | 4% | 0.036 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -129.2 | 148.1 | 176.8 | -65.4 | 0 | 0 | 0 | 0 | 112.1 | Y194 L197 R251 H253 L279 | Y194-V274 HydrophobicContact CD2-CG2 3.65Å; Y194-V274 HydrophobicContact CE2-CG2 4.35Å; Y194-V274 HydrophobicContact CG-CG2 4.31Å; L197-V274 HydrophobicContact CD1-CG1 4.02Å; R251-V274 PolarHBondContact O-N 3.22Å; H253-V274 HydrophobicContact CB-CG1 4.08Å; V274-L279 VanDerWaalsContact CA-O 3.27Å; V274-L279 WeakPolarHBondContact CA-O 3.4Å |
| 275 | N | 85.7 | Confident | 87.4 | Confident | 54 Ų | 54 | 54.7 Ų | 54.7 | 29% | 0.289 | 26% | 0.262 | S | S | . | . | trans | -84.6 | 179.2 | 174.4 | 68.9 | 31.5 | 0 | 0 | 0 | 112.5 | R277 N278 L279 | N275-R277 PolarHBondContact O-N 3.05Å; N275-R277 PolarHBondContact OD1-N 3.36Å; N275-N278 PolarHBondContact O-N 3.14Å; N275-L279 PolarHBondContact N-O 2.99Å; N275-L279 PolarHBondContact OD1-N 2.95Å | ||
| 276 | E | 83.5 | Confident | 87.2 | Confident | 159 Ų | 159 | 57.3 Ų | 57.3 | 74% | 0.743 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -16.4 | 178.5 | -69.6 | -178 | 157.9 | 0 | 0 | 116.2 | ||
| 277 | R | 80.8 | Confident | 87 | Confident | 205 Ų | 205 | 56.3 Ų | 56.3 | 77% | 0.774 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | 14.3 | -176.7 | -54.5 | -179.1 | -173.4 | 172.3 | 3.5 | 112.4 | N275 L279 | N275-R277 PolarHBondContact O-N 3.05Å; N275-R277 PolarHBondContact OD1-N 3.36Å; R277-L279 HydrophobicContact CB-CD1 4.34Å; R277-L279 HydrophobicContact CB-CG 4.3Å; R277-L279 PolarHBondContact O-N 3.39Å |
| 278 | N | 82.4 | Confident | 86.6 | Confident | 52 Ų | 52 | 60.9 Ų | 60.9 | 28% | 0.278 | 29% | 0.292 | S | S | . | . | S | Bend | trans | 53.4 | 39.7 | -174.5 | -61.3 | -9.2 | 0 | 0 | 0 | 112.7 | L197 N275 | L197-N278 WeakPolarHBondContact CD2-O 3.46Å; N275-N278 PolarHBondContact O-N 3.14Å |
| 279 | L | 84.3 | Confident | 85.8 | Confident | 94 Ų | 94 | 62.3 Ų | 62.3 | 49% | 0.492 | 30% | 0.299 | S | S | . | . | trans | -106 | 150.9 | 170.4 | -57.9 | 173.8 | 0 | 0 | 0 | 109.7 | V274 N275 R277 | V274-L279 VanDerWaalsContact CA-O 3.27Å; V274-L279 WeakPolarHBondContact CA-O 3.4Å; N275-L279 PolarHBondContact N-O 2.99Å; N275-L279 PolarHBondContact OD1-N 2.95Å; R277-L279 HydrophobicContact CB-CD1 4.34Å; R277-L279 HydrophobicContact CB-CG 4.3Å; R277-L279 PolarHBondContact O-N 3.39Å | ||
| 280 | P | 84.8 | Confident | 84.1 | Confident | 71 Ų | 71 | 68.8 Ų | 68.8 | 46% | 0.461 | 33% | 0.329 | S | S | . | . | B | Isolated β-bridge | trans | -62.2 | 141.2 | -176.9 | -19.4 | 33.1 | 0 | 0 | 0 | 111.9 | L197 | L197-P280 HydrophobicContact CD1-CG 4.42Å; L197-P280 VanDerWaalsContact CD2-CD 3.48Å; L197-P280 HydrophobicContact CD2-CG 3.69Å |
| 281 | L | 86.1 | Confident | 82 | Confident | 68 Ų | 68 | 75.2 Ų | 75.2 | 36% | 0.356 | 36% | 0.359 | S | S | . | . | trans | -109.9 | 102.6 | 176 | -176.9 | 64.9 | 0 | 0 | 0 | 109.3 | C273 L283 | C273-L281 HydrophobicContact CB-CB 4.1Å; C273-L281 PolarHBondContact O-N 3.05Å; L281-L283 HydrophobicContact CD2-CD2 3.8Å; L281-L283 HydrophobicContact CD2-CG 4.5Å; L281-L283 HydrophobicContact CG-CD2 3.94Å; L281-L283 HydrophobicContact CG-CG 4.34Å; L281-L283 PolarHBondContact O-N 3.37Å | ||
| 282 | I | 86.1 | Confident | 79.6 | Confident | 104 Ų | 104 | 82.9 Ų | 82.9 | 53% | 0.533 | 40% | 0.4 | S | S | . | . | trans | -79.8 | 105.6 | 175.4 | -58.4 | 176.3 | 0 | 0 | 0 | 108 | R284 R286 | I282-R284 VanDerWaalsContact CG2-O 3.22Å; I282-R284 WeakPolarHBondContact CG2-O 3.47Å; I282-R286 HydrophobicContact CG2-CG 4.01Å | ||
| 283 | L | 83.5 | Confident | 76.9 | Confident | 32 Ų | 32 | 90.3 Ų | 90.3 | 17% | 0.168 | 44% | 0.435 | C | S | . | . | trans | -81.6 | -32.8 | -177 | -69 | 171.7 | 0 | 0 | 0 | 113.5 | P244 V246 W250 E270 C273 L281 | P244-L283 HydrophobicContact CB-CD2 4.35Å; P244-L283 HydrophobicContact CG-CB 4.03Å; P244-L283 HydrophobicContact CG-CD2 4.25Å; P244-L283 WeakPolarHBondContact CG-O 3.38Å; V246-L283 HydrophobicContact CG2-CD1 3.79Å; V246-L283 HydrophobicContact CG2-CD2 3.76Å; V246-L283 HydrophobicContact CG2-CG 4.47Å; W250-L283 HydrophobicContact CZ3-CD1 4.39Å; E270-L283 HydrophobicContact CB-CD1 3.98Å; E270-L283 HydrophobicContact CG-CD1 3.86Å; C273-L283 HydrophobicContact CB-CD1 4.28Å; L281-L283 HydrophobicContact CD2-CD2 3.8Å; L281-L283 HydrophobicContact CD2-CG 4.5Å; L281-L283 HydrophobicContact CG-CD2 3.94Å; L281-L283 HydrophobicContact CG-CG 4.34Å; L281-L283 PolarHBondContact O-N 3.37Å | ||
| 284 | R | 85.9 | Confident | 74.3 | Confident | 26 Ų | 26 | 97.6 Ų | 97.6 | 10% | 0.098 | 47% | 0.474 | C | S | . | . | S | Bend | trans | -135.2 | 155.1 | -178 | -68.2 | -165.6 | -94.1 | -177.5 | 2 | 111.3 | E241 D242 E270 I282 R286 | E241-R284 HydrophobicContact CB-CG 4.16Å; E241-R284 VanDerWaalsContact O-CD 3.29Å; E241-R284 WeakPolarHBondContact O-CD 3.29Å; E241-R284 PolarHBondContact O-NH1 3.42Å; E241-R284 WeakPolarHBondContact OE2-CA 3.39Å; E241-R284 VanDerWaalsContact OE2-CB 3.3Å; E241-R284 WeakPolarHBondContact OE2-CB 3.35Å; D242-R284 WeakPolarHBondContact O-CD 3.4Å; E270-R284 VanDerWaalsContact CD-NH2 3.28Å; E270-R284 IonicContact OE1-CZ 3.66Å; E270-R284 IonicContact OE1-NE 3.81Å; E270-R284 IonicContact OE1-NH2 3.72Å; E270-R284 PolarHBondContact OE1-NH2 2.83Å; E270-R284 IonicContact OE2-CZ 2.77Å; E270-R284 IonicContact OE2-NE 3.28Å; E270-R284 PolarHBondContact OE2-NE 3.11Å; E270-R284 IonicContact OE2-NH2 2.58Å; E270-R284 PolarHBondContact OE2-NH2 3.34Å; E270-R284 VanDerWaalsContact OE2-NH2 3.11Å; I282-R284 VanDerWaalsContact CG2-O 3.22Å; I282-R284 WeakPolarHBondContact CG2-O 3.47Å; R284-R286 PolarHBondContact O-N 2.87Å |
| 285 | Q | 84.2 | Confident | 71.6 | Confident | 119 Ų | 119 | 101.2 Ų | 101.2 | 56% | 0.556 | 50% | 0.499 | S | S | * | . | trans | -58.1 | 125.4 | -178.9 | -177.1 | 174.3 | -14.7 | 0 | 0 | 111.2 | E241 | E241-Q285 PolarHBondContact OE2-N 2.96Š| ||
| 286 | R | 88.6 | Confident | 69.1 | Low | 59 Ų | 59 | 107.5 Ų | 107.5 | 22% | 0.223 | 52% | 0.524 | C | S | . | . | trans | -95 | 123.4 | 177.1 | -60.1 | -172.6 | 168.7 | -172.3 | -3.2 | 109.8 | W205 I282 R284 | W205-R286 HydrophobicContact CB-CB 4.23Å; W205-R286 HydrophobicContact CD2-CB 3.96Å; W205-R286 HydrophobicContact CD2-CG 3.75Å; W205-R286 HydrophobicContact CE3-CB 3.73Å; W205-R286 HydrophobicContact CE3-CG 3.48Å; W205-R286 VanDerWaalsContact CE3-CG 3.48Å; W205-R286 HydrophobicContact CG-CB 4.18Å; W205-R286 HydrophobicContact CG-CG 4.39Å; W205-R286 HydrophobicContact CH2-CG 4.29Å; W205-R286 HydrophobicContact CZ2-CG 4.5Å; W205-R286 VanDerWaalsContact CZ2-NE 3.32Å; W205-R286 HydrophobicContact CZ3-CB 4.46Å; W205-R286 HydrophobicContact CZ3-CG 3.78Å; I282-R286 HydrophobicContact CG2-CG 4.01Å; R284-R286 PolarHBondContact O-N 2.87Å | ||
| 287 | I | 87 | Confident | 66.5 | Low | 31 Ų | 31 | 105.7 Ų | 105.7 | 16% | 0.159 | 53% | 0.529 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 113.7 | 173.5 | -51.5 | 158.8 | 0 | 0 | 0 | 107.1 | W205 M206 P208 V236 E237 | W205-I287 CarbonylContact C-O 3.6Å; W205-I287 WeakPolarHBondContact CA-O 3.37Å; W205-I287 WeakPolarHBondContact CB-O 3.44Å; M206-I287 HydrophobicContact CE-CD1 3.97Å; M206-I287 HydrophobicContact CG-CB 4.29Å; M206-I287 PolarHBondContact N-O 2.97Å; M206-I287 WeakPolarHBondContact O-CB 3.48Å; M206-I287 PolarHBondContact O-N 2.98Å; P208-I287 HydrophobicContact CG-CD1 3.86Å; V236-I287 HydrophobicContact CG1-CD1 4.01Å; E237-I287 WeakPolarHBondContact O-CD1 3.17Å; E237-I287 WeakPolarHBondContact O-CG1 3.14Å |
| 288 | H | 84.3 | Confident | 64.2 | Low | 99 Ų | 99 | 102.2 Ų | 102.2 | 46% | 0.458 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 136.3 | 179.4 | -70.9 | -96.5 | 0 | 0 | 0 | 111.3 | D203 Q290 | D203-H288 WeakPolarHBondContact CB-ND1 3.21Å; D203-H288 PolarHBondContact O-ND1 3.39Å; H288-Q290 PolarHBondContact O-N 3.09Å |
| 289 | L | 73.6 | Confident | 62.8 | Low | 56 Ų | 56 | 104.4 Ų | 104.4 | 29% | 0.293 | 55% | 0.548 | S | S | . | . | trans | -81.2 | 106.9 | 174.9 | -67.5 | -179.9 | 0 | 0 | 0 | 110.5 | A17 E204 W220 E291 | A17-L289 VanDerWaalsContact O-CD1 3.25Å; A17-L289 WeakPolarHBondContact O-CD1 3.33Å; E204-L289 HydrophobicContact CG-CD1 4.29Å; E204-L289 PolarHBondContact O-N 2.87Å; W220-L289 HydrophobicContact CH2-CD1 3.97Å; W220-L289 HydrophobicContact CZ3-CD1 3.72Å; W220-L289 HydrophobicContact CZ3-CG 4.5Å; L289-E291 PolarHBondContact O-N 2.8Å | ||
| 290 | Q | 55.8 | Low | 60.1 | Low | 184 Ų | 184 | 108.9 Ų | 108.9 | 86% | 0.86 | 56% | 0.563 | S | S | * | * | trans | -78 | 107.8 | 175.8 | -174.2 | 159.7 | 50.3 | 0 | 0 | 111 | H288 D292 | H288-Q290 PolarHBondContact O-N 3.09Å; Q290-D292 PolarHBondContact O-N 2.56Å | ||
| 291 | E | 45.2 | Very low | 57.8 | Low | 147 Ų | 147 | 114.2 Ų | 114.2 | 69% | 0.687 | 58% | 0.579 | S | S | * | * | trans | -67.9 | 112.9 | 169.9 | -76 | -157.3 | 160.5 | 0 | 0 | 111.2 | L289 Q293 | L289-E291 PolarHBondContact O-N 2.8Å; E291-Q293 VanDerWaalsContact C-N 3.27Å; E291-Q293 HydrophobicContact CB-CG 4.31Å; E291-Q293 PolarHBondContact O-N 2.9Å; E291-Q293 PolarHBondContact OE2-NE2 2.86Å | ||
| 292 | D | 37.9 | Very low | 55.1 | Low | 170 Ų | 170 | 119.6 Ų | 119.6 | 91% | 0.909 | 60% | 0.6 | S | S | * | * | trans | -76.4 | 73.9 | 176.1 | -132.8 | -5.4 | 0 | 0 | 0 | 110.5 | Q290 | Q290-D292 PolarHBondContact O-N 2.56Š| ||
| 293 | Q | 36.1 | Very low | 52.5 | Low | 156 Ų | 156 | 123.9 Ų | 123.9 | 73% | 0.729 | 61% | 0.609 | S | S | * | * | trans | -88.1 | 118.9 | 176.7 | -69 | -155.1 | 33.3 | 0 | 0 | 112.9 | E291 S295 | E291-Q293 VanDerWaalsContact C-N 3.27Å; E291-Q293 HydrophobicContact CB-CG 4.31Å; E291-Q293 PolarHBondContact O-N 2.9Å; E291-Q293 PolarHBondContact OE2-NE2 2.86Å; Q293-S295 PolarHBondContact O-N 2.96Å | ||
| 294 | D | 35.8 | Very low | 50.1 | Low | 158 Ų | 158 | 130.3 Ų | 130.3 | 85% | 0.845 | 63% | 0.631 | S | S | * | * | trans | -73 | 117.1 | -174.3 | -147.6 | -20.8 | 0 | 0 | 0 | 112.8 | ||||
| 295 | S | 32.4 | Very low | 47.3 | Very low | 81 Ų | 81 | 138.3 Ų | 138.3 | 57% | 0.566 | 66% | 0.662 | S | S | * | * | 152.4 | 141.2 | 110.7 | 66.5 | 0 | 0 | 0 | 0 | 118.8 | Q293 | Q293-S295 PolarHBondContact O-N 2.96Š| |||
| 296 | K | 32.3 | Very low | 44.6 | Very low | 187 Ų | 187 | 137.5 Ų | 137.5 | 81% | 0.813 | 67% | 0.669 | S | S | * | * | trans | 57.3 | 102.8 | 148.2 | -62.7 | 157.8 | -171.6 | 160.3 | 0 | 120.2 | ||||
| 297 | S | 29 | Very low | 42.1 | Very low | 121 Ų | 121 | 140.6 Ų | 140.6 | 85% | 0.846 | 70% | 0.696 | S | S | * | * | 159.6 | 166.6 | 91.1 | 58.4 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 298 | T | 32.8 | Very low | 39.6 | Very low | 132 Ų | 132 | 144.4 Ų | 144.4 | 81% | 0.81 | 73% | 0.726 | S | S | * | * | trans | -133.6 | -177.3 | -164.2 | 70.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 299 | P | 52.6 | Low | 37.3 | Very low | 98 Ų | 98 | 145.3 Ų | 145.3 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | cis | -136.4 | -176.4 | -5.8 | 42.9 | -27.2 | 0 | 0 | 0 | 114.6 | ||||
| 300 | F | 28.2 | Very low | 35.1 | Very low | 188 Ų | 188 | 147.5 Ų | 147.5 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | -167.8 | 165.8 | 117.8 | -114.7 | -77.9 | 0 | 0 | 0 | 113.6 | |||||
| 301 | K | 35.8 | Very low | 33.9 | Very low | 182 Ų | 182 | 144.2 Ų | 144.2 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | trans | -131.1 | 158.1 | -172.1 | -64.5 | 174.4 | 175.9 | 174.5 | 0 | 112.7 | ||||
| 302 | K | 29.8 | Very low | 33 | Very low | 181 Ų | 181 | 144 Ų | 144 | 79% | 0.787 | 76% | 0.757 | S | S | * | * | trans | 171.4 | 145.9 | 133.9 | -84 | 142.2 | -168.6 | 172.4 | 0 | 107.9 | ||||
| 303 | R | 32.5 | Very low | 32.7 | Very low | 195 Ų | 195 | 139.2 Ų | 139.2 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | cis | -165 | 161 | -5.9 | -106.7 | 160.8 | 60.5 | 157.5 | -14.2 | 105.7 | ||||
| 304 | R | 32.1 | Very low | 32.4 | Very low | 166 Ų | 166 | 141.5 Ų | 141.5 | 63% | 0.626 | 75% | 0.749 | S | S | * | * | cis | -167.9 | 141.6 | 25.4 | -139.7 | -178.4 | -179.4 | -162.1 | -0.6 | 113.2 | ||||
| 305 | R | 28.3 | Very low | 32.2 | Very low | 195 Ų | 195 | 141.4 Ų | 141.4 | 74% | 0.736 | 74% | 0.741 | S | S | * | * | trans | 56.9 | 108.3 | 144.8 | -77.5 | 175.1 | 176.6 | -156.5 | -5.9 | 121.2 | ||||
| 306 | S | 27.7 | Very low | 32.1 | Very low | 101 Ų | 101 | 147.2 Ų | 147.2 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | 72.7 | 147.8 | 72.8 | 73.5 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 307 | P | 36 | Very low | 31.9 | Very low | 124 Ų | 124 | 141.6 Ų | 141.6 | 81% | 0.805 | 75% | 0.752 | S | S | * | * | cis | -137.4 | -179.3 | 14.5 | 42.4 | -24.3 | 0 | 0 | 0 | 117.2 | ||||
| 308 | S | 33.3 | Very low | 32.1 | Very low | 111 Ų | 111 | 145.2 Ų | 145.2 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | -109.6 | 168.1 | 168.2 | -44.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 309 | P | 36.9 | Very low | 32 | Very low | 118 Ų | 118 | 148.5 Ų | 148.5 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | -129.9 | 135.6 | 122.9 | 8.7 | 13.1 | 0 | 0 | 0 | 111.1 | |||||
| 310 | S | 27 | Very low | 30.9 | Very low | 103 Ų | 103 | 147.6 Ų | 147.6 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | 72.9 | 138.9 | 58 | 80.4 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 311 | T | 30.6 | Very low | 30.9 | Very low | 115 Ų | 115 | 148.2 Ų | 148.2 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | cis | -151 | 163.6 | 36.4 | 48.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 312 | D | 26.3 | Very low | 30.7 | Very low | 142 Ų | 142 | 149.1 Ų | 149.1 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | trans | 20.7 | 152.4 | 149.2 | -65.6 | -84.7 | 0 | 0 | 0 | 124.1 | ||||
| 313 | G | 30.5 | Very low | 30.6 | Very low | 69 Ų | 69 | 151.4 Ų | 151.4 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | cis | 152.7 | 150.6 | -8.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 314 | R | 30.7 | Very low | 30.3 | Very low | 204 Ų | 204 | 145 Ų | 145 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | trans | 77 | 112.2 | 150.3 | -69.9 | 177.3 | 165.5 | -179.6 | 0.9 | 123.1 | ||||
| 315 | K | 32.1 | Very low | 30.2 | Very low | 156 Ų | 156 | 145.7 Ų | 145.7 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | 92.7 | 122.8 | 121 | -71.1 | 173 | 179.8 | 176.5 | 0 | 122.6 | |||||
| 316 | K | 29.3 | Very low | 30.2 | Very low | 203 Ų | 203 | 142.9 Ų | 142.9 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | trans | 53 | 127.9 | 133.7 | -59.6 | -178.3 | 173.3 | -172.5 | 0 | 118.9 | ||||
| 317 | G | 28.7 | Very low | 30.1 | Very low | 70 Ų | 70 | 145.8 Ų | 145.8 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | cis | 116.2 | 141.7 | 7.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 318 | K | 33.9 | Very low | 29.5 | Very low | 196 Ų | 196 | 148.3 Ų | 148.3 | 85% | 0.852 | 77% | 0.767 | S | S | * | * | trans | 157.8 | 122.6 | 156.8 | -96.1 | 178.1 | 179.3 | 176.6 | 0 | 115.1 | ||||
| 319 | K | 29.3 | Very low | 29.3 | Very low | 202 Ų | 202 | 151.5 Ų | 151.5 | 88% | 0.878 | 77% | 0.77 | S | S | * | * | trans | 62.8 | 114 | 132.2 | -65.6 | -169.8 | 171 | -167 | 0 | 124.5 | ||||
| 320 | G | 29 | Very low | 29.4 | Very low | 78 Ų | 78 | 150.6 Ų | 150.6 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | 107.3 | 165.3 | 121.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 321 | R | 30.2 | Very low | 29.5 | Very low | 202 Ų | 202 | 154.4 Ų | 154.4 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | cis | -175.2 | 121 | -21.5 | 179.5 | -173.1 | -169.4 | -151.6 | 7.3 | 112.1 | ||||
| 322 | R | 30.6 | Very low | 29.6 | Very low | 201 Ų | 201 | 156.8 Ų | 156.8 | 76% | 0.758 | 77% | 0.773 | S | S | * | * | trans | 67.6 | 155.1 | 164.4 | -74 | 175.8 | 171.9 | -172.5 | -4.8 | 117.3 | ||||
| 323 | R | 26.9 | Very low | 30 | Very low | 228 Ų | 228 | 155.8 Ų | 155.8 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | cis | -178.5 | 139.9 | -13.6 | 170.1 | -170.9 | -170 | -164.2 | 5.2 | 110.7 | ||||
| 324 | G | 27.4 | Very low | 30.5 | Very low | 62 Ų | 62 | 160.1 Ų | 160.1 | 64% | 0.639 | 77% | 0.774 | S | S | * | * | trans | 119.1 | 116.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 325 | Q | 29.9 | Very low | 31.3 | Very low | 179 Ų | 179 | 156 Ų | 156 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | 69.1 | 130.8 | 75.3 | -87.1 | -179.4 | -55.9 | 0 | 0 | 113.5 | |||||
| 326 | Q | 27.2 | Very low | 31.8 | Very low | 137 Ų | 137 | 157.2 Ų | 157.2 | 64% | 0.64 | 78% | 0.776 | S | S | * | * | cis | -163.6 | 143.3 | 12.5 | 166.5 | 176.9 | -6.4 | 0 | 0 | 111.7 | ||||
| 327 | E | 25.8 | Very low | 32.6 | Very low | 162 Ų | 162 | 155 Ų | 155 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | trans | 48.6 | 151.1 | 162.8 | -69.5 | 150.6 | 174.2 | 0 | 0 | 119.2 | ||||
| 328 | E | 25.1 | Very low | 33.1 | Very low | 176 Ų | 176 | 160.4 Ų | 160.4 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | cis | -155.5 | 158.9 | 25.5 | -160.9 | 170 | -138.5 | 0 | 0 | 111.5 | ||||
| 329 | E | 28.9 | Very low | 33.5 | Very low | 179 Ų | 179 | 160.4 Ų | 160.4 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | 66 | 165.5 | 168.2 | -76.4 | -82.2 | 93.2 | 0 | 0 | 119.8 | ||||
| 330 | P | 38.8 | Very low | 33.8 | Very low | 98 Ų | 98 | 158.1 Ų | 158.1 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | trans | -115.8 | -158.1 | -150.3 | 45.7 | -38.2 | 0 | 0 | 0 | 116.9 | ||||
| 331 | E | 29.1 | Very low | 34.3 | Very low | 184 Ų | 184 | 160 Ų | 160 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | 76.4 | 149.3 | -169.1 | -51 | -170.3 | 155.3 | 0 | 0 | 113.3 | ||||
| 332 | E | 31.7 | Very low | 34.8 | Very low | 165 Ų | 165 | 156.4 Ų | 156.4 | 77% | 0.771 | 78% | 0.782 | S | S | * | * | cis | -131.2 | 160.9 | 11.4 | -62.9 | 172.6 | 114.5 | 0 | 0 | 112.6 | ||||
| 333 | D | 34.8 | Very low | 35.1 | Very low | 120 Ų | 120 | 152.6 Ų | 152.6 | 64% | 0.642 | 78% | 0.783 | S | S | * | * | trans | -88.6 | 115.9 | 168 | -173.9 | -32.9 | 0 | 0 | 0 | 110.8 | T335 | D333-T335 VanDerWaalsContact C-N 3.31Å; D333-T335 PolarHBondContact O-N 2.96Å; D333-T335 WeakPolarHBondContact OD1-CB 3.45Å; D333-T335 WeakPolarHBondContact OD1-CG2 3.2Å; D333-T335 PolarHBondContact OD1-N 2.91Å; D333-T335 PolarHBondContact OD1-OG1 2.98Å | ||
| 334 | L | 42 | Very low | 35.5 | Very low | 161 Ų | 161 | 148.1 Ų | 148.1 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | 45.5 | -177.9 | -74.2 | 170 | 0 | 0 | 0 | 113.7 | ||
| 335 | T | 46 | Very low | 36 | Very low | 116 Ų | 116 | 150.8 Ų | 150.8 | 71% | 0.712 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -5 | 166.2 | 49.6 | 0 | 0 | 0 | 0 | 113.8 | D333 D337 | D333-T335 VanDerWaalsContact C-N 3.31Å; D333-T335 PolarHBondContact O-N 2.96Å; D333-T335 WeakPolarHBondContact OD1-CB 3.45Å; D333-T335 WeakPolarHBondContact OD1-CG2 3.2Å; D333-T335 PolarHBondContact OD1-N 2.91Å; D333-T335 PolarHBondContact OD1-OG1 2.98Å; T335-D337 PolarHBondContact O-N 3.4Å |
| 336 | K | 42.9 | Very low | 36 | Very low | 182 Ų | 182 | 149.1 Ų | 149.1 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -76.7 | 81.9 | 173.9 | -175.8 | -172.7 | 179.2 | -176.9 | 0 | 111.7 | ||||
| 337 | D | 46.9 | Very low | 36.1 | Very low | 156 Ų | 156 | 151 Ų | 151 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | trans | 178.2 | 56 | 149.9 | -93 | -11.6 | 0 | 0 | 0 | 112.6 | T335 | T335-D337 PolarHBondContact O-N 3.4Š| ||
| 338 | M | 38.8 | Very low | 36.3 | Very low | 184 Ų | 184 | 151.9 Ų | 151.9 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | trans | -141.6 | 124.5 | 157.2 | -75.8 | -162.3 | 66.3 | 0 | 0 | 109.7 | ||||
| 339 | E | 41.3 | Very low | 36.5 | Very low | 197 Ų | 197 | 149.2 Ų | 149.2 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 153.1 | -175.8 | -65.5 | 178.1 | 114.1 | 0 | 0 | 113.3 | ||
| 340 | D | 37.1 | Very low | 36.4 | Very low | 154 Ų | 154 | 146.2 Ų | 146.2 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 141.6 | -175.6 | -78.4 | -56.5 | 0 | 0 | 0 | 114.6 | ||
| 341 | P | 39.3 | Very low | 35.9 | Very low | 118 Ų | 118 | 147.1 Ų | 147.1 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 131.1 | 165.4 | 31.6 | -32.8 | 0 | 0 | 0 | 111.1 | ||
| 342 | T | 40.5 | Very low | 35.8 | Very low | 126 Ų | 126 | 145.8 Ų | 145.8 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 136.4 | -175 | -36.6 | 0 | 0 | 0 | 0 | 112.7 | V344 | T342-V344 PolarHBondContact O-N 2.85Š|
| 343 | P | 37.3 | Very low | 36.2 | Very low | 120 Ų | 120 | 142.8 Ų | 142.8 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 128.1 | 175.9 | -20 | 32.3 | 0 | 0 | 0 | 112.5 | ||
| 344 | V | 35.9 | Very low | 35.9 | Very low | 134 Ų | 134 | 145.9 Ų | 145.9 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | -106.8 | 118.2 | 170.4 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | T342 | T342-V344 PolarHBondContact O-N 2.85Š| ||
| 345 | P | 36.9 | Very low | 35.3 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -75.9 | 139.9 | 176.4 | -9.4 | 25.3 | 0 | 0 | 0 | 111.1 | ||||
| 346 | N | 28.8 | Very low | 34.4 | Very low | 144 Ų | 144 | 145 Ų | 145 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | -152.5 | 97.5 | 161 | -154.6 | 59.6 | 0 | 0 | 0 | 111.9 | ||||
| 347 | M | 30.4 | Very low | 33.7 | Very low | 176 Ų | 176 | 144 Ų | 144 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | -122.9 | 122.2 | 159.7 | -83.4 | -179.8 | 64.2 | 0 | 0 | 107.6 | ||||
| 348 | E | 29.7 | Very low | 33 | Very low | 181 Ų | 181 | 142.9 Ų | 142.9 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | -82.1 | 126.4 | 173.9 | -66.3 | -178.6 | 128.2 | 0 | 0 | 109.8 | ||||
| 349 | V | 30.1 | Very low | 32.7 | Very low | 120 Ų | 120 | 143.5 Ų | 143.5 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -127.9 | 117.6 | 165.4 | -180 | 0 | 0 | 0 | 0 | 108 | ||||
| 350 | V | 26.8 | Very low | 32.2 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 70% | 0.697 | 78% | 0.775 | S | S | * | * | trans | -65.4 | 135.4 | -177.5 | -179.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 351 | T | 28.2 | Very low | 31.9 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | trans | -128 | 120.9 | 179.4 | -58.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 352 | L | 26.9 | Very low | 31.7 | Very low | 157 Ų | 157 | 141 Ų | 141 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | -78.8 | 142.4 | 173.3 | -77.8 | 166.1 | 0 | 0 | 0 | 111.4 | ||||
| 353 | P | 39.4 | Very low | 31.3 | Very low | 101 Ų | 101 | 143.8 Ų | 143.8 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | trans | -99.9 | 154.1 | -161.1 | 36.8 | -37.3 | 0 | 0 | 0 | 116 | ||||
| 354 | K | 29.7 | Very low | 31 | Very low | 186 Ų | 186 | 145.9 Ų | 145.9 | 81% | 0.809 | 78% | 0.778 | S | S | * | * | -177.2 | 124.6 | 119.4 | -96.9 | 152.6 | -169.8 | 171.4 | 0 | 116.8 | |||||
| 355 | N | 28.5 | Very low | 31 | Very low | 140 Ų | 140 | 145.7 Ų | 145.7 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | 70.3 | 94.4 | 133.3 | -62.3 | 9.1 | 0 | 0 | 0 | 123.7 | ||||
| 356 | V | 27 | Very low | 31.2 | Very low | 118 Ų | 118 | 145.9 Ų | 145.9 | 72% | 0.715 | 78% | 0.779 | S | S | * | * | 24 | 129.5 | 128.4 | -105.7 | 0 | 0 | 0 | 0 | 121.5 | L358 | V356-L358 HydrophobicContact CG1-CD1 3.98Š| |||
| 357 | N | 28 | Very low | 31.3 | Very low | 161 Ų | 161 | 146.2 Ų | 146.2 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | -159 | 169.8 | 98.1 | -125.9 | -19.3 | 0 | 0 | 0 | 114.3 | |||||
| 358 | L | 32.7 | Very low | 31.3 | Very low | 133 Ų | 133 | 147.4 Ų | 147.4 | 70% | 0.696 | 79% | 0.786 | S | S | * | * | trans | -105.9 | 143.8 | -162 | -80.2 | 61.3 | 0 | 0 | 0 | 116.6 | V356 | V356-L358 HydrophobicContact CG1-CD1 3.98Š| ||
| 359 | K | 31.4 | Very low | 31.5 | Very low | 197 Ų | 197 | 142.8 Ų | 142.8 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | 158.4 | 131.2 | 128.2 | -83.8 | 160.7 | -170.1 | -178.9 | 0 | 109.4 | |||||
| 360 | K | 32.5 | Very low | 31.5 | Very low | 177 Ų | 177 | 140.7 Ų | 140.7 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | cis | 75 | 124.4 | 44.1 | -171.7 | 178.9 | 177.9 | 178.5 | 0 | 112 | ||||
| 361 | D | 29.3 | Very low | 31.7 | Very low | 126 Ų | 126 | 142.8 Ų | 142.8 | 67% | 0.674 | 80% | 0.796 | S | S | * | * | cis | -115.8 | 168.6 | 0.6 | -75.6 | -63.7 | 0 | 0 | 0 | 110.3 | ||||
| 362 | S | 35.8 | Very low | 31.8 | Very low | 112 Ų | 112 | 145.4 Ų | 145.4 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | cis | 86.5 | 79.6 | 23.5 | -175.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 363 | E | 31.6 | Very low | 32.2 | Very low | 185 Ų | 185 | 142.4 Ų | 142.4 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -151.1 | 137.1 | 154.2 | -166 | 167.6 | -170.7 | 0 | 0 | 111.7 | ||||
| 364 | N | 31.5 | Very low | 31.8 | Very low | 164 Ų | 164 | 144.5 Ų | 144.5 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | trans | -160.9 | 95.3 | 179.8 | -141.9 | 17.7 | 0 | 0 | 0 | 113.3 | ||||
| 365 | T | 36.5 | Very low | 32.1 | Very low | 131 Ų | 131 | 141.8 Ų | 141.8 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -160 | 149.7 | 160.8 | 9.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 366 | P | 40.5 | Very low | 32.3 | Very low | 122 Ų | 122 | 141.1 Ų | 141.1 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | trans | -96.4 | 151.1 | -165.3 | 36.5 | -35 | 0 | 0 | 0 | 114.8 | ||||
| 367 | V | 31.5 | Very low | 32.6 | Very low | 152 Ų | 152 | 142 Ų | 142 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | trans | -118.3 | 153.3 | 172.5 | -177.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 368 | K | 30.5 | Very low | 32.8 | Very low | 200 Ų | 200 | 142.6 Ų | 142.6 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | trans | -123.7 | 107.3 | -154.3 | 174.2 | -174.1 | 174.2 | -177.8 | 0 | 112.6 | ||||
| 369 | G | 33 | Very low | 32.7 | Very low | 85 Ų | 85 | 144.6 Ų | 144.6 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | trans | 66.7 | 115.1 | 153.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 370 | G | 29.5 | Very low | 32.6 | Very low | 76 Ų | 76 | 142.3 Ų | 142.3 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | trans | -148.3 | 159.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 371 | I | 31.6 | Very low | 32.4 | Very low | 158 Ų | 158 | 140.4 Ų | 140.4 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -140.7 | 153.5 | -174.1 | -42.6 | 178 | 0 | 0 | 0 | 109.2 | ||||
| 372 | M | 30.3 | Very low | 32.4 | Very low | 172 Ų | 172 | 142.9 Ų | 142.9 | 85% | 0.847 | 80% | 0.8 | S | S | * | * | trans | 80.8 | 124.5 | 176.2 | -50.7 | -173.7 | -174.9 | 0 | 0 | 112.2 | ||||
| 373 | A | 34.3 | Very low | 32.4 | Very low | 94 Ų | 94 | 143.7 Ų | 143.7 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | 71.4 | 139.3 | 67.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 374 | D | 31.1 | Very low | 32.4 | Very low | 146 Ų | 146 | 138.5 Ų | 138.5 | 78% | 0.781 | 80% | 0.799 | S | S | * | * | cis | -162.4 | 179.2 | 13.8 | -158.5 | 0.2 | 0 | 0 | 0 | 110.8 | ||||
| 375 | L | 36.4 | Very low | 32.3 | Very low | 128 Ų | 128 | 142.6 Ų | 142.6 | 67% | 0.67 | 80% | 0.802 | S | S | * | * | trans | 78.8 | 119.9 | 159.3 | -52.4 | -178.8 | 0 | 0 | 0 | 123.3 | ||||
| 376 | D | 33 | Very low | 32.1 | Very low | 126 Ų | 126 | 144.3 Ų | 144.3 | 67% | 0.674 | 80% | 0.801 | S | S | * | * | 72.6 | 108.8 | 119.2 | -52.4 | -0.8 | 0 | 0 | 0 | 124.9 | |||||
| 377 | D | 34.2 | Very low | 31.8 | Very low | 137 Ų | 137 | 147.1 Ų | 147.1 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | 49.6 | 113.7 | 116.9 | -58.9 | -15.4 | 0 | 0 | 0 | 124.4 | |||||
| 378 | Q | 31.4 | Very low | 31.8 | Very low | 174 Ų | 174 | 147 Ų | 147 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | -170.9 | 129 | 121.2 | -100.7 | 141.8 | 96.2 | 0 | 0 | 107.7 | |||||
| 379 | E | 30 | Very low | 32 | Very low | 175 Ų | 175 | 146.2 Ų | 146.2 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | 60.9 | 131.2 | 73 | -67.1 | -176.2 | 173.9 | 0 | 0 | 113 | |||||
| 380 | D | 29.1 | Very low | 31.9 | Very low | 149 Ų | 149 | 145.8 Ų | 145.8 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | cis | -166.5 | 163.2 | -12.1 | -152.9 | -11.2 | 0 | 0 | 0 | 108.6 | ||||
| 381 | D | 29.6 | Very low | 31.8 | Very low | 136 Ų | 136 | 153.4 Ų | 153.4 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -173.8 | 125.8 | 149.6 | -123.9 | 13.9 | 0 | 0 | 0 | 116.9 | ||||
| 382 | F | 28.8 | Very low | 31.7 | Very low | 179 Ų | 179 | 150.9 Ų | 150.9 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | 36.6 | 109.8 | 158.9 | -68.3 | -69.5 | 0 | 0 | 0 | 124.3 | ||||
| 383 | P | 36.5 | Very low | 31.7 | Very low | 128 Ų | 128 | 151.7 Ų | 151.7 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | trans | -88.5 | 174.7 | 141.6 | 37.7 | -33.1 | 0 | 0 | 0 | 111.9 | ||||
| 384 | G | 30.1 | Very low | 32.1 | Very low | 76 Ų | 76 | 154.8 Ų | 154.8 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | trans | -157.2 | 110.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 385 | R | 30.6 | Very low | 32.4 | Very low | 250 Ų | 250 | 153.6 Ų | 153.6 | 94% | 0.943 | 80% | 0.798 | S | S | * | * | trans | -159.1 | 153.9 | 145.2 | -127.1 | 174.6 | 180 | 163.2 | 1.1 | 110.4 | ||||
| 386 | E | 32.9 | Very low | 32.7 | Very low | 168 Ų | 168 | 158.8 Ų | 158.8 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | -90.4 | 145.5 | -157.3 | -62.6 | 149.1 | 142 | 0 | 0 | 114.7 | ||||
| 387 | E | 34.2 | Very low | 32.5 | Very low | 181 Ų | 181 | 160.9 Ų | 160.9 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | trans | 55.1 | 140.5 | 138.7 | -62.9 | 174.3 | -177.4 | 0 | 0 | 120.1 | ||||
| 388 | D | 31.6 | Very low | 32.4 | Very low | 148 Ų | 148 | 159.2 Ų | 159.2 | 79% | 0.791 | 82% | 0.818 | S | S | * | * | cis | -152.1 | 179.7 | 11.3 | -161.6 | 13.1 | 0 | 0 | 0 | 113.4 | ||||
| 389 | E | 33.7 | Very low | 32.5 | Very low | 184 Ų | 184 | 160 Ų | 160 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | trans | -53.3 | 155.8 | -169.1 | -66 | -178.7 | 163.9 | 0 | 0 | 120 | ||||
| 390 | G | 30.2 | Very low | 32.7 | Very low | 76 Ų | 76 | 155.1 Ų | 155.1 | 78% | 0.784 | 82% | 0.818 | S | S | * | * | trans | -148.2 | -16.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 391 | R | 28.6 | Very low | 33.5 | Very low | 237 Ų | 237 | 157.4 Ų | 157.4 | 89% | 0.894 | 82% | 0.824 | S | S | * | * | trans | 71.1 | 130.3 | 161.8 | -177.2 | 177.6 | -177.3 | -172 | 6.3 | 122.8 | ||||
| 392 | S | 28.3 | Very low | 34.2 | Very low | 104 Ų | 104 | 157.4 Ų | 157.4 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | trans | 86.7 | 165.1 | 150 | -77.1 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 393 | E | 31.2 | Very low | 35.1 | Very low | 189 Ų | 189 | 156.8 Ų | 156.8 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | trans | -96.9 | 169 | -150.3 | -58.8 | 175.1 | 116.9 | 0 | 0 | 116.8 | ||||
| 394 | I | 42.6 | Very low | 36 | Very low | 159 Ų | 159 | 156.1 Ų | 156.1 | 82% | 0.815 | 82% | 0.823 | S | S | * | * | trans | -61.6 | 150.1 | -176.1 | -13 | 178.2 | 0 | 0 | 0 | 113.8 | ||||
| 395 | P | 37.5 | Very low | 37.3 | Very low | 122 Ų | 122 | 157 Ų | 157 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | -138.1 | 157.3 | 99 | 38.6 | -28.3 | 0 | 0 | 0 | 115.5 | |||||
| 396 | R | 42 | Very low | 38.9 | Very low | 236 Ų | 236 | 153.8 Ų | 153.8 | 89% | 0.891 | 81% | 0.808 | S | S | * | * | trans | -47.4 | 143.5 | 177.6 | -54 | 164.3 | 179 | 167.3 | -2.3 | 113.9 | ||||
| 397 | L | 29.4 | Very low | 40.8 | Very low | 170 Ų | 170 | 152.4 Ų | 152.4 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | -174.9 | 122.4 | 127.1 | -103.9 | 169.2 | 0 | 0 | 0 | 113.8 | |||||
| 398 | S | 31.9 | Very low | 42.9 | Very low | 103 Ų | 103 | 148.9 Ų | 148.9 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | 69.7 | 152.6 | 148.1 | -141.3 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 399 | E | 34.3 | Very low | 45.5 | Very low | 189 Ų | 189 | 145.3 Ų | 145.3 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | trans | 71.8 | 148.3 | 162.3 | -49.5 | -166.6 | 148 | 0 | 0 | 119.7 | ||||
| 400 | G | 33.7 | Very low | 48.1 | Very low | 73 Ų | 73 | 144.8 Ų | 144.8 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | trans | 108.5 | 81.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 401 | E | 45.7 | Very low | 51.1 | Low | 198 Ų | 198 | 143 Ų | 143 | 93% | 0.925 | 74% | 0.74 | S | S | * | * | trans | -84.6 | 101.2 | 154 | -71 | -178.2 | 122.8 | 0 | 0 | 108.5 | ||||
| 402 | D | 45.3 | Very low | 54.2 | Low | 136 Ų | 136 | 136.4 Ų | 136.4 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | trans | -146.7 | 54 | 177.3 | -104.1 | -39 | 0 | 0 | 0 | 112.7 | V404 | D402-V404 PolarHBondContact O-N 2.79Å; D402-V404 VanDerWaalsContact O-N 3.08Å; D402-V404 WeakPolarHBondContact OD1-CG2 3.27Å | ||
| 403 | N | 47.6 | Very low | 57.2 | Low | 166 Ų | 166 | 134.8 Ų | 134.8 | 89% | 0.888 | 70% | 0.704 | S | S | * | * | trans | -81.6 | 54.6 | 163.6 | -108.9 | -5.6 | 0 | 0 | 0 | 110.3 | T405 | N403-T405 PolarHBondContact O-N 2.98Š| ||
| 404 | V | 54.6 | Low | 60.3 | Low | 114 Ų | 114 | 126.1 Ų | 126.1 | 69% | 0.691 | 67% | 0.665 | S | S | * | * | trans | -75 | 94 | 171 | -179.3 | 0 | 0 | 0 | 0 | 107.5 | D402 E406 | D402-V404 PolarHBondContact O-N 2.79Å; D402-V404 VanDerWaalsContact O-N 3.08Å; D402-V404 WeakPolarHBondContact OD1-CG2 3.27Å; V404-E406 PolarHBondContact O-N 3.03Å | ||
| 405 | T | 57.9 | Low | 62.8 | Low | 94 Ų | 94 | 123.6 Ų | 123.6 | 58% | 0.577 | 66% | 0.661 | S | S | * | * | trans | -60.2 | 132.6 | 175.4 | 43.6 | 0 | 0 | 0 | 0 | 110.2 | N403 Q407 | N403-T405 PolarHBondContact O-N 2.98Å; T405-Q407 PolarHBondContact O-N 3.5Å; T405-Q407 VanDerWaalsContact O-N 3.15Å | ||
| 406 | E | 64.3 | Low | 65.5 | Low | 182 Ų | 182 | 123.7 Ų | 123.7 | 85% | 0.85 | 65% | 0.646 | S | S | * | * | trans | -60 | 121 | 179.2 | -68.4 | -166.1 | 145.9 | 0 | 0 | 110.1 | V404 T408 | V404-E406 PolarHBondContact O-N 3.03Å; E406-T408 PolarHBondContact O-N 2.81Å | ||
| 407 | Q | 71.4 | Confident | 68.1 | Low | 140 Ų | 140 | 112.5 Ų | 112.5 | 65% | 0.654 | 61% | 0.605 | S | S | * | * | trans | -77 | 89.3 | -173.5 | -171.1 | -172.9 | -34 | 0 | 0 | 110.7 | T405 H409 | T405-Q407 PolarHBondContact O-N 3.5Å; T405-Q407 VanDerWaalsContact O-N 3.15Å; Q407-H409 VanDerWaalsContact C-N 3.3Å; Q407-H409 VanDerWaalsContact CG-O 3.32Å; Q407-H409 WeakPolarHBondContact CG-O 3.34Å; Q407-H409 PolarHBondContact NE2-O 2.69Å; Q407-H409 PolarHBondContact O-N 3.44Å | ||
| 408 | T | 79.1 | Confident | 71.2 | Confident | 107 Ų | 107 | 109.4 Ų | 109.4 | 66% | 0.656 | 60% | 0.597 | S | S | * | * | trans | -67.8 | -23.1 | 179.9 | 50.4 | 0 | 0 | 0 | 0 | 114.5 | E406 | E406-T408 PolarHBondContact O-N 2.81Š| ||
| 409 | H | 85.2 | Confident | 74.2 | Confident | 73 Ų | 73 | 106.8 Ų | 106.8 | 34% | 0.338 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -122.8 | 142.5 | -174.8 | -63.9 | 107.2 | 0 | 0 | 0 | 113 | Q407 I411 L462 P464 | Q407-H409 VanDerWaalsContact C-N 3.3Å; Q407-H409 VanDerWaalsContact CG-O 3.32Å; Q407-H409 WeakPolarHBondContact CG-O 3.34Å; Q407-H409 PolarHBondContact NE2-O 2.69Å; Q407-H409 PolarHBondContact O-N 3.44Å; H409-I411 PolarHBondContact O-N 2.75Å; H409-L462 PolarHBondContact CE1-O 3.03Å; H409-L462 VanDerWaalsContact CE1-O 3.26Å; H409-L462 PolarHBondContact ND1-O 3.28Å; H409-P464 HydrophobicContact CB-CG 3.71Å |
| 410 | H | 88.9 | Confident | 77.2 | Confident | 173 Ų | 173 | 99.2 Ų | 99.2 | 80% | 0.801 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 116.3 | 170.9 | -68.8 | -61.4 | 0 | 0 | 0 | 110.7 | Q500 | H410-Q500 PolarHBondContact O-NE2 3.11Š|
| 411 | I | 92.5 | Very high | 80.1 | Confident | 37 Ų | 37 | 99.6 Ų | 99.6 | 19% | 0.19 | 52% | 0.52 | C | S | . | . | P | Polyproline II helix | trans | -92.5 | 122.5 | 178.6 | -53.8 | -58 | 0 | 0 | 0 | 109.9 | H409 I413 R461 P464 | H409-I411 PolarHBondContact O-N 2.75Å; I411-I413 HydrophobicContact CG2-CD1 4.43Å; I411-I413 HydrophobicContact CG2-CG1 4.1Å; I411-R461 HydrophobicContact CD1-CB 3.99Å; I411-R461 HydrophobicContact CD1-CG 3.82Å; I411-R461 HydrophobicContact CG1-CB 4.36Å; I411-R461 HydrophobicContact CG1-CG 3.92Å; I411-R461 HydrophobicContact CG2-CG 4.38Å; I411-P464 HydrophobicContact CD1-CB 3.87Å; I411-P464 HydrophobicContact CD1-CG 3.87Å |
| 412 | I | 93.7 | Very high | 82.4 | Confident | 100 Ų | 100 | 94.4 Ų | 94.4 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -102.6 | 131.1 | 177.3 | -55.7 | 174.1 | 0 | 0 | 0 | 108 | Y499 Q500 | I412-Y499 HydrophobicContact CG2-CD1 4.31Å; I412-Y499 HydrophobicContact CG2-CE1 3.96Å; I412-Y499 WeakPolarHBondContact O-CD1 3.16Å; I412-Q500 HydrophobicContact CB-CG 3.92Å; I412-Q500 HydrophobicContact CD1-CG 4.37Å; I412-Q500 HydrophobicContact CG1-CG 4.32Å |
| 413 | I | 93 | Very high | 84.7 | Confident | 69 Ų | 69 | 94.3 Ų | 94.3 | 35% | 0.354 | 49% | 0.492 | S | S | . | . | trans | -126.9 | 138.4 | -179.5 | -58.9 | 177.8 | 0 | 0 | 0 | 108.5 | I411 T417 L496 | I411-I413 HydrophobicContact CG2-CD1 4.43Å; I411-I413 HydrophobicContact CG2-CG1 4.1Å; I413-T417 HydrophobicContact CG2-CG2 4.49Å; I413-L496 HydrophobicContact CG2-CD2 4.38Å | ||
| 414 | P | 95.6 | Very high | 87 | Confident | 8 Ų | 8 | 89.1 Ų | 89.1 | 5% | 0.052 | 47% | 0.469 | C | S | . | . | trans | -63 | 146.8 | 177.8 | -16.9 | 27 | 0 | 0 | 0 | 113.3 | Y416 T417 G495 Y499 | P414-Y416 VanDerWaalsContact C-N 3.26Å; P414-Y416 HydrophobicContact CB-CD1 3.78Å; P414-Y416 HydrophobicContact CB-CD2 4.07Å; P414-Y416 HydrophobicContact CB-CE1 3.39Å; P414-Y416 HydrophobicContact CB-CE2 3.7Å; P414-Y416 HydrophobicContact CB-CG 4.1Å; P414-Y416 HydrophobicContact CG-CE1 4.15Å; P414-Y416 HydrophobicContact CG-CE2 3.98Å; P414-Y416 PolarHBondContact O-N 2.94Å; P414-T417 WeakPolarHBondContact O-CB 3.35Å; P414-T417 PolarHBondContact O-N 3.47Å; P414-T417 PolarHBondContact O-OG1 3.49Å; P414-G495 WeakPolarHBondContact CD-O 3.31Å; P414-Y499 HydrophobicContact CG-CD1 4.23Å; P414-Y499 HydrophobicContact CG-CD2 3.97Å; P414-Y499 HydrophobicContact CG-CE1 4.01Å; P414-Y499 HydrophobicContact CG-CE2 3.76Å; P414-Y499 HydrophobicContact CG-CG 4.22Å | ||
| 415 | S | 94.9 | Very high | 89 | Confident | 105 Ų | 105 | 85.4 Ų | 85.4 | 73% | 0.734 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -61.2 | -32.1 | 179.4 | 57.2 | 0 | 0 | 0 | 0 | 113.6 | T417 S418 | S415-T417 PolarHBondContact O-N 2.8Å; S415-S418 WeakPolarHBondContact O-CB 3.45Å; S415-S418 PolarHBondContact O-N 3.2Å; S415-S418 PolarHBondContact O-OG 3.28Å |
| 416 | Y | 95.1 | Very high | 90.8 | Very high | 124 Ų | 124 | 83.9 Ų | 83.9 | 49% | 0.486 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -70 | -11.8 | 175.3 | 58.6 | -106.6 | 0 | 0 | 0 | 113.7 | P414 W419 W494 | P414-Y416 VanDerWaalsContact C-N 3.26Å; P414-Y416 HydrophobicContact CB-CD1 3.78Å; P414-Y416 HydrophobicContact CB-CD2 4.07Å; P414-Y416 HydrophobicContact CB-CE1 3.39Å; P414-Y416 HydrophobicContact CB-CE2 3.7Å; P414-Y416 HydrophobicContact CB-CG 4.1Å; P414-Y416 HydrophobicContact CG-CE1 4.15Å; P414-Y416 HydrophobicContact CG-CE2 3.98Å; P414-Y416 PolarHBondContact O-N 2.94Å; Y416-W419 PolarHBondContact O-NE1 2.97Å; Y416-W494 AromaticContact CD2-CE3 3.77Å; Y416-W494 HydrophobicContact CD2-CE3 3.77Å; Y416-W494 AromaticContact CD2-CZ3 3.89Å; Y416-W494 HydrophobicContact CD2-CZ3 3.89Å; Y416-W494 HydrophobicContact CE2-CE3 4.12Å |
| 417 | T | 95.9 | Very high | 92.4 | Very high | 2 Ų | 2 | 78.3 Ų | 78.3 | 1% | 0.012 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -99.6 | 6 | 179.7 | -32.4 | 0 | 0 | 0 | 0 | 112.6 | I413 P414 S415 W419 F420 W494 L496 | I413-T417 HydrophobicContact CG2-CG2 4.49Å; P414-T417 WeakPolarHBondContact O-CB 3.35Å; P414-T417 PolarHBondContact O-N 3.47Å; P414-T417 PolarHBondContact O-OG1 3.49Å; S415-T417 PolarHBondContact O-N 2.8Å; T417-W419 HydrophobicContact CG2-CZ2 4.41Å; T417-W419 PolarHBondContact O-N 2.91Å; T417-F420 HydrophobicContact CG2-CB 4.23Å; T417-F420 VanDerWaalsContact O-CB 3.29Å; T417-F420 WeakPolarHBondContact O-CB 3.39Å; T417-F420 PolarHBondContact O-N 2.97Å; T417-W494 HydrophobicContact CG2-CB 4.03Å; T417-W494 HydrophobicContact CG2-CE3 4.28Å; T417-W494 VanDerWaalsContact CG2-O 3.24Å; T417-W494 WeakPolarHBondContact CG2-O 3.38Å; T417-W494 PolarHBondContact OG1-O 2.7Å; T417-L496 HydrophobicContact CG2-CD1 4.13Å; T417-L496 HydrophobicContact CG2-CD2 3.57Å; T417-L496 HydrophobicContact CG2-CG 3.7Å |
| 418 | S | 94.3 | Very high | 93.6 | Very high | 104 Ų | 104 | 73.4 Ų | 73.4 | 73% | 0.727 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -10.2 | 175.4 | 50.8 | 0 | 0 | 0 | 0 | 115.5 | S415 F420 | S415-S418 WeakPolarHBondContact O-CB 3.45Å; S415-S418 PolarHBondContact O-N 3.2Å; S415-S418 PolarHBondContact O-OG 3.28Å; S418-F420 VanDerWaalsContact C-N 3.31Å |
| 419 | W | 95.6 | Very high | 94.4 | Very high | 48 Ų | 48 | 68.3 Ų | 68.3 | 18% | 0.182 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -18 | 169.8 | 62.5 | -100.2 | 0 | 0 | 0 | 113.6 | Y416 T417 H426 I428 E429 F490 W494 | Y416-W419 PolarHBondContact O-NE1 2.97Å; T417-W419 HydrophobicContact CG2-CZ2 4.41Å; T417-W419 PolarHBondContact O-N 2.91Å; W419-H426 AromaticContact CD2-ND1 3.46Å; W419-H426 HydrophobicContact CE3-CB 3.53Å; W419-H426 AromaticContact CE3-CG 3.5Å; W419-H426 AromaticContact CE3-ND1 3.08Å; W419-H426 AromaticContact CG-ND1 3.82Å; W419-H426 HydrophobicContact CZ3-CB 3.71Å; W419-H426 AromaticContact CZ3-ND1 3.84Å; W419-I428 HydrophobicContact CD2-CD1 3.93Å; W419-I428 HydrophobicContact CG-CD1 3.93Å; W419-I428 HydrophobicContact CH2-CB 4.43Å; W419-I428 HydrophobicContact CH2-CG2 4.26Å; W419-I428 HydrophobicContact CZ2-CB 4.33Å; W419-I428 HydrophobicContact CZ2-CD1 4.42Å; W419-I428 HydrophobicContact CZ2-CG2 3.94Å; W419-E429 HydrophobicContact CH2-CG 3.75Å; W419-E429 HydrophobicContact CZ3-CG 3.65Å; W419-F490 HydrophobicContact CH2-CE1 4.35Å; W419-F490 AromaticContact CH2-CZ 3.94Å; W419-F490 HydrophobicContact CH2-CZ 3.94Å; W419-F490 HydrophobicContact CZ2-CZ 4.4Å; W419-W494 AromaticContact CE2-CE3 3.92Å; W419-W494 AromaticContact CZ2-CD2 3.66Å; W419-W494 HydrophobicContact CZ2-CD2 3.66Å; W419-W494 AromaticContact CZ2-CE2 3.99Å; W419-W494 AromaticContact CZ2-CE3 3.87Å; W419-W494 HydrophobicContact CZ2-CE3 3.87Å; W419-W494 AromaticContact CZ2-CG 3.96Å; W419-W494 HydrophobicContact CZ2-CG 3.96Å; W419-W494 HydrophobicContact CZ2-CZ2 4.48Å; W419-W494 HydrophobicContact CZ2-CZ3 4.37Å; W419-W494 AromaticContact NE1-CE3 3.34Å; W419-W494 VanDerWaalsContact NE1-CE3 3.34Å; W419-W494 AromaticContact NE1-CH2 3.71Å; W419-W494 AromaticContact NE1-CZ3 3.15Å |
| 420 | F | 96.7 | Very high | 95 | Very high | 31 Ų | 31 | 69.9 Ų | 69.9 | 14% | 0.136 | 37% | 0.365 | C | S | . | . | trans | -71.2 | 137.9 | -175.9 | 173.7 | -95.5 | 0 | 0 | 0 | 111.7 | T417 S418 I457 L496 | T417-F420 HydrophobicContact CG2-CB 4.23Å; T417-F420 VanDerWaalsContact O-CB 3.29Å; T417-F420 WeakPolarHBondContact O-CB 3.39Å; T417-F420 PolarHBondContact O-N 2.97Å; S418-F420 VanDerWaalsContact C-N 3.31Å; F420-I457 HydrophobicContact CE1-CD1 4.11Å; F420-I457 HydrophobicContact CE2-CD1 3.69Å; F420-I457 HydrophobicContact CZ-CD1 3.32Å; F420-L496 HydrophobicContact CB-CD1 4.33Å; F420-L496 HydrophobicContact CB-CD2 3.9Å; F420-L496 HydrophobicContact CD1-CD2 3.69Å; F420-L496 HydrophobicContact CD2-CD1 3.49Å; F420-L496 VanDerWaalsContact CD2-CD1 3.49Å; F420-L496 HydrophobicContact CD2-CD2 4.03Å; F420-L496 HydrophobicContact CD2-CG 4.43Å; F420-L496 HydrophobicContact CE1-CD2 4.27Å; F420-L496 HydrophobicContact CE2-CD1 3.94Å; F420-L496 HydrophobicContact CG-CD1 3.89Å; F420-L496 HydrophobicContact CG-CD2 3.57Å; F420-L496 HydrophobicContact CG-CG 4.41Å | ||
| 421 | N | 95.4 | Very high | 95.3 | Very high | 81 Ų | 81 | 71 Ų | 71 | 43% | 0.433 | 36% | 0.362 | S | S | . | . | trans | -140.1 | 123.9 | 175.4 | -176.8 | -33.4 | 0 | 0 | 0 | 109.2 | N423 S424 R453 | N421-N423 PolarHBondContact O-N 3.46Å; N421-N423 PolarHBondContact OD1-N 2.99Å; N421-S424 PolarHBondContact O-N 2.96Å; N421-R453 PolarHBondContact O-NH1 3.41Å; N421-R453 PolarHBondContact O-NH2 3.15Å | ||
| 422 | Y | 93.8 | Very high | 95.5 | Very high | 88 Ų | 88 | 71.7 Ų | 71.7 | 35% | 0.345 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -28.5 | -176.6 | -179.2 | -95.9 | 0 | 0 | 0 | 113.3 | R453 N454 D458 | Y422-R453 VanDerWaalsContact C-NH2 3.29Å; Y422-R453 PolarHBondContact O-NH2 2.77Å; Y422-N454 HydrophobicContact CD2-CB 4.26Å; Y422-N454 HydrophobicContact CE2-CB 3.46Å; Y422-N454 VanDerWaalsContact CE2-CB 3.46Å; Y422-N454 VanDerWaalsContact CE2-ND2 3.28Å; Y422-N454 WeakPolarHBondContact CE2-ND2 3.48Å; Y422-N454 PolarHBondContact O-ND2 2.77Å; Y422-D458 WeakPolarHBondContact CE2-OD1 3.32Å; Y422-D458 VanDerWaalsContact CE2-OD2 3.28Å; Y422-D458 WeakPolarHBondContact CE2-OD2 3.34Å; Y422-D458 PolarHBondContact OH-OD2 3.21Å |
| 423 | N | 93.6 | Very high | 95.6 | Very high | 134 Ų | 134 | 67.3 Ų | 67.3 | 72% | 0.717 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -1.2 | -177.8 | -67.1 | -6.5 | 0 | 0 | 0 | 114.1 | N421 | N421-N423 PolarHBondContact O-N 3.46Å; N421-N423 PolarHBondContact OD1-N 2.99Å |
| 424 | S | 95.1 | Very high | 95.7 | Very high | 57 Ų | 57 | 67.4 Ų | 67.4 | 40% | 0.399 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -146.5 | 160.9 | -177.9 | 72.4 | 0 | 0 | 0 | 0 | 114.5 | N421 R453 | N421-S424 PolarHBondContact O-N 2.96Å; S424-R453 PolarHBondContact O-NH1 3.41Å; S424-R453 PolarHBondContact O-NH2 3.07Å |
| 425 | I | 96.1 | Very high | 95.6 | Very high | 37 Ų | 37 | 68.7 Ų | 68.7 | 19% | 0.19 | 36% | 0.361 | C | S | . | . | trans | -106.9 | 113.3 | -176.4 | -55.1 | 174.6 | 0 | 0 | 0 | 110 | E429 K430 F437 P446 F449 L450 | I425-E429 VanDerWaalsContact CA-OE2 3.27Å; I425-E429 WeakPolarHBondContact CA-OE2 3.48Å; I425-E429 HydrophobicContact CG2-CB 4.3Å; I425-K430 HydrophobicContact CG2-CD 4.45Å; I425-K430 HydrophobicContact CG2-CG 3.98Å; I425-K430 WeakPolarHBondContact O-CE 3.27Å; I425-F437 HydrophobicContact CD1-CE1 4.09Å; I425-F437 HydrophobicContact CG2-CE1 3.72Å; I425-F437 HydrophobicContact CG2-CZ 3.63Å; I425-P446 HydrophobicContact CD1-CB 3.84Å; I425-P446 WeakPolarHBondContact CD1-O 3.46Å; I425-F449 HydrophobicContact CD1-CD1 4.17Å; I425-F449 HydrophobicContact CG1-CD1 4.39Å; I425-F449 HydrophobicContact CG2-CD1 4.29Å; I425-F449 HydrophobicContact CG2-CE1 4.07Å; I425-L450 HydrophobicContact CD1-CB 4.39Å; I425-L450 HydrophobicContact CG1-CD1 4.29Å | ||
| 426 | H | 97.1 | Very high | 95.7 | Very high | 61 Ų | 61 | 63.8 Ų | 63.8 | 28% | 0.282 | 33% | 0.327 | S | S | . | . | trans | -82.6 | 162.2 | -172.8 | -173.2 | -124.6 | 0 | 0 | 0 | 113.5 | W419 I428 E429 K430 | W419-H426 AromaticContact CD2-ND1 3.46Å; W419-H426 HydrophobicContact CE3-CB 3.53Å; W419-H426 AromaticContact CE3-CG 3.5Å; W419-H426 AromaticContact CE3-ND1 3.08Å; W419-H426 AromaticContact CG-ND1 3.82Å; W419-H426 HydrophobicContact CZ3-CB 3.71Å; W419-H426 AromaticContact CZ3-ND1 3.84Å; H426-I428 VanDerWaalsContact C-N 3.26Å; H426-I428 PolarHBondContact O-N 2.99Å; H426-E429 HydrophobicContact CB-CG 4.45Å; H426-E429 PolarHBondContact N-OE2 3.43Å; H426-E429 PolarHBondContact O-N 3.42Å; H426-K430 PolarHBondContact O-N 2.91Å | ||
| 427 | S | 96.7 | Very high | 95.7 | Very high | 66 Ų | 66 | 60.3 Ų | 60.3 | 46% | 0.462 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.4 | -30.5 | 179.9 | 67.9 | 0 | 0 | 0 | 0 | 113.9 | R431 | S427-R431 PolarHBondContact O-N 3.36Å |
| 428 | I | 96.8 | Very high | 95.5 | Very high | 37 Ų | 37 | 63.9 Ų | 63.9 | 19% | 0.19 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68 | -45.7 | 177.2 | -69.6 | 171.2 | 0 | 0 | 0 | 110.6 | W419 H426 K430 R431 A432 F490 W494 | W419-I428 HydrophobicContact CD2-CD1 3.93Å; W419-I428 HydrophobicContact CG-CD1 3.93Å; W419-I428 HydrophobicContact CH2-CB 4.43Å; W419-I428 HydrophobicContact CH2-CG2 4.26Å; W419-I428 HydrophobicContact CZ2-CB 4.33Å; W419-I428 HydrophobicContact CZ2-CD1 4.42Å; W419-I428 HydrophobicContact CZ2-CG2 3.94Å; H426-I428 VanDerWaalsContact C-N 3.26Å; H426-I428 PolarHBondContact O-N 2.99Å; I428-K430 PolarHBondContact O-N 3.49Å; I428-R431 WeakPolarHBondContact O-CB 3.48Å; I428-R431 PolarHBondContact O-N 3.43Å; I428-R431 VanDerWaalsContact O-N 3.13Å; I428-A432 WeakPolarHBondContact O-CB 3.46Å; I428-A432 PolarHBondContact O-N 2.89Å; I428-F490 HydrophobicContact CG2-CE2 4.29Å; I428-F490 HydrophobicContact CG2-CZ 4.29Å; I428-W494 HydrophobicContact CD1-CH2 4.15Å; I428-W494 HydrophobicContact CD1-CZ2 4.38Å; I428-W494 HydrophobicContact CG2-CH2 4.43Å; I428-W494 HydrophobicContact CG2-CZ2 3.65Å |
| 429 | E | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 179.2 | -55 | 177.9 | 121 | 0 | 0 | 110.9 | W419 I425 H426 R431 A432 L433 F449 R453 F490 | W419-E429 HydrophobicContact CH2-CG 3.75Å; W419-E429 HydrophobicContact CZ3-CG 3.65Å; I425-E429 VanDerWaalsContact CA-OE2 3.27Å; I425-E429 WeakPolarHBondContact CA-OE2 3.48Å; I425-E429 HydrophobicContact CG2-CB 4.3Å; H426-E429 HydrophobicContact CB-CG 4.45Å; H426-E429 PolarHBondContact N-OE2 3.43Å; H426-E429 PolarHBondContact O-N 3.42Å; E429-R431 PolarHBondContact O-N 3.01Å; E429-A432 PolarHBondContact O-N 2.84Å; E429-L433 PolarHBondContact O-N 2.95Å; E429-F449 HydrophobicContact CB-CE1 4.14Å; E429-F449 HydrophobicContact CB-CZ 4Å; E429-F449 HydrophobicContact CG-CZ 4.29Å; E429-R453 VanDerWaalsContact CD-NH1 3.3Å; E429-R453 WeakPolarHBondContact OE1-CD 3.39Å; E429-R453 IonicContact OE1-CZ 3.96Å; E429-R453 IonicContact OE1-NE 2.75Å; E429-R453 IonicContact OE1-NH1 2.81Å; E429-R453 PolarHBondContact OE1-NH1 3.06Å; E429-R453 IonicContact OE2-NH1 3.17Å; E429-R453 PolarHBondContact OE2-NH1 3.44Å; E429-R453 VanDerWaalsContact OE2-NH1 3.07Å; E429-F490 HydrophobicContact CB-CE1 4.46Å; E429-F490 HydrophobicContact CB-CZ 4.28Å; E429-F490 HydrophobicContact CG-CE1 3.86Å; E429-F490 HydrophobicContact CG-CZ 3.77Å |
| 430 | K | 96.1 | Very high | 95 | Very high | 106 Ų | 106 | 69.2 Ų | 69.2 | 46% | 0.461 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.3 | -28 | 176.6 | -64.7 | 179.5 | -175.2 | 178.6 | 0 | 113.4 | I425 H426 I428 F437 | I425-K430 HydrophobicContact CG2-CD 4.45Å; I425-K430 HydrophobicContact CG2-CG 3.98Å; I425-K430 WeakPolarHBondContact O-CE 3.27Å; H426-K430 PolarHBondContact O-N 2.91Å; I428-K430 PolarHBondContact O-N 3.49Å; K430-F437 HydrophobicContact CB-CD2 4.12Å; K430-F437 HydrophobicContact CB-CE2 4.39Å; K430-F437 HydrophobicContact CB-CG 4.32Å; K430-F437 HydrophobicContact CD-CD1 4.46Å; K430-F437 HydrophobicContact CG-CD1 3.93Å; K430-F437 HydrophobicContact CG-CD2 4Å; K430-F437 HydrophobicContact CG-CE1 3.99Å; K430-F437 HydrophobicContact CG-CE2 4.04Å; K430-F437 HydrophobicContact CG-CG 3.94Å; K430-F437 HydrophobicContact CG-CZ 4.04Å |
| 431 | R | 96.6 | Very high | 94.7 | Very high | 196 Ų | 196 | 70.8 Ų | 70.8 | 74% | 0.74 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -83.1 | -38.5 | 176.5 | -169.7 | -174.2 | -59.8 | 160 | 3.4 | 112.4 | S427 I428 E429 | S427-R431 PolarHBondContact O-N 3.36Å; I428-R431 WeakPolarHBondContact O-CB 3.48Å; I428-R431 PolarHBondContact O-N 3.43Å; I428-R431 VanDerWaalsContact O-N 3.13Å; E429-R431 PolarHBondContact O-N 3.01Å |
| 432 | A | 95.4 | Very high | 94.5 | Very high | 52 Ų | 52 | 76.6 Ų | 76.6 | 43% | 0.43 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -78.2 | -36.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | I428 E429 P434 F490 | I428-A432 WeakPolarHBondContact O-CB 3.46Å; I428-A432 PolarHBondContact O-N 2.89Å; E429-A432 PolarHBondContact O-N 2.84Å; A432-P434 VanDerWaalsContact O-CD 3.31Å; A432-P434 WeakPolarHBondContact O-CD 3.32Å; A432-F490 HydrophobicContact CB-CD2 3.56Å; A432-F490 HydrophobicContact CB-CE2 3.37Å; A432-F490 HydrophobicContact CB-CZ 4.38Å |
| 433 | L | 96 | Very high | 94.2 | Very high | 7 Ų | 7 | 75.9 Ų | 75.9 | 4% | 0.037 | 41% | 0.405 | C | S | . | . | trans | -123 | 55.2 | -175 | -61.6 | 171.4 | 0 | 0 | 0 | 111.9 | E429 E435 F436 F437 F449 R486 V487 F490 | E429-L433 PolarHBondContact O-N 2.95Å; L433-E435 PolarHBondContact O-N 3.34Å; L433-F436 HydrophobicContact CB-CD2 4.31Å; L433-F436 PolarHBondContact O-N 2.83Å; L433-F437 VanDerWaalsContact O-CD2 3.24Å; L433-F437 WeakPolarHBondContact O-CD2 3.49Å; L433-F437 WeakPolarHBondContact O-CE2 3.17Å; L433-F449 HydrophobicContact CD1-CD2 4.21Å; L433-F449 HydrophobicContact CD1-CE2 3.51Å; L433-F449 HydrophobicContact CD1-CZ 4.34Å; L433-R486 HydrophobicContact CD2-CB 3.84Å; L433-V487 HydrophobicContact CD1-CG2 4.09Å; L433-F490 HydrophobicContact CD1-CB 3.98Å; L433-F490 HydrophobicContact CD1-CD1 3.93Å; L433-F490 HydrophobicContact CD1-CG 3.88Å; L433-F490 HydrophobicContact CG-CB 4.48Å; L433-F490 HydrophobicContact CG-CG 4.4Å | ||
| 434 | P | 95.8 | Very high | 94.2 | Very high | 71 Ų | 71 | 70.8 Ų | 70.8 | 46% | 0.461 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -64.8 | -9.3 | -171.5 | 29.4 | -37.7 | 0 | 0 | 0 | 114.4 | A432 F436 F437 N438 | A432-P434 VanDerWaalsContact O-CD 3.31Å; A432-P434 WeakPolarHBondContact O-CD 3.32Å; P434-F436 VanDerWaalsContact C-N 3.25Å; P434-F436 PolarHBondContact O-N 2.84Å; P434-F437 PolarHBondContact O-N 2.75Å; P434-N438 WeakPolarHBondContact O-CB 3.24Å; P434-N438 PolarHBondContact O-N 2.78Å; P434-N438 PolarHBondContact O-ND2 2.85Å |
| 435 | E | 93.9 | Very high | 94.2 | Very high | 35 Ų | 35 | 69.8 Ų | 69.8 | 16% | 0.164 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -66.5 | -22.4 | 178.1 | 67.8 | -178 | 133.3 | 0 | 0 | 114.3 | L433 K444 R486 | L433-E435 PolarHBondContact O-N 3.34Å; E435-K444 HydrophobicContact CB-CD 4.32Å; E435-K444 HydrophobicContact CG-CD 4.17Å; E435-K444 WeakPolarHBondContact O-CB 3.32Å; E435-K444 WeakPolarHBondContact OE2-CE 3.4Å; E435-K444 IonicContact OE2-NZ 3.88Å; E435-K444 PolarHBondContact OE2-NZ 3.42Å; E435-R486 IonicContact OE1-CZ 3.45Å; E435-R486 IonicContact OE1-NE 2.77Å; E435-R486 PolarHBondContact OE1-NE 3.37Å; E435-R486 IonicContact OE1-NH2 2.81Å; E435-R486 PolarHBondContact OE1-NH2 3.39Å; E435-R486 IonicContact OE2-CZ 3.4Å; E435-R486 IonicContact OE2-NH2 3.39Å; E435-R486 PolarHBondContact OE2-NH2 3.38Å |
| 436 | F | 95.6 | Very high | 94.2 | Very high | 2 Ų | 2 | 70.2 Ų | 70.2 | 1% | 0.009 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -91.1 | -7.7 | 176.1 | -64.8 | -88.4 | 0 | 0 | 0 | 113.8 | L433 P434 K444 T445 P446 I448 F449 Y452 A483 V487 | L433-F436 HydrophobicContact CB-CD2 4.31Å; L433-F436 PolarHBondContact O-N 2.83Å; P434-F436 VanDerWaalsContact C-N 3.25Å; P434-F436 PolarHBondContact O-N 2.84Å; F436-K444 CarbonylContact C-O 3.51Å; F436-K444 WeakPolarHBondContact CA-O 3.35Å; F436-K444 HydrophobicContact CD1-CB 3.81Å; F436-K444 HydrophobicContact CD1-CG 4.26Å; F436-K444 HydrophobicContact CE1-CB 4.2Å; F436-K444 HydrophobicContact CE1-CG 4.14Å; F436-K444 HydrophobicContact CG-CB 4.34Å; F436-T445 CarbonylContact O-C 3.39Å; F436-P446 WeakPolarHBondContact O-CD 3.5Å; F436-I448 HydrophobicContact CE1-CG2 4.28Å; F436-F449 HydrophobicContact CB-CB 3.87Å; F436-F449 HydrophobicContact CD1-CB 3.75Å; F436-F449 HydrophobicContact CD2-CB 4.27Å; F436-F449 HydrophobicContact CD2-CD2 4.17Å; F436-F449 HydrophobicContact CE1-CB 4.31Å; F436-F449 HydrophobicContact CE2-CD2 4.37Å; F436-F449 HydrophobicContact CG-CB 3.72Å; F436-F449 HydrophobicContact CG-CD2 4.46Å; F436-F449 HydrophobicContact CG-CG 4.44Å; F436-Y452 HydrophobicContact CE1-CD2 4.07Å; F436-Y452 AromaticContact CE1-CE2 3.95Å; F436-Y452 HydrophobicContact CE1-CE2 3.95Å; F436-Y452 HydrophobicContact CZ-CD2 4.05Å; F436-Y452 HydrophobicContact CZ-CE2 4.11Å; F436-A483 HydrophobicContact CE2-CB 4.34Å; F436-A483 HydrophobicContact CZ-CB 3.93Å; F436-V487 HydrophobicContact CE2-CG2 3.82Å; F436-V487 HydrophobicContact CZ-CG2 3.96Å |
| 437 | F | 95.4 | Very high | 94.1 | Very high | 52 Ų | 52 | 73.2 Ų | 73.2 | 23% | 0.228 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.3 | -7.9 | -169.3 | -54.6 | -69.4 | 0 | 0 | 0 | 114.1 | I425 K430 L433 P434 P446 F449 | I425-F437 HydrophobicContact CD1-CE1 4.09Å; I425-F437 HydrophobicContact CG2-CE1 3.72Å; I425-F437 HydrophobicContact CG2-CZ 3.63Å; K430-F437 HydrophobicContact CB-CD2 4.12Å; K430-F437 HydrophobicContact CB-CE2 4.39Å; K430-F437 HydrophobicContact CB-CG 4.32Å; K430-F437 HydrophobicContact CD-CD1 4.46Å; K430-F437 HydrophobicContact CG-CD1 3.93Å; K430-F437 HydrophobicContact CG-CD2 4Å; K430-F437 HydrophobicContact CG-CE1 3.99Å; K430-F437 HydrophobicContact CG-CE2 4.04Å; K430-F437 HydrophobicContact CG-CG 3.94Å; K430-F437 HydrophobicContact CG-CZ 4.04Å; L433-F437 VanDerWaalsContact O-CD2 3.24Å; L433-F437 WeakPolarHBondContact O-CD2 3.49Å; L433-F437 WeakPolarHBondContact O-CE2 3.17Å; P434-F437 PolarHBondContact O-N 2.75Å; F437-P446 HydrophobicContact CD1-CB 4.17Å; F437-P446 HydrophobicContact CD1-CG 3.96Å; F437-P446 HydrophobicContact CE1-CB 3.89Å; F437-P446 HydrophobicContact CE1-CG 4.2Å; F437-F449 HydrophobicContact CE1-CD1 4.44Å; F437-F449 HydrophobicContact CZ-CB 4.36Å; F437-F449 AromaticContact CZ-CD1 3.66Å; F437-F449 HydrophobicContact CZ-CD1 3.66Å; F437-F449 HydrophobicContact CZ-CE1 4.13Å; F437-F449 AromaticContact CZ-CG 3.97Å; F437-F449 HydrophobicContact CZ-CG 3.97Å |
| 438 | N | 91.6 | Very high | 94 | Very high | 77 Ų | 77 | 72.4 Ų | 72.4 | 41% | 0.412 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -85.9 | -3.8 | -175.7 | 68.3 | 36 | 0 | 0 | 0 | 114.8 | P434 K440 | P434-N438 WeakPolarHBondContact O-CB 3.24Å; P434-N438 PolarHBondContact O-N 2.78Å; P434-N438 PolarHBondContact O-ND2 2.85Å; N438-K440 HydrophobicContact CB-CG 4.47Å; N438-K440 PolarHBondContact O-N 2.92Å; N438-K440 VanDerWaalsContact O-N 3.08Å; N438-K440 VanDerWaalsContact OD1-CB 3.24Å; N438-K440 WeakPolarHBondContact OD1-CB 3.35Å; N438-K440 WeakPolarHBondContact OD1-CG 3.44Å; N438-K440 PolarHBondContact OD1-N 2.94Å |
| 439 | G | 90.2 | Very high | 93.9 | Very high | 76 Ų | 76 | 70.7 Ų | 70.7 | 78% | 0.784 | 37% | 0.369 | S | S | * | . | S | Bend | trans | 67.2 | 1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 440 | K | 90.6 | Very high | 93.9 | Very high | 188 Ų | 188 | 73 Ų | 73 | 82% | 0.817 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -78.1 | -28.7 | -175.5 | -61.4 | -178.1 | 177.6 | -178 | 0 | 113.4 | N438 | N438-K440 HydrophobicContact CB-CG 4.47Å; N438-K440 PolarHBondContact O-N 2.92Å; N438-K440 VanDerWaalsContact O-N 3.08Å; N438-K440 VanDerWaalsContact OD1-CB 3.24Å; N438-K440 WeakPolarHBondContact OD1-CB 3.35Å; N438-K440 WeakPolarHBondContact OD1-CG 3.44Å; N438-K440 PolarHBondContact OD1-N 2.94Å |
| 441 | N | 89.3 | Confident | 93.8 | Very high | 64 Ų | 64 | 70.8 Ų | 70.8 | 34% | 0.342 | 38% | 0.382 | S | S | . | . | trans | -117.3 | 122.2 | -178.8 | -176.3 | 10.1 | 0 | 0 | 0 | 111.5 | S443 K444 | N441-S443 PolarHBondContact ND2-OG 3.31Å; N441-S443 VanDerWaalsContact ND2-OG 3.16Å; N441-S443 PolarHBondContact O-N 2.83Å; N441-S443 PolarHBondContact OD1-N 2.97Å; N441-S443 VanDerWaalsContact OD1-N 3.11Å; N441-S443 PolarHBondContact OD1-OG 3.06Å; N441-S443 VanDerWaalsContact OD1-OG 3.13Å; N441-K444 HydrophobicContact CB-CB 4.31Å; N441-K444 PolarHBondContact O-N 2.9Å | ||
| 442 | K | 90.7 | Very high | 93.8 | Very high | 203 Ų | 203 | 62.5 Ų | 62.5 | 88% | 0.883 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -20.5 | 179.7 | -62.2 | -177.7 | 178.8 | -177.9 | 0 | 114 | ||
| 443 | S | 88.3 | Confident | 93.9 | Very high | 72 Ų | 72 | 60 Ų | 60 | 50% | 0.503 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 8.5 | 176.6 | 62.5 | 0 | 0 | 0 | 0 | 114.4 | N441 I448 | N441-S443 PolarHBondContact ND2-OG 3.31Å; N441-S443 VanDerWaalsContact ND2-OG 3.16Å; N441-S443 PolarHBondContact O-N 2.83Å; N441-S443 PolarHBondContact OD1-N 2.97Å; N441-S443 VanDerWaalsContact OD1-N 3.11Å; N441-S443 PolarHBondContact OD1-OG 3.06Å; N441-S443 VanDerWaalsContact OD1-OG 3.13Å; S443-I448 WeakPolarHBondContact O-CD1 3.48Å |
| 444 | K | 93.6 | Very high | 93.9 | Very high | 27 Ų | 27 | 60.5 Ų | 60.5 | 12% | 0.117 | 33% | 0.333 | C | S | . | . | trans | -132.2 | 83.6 | 174.2 | -67 | -178.4 | -178.1 | 177.4 | 0 | 108.9 | E435 F436 N441 D480 | E435-K444 HydrophobicContact CB-CD 4.32Å; E435-K444 HydrophobicContact CG-CD 4.17Å; E435-K444 WeakPolarHBondContact O-CB 3.32Å; E435-K444 WeakPolarHBondContact OE2-CE 3.4Å; E435-K444 IonicContact OE2-NZ 3.88Å; E435-K444 PolarHBondContact OE2-NZ 3.42Å; F436-K444 CarbonylContact C-O 3.51Å; F436-K444 WeakPolarHBondContact CA-O 3.35Å; F436-K444 HydrophobicContact CD1-CB 3.81Å; F436-K444 HydrophobicContact CD1-CG 4.26Å; F436-K444 HydrophobicContact CE1-CB 4.2Å; F436-K444 HydrophobicContact CE1-CG 4.14Å; F436-K444 HydrophobicContact CG-CB 4.34Å; N441-K444 HydrophobicContact CB-CB 4.31Å; N441-K444 PolarHBondContact O-N 2.9Å; K444-D480 WeakPolarHBondContact CE-OD2 3.23Å; K444-D480 IonicContact NZ-OD2 3.16Å; K444-D480 PolarHBondContact NZ-OD2 2.84Å | ||
| 445 | T | 95.4 | Very high | 93.9 | Very high | 37 Ų | 37 | 60.3 Ų | 60.3 | 23% | 0.227 | 33% | 0.325 | C | S | . | . | trans | -110.1 | 165.3 | -179.9 | 75.7 | 0 | 0 | 0 | 0 | 110.7 | F436 E447 I448 F449 | F436-T445 CarbonylContact O-C 3.39Å; T445-E447 WeakPolarHBondContact CB-OE2 3.28Å; T445-E447 PolarHBondContact O-N 3.49Å; T445-E447 PolarHBondContact OG1-OE2 3.47Å; T445-I448 HydrophobicContact CG2-CD1 4.31Å; T445-I448 PolarHBondContact O-N 3.45Å; T445-F449 PolarHBondContact O-N 2.84Å; T445-F449 VanDerWaalsContact O-N 3.08Å | ||
| 446 | P | 96.1 | Very high | 94.1 | Very high | 45 Ų | 45 | 58.7 Ų | 58.7 | 29% | 0.292 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58 | -32.9 | 178.6 | -25.3 | 35.8 | 0 | 0 | 0 | 113.5 | I425 F436 F437 F449 L450 | I425-P446 HydrophobicContact CD1-CB 3.84Å; I425-P446 WeakPolarHBondContact CD1-O 3.46Å; F436-P446 WeakPolarHBondContact O-CD 3.5Å; F437-P446 HydrophobicContact CD1-CB 4.17Å; F437-P446 HydrophobicContact CD1-CG 3.96Å; F437-P446 HydrophobicContact CE1-CB 3.89Å; F437-P446 HydrophobicContact CE1-CG 4.2Å; P446-F449 PolarHBondContact O-N 2.84Å; P446-L450 WeakPolarHBondContact O-CB 3.28Å; P446-L450 PolarHBondContact O-N 2.91Å |
| 447 | E | 94.1 | Very high | 94.1 | Very high | 124 Ų | 124 | 58.6 Ų | 58.6 | 58% | 0.579 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -73.5 | -39.4 | -177.9 | -50.4 | 69.9 | -143.1 | 0 | 0 | 110.7 | T445 L450 A451 | T445-E447 WeakPolarHBondContact CB-OE2 3.28Å; T445-E447 PolarHBondContact O-N 3.49Å; T445-E447 PolarHBondContact OG1-OE2 3.47Å; E447-L450 PolarHBondContact O-N 3.43Å; E447-A451 WeakPolarHBondContact O-CB 3.33Å; E447-A451 PolarHBondContact O-N 2.77Å |
| 448 | I | 94.7 | Very high | 94 | Very high | 50 Ų | 50 | 58.3 Ų | 58.3 | 26% | 0.256 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 173.6 | -64.5 | 171.9 | 0 | 0 | 0 | 110.4 | F436 S443 T445 A451 Y452 | F436-I448 HydrophobicContact CE1-CG2 4.28Å; S443-I448 WeakPolarHBondContact O-CD1 3.48Å; T445-I448 HydrophobicContact CG2-CD1 4.31Å; T445-I448 PolarHBondContact O-N 3.45Å; I448-A451 PolarHBondContact O-N 3.13Å; I448-Y452 HydrophobicContact CG2-CD1 4.41Å; I448-Y452 HydrophobicContact CG2-CD2 4.17Å; I448-Y452 HydrophobicContact CG2-CE1 3.87Å; I448-Y452 HydrophobicContact CG2-CE2 3.59Å; I448-Y452 VanDerWaalsContact CG2-CZ 3.41Å; I448-Y452 VanDerWaalsContact O-CG 3.27Å; I448-Y452 PolarHBondContact O-N 3.26Å |
| 449 | F | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.8 | -48.1 | 171.7 | 168.8 | -102.6 | 0 | 0 | 0 | 111.8 | I425 E429 L433 F436 F437 T445 P446 A451 Y452 R453 V487 | I425-F449 HydrophobicContact CD1-CD1 4.17Å; I425-F449 HydrophobicContact CG1-CD1 4.39Å; I425-F449 HydrophobicContact CG2-CD1 4.29Å; I425-F449 HydrophobicContact CG2-CE1 4.07Å; E429-F449 HydrophobicContact CB-CE1 4.14Å; E429-F449 HydrophobicContact CB-CZ 4Å; E429-F449 HydrophobicContact CG-CZ 4.29Å; L433-F449 HydrophobicContact CD1-CD2 4.21Å; L433-F449 HydrophobicContact CD1-CE2 3.51Å; L433-F449 HydrophobicContact CD1-CZ 4.34Å; F436-F449 HydrophobicContact CB-CB 3.87Å; F436-F449 HydrophobicContact CD1-CB 3.75Å; F436-F449 HydrophobicContact CD2-CB 4.27Å; F436-F449 HydrophobicContact CD2-CD2 4.17Å; F436-F449 HydrophobicContact CE1-CB 4.31Å; F436-F449 HydrophobicContact CE2-CD2 4.37Å; F436-F449 HydrophobicContact CG-CB 3.72Å; F436-F449 HydrophobicContact CG-CD2 4.46Å; F436-F449 HydrophobicContact CG-CG 4.44Å; F437-F449 HydrophobicContact CE1-CD1 4.44Å; F437-F449 HydrophobicContact CZ-CB 4.36Å; F437-F449 AromaticContact CZ-CD1 3.66Å; F437-F449 HydrophobicContact CZ-CD1 3.66Å; F437-F449 HydrophobicContact CZ-CE1 4.13Å; F437-F449 AromaticContact CZ-CG 3.97Å; F437-F449 HydrophobicContact CZ-CG 3.97Å; T445-F449 PolarHBondContact O-N 2.84Å; T445-F449 VanDerWaalsContact O-N 3.08Å; P446-F449 PolarHBondContact O-N 2.84Å; F449-A451 VanDerWaalsContact C-N 3.34Å; F449-A451 PolarHBondContact O-N 2.82Å; F449-Y452 PolarHBondContact O-N 3.43Å; F449-R453 HydrophobicContact CE2-CB 4.43Å; F449-R453 HydrophobicContact CZ-CB 4.28Å; F449-R453 HydrophobicContact CZ-CG 4.31Å; F449-R453 WeakPolarHBondContact O-CB 3.43Å; F449-R453 PolarHBondContact O-N 3.12Å; F449-V487 HydrophobicContact CD2-CG2 4.08Å; F449-V487 HydrophobicContact CE2-CG1 4.34Å; F449-V487 HydrophobicContact CE2-CG2 4.26Å |
| 450 | L | 95.7 | Very high | 94.4 | Very high | 50 Ų | 50 | 53.5 Ų | 53.5 | 26% | 0.262 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 180 | -173.7 | 66.4 | 0 | 0 | 0 | 111.5 | I425 P446 E447 R453 N454 | I425-L450 HydrophobicContact CD1-CB 4.39Å; I425-L450 HydrophobicContact CG1-CD1 4.29Å; P446-L450 WeakPolarHBondContact O-CB 3.28Å; P446-L450 PolarHBondContact O-N 2.91Å; E447-L450 PolarHBondContact O-N 3.43Å; L450-R453 PolarHBondContact O-N 3.08Å; L450-N454 VanDerWaalsContact O-CB 3.3Å; L450-N454 WeakPolarHBondContact O-CB 3.26Å; L450-N454 VanDerWaalsContact O-CG 3.32Å; L450-N454 PolarHBondContact O-N 2.93Å; L450-N454 PolarHBondContact O-OD1 3.26Å |
| 451 | A | 94.5 | Very high | 94.6 | Very high | 58 Ų | 58 | 47.9 Ų | 47.9 | 48% | 0.479 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.5 | -47.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E447 I448 F449 R453 F455 | E447-A451 WeakPolarHBondContact O-CB 3.33Å; E447-A451 PolarHBondContact O-N 2.77Å; I448-A451 PolarHBondContact O-N 3.13Å; F449-A451 VanDerWaalsContact C-N 3.34Å; F449-A451 PolarHBondContact O-N 2.82Å; A451-R453 PolarHBondContact O-N 3.4Å; A451-F455 VanDerWaalsContact O-CB 3.24Å; A451-F455 WeakPolarHBondContact O-CB 3.3Å; A451-F455 PolarHBondContact O-N 2.96Å; A451-F455 VanDerWaalsContact O-N 3.08Å |
| 452 | Y | 96.9 | Very high | 94.7 | Very high | 22 Ų | 22 | 49.8 Ų | 49.8 | 9% | 0.086 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.9 | -45 | 175.2 | -66.7 | -12.9 | 0 | 0 | 0 | 111.8 | F436 I448 F449 M456 L477 T478 G479 L484 | F436-Y452 HydrophobicContact CE1-CD2 4.07Å; F436-Y452 AromaticContact CE1-CE2 3.95Å; F436-Y452 HydrophobicContact CE1-CE2 3.95Å; F436-Y452 HydrophobicContact CZ-CD2 4.05Å; F436-Y452 HydrophobicContact CZ-CE2 4.11Å; I448-Y452 HydrophobicContact CG2-CD1 4.41Å; I448-Y452 HydrophobicContact CG2-CD2 4.17Å; I448-Y452 HydrophobicContact CG2-CE1 3.87Å; I448-Y452 HydrophobicContact CG2-CE2 3.59Å; I448-Y452 VanDerWaalsContact CG2-CZ 3.41Å; I448-Y452 VanDerWaalsContact O-CG 3.27Å; I448-Y452 PolarHBondContact O-N 3.26Å; F449-Y452 PolarHBondContact O-N 3.43Å; Y452-M456 VanDerWaalsContact O-CG 3.27Å; Y452-M456 WeakPolarHBondContact O-CG 3.3Å; Y452-M456 PolarHBondContact O-N 3.08Å; Y452-M456 VanDerWaalsContact O-N 3.14Å; Y452-L477 HydrophobicContact CD1-CB 4.26Å; Y452-L477 HydrophobicContact CD1-CD1 3.95Å; Y452-L477 HydrophobicContact CD1-CD2 4.02Å; Y452-L477 HydrophobicContact CD1-CG 4.31Å; Y452-L477 HydrophobicContact CE1-CB 4.32Å; Y452-L477 HydrophobicContact CG-CD1 4.24Å; Y452-T478 PolarHBondContact OH-O 3.03Å; Y452-G479 VanDerWaalsContact OH-CA 3.24Å; Y452-G479 WeakPolarHBondContact OH-CA 3.38Å; Y452-L484 HydrophobicContact CD1-CD2 3.93Å; Y452-L484 HydrophobicContact CD2-CD2 3.59Å; Y452-L484 HydrophobicContact CE1-CD2 4.06Å; Y452-L484 HydrophobicContact CE2-CD2 3.74Å; Y452-L484 HydrophobicContact CE2-CG 4.31Å; Y452-L484 HydrophobicContact CG-CD2 3.7Å |
| 453 | R | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61 | -53.9 | -177.7 | -178.1 | -172.4 | 81.8 | 164.2 | 4.2 | 111.4 | N421 Y422 S424 E429 F449 L450 A451 M456 I457 L491 | N421-R453 PolarHBondContact O-NH1 3.41Å; N421-R453 PolarHBondContact O-NH2 3.15Å; Y422-R453 VanDerWaalsContact C-NH2 3.29Å; Y422-R453 PolarHBondContact O-NH2 2.77Å; S424-R453 PolarHBondContact O-NH1 3.41Å; S424-R453 PolarHBondContact O-NH2 3.07Å; E429-R453 VanDerWaalsContact CD-NH1 3.3Å; E429-R453 WeakPolarHBondContact OE1-CD 3.39Å; E429-R453 IonicContact OE1-CZ 3.96Å; E429-R453 IonicContact OE1-NE 2.75Å; E429-R453 IonicContact OE1-NH1 2.81Å; E429-R453 PolarHBondContact OE1-NH1 3.06Å; E429-R453 IonicContact OE2-NH1 3.17Å; E429-R453 PolarHBondContact OE2-NH1 3.44Å; E429-R453 VanDerWaalsContact OE2-NH1 3.07Å; F449-R453 HydrophobicContact CE2-CB 4.43Å; F449-R453 HydrophobicContact CZ-CB 4.28Å; F449-R453 HydrophobicContact CZ-CG 4.31Å; F449-R453 WeakPolarHBondContact O-CB 3.43Å; F449-R453 PolarHBondContact O-N 3.12Å; L450-R453 PolarHBondContact O-N 3.08Å; A451-R453 PolarHBondContact O-N 3.4Å; R453-M456 PolarHBondContact O-N 3Å; R453-I457 HydrophobicContact CG-CD1 4.04Å; R453-I457 WeakPolarHBondContact O-CG1 3.37Å; R453-I457 PolarHBondContact O-N 3.33Å; R453-I457 VanDerWaalsContact O-N 3.1Å; R453-L491 HydrophobicContact CG-CD1 4.04Å; R453-L491 HydrophobicContact CG-CD2 3.93Å |
| 454 | N | 95.9 | Very high | 95 | Very high | 17 Ų | 17 | 39.3 Ų | 39.3 | 9% | 0.091 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.9 | -46.4 | -175 | -71.3 | 18.1 | 0 | 0 | 0 | 109.7 | Y422 L450 M456 I457 D458 | Y422-N454 HydrophobicContact CD2-CB 4.26Å; Y422-N454 HydrophobicContact CE2-CB 3.46Å; Y422-N454 VanDerWaalsContact CE2-CB 3.46Å; Y422-N454 VanDerWaalsContact CE2-ND2 3.28Å; Y422-N454 WeakPolarHBondContact CE2-ND2 3.48Å; Y422-N454 PolarHBondContact O-ND2 2.77Å; L450-N454 VanDerWaalsContact O-CB 3.3Å; L450-N454 WeakPolarHBondContact O-CB 3.26Å; L450-N454 VanDerWaalsContact O-CG 3.32Å; L450-N454 PolarHBondContact O-N 2.93Å; L450-N454 PolarHBondContact O-OD1 3.26Å; N454-M456 VanDerWaalsContact C-N 3.31Å; N454-M456 PolarHBondContact O-N 2.97Å; N454-I457 PolarHBondContact O-N 2.85Å; N454-D458 VanDerWaalsContact O-CG 3.28Å; N454-D458 PolarHBondContact O-N 2.86Å |
| 455 | F | 96.4 | Very high | 94.9 | Very high | 68 Ų | 68 | 42.6 Ų | 42.6 | 30% | 0.298 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -51.6 | -45.6 | 173.6 | 178.5 | -87.8 | 0 | 0 | 0 | 113.3 | A451 T459 N476 L477 | A451-F455 VanDerWaalsContact O-CB 3.24Å; A451-F455 WeakPolarHBondContact O-CB 3.3Å; A451-F455 PolarHBondContact O-N 2.96Å; A451-F455 VanDerWaalsContact O-N 3.08Å; F455-T459 WeakPolarHBondContact CE1-OG1 3.18Å; F455-T459 WeakPolarHBondContact CZ-OG1 3.5Å; F455-T459 VanDerWaalsContact O-CB 3.24Å; F455-T459 WeakPolarHBondContact O-CB 3.16Å; F455-T459 PolarHBondContact O-N 2.92Å; F455-T459 PolarHBondContact O-OG1 3.41Å; F455-N476 HydrophobicContact CE1-CB 3.93Å; F455-N476 HydrophobicContact CE2-CB 4.17Å; F455-N476 HydrophobicContact CZ-CB 3.4Å; F455-N476 VanDerWaalsContact CZ-CB 3.4Å; F455-L477 HydrophobicContact CB-CD2 4Å; F455-L477 HydrophobicContact CD1-CD1 3.75Å; F455-L477 HydrophobicContact CD1-CD2 3.72Å; F455-L477 HydrophobicContact CD1-CG 3.68Å; F455-L477 HydrophobicContact CD2-CD2 4.29Å; F455-L477 HydrophobicContact CE1-CD1 4.43Å; F455-L477 HydrophobicContact CE1-CD2 4.33Å; F455-L477 HydrophobicContact CE1-CG 4.07Å; F455-L477 HydrophobicContact CG-CD1 4.4Å; F455-L477 HydrophobicContact CG-CD2 3.71Å; F455-L477 HydrophobicContact CG-CG 4.22Å |
| 456 | M | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.5 | -41.4 | 178.2 | -69.8 | -179.6 | -165.3 | 0 | 0 | 112.2 | Y452 R453 N454 Y460 L468 C473 L477 L484 V487 H488 L491 | Y452-M456 VanDerWaalsContact O-CG 3.27Å; Y452-M456 WeakPolarHBondContact O-CG 3.3Å; Y452-M456 PolarHBondContact O-N 3.08Å; Y452-M456 VanDerWaalsContact O-N 3.14Å; R453-M456 PolarHBondContact O-N 3Å; N454-M456 VanDerWaalsContact C-N 3.31Å; N454-M456 PolarHBondContact O-N 2.97Å; M456-Y460 WeakPolarHBondContact O-CB 3.49Å; M456-Y460 PolarHBondContact O-N 3.42Å; M456-Y460 VanDerWaalsContact O-N 3.15Å; M456-L468 HydrophobicContact CB-CD2 4.45Å; M456-L468 WeakPolarHBondContact O-CD2 3.27Å; M456-C473 HydrophobicContact CE-CB 4.05Å; M456-C473 HydrophobicContact CG-CB 4.21Å; M456-L477 HydrophobicContact CE-CD1 3.69Å; M456-L477 HydrophobicContact CG-CD1 4.29Å; M456-L484 HydrophobicContact CE-CD2 3.87Å; M456-V487 HydrophobicContact CE-CB 4.21Å; M456-V487 HydrophobicContact CE-CG1 4.08Å; M456-V487 HydrophobicContact SD-CB 4.43Å; M456-V487 HydrophobicContact SD-CG1 3.88Å; M456-H488 HydrophobicContact CE-CB 4.28Å; M456-H488 HydrophobicContact SD-CB 3.81Å; M456-L491 HydrophobicContact CB-CD1 4.07Å; M456-L491 HydrophobicContact SD-CD1 4.24Å |
| 457 | I | 95.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.7 | -47.3 | 178.3 | -71.4 | 172.4 | 0 | 0 | 0 | 110.6 | F420 R453 N454 Y460 R461 L491 L496 I497 | F420-I457 HydrophobicContact CE1-CD1 4.11Å; F420-I457 HydrophobicContact CE2-CD1 3.69Å; F420-I457 HydrophobicContact CZ-CD1 3.32Å; R453-I457 HydrophobicContact CG-CD1 4.04Å; R453-I457 WeakPolarHBondContact O-CG1 3.37Å; R453-I457 PolarHBondContact O-N 3.33Å; R453-I457 VanDerWaalsContact O-N 3.1Å; N454-I457 PolarHBondContact O-N 2.85Å; I457-Y460 PolarHBondContact O-N 2.58Å; I457-R461 HydrophobicContact CG2-CG 4.43Å; I457-R461 VanDerWaalsContact CG2-CZ 3.47Å; I457-R461 VanDerWaalsContact O-CG 3.23Å; I457-R461 WeakPolarHBondContact O-CG 3.45Å; I457-R461 PolarHBondContact O-N 3.23Å; I457-L491 HydrophobicContact CD1-CD2 4.3Å; I457-L491 HydrophobicContact CG1-CD1 4.25Å; I457-L496 HydrophobicContact CD1-CB 4.29Å; I457-L496 HydrophobicContact CG1-CB 4.4Å; I457-I497 HydrophobicContact CG1-CG2 4.12Å |
| 458 | D | 94.7 | Very high | 94.9 | Very high | 46 Ų | 46 | 41.1 Ų | 41.1 | 25% | 0.246 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -72.8 | -37.7 | -175.5 | -55.4 | -39.1 | 0 | 0 | 0 | 111.5 | Y422 N454 Y460 R461 L462 | Y422-D458 WeakPolarHBondContact CE2-OD1 3.32Å; Y422-D458 VanDerWaalsContact CE2-OD2 3.28Å; Y422-D458 WeakPolarHBondContact CE2-OD2 3.34Å; Y422-D458 PolarHBondContact OH-OD2 3.21Å; N454-D458 VanDerWaalsContact O-CG 3.28Å; N454-D458 PolarHBondContact O-N 2.86Å; D458-Y460 VanDerWaalsContact C-N 3.28Å; D458-Y460 PolarHBondContact O-N 2.94Å; D458-R461 PolarHBondContact O-N 3.2Å; D458-R461 VanDerWaalsContact O-N 3.09Å; D458-R461 IonicContact OD1-NH1 3.47Å; D458-L462 PolarHBondContact O-N 2.92Å |
| 459 | T | 94.4 | Very high | 94.9 | Very high | 48 Ų | 48 | 40.1 Ų | 40.1 | 29% | 0.294 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.6 | -39.9 | 171.8 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | F455 L468 | F455-T459 WeakPolarHBondContact CE1-OG1 3.18Å; F455-T459 WeakPolarHBondContact CZ-OG1 3.5Å; F455-T459 VanDerWaalsContact O-CB 3.24Å; F455-T459 WeakPolarHBondContact O-CB 3.16Å; F455-T459 PolarHBondContact O-N 2.92Å; F455-T459 PolarHBondContact O-OG1 3.41Å; T459-L468 HydrophobicContact CG2-CD1 3.77Å; T459-L468 HydrophobicContact CG2-CD2 4.33Å |
| 460 | Y | 95.3 | Very high | 94.9 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.7 | -37.4 | 174.4 | 171.3 | -109.5 | 0 | 0 | 0 | 112.4 | M456 I457 D458 L462 N463 P464 L468 I497 N498 Y499 Q500 V501 | M456-Y460 WeakPolarHBondContact O-CB 3.49Å; M456-Y460 PolarHBondContact O-N 3.42Å; M456-Y460 VanDerWaalsContact O-N 3.15Å; I457-Y460 PolarHBondContact O-N 2.58Å; D458-Y460 VanDerWaalsContact C-N 3.28Å; D458-Y460 PolarHBondContact O-N 2.94Å; Y460-L462 VanDerWaalsContact C-N 3.27Å; Y460-L462 PolarHBondContact O-N 3.39Å; Y460-N463 CarbonylContact O-C 3.55Å; Y460-N463 PolarHBondContact O-N 2.99Å; Y460-P464 HydrophobicContact CE1-CB 4.09Å; Y460-P464 HydrophobicContact CE2-CB 4.14Å; Y460-P464 VanDerWaalsContact CE2-O 3.31Å; Y460-P464 WeakPolarHBondContact CE2-O 3.15Å; Y460-P464 WeakPolarHBondContact O-CA 3.46Å; Y460-P464 PolarHBondContact OH-O 2.85Å; Y460-L468 HydrophobicContact CD2-CB 4.36Å; Y460-I497 HydrophobicContact CD1-CB 4.09Å; Y460-I497 HydrophobicContact CD1-CG2 4.14Å; Y460-I497 HydrophobicContact CD2-CB 4.47Å; Y460-I497 HydrophobicContact CG-CB 3.94Å; Y460-I497 HydrophobicContact CG-CG2 4.07Å; Y460-N498 VanDerWaalsContact CZ-N 3.3Å; Y460-Y499 PolarHBondContact OH-N 2.76Å; Y460-Q500 WeakPolarHBondContact OH-CB 3.47Å; Y460-Q500 PolarHBondContact OH-N 3.26Å; Y460-V501 HydrophobicContact CE2-CG2 3.85Å |
| 461 | R | 93.9 | Very high | 94.8 | Very high | 70 Ų | 70 | 43.4 Ų | 43.4 | 26% | 0.264 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.6 | -21.3 | -178.8 | -72.8 | 170.6 | 169.4 | -178 | -8 | 114.3 | I411 I457 D458 | I411-R461 HydrophobicContact CD1-CB 3.99Å; I411-R461 HydrophobicContact CD1-CG 3.82Å; I411-R461 HydrophobicContact CG1-CB 4.36Å; I411-R461 HydrophobicContact CG1-CG 3.92Å; I411-R461 HydrophobicContact CG2-CG 4.38Å; I457-R461 HydrophobicContact CG2-CG 4.43Å; I457-R461 VanDerWaalsContact CG2-CZ 3.47Å; I457-R461 VanDerWaalsContact O-CG 3.23Å; I457-R461 WeakPolarHBondContact O-CG 3.45Å; I457-R461 PolarHBondContact O-N 3.23Å; D458-R461 PolarHBondContact O-N 3.2Å; D458-R461 VanDerWaalsContact O-N 3.09Å; D458-R461 IonicContact OD1-NH1 3.47Å |
| 462 | L | 91.8 | Very high | 94.8 | Very high | 104 Ų | 104 | 42.9 Ų | 42.9 | 55% | 0.545 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.8 | -41.6 | 173.6 | -67.1 | 174.4 | 0 | 0 | 0 | 112 | H409 D458 Y460 | H409-L462 PolarHBondContact CE1-O 3.03Å; H409-L462 VanDerWaalsContact CE1-O 3.26Å; H409-L462 PolarHBondContact ND1-O 3.28Å; D458-L462 PolarHBondContact O-N 2.92Å; Y460-L462 VanDerWaalsContact C-N 3.27Å; Y460-L462 PolarHBondContact O-N 3.39Å |
| 463 | N | 91.8 | Very high | 94.8 | Very high | 52 Ų | 52 | 42 Ų | 42 | 28% | 0.278 | 22% | 0.222 | S | C | . | . | trans | -142.6 | 96.8 | 168.1 | -177.4 | 9.3 | 0 | 0 | 0 | 110.7 | Y460 Q465 D466 | Y460-N463 CarbonylContact O-C 3.55Å; Y460-N463 PolarHBondContact O-N 2.99Å; N463-Q465 PolarHBondContact O-N 3.49Å; N463-Q465 WeakPolarHBondContact OD1-CB 3.34Å; N463-Q465 PolarHBondContact OD1-N 3.2Å; N463-D466 PolarHBondContact ND2-OD1 3.31Å; N463-D466 PolarHBondContact ND2-OD2 3.01Å; N463-D466 PolarHBondContact O-N 2.85Å | ||
| 464 | P | 93.6 | Very high | 94.7 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.019 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -3 | -175.3 | 32.6 | -37.8 | 0 | 0 | 0 | 114.4 | H409 I411 Y460 Q500 V501 | H409-P464 HydrophobicContact CB-CG 3.71Å; I411-P464 HydrophobicContact CD1-CB 3.87Å; I411-P464 HydrophobicContact CD1-CG 3.87Å; Y460-P464 HydrophobicContact CE1-CB 4.09Å; Y460-P464 HydrophobicContact CE2-CB 4.14Å; Y460-P464 VanDerWaalsContact CE2-O 3.31Å; Y460-P464 WeakPolarHBondContact CE2-O 3.15Å; Y460-P464 WeakPolarHBondContact O-CA 3.46Å; Y460-P464 PolarHBondContact OH-O 2.85Å; P464-Q500 HydrophobicContact CB-CB 4.46Å; P464-V501 WeakPolarHBondContact O-CG2 3.44Å |
| 465 | Q | 92.1 | Very high | 94.7 | Very high | 96 Ų | 96 | 57.2 Ų | 57.2 | 45% | 0.449 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -29.1 | 175.1 | -57.4 | -62.3 | -96.9 | 0 | 0 | 112.4 | N463 Q500 | N463-Q465 PolarHBondContact O-N 3.49Å; N463-Q465 WeakPolarHBondContact OD1-CB 3.34Å; N463-Q465 PolarHBondContact OD1-N 3.2Å; Q465-Q500 PolarHBondContact NE2-O 3.06Å |
| 466 | D | 92.8 | Very high | 94.6 | Very high | 104 Ų | 104 | 59.3 Ų | 59.3 | 56% | 0.556 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -79.9 | 142.9 | 178.2 | -72.6 | -16 | 0 | 0 | 0 | 111.5 | N463 L468 V501 | N463-D466 PolarHBondContact ND2-OD1 3.31Å; N463-D466 PolarHBondContact ND2-OD2 3.01Å; N463-D466 PolarHBondContact O-N 2.85Å; D466-L468 PolarHBondContact O-N 3.21Å; D466-L468 VanDerWaalsContact O-N 3.16Å; D466-V501 WeakPolarHBondContact O-CG2 3.3Å |
| 467 | Y | 96.2 | Very high | 94.4 | Very high | 54 Ų | 54 | 60.3 Ų | 60.3 | 21% | 0.212 | 30% | 0.298 | C | S | . | . | trans | -72.7 | 106.8 | 173.4 | -173 | -96.4 | 0 | 0 | 0 | 111.9 | S469 E492 N498 V501 R506 P507 | Y467-S469 PolarHBondContact O-N 2.87Å; Y467-E492 WeakPolarHBondContact CE2-OE1 3.19Å; Y467-E492 PolarHBondContact OH-OE1 3.24Å; Y467-E492 VanDerWaalsContact OH-OE1 3.1Å; Y467-E492 PolarHBondContact OH-OE2 3.5Å; Y467-N498 HydrophobicContact CD2-CB 4.06Å; Y467-N498 HydrophobicContact CE2-CB 3.94Å; Y467-N498 WeakPolarHBondContact CE2-ND2 3.45Å; Y467-V501 HydrophobicContact CD2-CG1 4.21Å; Y467-R506 HydrophobicContact CD2-CB 4.49Å; Y467-R506 HydrophobicContact CD2-CG 3.76Å; Y467-R506 HydrophobicContact CE2-CG 3.6Å; Y467-P507 HydrophobicContact CD1-CG 3.6Å; Y467-P507 HydrophobicContact CE1-CG 3.83Å; Y467-P507 HydrophobicContact CG-CG 4.19Å | ||
| 468 | L | 95.9 | Very high | 94.2 | Very high | 16 Ų | 16 | 66.7 Ų | 66.7 | 8% | 0.084 | 34% | 0.338 | C | S | . | . | trans | -71 | 103.5 | 172 | 179.5 | 60.1 | 0 | 0 | 0 | 109.8 | M456 T459 Y460 D466 H488 N498 | M456-L468 HydrophobicContact CB-CD2 4.45Å; M456-L468 WeakPolarHBondContact O-CD2 3.27Å; T459-L468 HydrophobicContact CG2-CD1 3.77Å; T459-L468 HydrophobicContact CG2-CD2 4.33Å; Y460-L468 HydrophobicContact CD2-CB 4.36Å; D466-L468 PolarHBondContact O-N 3.21Å; D466-L468 VanDerWaalsContact O-N 3.16Å; L468-H488 PolarHBondContact O-NE2 2.87Å; L468-N498 WeakPolarHBondContact CB-OD1 3.12Å; L468-N498 PolarHBondContact N-OD1 3.38Å; L468-N498 PolarHBondContact O-ND2 3.16Å | ||
| 469 | S | 95.8 | Very high | 93.9 | Very high | 30 Ų | 30 | 66.7 Ų | 66.7 | 21% | 0.21 | 35% | 0.348 | C | S | . | . | trans | -78.5 | 146.1 | 177.7 | 87.6 | 0 | 0 | 0 | 0 | 112.9 | Y467 T471 S472 C473 | Y467-S469 PolarHBondContact O-N 2.87Å; S469-T471 PolarHBondContact O-N 3.07Å; S469-T471 PolarHBondContact OG-N 3.09Å; S469-S472 WeakPolarHBondContact O-CB 3.37Å; S469-S472 PolarHBondContact O-N 3.07Å; S469-S472 PolarHBondContact OG-N 3.16Å; S469-S472 PolarHBondContact OG-OG 3.3Å; S469-C473 PolarHBondContact O-N 3.46Å; S469-C473 VanDerWaalsContact O-N 3.15Å; S469-C473 PolarHBondContact O-SG 2.99Å | ||
| 470 | S | 95.7 | Very high | 93.8 | Very high | 35 Ų | 35 | 67.4 Ų | 67.4 | 25% | 0.245 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.3 | -30.6 | 170.3 | 56.4 | 0 | 0 | 0 | 0 | 112.5 | C473 R474 | S470-C473 PolarHBondContact O-N 2.96Å; S470-R474 WeakPolarHBondContact O-CB 3.44Å; S470-R474 PolarHBondContact O-N 3.07Å |
| 471 | T | 94.3 | Very high | 93.8 | Very high | 83 Ų | 83 | 70.1 Ų | 70.1 | 51% | 0.509 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.1 | -38.5 | 172.6 | -58.8 | 0 | 0 | 0 | 0 | 112.2 | S469 R475 | S469-T471 PolarHBondContact O-N 3.07Å; S469-T471 PolarHBondContact OG-N 3.09Å; T471-R475 PolarHBondContact O-N 2.77Å |
| 472 | S | 94.4 | Very high | 93.8 | Very high | 48 Ų | 48 | 69.9 Ų | 69.9 | 34% | 0.336 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.6 | -51.4 | 173.3 | -53 | 0 | 0 | 0 | 0 | 109.9 | S469 R474 R475 N476 | S469-S472 WeakPolarHBondContact O-CB 3.37Å; S469-S472 PolarHBondContact O-N 3.07Å; S469-S472 PolarHBondContact OG-N 3.16Å; S469-S472 PolarHBondContact OG-OG 3.3Å; S472-R474 VanDerWaalsContact C-N 3.26Å; S472-R474 PolarHBondContact O-N 2.86Å; S472-R475 WeakPolarHBondContact O-CB 3.46Å; S472-R475 PolarHBondContact O-N 3.46Å; S472-N476 PolarHBondContact O-OD1 2.75Å |
| 473 | C | 95.7 | Very high | 93.9 | Very high | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.014 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -55.8 | -40.5 | 178.6 | -54.7 | 0 | 0 | 0 | 0 | 112.3 | M456 S469 S470 R475 N476 L477 | M456-C473 HydrophobicContact CE-CB 4.05Å; M456-C473 HydrophobicContact CG-CB 4.21Å; S469-C473 PolarHBondContact O-N 3.46Å; S469-C473 VanDerWaalsContact O-N 3.15Å; S469-C473 PolarHBondContact O-SG 2.99Å; S470-C473 PolarHBondContact O-N 2.96Å; C473-R475 PolarHBondContact O-N 3.42Å; C473-N476 PolarHBondContact O-N 3.43Å; C473-L477 WeakPolarHBondContact O-CB 3.24Å; C473-L477 PolarHBondContact O-N 3.15Å |
| 474 | R | 95.3 | Very high | 94.1 | Very high | 141 Ų | 141 | 62.7 Ų | 62.7 | 53% | 0.532 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.5 | -21.6 | 176.4 | -170.6 | -157.9 | 160.5 | -77.9 | 1.9 | 113.8 | S470 S472 V481 | S470-R474 WeakPolarHBondContact O-CB 3.44Å; S470-R474 PolarHBondContact O-N 3.07Å; S472-R474 VanDerWaalsContact C-N 3.26Å; S472-R474 PolarHBondContact O-N 2.86Å; R474-V481 HydrophobicContact CG-CG2 4.13Å |
| 475 | R | 95.4 | Very high | 94.2 | Very high | 197 Ų | 197 | 66.5 Ų | 66.5 | 74% | 0.743 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -74.2 | -29.8 | 176.2 | -69.5 | 173.9 | 179.3 | -176.8 | -0.6 | 112.2 | T471 S472 C473 | T471-R475 PolarHBondContact O-N 2.77Å; S472-R475 WeakPolarHBondContact O-CB 3.46Å; S472-R475 PolarHBondContact O-N 3.46Å; C473-R475 PolarHBondContact O-N 3.42Å |
| 476 | N | 93.6 | Very high | 94.5 | Very high | 112 Ų | 112 | 66.9 Ų | 66.9 | 60% | 0.599 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -108.2 | -20.6 | -173 | -61.8 | 83.2 | 0 | 0 | 0 | 113.3 | F455 S472 C473 | F455-N476 HydrophobicContact CE1-CB 3.93Å; F455-N476 HydrophobicContact CE2-CB 4.17Å; F455-N476 HydrophobicContact CZ-CB 3.4Å; F455-N476 VanDerWaalsContact CZ-CB 3.4Å; S472-N476 PolarHBondContact O-OD1 2.75Å; C473-N476 PolarHBondContact O-N 3.43Å |
| 477 | L | 94.2 | Very high | 94.7 | Very high | 21 Ų | 21 | 62 Ų | 62 | 11% | 0.11 | 33% | 0.328 | C | S | . | . | trans | -103.5 | 118.4 | 178.4 | -63.9 | 179.7 | 0 | 0 | 0 | 112.3 | Y452 F455 M456 C473 L484 | Y452-L477 HydrophobicContact CD1-CB 4.26Å; Y452-L477 HydrophobicContact CD1-CD1 3.95Å; Y452-L477 HydrophobicContact CD1-CD2 4.02Å; Y452-L477 HydrophobicContact CD1-CG 4.31Å; Y452-L477 HydrophobicContact CE1-CB 4.32Å; Y452-L477 HydrophobicContact CG-CD1 4.24Å; F455-L477 HydrophobicContact CB-CD2 4Å; F455-L477 HydrophobicContact CD1-CD1 3.75Å; F455-L477 HydrophobicContact CD1-CD2 3.72Å; F455-L477 HydrophobicContact CD1-CG 3.68Å; F455-L477 HydrophobicContact CD2-CD2 4.29Å; F455-L477 HydrophobicContact CE1-CD1 4.43Å; F455-L477 HydrophobicContact CE1-CD2 4.33Å; F455-L477 HydrophobicContact CE1-CG 4.07Å; F455-L477 HydrophobicContact CG-CD1 4.4Å; F455-L477 HydrophobicContact CG-CD2 3.71Å; F455-L477 HydrophobicContact CG-CG 4.22Å; M456-L477 HydrophobicContact CE-CD1 3.69Å; M456-L477 HydrophobicContact CG-CD1 4.29Å; C473-L477 WeakPolarHBondContact O-CB 3.24Å; C473-L477 PolarHBondContact O-N 3.15Å; L477-L484 HydrophobicContact CB-CD1 4.14Å; L477-L484 HydrophobicContact CB-CD2 3.76Å; L477-L484 HydrophobicContact CD1-CD2 3.67Å; L477-L484 HydrophobicContact CG-CD2 4.39Å; L477-L484 WeakPolarHBondContact O-CD1 3.39Å | ||
| 478 | T | 91.3 | Very high | 94.8 | Very high | 135 Ų | 135 | 59.7 Ų | 59.7 | 83% | 0.828 | 32% | 0.319 | S | S | * | . | trans | -78.8 | 121.2 | 173.3 | -54.4 | 0 | 0 | 0 | 0 | 110.9 | Y452 | Y452-T478 PolarHBondContact OH-O 3.03Š| ||
| 479 | G | 89.2 | Confident | 94.8 | Very high | 45 Ų | 45 | 61.1 Ų | 61.1 | 46% | 0.464 | 33% | 0.333 | S | S | . | . | S | Bend | trans | 173.4 | -172.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116 | Y452 V481 | Y452-G479 VanDerWaalsContact OH-CA 3.24Å; Y452-G479 WeakPolarHBondContact OH-CA 3.38Å; G479-V481 PolarHBondContact O-N 3.25Å |
| 480 | D | 92.5 | Very high | 94.9 | Very high | 64 Ų | 64 | 60.1 Ų | 60.1 | 34% | 0.342 | 33% | 0.325 | S | S | . | . | trans | -68.1 | 114.5 | 166.3 | 169.9 | 15.8 | 0 | 0 | 0 | 109.7 | K444 C482 A483 L484 | K444-D480 WeakPolarHBondContact CE-OD2 3.23Å; K444-D480 IonicContact NZ-OD2 3.16Å; K444-D480 PolarHBondContact NZ-OD2 2.84Å; D480-C482 PolarHBondContact O-N 3.29Å; D480-C482 WeakPolarHBondContact OD1-CB 3.26Å; D480-C482 PolarHBondContact OD1-N 3.31Å; D480-A483 HydrophobicContact CB-CB 4.02Å; D480-A483 WeakPolarHBondContact O-CB 3.46Å; D480-A483 PolarHBondContact O-N 2.9Å; D480-L484 PolarHBondContact O-N 2.99Å | ||
| 481 | V | 93.6 | Very high | 95 | Very high | 60 Ų | 60 | 58.4 Ų | 58.4 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -55.5 | -35.5 | 178.7 | 63.2 | 0 | 0 | 0 | 0 | 112.8 | R474 G479 A483 L484 I485 | R474-V481 HydrophobicContact CG-CG2 4.13Å; G479-V481 PolarHBondContact O-N 3.25Å; V481-A483 VanDerWaalsContact C-N 3.34Å; V481-L484 PolarHBondContact O-N 2.87Å; V481-I485 HydrophobicContact CG2-CD1 3.95Å; V481-I485 HydrophobicContact CG2-CG1 4.47Å; V481-I485 VanDerWaalsContact O-CG1 3.29Å; V481-I485 WeakPolarHBondContact O-CG1 3.39Å; V481-I485 PolarHBondContact O-N 2.86Å |
| 482 | C | 94.7 | Very high | 95.1 | Very high | 65 Ų | 65 | 56.2 Ų | 56.2 | 44% | 0.439 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -72.3 | -30.7 | 179.5 | -67 | 0 | 0 | 0 | 0 | 111.9 | D480 R486 | D480-C482 PolarHBondContact O-N 3.29Å; D480-C482 WeakPolarHBondContact OD1-CB 3.26Å; D480-C482 PolarHBondContact OD1-N 3.31Å; C482-R486 WeakPolarHBondContact O-CG 3.37Å; C482-R486 PolarHBondContact O-N 3.16Å; C482-R486 PolarHBondContact O-NH1 3.46Å; C482-R486 VanDerWaalsContact O-NH1 3.14Å |
| 483 | A | 93.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.008 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -74.5 | -41.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | F436 D480 V481 I485 R486 V487 | F436-A483 HydrophobicContact CE2-CB 4.34Å; F436-A483 HydrophobicContact CZ-CB 3.93Å; D480-A483 HydrophobicContact CB-CB 4.02Å; D480-A483 WeakPolarHBondContact O-CB 3.46Å; D480-A483 PolarHBondContact O-N 2.9Å; V481-A483 VanDerWaalsContact C-N 3.34Å; A483-I485 PolarHBondContact O-N 3.13Å; A483-R486 PolarHBondContact O-N 3.24Å; A483-R486 VanDerWaalsContact O-N 3.17Å; A483-V487 WeakPolarHBondContact O-CG2 3.33Å; A483-V487 PolarHBondContact O-N 3.19Å |
| 484 | L | 95.7 | Very high | 95.3 | Very high | 5 Ų | 5 | 63.8 Ų | 63.8 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 175 | -73.4 | 170 | 0 | 0 | 0 | 112.3 | Y452 M456 L477 D480 V481 R486 V487 H488 | Y452-L484 HydrophobicContact CD1-CD2 3.93Å; Y452-L484 HydrophobicContact CD2-CD2 3.59Å; Y452-L484 HydrophobicContact CE1-CD2 4.06Å; Y452-L484 HydrophobicContact CE2-CD2 3.74Å; Y452-L484 HydrophobicContact CE2-CG 4.31Å; Y452-L484 HydrophobicContact CG-CD2 3.7Å; M456-L484 HydrophobicContact CE-CD2 3.87Å; L477-L484 HydrophobicContact CB-CD1 4.14Å; L477-L484 HydrophobicContact CB-CD2 3.76Å; L477-L484 HydrophobicContact CD1-CD2 3.67Å; L477-L484 HydrophobicContact CG-CD2 4.39Å; L477-L484 WeakPolarHBondContact O-CD1 3.39Å; D480-L484 PolarHBondContact O-N 2.99Å; V481-L484 PolarHBondContact O-N 2.87Å; L484-R486 VanDerWaalsContact C-N 3.32Å; L484-R486 PolarHBondContact O-N 3.26Å; L484-V487 PolarHBondContact O-N 2.98Å; L484-H488 WeakPolarHBondContact O-CB 3.19Å; L484-H488 PolarHBondContact O-N 3.4Å |
| 485 | I | 96.1 | Very high | 95.3 | Very high | 82 Ų | 82 | 57.3 Ų | 57.3 | 42% | 0.421 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.8 | -38.4 | 175.2 | -69.2 | 166.7 | 0 | 0 | 0 | 111.1 | V481 A483 A489 | V481-I485 HydrophobicContact CG2-CD1 3.95Å; V481-I485 HydrophobicContact CG2-CG1 4.47Å; V481-I485 VanDerWaalsContact O-CG1 3.29Å; V481-I485 WeakPolarHBondContact O-CG1 3.39Å; V481-I485 PolarHBondContact O-N 2.86Å; A483-I485 PolarHBondContact O-N 3.13Å; I485-A489 VanDerWaalsContact O-CB 3.28Å; I485-A489 WeakPolarHBondContact O-CB 3.29Å; I485-A489 PolarHBondContact O-N 3.07Å |
| 486 | R | 97.6 | Very high | 95.4 | Very high | 105 Ų | 105 | 48.3 Ų | 48.3 | 40% | 0.396 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.8 | -37.3 | 175.5 | -77.7 | -172.2 | -64.8 | -83.9 | -0.2 | 113.4 | L433 E435 C482 A483 L484 F490 | L433-R486 HydrophobicContact CD2-CB 3.84Å; E435-R486 IonicContact OE1-CZ 3.45Å; E435-R486 IonicContact OE1-NE 2.77Å; E435-R486 PolarHBondContact OE1-NE 3.37Å; E435-R486 IonicContact OE1-NH2 2.81Å; E435-R486 PolarHBondContact OE1-NH2 3.39Å; E435-R486 IonicContact OE2-CZ 3.4Å; E435-R486 IonicContact OE2-NH2 3.39Å; E435-R486 PolarHBondContact OE2-NH2 3.38Å; C482-R486 WeakPolarHBondContact O-CG 3.37Å; C482-R486 PolarHBondContact O-N 3.16Å; C482-R486 PolarHBondContact O-NH1 3.46Å; C482-R486 VanDerWaalsContact O-NH1 3.14Å; A483-R486 PolarHBondContact O-N 3.24Å; A483-R486 VanDerWaalsContact O-N 3.17Å; L484-R486 VanDerWaalsContact C-N 3.32Å; L484-R486 PolarHBondContact O-N 3.26Å; R486-F490 WeakPolarHBondContact O-CB 3.35Å; R486-F490 PolarHBondContact O-N 2.86Å |
| 487 | V | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.5 | -49.3 | 173.5 | 175.1 | 0 | 0 | 0 | 0 | 110 | L433 F436 F449 M456 A483 L484 F490 L491 | L433-V487 HydrophobicContact CD1-CG2 4.09Å; F436-V487 HydrophobicContact CE2-CG2 3.82Å; F436-V487 HydrophobicContact CZ-CG2 3.96Å; F449-V487 HydrophobicContact CD2-CG2 4.08Å; F449-V487 HydrophobicContact CE2-CG1 4.34Å; F449-V487 HydrophobicContact CE2-CG2 4.26Å; M456-V487 HydrophobicContact CE-CB 4.21Å; M456-V487 HydrophobicContact CE-CG1 4.08Å; M456-V487 HydrophobicContact SD-CB 4.43Å; M456-V487 HydrophobicContact SD-CG1 3.88Å; A483-V487 WeakPolarHBondContact O-CG2 3.33Å; A483-V487 PolarHBondContact O-N 3.19Å; L484-V487 PolarHBondContact O-N 2.98Å; V487-F490 PolarHBondContact O-N 3.27Å; V487-L491 HydrophobicContact CG1-CD1 4.05Å; V487-L491 WeakPolarHBondContact O-CG 3.42Å; V487-L491 PolarHBondContact O-N 2.79Å; V487-L491 VanDerWaalsContact O-N 3.07Å |
| 488 | H | 97.8 | Very high | 95.6 | Very high | 6 Ų | 6 | 42 Ų | 42 | 3% | 0.028 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.3 | -54.4 | 177.4 | 173.5 | -88.6 | 0 | 0 | 0 | 111.9 | M456 L468 L484 F490 L491 E492 I497 | M456-H488 HydrophobicContact CE-CB 4.28Å; M456-H488 HydrophobicContact SD-CB 3.81Å; L468-H488 PolarHBondContact O-NE2 2.87Å; L484-H488 WeakPolarHBondContact O-CB 3.19Å; L484-H488 PolarHBondContact O-N 3.4Å; H488-F490 VanDerWaalsContact C-N 3.3Å; H488-F490 PolarHBondContact O-N 3.32Å; H488-L491 PolarHBondContact O-N 3.29Å; H488-L491 VanDerWaalsContact O-N 3.12Å; H488-E492 IonicContact CE1-OE2 3.73Å; H488-E492 PolarHBondContact CE1-OE2 3.41Å; H488-E492 IonicContact ND1-OE2 3.43Å; H488-E492 WeakPolarHBondContact O-CB 3.5Å; H488-E492 PolarHBondContact O-N 3.38Å; H488-I497 VanDerWaalsContact CD2-CD1 3.44Å; H488-I497 WeakPolarHBondContact CD2-CD1 3.45Å |
| 489 | A | 97.1 | Very high | 95.9 | Very high | 47 Ų | 47 | 40.9 Ų | 40.9 | 39% | 0.388 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.6 | -33.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I485 Q493 | I485-A489 VanDerWaalsContact O-CB 3.28Å; I485-A489 WeakPolarHBondContact O-CB 3.29Å; I485-A489 PolarHBondContact O-N 3.07Å; A489-Q493 WeakPolarHBondContact O-CB 3.41Å; A489-Q493 PolarHBondContact O-N 3.07Å |
| 490 | F | 98.1 | Very high | 96.1 | Very high | 8 Ų | 8 | 40.3 Ų | 40.3 | 4% | 0.035 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.9 | -43.6 | 173.8 | 169.8 | -96.4 | 0 | 0 | 0 | 111.9 | W419 I428 E429 A432 L433 R486 V487 H488 Q493 W494 | W419-F490 HydrophobicContact CH2-CE1 4.35Å; W419-F490 AromaticContact CH2-CZ 3.94Å; W419-F490 HydrophobicContact CH2-CZ 3.94Å; W419-F490 HydrophobicContact CZ2-CZ 4.4Å; I428-F490 HydrophobicContact CG2-CE2 4.29Å; I428-F490 HydrophobicContact CG2-CZ 4.29Å; E429-F490 HydrophobicContact CB-CE1 4.46Å; E429-F490 HydrophobicContact CB-CZ 4.28Å; E429-F490 HydrophobicContact CG-CE1 3.86Å; E429-F490 HydrophobicContact CG-CZ 3.77Å; A432-F490 HydrophobicContact CB-CD2 3.56Å; A432-F490 HydrophobicContact CB-CE2 3.37Å; A432-F490 HydrophobicContact CB-CZ 4.38Å; L433-F490 HydrophobicContact CD1-CB 3.98Å; L433-F490 HydrophobicContact CD1-CD1 3.93Å; L433-F490 HydrophobicContact CD1-CG 3.88Å; L433-F490 HydrophobicContact CG-CB 4.48Å; L433-F490 HydrophobicContact CG-CG 4.4Å; R486-F490 WeakPolarHBondContact O-CB 3.35Å; R486-F490 PolarHBondContact O-N 2.86Å; V487-F490 PolarHBondContact O-N 3.27Å; H488-F490 VanDerWaalsContact C-N 3.3Å; H488-F490 PolarHBondContact O-N 3.32Å; F490-Q493 PolarHBondContact O-N 3.27Å; F490-W494 AromaticContact CD2-CD1 3.76Å; F490-W494 AromaticContact CD2-NE1 3.94Å; F490-W494 AromaticContact CE2-CD1 3.4Å; F490-W494 VanDerWaalsContact CE2-CD1 3.4Å; F490-W494 AromaticContact CE2-NE1 3.33Å; F490-W494 VanDerWaalsContact CE2-NE1 3.33Å; F490-W494 AromaticContact CZ-CD1 3.69Å; F490-W494 AromaticContact CZ-NE1 3.87Å; F490-W494 VanDerWaalsContact O-CD1 3.31Å; F490-W494 PolarHBondContact O-N 2.87Å; F490-W494 VanDerWaalsContact O-N 3.15Å |
| 491 | L | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70.3 | -36.8 | 179.4 | -62.8 | 174.3 | 0 | 0 | 0 | 112 | R453 M456 I457 V487 H488 W494 G495 L496 I497 | R453-L491 HydrophobicContact CG-CD1 4.04Å; R453-L491 HydrophobicContact CG-CD2 3.93Å; M456-L491 HydrophobicContact CB-CD1 4.07Å; M456-L491 HydrophobicContact SD-CD1 4.24Å; I457-L491 HydrophobicContact CD1-CD2 4.3Å; I457-L491 HydrophobicContact CG1-CD1 4.25Å; V487-L491 HydrophobicContact CG1-CD1 4.05Å; V487-L491 WeakPolarHBondContact O-CG 3.42Å; V487-L491 PolarHBondContact O-N 2.79Å; V487-L491 VanDerWaalsContact O-N 3.07Å; H488-L491 PolarHBondContact O-N 3.29Å; H488-L491 VanDerWaalsContact O-N 3.12Å; L491-W494 PolarHBondContact O-N 3.21Å; L491-G495 PolarHBondContact O-N 3.46Å; L491-G495 VanDerWaalsContact O-N 3.16Å; L491-L496 HydrophobicContact CB-CB 4.23Å; L491-L496 HydrophobicContact CD2-CB 4.2Å; L491-L496 HydrophobicContact CD2-CD1 3.56Å; L491-L496 PolarHBondContact O-N 3.15Å; L491-I497 HydrophobicContact CB-CD1 4.02Å; L491-I497 HydrophobicContact CB-CG1 3.9Å; L491-I497 HydrophobicContact CB-CG2 4.48Å; L491-I497 PolarHBondContact O-N 2.9Å |
| 492 | E | 96.4 | Very high | 96 | Very high | 36 Ų | 36 | 39.9 Ų | 39.9 | 17% | 0.168 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.7 | -43.7 | 173.1 | -179.4 | 167.8 | -161.5 | 0 | 0 | 111.8 | Y467 H488 W494 G495 I497 N498 R506 | Y467-E492 WeakPolarHBondContact CE2-OE1 3.19Å; Y467-E492 PolarHBondContact OH-OE1 3.24Å; Y467-E492 VanDerWaalsContact OH-OE1 3.1Å; Y467-E492 PolarHBondContact OH-OE2 3.5Å; H488-E492 IonicContact CE1-OE2 3.73Å; H488-E492 PolarHBondContact CE1-OE2 3.41Å; H488-E492 IonicContact ND1-OE2 3.43Å; H488-E492 WeakPolarHBondContact O-CB 3.5Å; H488-E492 PolarHBondContact O-N 3.38Å; E492-W494 VanDerWaalsContact C-N 3.27Å; E492-W494 PolarHBondContact O-N 3.33Å; E492-G495 PolarHBondContact O-N 3.33Å; E492-G495 VanDerWaalsContact O-N 3.07Å; E492-I497 HydrophobicContact CB-CD1 4.43Å; E492-I497 HydrophobicContact CB-CG1 4.05Å; E492-N498 HydrophobicContact CG-CB 4.29Å; E492-R506 VanDerWaalsContact CG-NH2 3.34Å; E492-R506 IonicContact OE1-CZ 2.69Å; E492-R506 IonicContact OE1-NE 3.46Å; E492-R506 PolarHBondContact OE1-NE 3.25Å; E492-R506 IonicContact OE1-NH2 3.81Å; E492-R506 PolarHBondContact OE1-NH2 3.24Å |
| 493 | Q | 96.4 | Very high | 95.7 | Very high | 148 Ų | 148 | 41 Ų | 41 | 69% | 0.692 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -60.2 | -34.7 | 175.8 | -178.6 | -179.2 | 8.4 | 0 | 0 | 112.8 | A489 F490 | A489-Q493 WeakPolarHBondContact O-CB 3.41Å; A489-Q493 PolarHBondContact O-N 3.07Å; F490-Q493 PolarHBondContact O-N 3.27Å |
| 494 | W | 97.4 | Very high | 95.4 | Very high | 62 Ų | 62 | 49.8 Ų | 49.8 | 24% | 0.235 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 2.4 | 177.1 | -78.8 | 98.6 | 0 | 0 | 0 | 113.9 | Y416 T417 W419 I428 F490 L491 E492 L496 | Y416-W494 AromaticContact CD2-CE3 3.77Å; Y416-W494 HydrophobicContact CD2-CE3 3.77Å; Y416-W494 AromaticContact CD2-CZ3 3.89Å; Y416-W494 HydrophobicContact CD2-CZ3 3.89Å; Y416-W494 HydrophobicContact CE2-CE3 4.12Å; T417-W494 HydrophobicContact CG2-CB 4.03Å; T417-W494 HydrophobicContact CG2-CE3 4.28Å; T417-W494 VanDerWaalsContact CG2-O 3.24Å; T417-W494 WeakPolarHBondContact CG2-O 3.38Å; T417-W494 PolarHBondContact OG1-O 2.7Å; W419-W494 AromaticContact CE2-CE3 3.92Å; W419-W494 AromaticContact CZ2-CD2 3.66Å; W419-W494 HydrophobicContact CZ2-CD2 3.66Å; W419-W494 AromaticContact CZ2-CE2 3.99Å; W419-W494 AromaticContact CZ2-CE3 3.87Å; W419-W494 HydrophobicContact CZ2-CE3 3.87Å; W419-W494 AromaticContact CZ2-CG 3.96Å; W419-W494 HydrophobicContact CZ2-CG 3.96Å; W419-W494 HydrophobicContact CZ2-CZ2 4.48Å; W419-W494 HydrophobicContact CZ2-CZ3 4.37Å; W419-W494 AromaticContact NE1-CE3 3.34Å; W419-W494 VanDerWaalsContact NE1-CE3 3.34Å; W419-W494 AromaticContact NE1-CH2 3.71Å; W419-W494 AromaticContact NE1-CZ3 3.15Å; I428-W494 HydrophobicContact CD1-CH2 4.15Å; I428-W494 HydrophobicContact CD1-CZ2 4.38Å; I428-W494 HydrophobicContact CG2-CH2 4.43Å; I428-W494 HydrophobicContact CG2-CZ2 3.65Å; F490-W494 AromaticContact CD2-CD1 3.76Å; F490-W494 AromaticContact CD2-NE1 3.94Å; F490-W494 AromaticContact CE2-CD1 3.4Å; F490-W494 VanDerWaalsContact CE2-CD1 3.4Å; F490-W494 AromaticContact CE2-NE1 3.33Å; F490-W494 VanDerWaalsContact CE2-NE1 3.33Å; F490-W494 AromaticContact CZ-CD1 3.69Å; F490-W494 AromaticContact CZ-NE1 3.87Å; F490-W494 VanDerWaalsContact O-CD1 3.31Å; F490-W494 PolarHBondContact O-N 2.87Å; F490-W494 VanDerWaalsContact O-N 3.15Å; L491-W494 PolarHBondContact O-N 3.21Å; E492-W494 VanDerWaalsContact C-N 3.27Å; E492-W494 PolarHBondContact O-N 3.33Å; W494-L496 VanDerWaalsContact C-N 3.28Å; W494-L496 HydrophobicContact CB-CD1 4.4Å; W494-L496 HydrophobicContact CB-CG 4.42Å; W494-L496 PolarHBondContact O-N 3.41Å |
| 495 | G | 95.8 | Very high | 95.1 | Very high | 4 Ų | 4 | 52.3 Ų | 52.3 | 4% | 0.041 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 28.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | P414 L491 E492 | P414-G495 WeakPolarHBondContact CD-O 3.31Å; L491-G495 PolarHBondContact O-N 3.46Å; L491-G495 VanDerWaalsContact O-N 3.16Å; E492-G495 PolarHBondContact O-N 3.33Å; E492-G495 VanDerWaalsContact O-N 3.07Å |
| 496 | L | 96.6 | Very high | 94.8 | Very high | 9 Ų | 9 | 52.8 Ų | 52.8 | 5% | 0.047 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -85.2 | -22.3 | 171.9 | -68.2 | 170.9 | 0 | 0 | 0 | 112.3 | I413 T417 F420 I457 L491 W494 | I413-L496 HydrophobicContact CG2-CD2 4.38Å; T417-L496 HydrophobicContact CG2-CD1 4.13Å; T417-L496 HydrophobicContact CG2-CD2 3.57Å; T417-L496 HydrophobicContact CG2-CG 3.7Å; F420-L496 HydrophobicContact CB-CD1 4.33Å; F420-L496 HydrophobicContact CB-CD2 3.9Å; F420-L496 HydrophobicContact CD1-CD2 3.69Å; F420-L496 HydrophobicContact CD2-CD1 3.49Å; F420-L496 VanDerWaalsContact CD2-CD1 3.49Å; F420-L496 HydrophobicContact CD2-CD2 4.03Å; F420-L496 HydrophobicContact CD2-CG 4.43Å; F420-L496 HydrophobicContact CE1-CD2 4.27Å; F420-L496 HydrophobicContact CE2-CD1 3.94Å; F420-L496 HydrophobicContact CG-CD1 3.89Å; F420-L496 HydrophobicContact CG-CD2 3.57Å; F420-L496 HydrophobicContact CG-CG 4.41Å; I457-L496 HydrophobicContact CD1-CB 4.29Å; I457-L496 HydrophobicContact CG1-CB 4.4Å; L491-L496 HydrophobicContact CB-CB 4.23Å; L491-L496 HydrophobicContact CD2-CB 4.2Å; L491-L496 HydrophobicContact CD2-CD1 3.56Å; L491-L496 PolarHBondContact O-N 3.15Å; W494-L496 VanDerWaalsContact C-N 3.28Å; W494-L496 HydrophobicContact CB-CD1 4.4Å; W494-L496 HydrophobicContact CB-CG 4.42Å; W494-L496 PolarHBondContact O-N 3.41Å |
| 497 | I | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -134.4 | 160.5 | 167.8 | 64 | 176.6 | 0 | 0 | 0 | 109.5 | I457 Y460 H488 L491 E492 Y499 | I457-I497 HydrophobicContact CG1-CG2 4.12Å; Y460-I497 HydrophobicContact CD1-CB 4.09Å; Y460-I497 HydrophobicContact CD1-CG2 4.14Å; Y460-I497 HydrophobicContact CD2-CB 4.47Å; Y460-I497 HydrophobicContact CG-CB 3.94Å; Y460-I497 HydrophobicContact CG-CG2 4.07Å; H488-I497 VanDerWaalsContact CD2-CD1 3.44Å; H488-I497 WeakPolarHBondContact CD2-CD1 3.45Å; L491-I497 HydrophobicContact CB-CD1 4.02Å; L491-I497 HydrophobicContact CB-CG1 3.9Å; L491-I497 HydrophobicContact CB-CG2 4.48Å; L491-I497 PolarHBondContact O-N 2.9Å; E492-I497 HydrophobicContact CB-CD1 4.43Å; E492-I497 HydrophobicContact CB-CG1 4.05Å; I497-Y499 PolarHBondContact O-N 3.09Å |
| 498 | N | 96.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | S | Bend | trans | 55.2 | 31.9 | 174.3 | -57.1 | -17.9 | 0 | 0 | 0 | 114.7 | Y460 Y467 L468 E492 V501 | Y460-N498 VanDerWaalsContact CZ-N 3.3Å; Y467-N498 HydrophobicContact CD2-CB 4.06Å; Y467-N498 HydrophobicContact CE2-CB 3.94Å; Y467-N498 WeakPolarHBondContact CE2-ND2 3.45Å; L468-N498 WeakPolarHBondContact CB-OD1 3.12Å; L468-N498 PolarHBondContact N-OD1 3.38Å; L468-N498 PolarHBondContact O-ND2 3.16Å; E492-N498 HydrophobicContact CG-CB 4.29Å; N498-V501 HydrophobicContact CB-CG2 4.36Å |
| 499 | Y | 95.9 | Very high | 93.5 | Very high | 110 Ų | 110 | 64.1 Ų | 64.1 | 43% | 0.431 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -93.7 | -29.7 | -177.9 | -173.7 | -113.9 | 0 | 0 | 0 | 113.8 | I412 P414 Y460 I497 | I412-Y499 HydrophobicContact CG2-CD1 4.31Å; I412-Y499 HydrophobicContact CG2-CE1 3.96Å; I412-Y499 WeakPolarHBondContact O-CD1 3.16Å; P414-Y499 HydrophobicContact CG-CD1 4.23Å; P414-Y499 HydrophobicContact CG-CD2 3.97Å; P414-Y499 HydrophobicContact CG-CE1 4.01Å; P414-Y499 HydrophobicContact CG-CE2 3.76Å; P414-Y499 HydrophobicContact CG-CG 4.22Å; Y460-Y499 PolarHBondContact OH-N 2.76Å; I497-Y499 PolarHBondContact O-N 3.09Å |
| 500 | Q | 94.4 | Very high | 93.1 | Very high | 34 Ų | 34 | 71 Ų | 71 | 16% | 0.159 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -100.8 | 13.9 | -180 | -59 | 170.2 | -109.5 | 0 | 0 | 113.1 | H410 I412 Y460 P464 Q465 | H410-Q500 PolarHBondContact O-NE2 3.11Å; I412-Q500 HydrophobicContact CB-CG 3.92Å; I412-Q500 HydrophobicContact CD1-CG 4.37Å; I412-Q500 HydrophobicContact CG1-CG 4.32Å; Y460-Q500 WeakPolarHBondContact OH-CB 3.47Å; Y460-Q500 PolarHBondContact OH-N 3.26Å; P464-Q500 HydrophobicContact CB-CB 4.46Å; Q465-Q500 PolarHBondContact NE2-O 3.06Å |
| 501 | V | 93.7 | Very high | 92.5 | Very high | 12 Ų | 12 | 73.3 Ų | 73.3 | 7% | 0.073 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -92.2 | 129.5 | -173.6 | 176.2 | 0 | 0 | 0 | 0 | 109.5 | Y460 P464 D466 Y467 N498 S505 | Y460-V501 HydrophobicContact CE2-CG2 3.85Å; P464-V501 WeakPolarHBondContact O-CG2 3.44Å; D466-V501 WeakPolarHBondContact O-CG2 3.3Å; Y467-V501 HydrophobicContact CD2-CG1 4.21Å; N498-V501 HydrophobicContact CB-CG2 4.36Å; V501-S505 WeakPolarHBondContact CG1-OG 3.06Å |
| 502 | D | 90 | Very high | 92.2 | Very high | 102 Ų | 102 | 79 Ų | 79 | 55% | 0.545 | 44% | 0.436 | S | S | . | . | trans | -62.6 | 140.6 | -177.3 | -79.2 | -48.6 | 0 | 0 | 0 | 112.6 | E504 S505 R506 | D502-E504 HydrophobicContact CB-CG 4.47Å; D502-E504 PolarHBondContact O-N 3.06Å; D502-E504 VanDerWaalsContact O-N 3.14Å; D502-S505 PolarHBondContact O-N 3.14Å; D502-S505 PolarHBondContact O-OG 3.44Å; D502-R506 PolarHBondContact O-N 2.78Å | ||
| 503 | A | 88.3 | Confident | 91.7 | Very high | 88 Ų | 88 | 82.4 Ų | 82.4 | 73% | 0.727 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -30 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 504 | E | 87.5 | Confident | 91.2 | Very high | 187 Ų | 187 | 80.1 Ų | 80.1 | 87% | 0.874 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -26.1 | 176.5 | 60 | 177.4 | -164.2 | 0 | 0 | 113.8 | D502 R506 | D502-E504 HydrophobicContact CB-CG 4.47Å; D502-E504 PolarHBondContact O-N 3.06Å; D502-E504 VanDerWaalsContact O-N 3.14Å; E504-R506 VanDerWaalsContact C-N 3.34Å |
| 505 | S | 89 | Confident | 90.7 | Very high | 58 Ų | 58 | 80.9 Ų | 80.9 | 41% | 0.406 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -14.2 | 178.1 | 74.4 | 0 | 0 | 0 | 0 | 113.1 | V501 D502 P507 | V501-S505 WeakPolarHBondContact CG1-OG 3.06Å; D502-S505 PolarHBondContact O-N 3.14Å; D502-S505 PolarHBondContact O-OG 3.44Å; S505-P507 WeakPolarHBondContact O-CD 3.39Å |
| 506 | R | 91 | Very high | 89.9 | Confident | 92 Ų | 92 | 85.6 Ų | 85.6 | 35% | 0.347 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -75.7 | 122 | -177 | -158.1 | -178.5 | -160.8 | 136.6 | 2.4 | 110.5 | Y467 E492 D502 E504 L508 | Y467-R506 HydrophobicContact CD2-CB 4.49Å; Y467-R506 HydrophobicContact CD2-CG 3.76Å; Y467-R506 HydrophobicContact CE2-CG 3.6Å; E492-R506 VanDerWaalsContact CG-NH2 3.34Å; E492-R506 IonicContact OE1-CZ 2.69Å; E492-R506 IonicContact OE1-NE 3.46Å; E492-R506 PolarHBondContact OE1-NE 3.25Å; E492-R506 IonicContact OE1-NH2 3.81Å; E492-R506 PolarHBondContact OE1-NH2 3.24Å; D502-R506 PolarHBondContact O-N 2.78Å; E504-R506 VanDerWaalsContact C-N 3.34Å; R506-L508 PolarHBondContact O-N 3.1Å |
| 507 | P | 89.8 | Confident | 88.9 | Confident | 87 Ų | 87 | 91.2 Ų | 91.2 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | trans | -62.6 | 111.2 | -179.2 | -24.9 | 35.3 | 0 | 0 | 0 | 112.8 | Y467 S505 | Y467-P507 HydrophobicContact CD1-CG 3.6Å; Y467-P507 HydrophobicContact CE1-CG 3.83Å; Y467-P507 HydrophobicContact CG-CG 4.19Å; S505-P507 WeakPolarHBondContact O-CD 3.39Å | ||
| 508 | L | 86.4 | Confident | 88.2 | Confident | 136 Ų | 136 | 97 Ų | 97 | 71% | 0.712 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 151.9 | 173.6 | -62.2 | 179.6 | 0 | 0 | 0 | 111.3 | R506 M510 | R506-L508 PolarHBondContact O-N 3.1Å; L508-M510 PolarHBondContact O-N 3.4Å |
| 509 | P | 88.1 | Confident | 87.3 | Confident | 125 Ų | 125 | 100.4 Ų | 100.4 | 81% | 0.812 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -60 | 128.9 | 169.1 | -21.2 | 33.3 | 0 | 0 | 0 | 110.9 | G511 | P509-G511 PolarHBondContact O-N 3.14Š|
| 510 | M | 89.5 | Confident | 86.6 | Confident | 192 Ų | 192 | 100.7 Ų | 100.7 | 95% | 0.946 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 125.6 | 177.4 | -66.2 | -61.3 | -65.8 | 0 | 0 | 110.7 | L508 | L508-M510 PolarHBondContact O-N 3.4Š|
| 511 | G | 86.4 | Confident | 85.8 | Confident | 57 Ų | 57 | 106.3 Ų | 106.3 | 59% | 0.588 | 61% | 0.613 | S | S | * | * | trans | -159.3 | -179.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | P509 | P509-G511 PolarHBondContact O-N 3.14Š| ||
| 512 | P | 90.2 | Very high | 84.8 | Confident | 119 Ų | 119 | 109.5 Ų | 109.5 | 77% | 0.773 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 154.5 | 172.4 | 29.6 | -35.2 | 0 | 0 | 0 | 111 | ||
| 513 | P | 86.9 | Confident | 83.5 | Confident | 108 Ų | 108 | 112.3 Ų | 112.3 | 70% | 0.701 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 144 | 173.2 | 27.3 | -34.8 | 0 | 0 | 0 | 110.5 | T515 | P513-T515 PolarHBondContact O-N 3.44Š|
| 514 | P | 84.2 | Confident | 82.4 | Confident | 100 Ų | 100 | 111.4 Ų | 111.4 | 65% | 0.649 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 129.5 | -177.8 | 28.5 | -34.6 | 0 | 0 | 0 | 111.1 | P516 H517 | P514-P516 WeakPolarHBondContact O-CD 3.19Å; P514-H517 PolarHBondContact O-CE1 3.04Å; P514-H517 PolarHBondContact O-ND1 2.94Å |
| 515 | T | 88.9 | Confident | 81 | Confident | 77 Ų | 77 | 106.5 Ų | 106.5 | 47% | 0.472 | 63% | 0.626 | S | S | . | * | trans | -102.8 | 19.8 | -177.5 | 55.6 | 0 | 0 | 0 | 0 | 117 | P513 H517 F518 | P513-T515 PolarHBondContact O-N 3.44Å; T515-H517 PolarHBondContact O-N 2.87Å; T515-F518 HydrophobicContact CG2-CD2 3.91Å; T515-F518 HydrophobicContact CG2-CE2 3.44Å; T515-F518 VanDerWaalsContact CG2-CE2 3.44Å; T515-F518 HydrophobicContact CG2-CZ 3.98Å; T515-F518 PolarHBondContact O-N 3.17Å; T515-F518 VanDerWaalsContact O-N 3.12Å | ||
| 516 | P | 77.9 | Confident | 79.6 | Confident | 104 Ų | 104 | 109.2 Ų | 109.2 | 68% | 0.675 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -6.2 | -176 | 34.7 | -38 | 0 | 0 | 0 | 113.7 | P514 | P514-P516 WeakPolarHBondContact O-CD 3.19Š|
| 517 | H | 76.1 | Confident | 78 | Confident | 127 Ų | 127 | 108.7 Ų | 108.7 | 59% | 0.588 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -2.7 | 175.5 | 62 | -91.2 | 0 | 0 | 0 | 113 | P514 T515 | P514-H517 PolarHBondContact O-CE1 3.04Å; P514-H517 PolarHBondContact O-ND1 2.94Å; T515-H517 PolarHBondContact O-N 2.87Å |
| 518 | F | 82.1 | Confident | 76.4 | Confident | 122 Ų | 122 | 110.9 Ų | 110.9 | 54% | 0.535 | 67% | 0.674 | S | S | . | * | S | Bend | trans | -79.7 | 135.7 | 172.2 | -66.4 | -13.9 | 0 | 0 | 0 | 110.3 | T515 V520 | T515-F518 HydrophobicContact CG2-CD2 3.91Å; T515-F518 HydrophobicContact CG2-CE2 3.44Å; T515-F518 VanDerWaalsContact CG2-CE2 3.44Å; T515-F518 HydrophobicContact CG2-CZ 3.98Å; T515-F518 PolarHBondContact O-N 3.17Å; T515-F518 VanDerWaalsContact O-N 3.12Å; F518-V520 PolarHBondContact O-N 3.06Å |
| 519 | N | 77.9 | Confident | 74.9 | Confident | 71 Ų | 71 | 107.1 Ų | 107.1 | 38% | 0.38 | 66% | 0.663 | S | S | . | * | trans | -69.1 | 114 | 171.2 | -64.6 | -44.9 | 0 | 0 | 0 | 109 | L521 Q615 | N519-L521 PolarHBondContact O-N 3.18Å; N519-Q615 PolarHBondContact ND2-NE2 3.5Å; N519-Q615 PolarHBondContact OD1-N 2.85Å | ||
| 520 | V | 80.6 | Confident | 73.1 | Confident | 116 Ų | 116 | 106.4 Ų | 106.4 | 70% | 0.703 | 66% | 0.658 | S | S | * | * | trans | -90.2 | 98 | -176.7 | -178.7 | 0 | 0 | 0 | 0 | 109.3 | F518 A522 | F518-V520 PolarHBondContact O-N 3.06Å; V520-A522 PolarHBondContact O-N 3.32Å | ||
| 521 | L | 76.5 | Confident | 71.2 | Confident | 152 Ų | 152 | 103.9 Ų | 103.9 | 80% | 0.796 | 65% | 0.648 | S | S | * | * | trans | -70.6 | 125.1 | 175 | -60.9 | 179.1 | 0 | 0 | 0 | 110.5 | N519 D523 | N519-L521 PolarHBondContact O-N 3.18Å; L521-D523 PolarHBondContact O-N 3.3Å | ||
| 522 | A | 73.8 | Confident | 69.2 | Low | 80 Ų | 80 | 109 Ų | 109 | 66% | 0.661 | 66% | 0.656 | S | S | * | * | trans | -80 | 103 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | V520 T524 | V520-A522 PolarHBondContact O-N 3.32Å; A522-T524 VanDerWaalsContact C-N 3.28Å; A522-T524 PolarHBondContact O-N 3.01Å; A522-T524 PolarHBondContact O-OG1 3.06Å | ||
| 523 | D | 63.2 | Low | 66.9 | Low | 161 Ų | 161 | 109.1 Ų | 109.1 | 86% | 0.861 | 65% | 0.646 | S | S | * | * | trans | -63.7 | 91.5 | 168 | -174.2 | 16.2 | 0 | 0 | 0 | 109.4 | L521 P525 | L521-D523 PolarHBondContact O-N 3.3Å; D523-P525 WeakPolarHBondContact O-CD 3.32Å | ||
| 524 | T | 64.7 | Low | 64.4 | Low | 68 Ų | 68 | 112.7 Ų | 112.7 | 42% | 0.417 | 65% | 0.65 | S | S | . | * | trans | -101 | 107 | -172.3 | -56.5 | 0 | 0 | 0 | 0 | 107.4 | A522 S526 L528 | A522-T524 VanDerWaalsContact C-N 3.28Å; A522-T524 PolarHBondContact O-N 3.01Å; A522-T524 PolarHBondContact O-OG1 3.06Å; T524-S526 PolarHBondContact O-N 3.15Å; T524-L528 HydrophobicContact CG2-CB 3.93Å | ||
| 525 | P | 57.8 | Low | 62.1 | Low | 85 Ų | 85 | 113.4 Ų | 113.4 | 55% | 0.552 | 66% | 0.655 | S | S | * | * | trans | -59 | 128.2 | 176.1 | 24.7 | -33.4 | 0 | 0 | 0 | 108.5 | D523 G527 L528 | D523-P525 WeakPolarHBondContact O-CD 3.32Å; P525-G527 PolarHBondContact O-N 3.33Å; P525-L528 HydrophobicContact CG-CD1 4.02Å; P525-L528 HydrophobicContact CG-CG 4.47Å; P525-L528 PolarHBondContact O-N 3.21Å | ||
| 526 | S | 58.9 | Low | 59.6 | Low | 114 Ų | 114 | 117.5 Ų | 117.5 | 80% | 0.797 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -13.8 | -154.2 | -42.4 | 0 | 0 | 0 | 0 | 116.3 | T524 L528 | T524-S526 PolarHBondContact O-N 3.15Å; S526-L528 VanDerWaalsContact C-N 3.34Å |
| 527 | G | 58.9 | Low | 57.7 | Low | 81 Ų | 81 | 121.3 Ų | 121.3 | 84% | 0.835 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -0.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | P525 | P525-G527 PolarHBondContact O-N 3.33Š|
| 528 | L | 55.5 | Low | 55.7 | Low | 134 Ų | 134 | 119.4 Ų | 119.4 | 70% | 0.702 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -97.5 | -14.9 | 172.7 | -71.8 | 179.2 | 0 | 0 | 0 | 113.8 | T524 P525 S526 | T524-L528 HydrophobicContact CG2-CB 3.93Å; P525-L528 HydrophobicContact CG-CD1 4.02Å; P525-L528 HydrophobicContact CG-CG 4.47Å; P525-L528 PolarHBondContact O-N 3.21Å; S526-L528 VanDerWaalsContact C-N 3.34Å |
| 529 | A | 54.5 | Low | 53.3 | Low | 57 Ų | 57 | 116.8 Ų | 116.8 | 47% | 0.471 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -77.8 | 125.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 530 | P | 49.6 | Very low | 51.3 | Low | 110 Ų | 110 | 117.7 Ų | 117.7 | 71% | 0.714 | 69% | 0.694 | S | S | * | * | trans | -60.2 | 141.5 | 167.8 | -19.3 | 31.9 | 0 | 0 | 0 | 109.6 | Q532 | P530-Q532 PolarHBondContact O-N 3.32Š| ||
| 531 | L | 50.6 | Low | 49.3 | Very low | 139 Ų | 139 | 116 Ų | 116 | 73% | 0.728 | 69% | 0.687 | S | S | * | * | trans | -63.1 | 102.3 | 169 | -81.9 | 88.4 | 0 | 0 | 0 | 108.6 | H533 | L531-H533 VanDerWaalsContact C-N 3.33Å; L531-H533 PolarHBondContact O-N 3.26Å | ||
| 532 | Q | 44.1 | Very low | 47.5 | Very low | 165 Ų | 165 | 114.9 Ų | 114.9 | 77% | 0.771 | 68% | 0.677 | S | S | * | * | trans | -74.6 | 88.5 | 173.2 | -71.8 | -173.3 | -22.8 | 0 | 0 | 108.9 | P530 K534 | P530-Q532 PolarHBondContact O-N 3.32Å; Q532-K534 PolarHBondContact O-N 3.22Å | ||
| 533 | H | 42.1 | Very low | 45.9 | Very low | 120 Ų | 120 | 119.1 Ų | 119.1 | 56% | 0.556 | 68% | 0.683 | S | S | * | * | trans | -55.2 | 98.5 | 151.8 | -65.8 | -55 | 0 | 0 | 0 | 107.1 | L531 P535 | L531-H533 VanDerWaalsContact C-N 3.33Å; L531-H533 PolarHBondContact O-N 3.26Å; H533-P535 WeakPolarHBondContact O-CD 3.49Å; H533-P535 VanDerWaalsContact O-N 3.16Å | ||
| 534 | K | 34.6 | Very low | 44.5 | Very low | 183 Ų | 183 | 118.7 Ų | 118.7 | 80% | 0.796 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 118 | 173.5 | -75.5 | -172 | 176.3 | -175.9 | 0 | 107.2 | Q532 L536 | Q532-K534 PolarHBondContact O-N 3.22Å; K534-L536 PolarHBondContact O-N 3.2Å |
| 535 | P | 35.7 | Very low | 43.1 | Very low | 116 Ų | 116 | 122.4 Ų | 122.4 | 75% | 0.753 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 137.6 | 161.8 | -15.4 | 30.5 | 0 | 0 | 0 | 106.8 | H533 Q537 | H533-P535 WeakPolarHBondContact O-CD 3.49Å; H533-P535 VanDerWaalsContact O-N 3.16Å; P535-Q537 PolarHBondContact O-N 2.78Å |
| 536 | L | 36.3 | Very low | 41.8 | Very low | 162 Ų | 162 | 126 Ų | 126 | 85% | 0.848 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 120.8 | 166.1 | -81.6 | 165.2 | 0 | 0 | 0 | 107.1 | K534 V538 | K534-L536 PolarHBondContact O-N 3.2Å; L536-V538 WeakPolarHBondContact O-CG2 3.48Å; L536-V538 PolarHBondContact O-N 3.26Å |
| 537 | Q | 37.5 | Very low | 40.5 | Very low | 184 Ų | 184 | 129.6 Ų | 129.6 | 86% | 0.86 | 71% | 0.711 | S | S | * | * | trans | -73.5 | 79.5 | -179.5 | -167.2 | -177.5 | 26.2 | 0 | 0 | 108.3 | P535 S539 | P535-Q537 PolarHBondContact O-N 2.78Å; Q537-S539 PolarHBondContact O-N 3.37Å | ||
| 538 | V | 34 | Very low | 39.3 | Very low | 87 Ų | 87 | 131.7 Ų | 131.7 | 53% | 0.527 | 71% | 0.71 | S | S | . | * | trans | -58.6 | 113.5 | 179.6 | -175.9 | 0 | 0 | 0 | 0 | 107.4 | L536 A540 Q542 | L536-V538 WeakPolarHBondContact O-CG2 3.48Å; L536-V538 PolarHBondContact O-N 3.26Å; V538-A540 PolarHBondContact O-N 3.19Å; V538-Q542 HydrophobicContact CG1-CB 4.02Å | ||
| 539 | S | 32.4 | Very low | 38.4 | Very low | 67 Ų | 67 | 132.5 Ų | 132.5 | 47% | 0.469 | 71% | 0.71 | S | S | . | * | trans | -58.9 | 130.6 | 175.5 | -179.4 | 0 | 0 | 0 | 0 | 108.2 | Q537 S541 Q542 | Q537-S539 PolarHBondContact O-N 3.37Å; S539-S541 PolarHBondContact O-N 2.97Å; S539-S541 PolarHBondContact OG-OG 3.36Å; S539-Q542 PolarHBondContact O-N 3.33Å | ||
| 540 | A | 36.5 | Very low | 37.4 | Very low | 91 Ų | 91 | 137.7 Ų | 137.7 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -54.7 | -19.3 | -177 | 0 | 0 | 0 | 0 | 0 | 113.8 | V538 Q542 | V538-A540 PolarHBondContact O-N 3.19Å; A540-Q542 VanDerWaalsContact C-N 3.31Å; A540-Q542 PolarHBondContact O-N 3.09Å |
| 541 | S | 38.7 | Very low | 36.4 | Very low | 79 Ų | 79 | 138.2 Ų | 138.2 | 55% | 0.552 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -65.3 | -21.7 | 171.9 | 60 | 0 | 0 | 0 | 0 | 115.4 | S539 | S539-S541 PolarHBondContact O-N 2.97Å; S539-S541 PolarHBondContact OG-OG 3.36Å |
| 542 | Q | 38.3 | Very low | 35.9 | Very low | 129 Ų | 129 | 143 Ų | 143 | 60% | 0.603 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -80.1 | -19.3 | -176.8 | -69.6 | -175.7 | -68.4 | 0 | 0 | 113.9 | V538 S539 A540 M544 | V538-Q542 HydrophobicContact CG1-CB 4.02Å; S539-Q542 PolarHBondContact O-N 3.33Å; A540-Q542 VanDerWaalsContact C-N 3.31Å; A540-Q542 PolarHBondContact O-N 3.09Å; Q542-M544 PolarHBondContact O-N 3.29Å; Q542-M544 VanDerWaalsContact O-N 3.07Å |
| 543 | H | 39.1 | Very low | 35.2 | Very low | 169 Ų | 169 | 144.4 Ų | 144.4 | 78% | 0.782 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -71.7 | 4.1 | 177.2 | -103 | -82.8 | 0 | 0 | 0 | 114.7 | ||
| 544 | M | 34.1 | Very low | 34.7 | Very low | 152 Ų | 152 | 148 Ų | 148 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -115.3 | 11 | -176.4 | -72.1 | -157.4 | 70.6 | 0 | 0 | 115.5 | Q542 | Q542-M544 PolarHBondContact O-N 3.29Å; Q542-M544 VanDerWaalsContact O-N 3.07Å |
| 545 | L | 36.8 | Very low | 35 | Very low | 146 Ų | 146 | 145.3 Ų | 145.3 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -120.3 | 57.9 | -173.8 | -69.9 | 177.3 | 0 | 0 | 0 | 115.3 | ||
| 546 | N | 28.6 | Very low | 34.6 | Very low | 162 Ų | 162 | 144.8 Ų | 144.8 | 87% | 0.866 | 76% | 0.757 | S | S | * | * | trans | -171.4 | 102.8 | 134.5 | -101.9 | -25.1 | 0 | 0 | 0 | 112.1 | ||||
| 547 | F | 32.2 | Very low | 34.3 | Very low | 189 Ų | 189 | 144.7 Ų | 144.7 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | trans | -107.2 | 137 | 157.7 | -85.9 | -87.2 | 0 | 0 | 0 | 108.7 | ||||
| 548 | P | 34.8 | Very low | 34.4 | Very low | 125 Ų | 125 | 146.1 Ų | 146.1 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | trans | -64 | 146.6 | 175.7 | 27.2 | -33.9 | 0 | 0 | 0 | 111.4 | ||||
| 549 | E | 35.3 | Very low | 34.7 | Very low | 150 Ų | 150 | 150.7 Ų | 150.7 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | -77.1 | 145.4 | -165.7 | -153.7 | -147.5 | 137.9 | 0 | 0 | 113.8 | ||||
| 550 | K | 33.8 | Very low | 34.9 | Very low | 166 Ų | 166 | 154.8 Ų | 154.8 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | 83.2 | 140.4 | 171.8 | -55.7 | 157 | -178.6 | 107.9 | 0 | 114.2 | ||||
| 551 | S | 28.8 | Very low | 34.9 | Very low | 121 Ų | 121 | 160.1 Ų | 160.1 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | cis | -135.1 | 169.2 | 23 | 57.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 552 | R | 39.9 | Very low | 34.7 | Very low | 240 Ų | 240 | 159.2 Ų | 159.2 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | trans | -76.2 | 142.4 | -175.4 | -69 | 169.3 | 163.5 | 169.8 | -6.1 | 112.4 | ||||
| 553 | E | 29.4 | Very low | 34.9 | Very low | 194 Ų | 194 | 161.5 Ų | 161.5 | 91% | 0.907 | 81% | 0.814 | S | S | * | * | -151.6 | -164.1 | 117.4 | -120.5 | 172.4 | -161.7 | 0 | 0 | 113.2 | |||||
| 554 | K | 32.1 | Very low | 35 | Very low | 196 Ų | 196 | 162.5 Ų | 162.5 | 85% | 0.852 | 81% | 0.811 | S | S | * | * | trans | -95.4 | 158.3 | -149.5 | -81.2 | 179.7 | -178.9 | 174.3 | 0 | 116.4 | ||||
| 555 | P | 40.8 | Very low | 35.6 | Very low | 127 Ų | 127 | 160.5 Ų | 160.5 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -90.4 | 161.9 | -169.3 | 36.9 | -37.6 | 0 | 0 | 0 | 114.6 | ||||
| 556 | S | 27.5 | Very low | 35.9 | Very low | 104 Ų | 104 | 159.5 Ų | 159.5 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -144.5 | 118.4 | 167.4 | 56.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 557 | D | 30.6 | Very low | 36.9 | Very low | 161 Ų | 161 | 154.7 Ų | 154.7 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | trans | 57.2 | 76.7 | 149.8 | -52.7 | -21.5 | 0 | 0 | 0 | 120.4 | Q559 | D557-Q559 PolarHBondContact O-N 3.15Š| ||
| 558 | Y | 38.5 | Very low | 37.6 | Very low | 213 Ų | 213 | 152 Ų | 152 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | trans | -74 | 97.8 | 152.3 | -85 | -95.3 | 0 | 0 | 0 | 111.2 | F561 | Y558-F561 HydrophobicContact CE1-CE2 4.41Š| ||
| 559 | Q | 40.3 | Very low | 38.2 | Very low | 183 Ų | 183 | 149.6 Ų | 149.6 | 86% | 0.855 | 75% | 0.753 | S | S | * | * | trans | -144.1 | 87.6 | 153.7 | -77.9 | -155 | 2.7 | 0 | 0 | 111.7 | D557 | D557-Q559 PolarHBondContact O-N 3.15Š| ||
| 560 | N | 37.9 | Very low | 38.5 | Very low | 154 Ų | 154 | 151.5 Ų | 151.5 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | trans | -173.2 | 70 | 150.5 | -103 | -57.8 | 0 | 0 | 0 | 110.3 | ||||
| 561 | F | 35 | Very low | 38.9 | Very low | 202 Ų | 202 | 153 Ų | 153 | 89% | 0.886 | 76% | 0.76 | S | S | * | * | trans | -114.9 | 90.2 | 163.2 | -96.4 | -85.6 | 0 | 0 | 0 | 108.8 | Y558 | Y558-F561 HydrophobicContact CE1-CE2 4.41Š| ||
| 562 | G | 34.8 | Very low | 39.5 | Very low | 60 Ų | 60 | 154.2 Ų | 154.2 | 62% | 0.619 | 75% | 0.752 | S | S | * | * | trans | -136.5 | 132.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108 | R564 | G562-R564 PolarHBondContact O-N 2.97Å; G562-R564 VanDerWaalsContact O-N 3.14Å | ||
| 563 | L | 42.2 | Very low | 39.5 | Very low | 177 Ų | 177 | 148 Ų | 148 | 93% | 0.927 | 74% | 0.743 | S | S | * | * | trans | -62 | 114.9 | 177.2 | -120.5 | 69.8 | 0 | 0 | 0 | 108.9 | T565 | L563-T565 PolarHBondContact O-N 2.86Å; L563-T565 VanDerWaalsContact O-N 3.13Å | ||
| 564 | R | 40.8 | Very low | 39.9 | Very low | 190 Ų | 190 | 148.1 Ų | 148.1 | 72% | 0.717 | 74% | 0.741 | S | S | * | * | trans | -80.1 | 92 | 173.8 | -77.8 | -175 | 172.8 | 173.3 | -1.3 | 109.4 | G562 D566 I567 | G562-R564 PolarHBondContact O-N 2.97Å; G562-R564 VanDerWaalsContact O-N 3.14Å; R564-D566 PolarHBondContact O-N 3.41Å; R564-D566 VanDerWaalsContact O-N 3.13Å; R564-I567 HydrophobicContact CB-CD1 3.92Å; R564-I567 HydrophobicContact CB-CG1 3.93Å; R564-I567 WeakPolarHBondContact O-CG1 3.2Å; R564-I567 PolarHBondContact O-N 3.14Å | ||
| 565 | T | 46.7 | Very low | 40.2 | Very low | 111 Ų | 111 | 145 Ų | 145 | 68% | 0.681 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -49.7 | -32.7 | 170.1 | 45 | 0 | 0 | 0 | 0 | 112.7 | L563 I567 | L563-T565 PolarHBondContact O-N 2.86Å; L563-T565 VanDerWaalsContact O-N 3.13Å; T565-I567 PolarHBondContact O-N 3.28Å; T565-I567 VanDerWaalsContact O-N 3.15Å |
| 566 | D | 44.5 | Very low | 40 | Very low | 125 Ų | 125 | 149 Ų | 149 | 67% | 0.668 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -71.4 | -6.1 | -173.8 | -51.4 | -18.1 | 0 | 0 | 0 | 114.8 | R564 Y568 A569 | R564-D566 PolarHBondContact O-N 3.41Å; R564-D566 VanDerWaalsContact O-N 3.13Å; D566-Y568 VanDerWaalsContact C-N 3.31Å; D566-Y568 PolarHBondContact O-N 2.73Å; D566-A569 WeakPolarHBondContact O-CB 3.4Å; D566-A569 PolarHBondContact O-N 2.97Å |
| 567 | I | 48.9 | Very low | 40.4 | Very low | 60 Ų | 60 | 147 Ų | 147 | 31% | 0.308 | 74% | 0.739 | S | S | . | * | G | 310 helix | trans | -61.4 | -41.2 | -179.6 | -69.7 | 171.6 | 0 | 0 | 0 | 111 | R564 T565 A569 P630 | R564-I567 HydrophobicContact CB-CD1 3.92Å; R564-I567 HydrophobicContact CB-CG1 3.93Å; R564-I567 WeakPolarHBondContact O-CG1 3.2Å; R564-I567 PolarHBondContact O-N 3.14Å; T565-I567 PolarHBondContact O-N 3.28Å; T565-I567 VanDerWaalsContact O-N 3.15Å; I567-A569 PolarHBondContact O-N 2.86Å; I567-P630 HydrophobicContact CG2-CG 4.43Å |
| 568 | Y | 47.6 | Very low | 40.6 | Very low | 132 Ų | 132 | 144.3 Ų | 144.3 | 52% | 0.518 | 74% | 0.739 | S | S | . | * | G | 310 helix | trans | -73.5 | -9.7 | -178.4 | -56.8 | -73.2 | 0 | 0 | 0 | 113.9 | D566 R570 | D566-Y568 VanDerWaalsContact C-N 3.31Å; D566-Y568 PolarHBondContact O-N 2.73Å; Y568-R570 PolarHBondContact O-N 2.98Å |
| 569 | A | 46.1 | Very low | 40.5 | Very low | 76 Ų | 76 | 141.6 Ų | 141.6 | 63% | 0.628 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -77.5 | -2.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D566 I567 K571 | D566-A569 WeakPolarHBondContact O-CB 3.4Å; D566-A569 PolarHBondContact O-N 2.97Å; I567-A569 PolarHBondContact O-N 2.86Å; A569-K571 PolarHBondContact O-N 3.1Å |
| 570 | R | 41.5 | Very low | 40.5 | Very low | 189 Ų | 189 | 138.2 Ų | 138.2 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -74.2 | 86.4 | 175.5 | -86.6 | -167.4 | 170.5 | -165.6 | 2.2 | 111.8 | Y568 H572 E633 | Y568-R570 PolarHBondContact O-N 2.98Å; R570-H572 PolarHBondContact O-N 3.22Å; R570-E633 IonicContact NH1-OE2 4Å; R570-E633 PolarHBondContact NH1-OE2 3.03Å |
| 571 | K | 43.1 | Very low | 41.2 | Very low | 198 Ų | 198 | 133.5 Ų | 133.5 | 86% | 0.861 | 73% | 0.729 | S | S | * | * | trans | -19.2 | 114.7 | 169.2 | -65.4 | 174 | 180 | 173.5 | 0 | 114.8 | A569 | A569-K571 PolarHBondContact O-N 3.1Š| ||
| 572 | H | 41.8 | Very low | 42.8 | Very low | 146 Ų | 146 | 131 Ų | 131 | 68% | 0.676 | 71% | 0.714 | S | S | * | * | trans | -51.5 | 137.2 | 173.2 | -54.1 | -80.4 | 0 | 0 | 0 | 112.7 | R570 K574 | R570-H572 PolarHBondContact O-N 3.22Å; H572-K574 PolarHBondContact O-N 3.48Å | ||
| 573 | P | 40.3 | Very low | 44.9 | Very low | 110 Ų | 110 | 136.3 Ų | 136.3 | 71% | 0.714 | 72% | 0.723 | S | S | * | * | trans | -64.4 | 128.8 | 162.1 | 28.6 | -32.5 | 0 | 0 | 0 | 108.8 | T575 | P573-T575 VanDerWaalsContact C-N 3.34Å; P573-T575 PolarHBondContact O-N 3.18Å | ||
| 574 | K | 37.3 | Very low | 46.9 | Very low | 197 Ų | 197 | 130.7 Ų | 130.7 | 86% | 0.857 | 69% | 0.689 | S | S | * | * | trans | -71.4 | 82.7 | -174.2 | -68.6 | -166 | 174.4 | -162.6 | 0 | 112.6 | H572 K576 | H572-K574 PolarHBondContact O-N 3.48Å; K574-K576 PolarHBondContact O-N 3.2Å; K574-K576 VanDerWaalsContact O-N 3.11Å | ||
| 575 | T | 38.2 | Very low | 49.2 | Very low | 131 Ų | 131 | 124.2 Ų | 124.2 | 80% | 0.804 | 67% | 0.671 | S | S | * | * | trans | -63.4 | 104.9 | 165.3 | 41.1 | 0 | 0 | 0 | 0 | 109.3 | P573 G577 | P573-T575 VanDerWaalsContact C-N 3.34Å; P573-T575 PolarHBondContact O-N 3.18Å; T575-G577 PolarHBondContact O-N 2.68Å | ||
| 576 | K | 37.1 | Very low | 51 | Low | 209 Ų | 209 | 127 Ų | 127 | 91% | 0.909 | 68% | 0.676 | S | S | * | * | trans | -74.9 | 61.6 | 175.6 | -72.5 | -174.6 | 174.1 | -178.5 | 0 | 111.6 | K574 | K574-K576 PolarHBondContact O-N 3.2Å; K574-K576 VanDerWaalsContact O-N 3.11Å | ||
| 577 | G | 34.4 | Very low | 53.1 | Low | 64 Ų | 64 | 126.7 Ų | 126.7 | 66% | 0.66 | 67% | 0.671 | S | S | * | * | trans | -76.3 | 117.5 | 166 | 0 | 0 | 0 | 0 | 0 | 109.7 | T575 N579 | T575-G577 PolarHBondContact O-N 2.68Å; G577-N579 VanDerWaalsContact C-N 3.33Å; G577-N579 PolarHBondContact O-N 3.33Å | ||
| 578 | A | 36.2 | Very low | 55.1 | Low | 103 Ų | 103 | 124.4 Ų | 124.4 | 85% | 0.851 | 66% | 0.659 | S | S | * | * | trans | -82.5 | 74.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 579 | N | 36 | Very low | 57.1 | Low | 157 Ų | 157 | 119.3 Ų | 119.3 | 84% | 0.84 | 64% | 0.641 | S | S | * | * | trans | -141.8 | 107.7 | 161.8 | -105.1 | -3.5 | 0 | 0 | 0 | 108.6 | G577 G581 | G577-N579 VanDerWaalsContact C-N 3.33Å; G577-N579 PolarHBondContact O-N 3.33Å; N579-G581 PolarHBondContact O-N 2.86Å | ||
| 580 | A | 40.6 | Very low | 59.2 | Low | 112 Ų | 112 | 120.6 Ų | 120.6 | 93% | 0.926 | 64% | 0.637 | S | S | * | * | trans | -85.7 | 71.6 | -168.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 581 | G | 51.7 | Low | 61.6 | Low | 54 Ų | 54 | 113.7 Ų | 113.7 | 56% | 0.557 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 154.5 | 155.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | N579 E583 | N579-G581 PolarHBondContact O-N 2.86Å; G581-E583 PolarHBondContact O-N 3.44Å |
| 582 | R | 68.1 | Low | 63.9 | Low | 149 Ų | 149 | 104.2 Ų | 104.2 | 56% | 0.562 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 127.6 | 173 | 175.7 | 169.2 | 164.1 | -92.3 | -9.2 | 109 | E588 R613 | R582-E588 IonicContact CZ-OE1 2.6Å; R582-E588 IonicContact NH1-OE1 2.72Å; R582-E588 PolarHBondContact NH1-OE1 3.39Å; R582-E588 IonicContact NH1-OE2 3.62Å; R582-E588 IonicContact NH2-OE1 2.6Å; R582-E588 PolarHBondContact NH2-OE1 2.96Å; R582-R613 PolarHBondContact O-NH1 3.37Å; R582-R613 PolarHBondContact O-NH2 2.92Å |
| 583 | E | 80.7 | Confident | 66.2 | Low | 173 Ų | 173 | 100 Ų | 100 | 81% | 0.808 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 143.7 | 178.4 | -68 | -175.5 | 158.5 | 0 | 0 | 110.7 | G581 R613 | G581-E583 PolarHBondContact O-N 3.44Å; E583-R613 PolarHBondContact O-NH2 2.89Å |
| 584 | W | 84.3 | Confident | 68.7 | Low | 58 Ų | 58 | 99.7 Ų | 99.7 | 22% | 0.22 | 54% | 0.544 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 134.3 | -178.9 | -85.9 | 77.5 | 0 | 0 | 0 | 111 | E588 L592 V610 R613 E617 H621 | W584-E588 HydrophobicContact CE3-CB 3.64Å; W584-E588 HydrophobicContact CZ3-CB 3.91Å; W584-L592 HydrophobicContact CH2-CD2 3.95Å; W584-L592 HydrophobicContact CZ3-CB 4.14Å; W584-L592 HydrophobicContact CZ3-CD2 3.98Å; W584-V610 HydrophobicContact CH2-CG1 4.34Å; W584-V610 HydrophobicContact CZ3-CG1 4.34Å; W584-R613 HydrophobicContact CH2-CB 4.08Å; W584-R613 HydrophobicContact CH2-CG 3.64Å; W584-R613 HydrophobicContact CZ2-CB 4.11Å; W584-R613 HydrophobicContact CZ2-CG 3.67Å; W584-R613 HydrophobicContact CZ3-CG 4.14Å; W584-E617 HydrophobicContact CZ2-CB 4.1Å; W584-E617 WeakPolarHBondContact CZ2-O 3.21Å; W584-H621 AromaticContact CD1-CG 3.97Å; W584-H621 AromaticContact CD1-ND1 3.83Å; W584-H621 HydrophobicContact CD2-CB 4Å; W584-H621 AromaticContact CD2-CD2 3.26Å; W584-H621 AromaticContact CD2-CG 3.51Å; W584-H621 AromaticContact CD2-ND1 3.98Å; W584-H621 AromaticContact CD2-NE2 3.6Å; W584-H621 VanDerWaalsContact CE2-CB 3.5Å; W584-H621 AromaticContact CE2-CD2 3.73Å; W584-H621 AromaticContact CE2-CG 3.57Å; W584-H621 AromaticContact CE3-CD2 3.21Å; W584-H621 AromaticContact CE3-CG 3.94Å; W584-H621 AromaticContact CE3-NE2 3.58Å; W584-H621 HydrophobicContact CG-CB 4.49Å; W584-H621 AromaticContact CG-CD2 3.77Å; W584-H621 AromaticContact CG-CE1 3.66Å; W584-H621 AromaticContact CG-CG 3.79Å; W584-H621 AromaticContact CG-ND1 3.73Å; W584-H621 AromaticContact CG-NE2 3.68Å; W584-H621 HydrophobicContact CH2-CB 4.14Å; W584-H621 HydrophobicContact CZ2-CB 3.59Å; W584-H621 AromaticContact CZ3-CD2 3.62Å; W584-H621 AromaticContact NE1-CG 3.85Å |
| 585 | T | 88.7 | Confident | 71.2 | Confident | 54 Ų | 54 | 90.3 Ų | 90.3 | 33% | 0.331 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -87.3 | 159.5 | 173.4 | 70.4 | 0 | 0 | 0 | 0 | 111.5 | Q587 E588 T589 | T585-Q587 VanDerWaalsContact C-N 3.28Å; T585-Q587 PolarHBondContact O-N 3.3Å; T585-E588 PolarHBondContact N-OE2 2.73Å; T585-E588 VanDerWaalsContact N-OE2 3.11Å; T585-E588 PolarHBondContact O-N 3.26Å; T585-E588 WeakPolarHBondContact OG1-CB 3.39Å; T585-E588 WeakPolarHBondContact OG1-CG 3.3Å; T585-E588 PolarHBondContact OG1-N 2.73Å; T585-E588 VanDerWaalsContact OG1-N 3.13Å; T585-E588 PolarHBondContact OG1-OE2 3.37Å; T585-T589 PolarHBondContact O-N 3.45Å; T585-T589 PolarHBondContact O-OG1 3.32Å |
| 586 | E | 84.9 | Confident | 73.7 | Confident | 169 Ų | 169 | 85.1 Ų | 85.1 | 79% | 0.79 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -59.5 | -40.4 | 173.7 | -66 | 174.3 | -175.3 | 0 | 0 | 111 | T589 L590 | E586-T589 PolarHBondContact O-N 3.45Å; E586-L590 WeakPolarHBondContact O-CG 3.15Å; E586-L590 PolarHBondContact O-N 2.96Å |
| 587 | Q | 88.5 | Confident | 76.2 | Confident | 119 Ų | 119 | 81.8 Ų | 81.8 | 56% | 0.556 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -64.8 | -42.2 | 176.7 | -175.1 | 61.3 | 51.5 | 0 | 0 | 112.7 | T585 T589 L590 L591 | T585-Q587 VanDerWaalsContact C-N 3.28Å; T585-Q587 PolarHBondContact O-N 3.3Å; Q587-T589 VanDerWaalsContact C-N 3.28Å; Q587-T589 PolarHBondContact O-N 3.07Å; Q587-L590 PolarHBondContact O-N 2.89Å; Q587-L591 HydrophobicContact CG-CD1 4.35Å; Q587-L591 WeakPolarHBondContact O-CG 3.22Å; Q587-L591 PolarHBondContact O-N 3.26Å |
| 588 | E | 89.7 | Confident | 78.9 | Confident | 12 Ų | 12 | 83 Ų | 83 | 6% | 0.056 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -64 | -36.7 | 174.5 | -72.6 | 160.7 | -167.7 | 0 | 0 | 111.2 | R582 W584 T585 L592 R613 | R582-E588 IonicContact CZ-OE1 2.6Å; R582-E588 IonicContact NH1-OE1 2.72Å; R582-E588 PolarHBondContact NH1-OE1 3.39Å; R582-E588 IonicContact NH1-OE2 3.62Å; R582-E588 IonicContact NH2-OE1 2.6Å; R582-E588 PolarHBondContact NH2-OE1 2.96Å; W584-E588 HydrophobicContact CE3-CB 3.64Å; W584-E588 HydrophobicContact CZ3-CB 3.91Å; T585-E588 PolarHBondContact N-OE2 2.73Å; T585-E588 VanDerWaalsContact N-OE2 3.11Å; T585-E588 PolarHBondContact O-N 3.26Å; T585-E588 WeakPolarHBondContact OG1-CB 3.39Å; T585-E588 WeakPolarHBondContact OG1-CG 3.3Å; T585-E588 PolarHBondContact OG1-N 2.73Å; T585-E588 VanDerWaalsContact OG1-N 3.13Å; T585-E588 PolarHBondContact OG1-OE2 3.37Å; E588-L592 WeakPolarHBondContact O-CB 3.31Å; E588-L592 PolarHBondContact O-N 3.02Å; E588-R613 IonicContact OE2-CZ 2.78Å; E588-R613 IonicContact OE2-NE 3.57Å; E588-R613 PolarHBondContact OE2-NE 2.91Å; E588-R613 IonicContact OE2-NH2 2.99Å; E588-R613 PolarHBondContact OE2-NH2 3.04Å |
| 589 | T | 89.1 | Confident | 81.4 | Confident | 25 Ų | 25 | 82.2 Ų | 82.2 | 15% | 0.153 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -70.6 | -36.5 | 177 | -52.5 | 0 | 0 | 0 | 0 | 112 | T585 E586 Q587 L592 L593 H621 L625 | T585-T589 PolarHBondContact O-N 3.45Å; T585-T589 PolarHBondContact O-OG1 3.32Å; E586-T589 PolarHBondContact O-N 3.45Å; Q587-T589 VanDerWaalsContact C-N 3.28Å; Q587-T589 PolarHBondContact O-N 3.07Å; T589-L592 PolarHBondContact O-N 3.4Å; T589-L593 HydrophobicContact CG2-CD1 4.5Å; T589-L593 WeakPolarHBondContact O-CG 3.23Å; T589-L593 PolarHBondContact O-N 3.11Å; T589-L593 VanDerWaalsContact O-N 3.08Å; T589-H621 PolarHBondContact OG1-NE2 2.66Å; T589-L625 HydrophobicContact CG2-CD2 4.08Å |
| 590 | L | 90.3 | Very high | 83.9 | Confident | 103 Ų | 103 | 82 Ų | 82 | 54% | 0.539 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67 | -45.3 | 173.3 | -72.7 | 172.8 | 0 | 0 | 0 | 111.9 | E586 Q587 L592 L593 E594 | E586-L590 WeakPolarHBondContact O-CG 3.15Å; E586-L590 PolarHBondContact O-N 2.96Å; Q587-L590 PolarHBondContact O-N 2.89Å; L590-L592 VanDerWaalsContact C-N 3.28Å; L590-L592 PolarHBondContact O-N 2.67Å; L590-L593 PolarHBondContact O-N 2.81Å; L590-L593 VanDerWaalsContact O-N 3.15Å; L590-E594 PolarHBondContact O-N 2.92Å |
| 591 | L | 91.6 | Very high | 86 | Confident | 44 Ų | 44 | 82.7 Ų | 82.7 | 23% | 0.23 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.8 | -35.8 | 174.8 | -71.6 | 168.9 | 0 | 0 | 0 | 111.9 | Q587 A595 H609 V610 | Q587-L591 HydrophobicContact CG-CD1 4.35Å; Q587-L591 WeakPolarHBondContact O-CG 3.22Å; Q587-L591 PolarHBondContact O-N 3.26Å; L591-A595 WeakPolarHBondContact O-CB 3.29Å; L591-A595 PolarHBondContact O-N 2.81Å; L591-H609 PolarHBondContact O-CD2 2.88Å; L591-V610 HydrophobicContact CB-CG2 4.3Å |
| 592 | L | 92.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 82.4 Ų | 82.4 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 173.1 | 176.9 | 62.7 | 0 | 0 | 0 | 111.5 | W584 E588 T589 L590 A595 L596 V606 V610 C618 H621 F622 | W584-L592 HydrophobicContact CH2-CD2 3.95Å; W584-L592 HydrophobicContact CZ3-CB 4.14Å; W584-L592 HydrophobicContact CZ3-CD2 3.98Å; E588-L592 WeakPolarHBondContact O-CB 3.31Å; E588-L592 PolarHBondContact O-N 3.02Å; T589-L592 PolarHBondContact O-N 3.4Å; L590-L592 VanDerWaalsContact C-N 3.28Å; L590-L592 PolarHBondContact O-N 2.67Å; L592-A595 PolarHBondContact O-N 3.07Å; L592-L596 HydrophobicContact CD1-CD1 3.98Å; L592-L596 HydrophobicContact CD1-CG 4.25Å; L592-L596 HydrophobicContact CG-CD1 3.94Å; L592-L596 WeakPolarHBondContact O-CB 3.45Å; L592-L596 WeakPolarHBondContact O-CD1 3.43Å; L592-L596 WeakPolarHBondContact O-CG 3.45Å; L592-L596 PolarHBondContact O-N 2.96Å; L592-V606 HydrophobicContact CD1-CG1 3.46Å; L592-V606 VanDerWaalsContact CD1-CG1 3.46Å; L592-V610 HydrophobicContact CB-CG2 3.98Å; L592-V610 HydrophobicContact CD1-CG2 4.33Å; L592-C618 HydrophobicContact CD1-CB 3.78Å; L592-H621 HydrophobicContact CD2-CB 4.18Å; L592-F622 HydrophobicContact CD2-CB 4.39Å |
| 593 | L | 90.6 | Very high | 88.8 | Confident | 56 Ų | 56 | 77.8 Ų | 77.8 | 29% | 0.293 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.1 | -41 | 179.7 | -70.3 | 169.8 | 0 | 0 | 0 | 112.5 | T589 L590 L596 E597 L625 | T589-L593 HydrophobicContact CG2-CD1 4.5Å; T589-L593 WeakPolarHBondContact O-CG 3.23Å; T589-L593 PolarHBondContact O-N 3.11Å; T589-L593 VanDerWaalsContact O-N 3.08Å; L590-L593 PolarHBondContact O-N 2.81Å; L590-L593 VanDerWaalsContact O-N 3.15Å; L593-L596 PolarHBondContact O-N 2.81Å; L593-E597 PolarHBondContact O-N 3.21Å; L593-L625 HydrophobicContact CD2-CD1 3.97Å |
| 594 | E | 91.9 | Very high | 89.1 | Confident | 105 Ų | 105 | 73.8 Ų | 73.8 | 49% | 0.491 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.3 | -47.6 | 172.6 | -177.5 | 173.3 | 173 | 0 | 0 | 110.9 | L590 L596 E597 V598 H609 | L590-E594 PolarHBondContact O-N 2.92Å; E594-L596 VanDerWaalsContact C-N 3.33Å; E594-L596 PolarHBondContact O-N 2.92Å; E594-E597 PolarHBondContact O-N 2.66Å; E594-V598 WeakPolarHBondContact O-CG2 3.39Å; E594-V598 PolarHBondContact O-N 3.35Å; E594-H609 IonicContact OE1-CE1 3.85Å |
| 595 | A | 90.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.4 | -37.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L591 L592 V598 Y599 V606 H609 | L591-A595 WeakPolarHBondContact O-CB 3.29Å; L591-A595 PolarHBondContact O-N 2.81Å; L592-A595 PolarHBondContact O-N 3.07Å; A595-V598 PolarHBondContact O-N 3.36Å; A595-Y599 HydrophobicContact CB-CD2 4.15Å; A595-Y599 WeakPolarHBondContact O-CA 3.29Å; A595-Y599 WeakPolarHBondContact O-CB 2.93Å; A595-Y599 VanDerWaalsContact O-CD2 3.31Å; A595-Y599 WeakPolarHBondContact O-CD2 3.31Å; A595-Y599 PolarHBondContact O-N 2.7Å; A595-V606 HydrophobicContact CB-CB 4.32Å; A595-V606 HydrophobicContact CB-CG1 4.03Å; A595-V606 HydrophobicContact CB-CG2 4.34Å; A595-H609 HydrophobicContact CB-CB 3.82Å |
| 596 | L | 90.4 | Very high | 89.5 | Confident | 21 Ų | 21 | 72.8 Ų | 72.8 | 11% | 0.11 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -70.8 | -32.4 | 175.6 | -73 | 167.8 | 0 | 0 | 0 | 112.6 | L592 L593 E594 R600 W603 V606 F622 | L592-L596 HydrophobicContact CD1-CD1 3.98Å; L592-L596 HydrophobicContact CD1-CG 4.25Å; L592-L596 HydrophobicContact CG-CD1 3.94Å; L592-L596 WeakPolarHBondContact O-CB 3.45Å; L592-L596 WeakPolarHBondContact O-CD1 3.43Å; L592-L596 WeakPolarHBondContact O-CG 3.45Å; L592-L596 PolarHBondContact O-N 2.96Å; L593-L596 PolarHBondContact O-N 2.81Å; E594-L596 VanDerWaalsContact C-N 3.33Å; E594-L596 PolarHBondContact O-N 2.92Å; L596-R600 WeakPolarHBondContact CD2-O 3.48Å; L596-R600 VanDerWaalsContact O-CA 3.31Å; L596-R600 WeakPolarHBondContact O-CA 3.45Å; L596-R600 WeakPolarHBondContact O-CD 3.3Å; L596-R600 PolarHBondContact O-N 3.09Å; L596-R600 VanDerWaalsContact O-N 3.11Å; L596-W603 HydrophobicContact CD2-CH2 3.68Å; L596-W603 HydrophobicContact CD2-CZ2 4.31Å; L596-W603 HydrophobicContact CD2-CZ3 3.84Å; L596-V606 HydrophobicContact CD2-CG1 4.38Å; L596-V606 HydrophobicContact CD2-CG2 4.13Å; L596-V606 HydrophobicContact CG-CG1 4.39Å; L596-F622 HydrophobicContact CD1-CB 4.27Å; L596-F622 HydrophobicContact CD1-CD2 3.36Å; L596-F622 HydrophobicContact CD1-CE2 3.8Å; L596-F622 HydrophobicContact CD1-CG 3.85Å |
| 597 | E | 90.3 | Very high | 89.8 | Confident | 140 Ų | 140 | 65.5 Ų | 65.5 | 65% | 0.654 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -67.7 | -40.9 | 173.3 | -176.4 | 166.3 | -162.2 | 0 | 0 | 111.8 | L593 E594 R600 | L593-E597 PolarHBondContact O-N 3.21Å; E594-E597 PolarHBondContact O-N 2.66Å; E597-R600 VanDerWaalsContact O-CZ 3.27Å; E597-R600 PolarHBondContact O-NE 2.82Å; E597-R600 PolarHBondContact O-NH2 3.42Å |
| 598 | V | 90.8 | Very high | 89.9 | Confident | 88 Ų | 88 | 67 Ų | 67 | 53% | 0.533 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -80.5 | -45.9 | -177.1 | 178.3 | 0 | 0 | 0 | 0 | 112.9 | E594 A595 | E594-V598 WeakPolarHBondContact O-CG2 3.39Å; E594-V598 PolarHBondContact O-N 3.35Å; A595-V598 PolarHBondContact O-N 3.36Å |
| 599 | Y | 88.7 | Confident | 89.9 | Confident | 88 Ų | 88 | 69.2 Ų | 69.2 | 35% | 0.345 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -108.5 | -8.6 | -170.2 | -53 | -64.4 | 0 | 0 | 0 | 114.9 | A595 D601 D602 K605 H609 | A595-Y599 HydrophobicContact CB-CD2 4.15Å; A595-Y599 WeakPolarHBondContact O-CA 3.29Å; A595-Y599 WeakPolarHBondContact O-CB 2.93Å; A595-Y599 VanDerWaalsContact O-CD2 3.31Å; A595-Y599 WeakPolarHBondContact O-CD2 3.31Å; A595-Y599 PolarHBondContact O-N 2.7Å; Y599-D601 PolarHBondContact O-N 3.34Å; Y599-D602 PolarHBondContact O-N 3.29Å; Y599-K605 HydrophobicContact CD1-CB 3.84Å; Y599-K605 HydrophobicContact CD1-CD 3.5Å; Y599-K605 VanDerWaalsContact CD1-CD 3.5Å; Y599-K605 HydrophobicContact CD1-CG 4.32Å; Y599-K605 HydrophobicContact CD2-CB 3.89Å; Y599-K605 HydrophobicContact CE1-CB 4.25Å; Y599-K605 HydrophobicContact CE1-CD 3.78Å; Y599-K605 HydrophobicContact CE2-CB 4.32Å; Y599-K605 HydrophobicContact CG-CB 3.64Å; Y599-K605 HydrophobicContact CG-CD 4.17Å; Y599-H609 HydrophobicContact CE2-CB 3.99Å; Y599-H609 AromaticContact CE2-ND1 3.82Å |
| 600 | R | 87.3 | Confident | 90 | Very high | 153 Ų | 153 | 68.3 Ų | 68.3 | 58% | 0.577 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | -117.3 | 179.8 | -52.5 | -68 | 162.3 | 169.1 | -7.2 | 111.4 | L596 E597 D602 | L596-R600 WeakPolarHBondContact CD2-O 3.48Å; L596-R600 VanDerWaalsContact O-CA 3.31Å; L596-R600 WeakPolarHBondContact O-CA 3.45Å; L596-R600 WeakPolarHBondContact O-CD 3.3Å; L596-R600 PolarHBondContact O-N 3.09Å; L596-R600 VanDerWaalsContact O-N 3.11Å; E597-R600 VanDerWaalsContact O-CZ 3.27Å; E597-R600 PolarHBondContact O-NE 2.82Å; E597-R600 PolarHBondContact O-NH2 3.42Å; R600-D602 PolarHBondContact O-N 3.06Å |
| 601 | D | 85.1 | Confident | 89.8 | Confident | 125 Ų | 125 | 66.5 Ų | 66.5 | 67% | 0.668 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | 3.7 | -171.7 | -52 | -35.7 | 0 | 0 | 0 | 114 | Y599 W603 | Y599-D601 PolarHBondContact O-N 3.34Å; D601-W603 VanDerWaalsContact C-N 3.31Å; D601-W603 PolarHBondContact O-N 3.35Å; D601-W603 PolarHBondContact O-NE1 3Å |
| 602 | D | 89 | Confident | 89.5 | Confident | 48 Ų | 48 | 67 Ų | 67 | 26% | 0.257 | 34% | 0.342 | S | S | . | . | trans | -81.2 | 78.3 | 176.8 | -169.7 | -7.2 | 0 | 0 | 0 | 111.6 | Y599 R600 N604 K605 V606 | Y599-D602 PolarHBondContact O-N 3.29Å; R600-D602 PolarHBondContact O-N 3.06Å; D602-N604 PolarHBondContact O-N 3.23Å; D602-N604 WeakPolarHBondContact OD1-CB 3.47Å; D602-N604 PolarHBondContact OD1-N 2.9Å; D602-N604 PolarHBondContact OD1-ND2 3.48Å; D602-K605 PolarHBondContact O-N 3.21Å; D602-K605 IonicContact OD2-NZ 3.18Å; D602-K605 PolarHBondContact OD2-NZ 3.42Å; D602-V606 WeakPolarHBondContact O-CG2 3.47Å; D602-V606 PolarHBondContact O-N 3.27Å | ||
| 603 | W | 89.3 | Confident | 89.2 | Confident | 53 Ų | 53 | 67.9 Ų | 67.9 | 20% | 0.201 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -55.1 | -22.4 | -178.3 | -63.1 | 102.1 | 0 | 0 | 0 | 114.4 | L596 D601 V606 S607 Q615 C618 I619 F622 | L596-W603 HydrophobicContact CD2-CH2 3.68Å; L596-W603 HydrophobicContact CD2-CZ2 4.31Å; L596-W603 HydrophobicContact CD2-CZ3 3.84Å; D601-W603 VanDerWaalsContact C-N 3.31Å; D601-W603 PolarHBondContact O-N 3.35Å; D601-W603 PolarHBondContact O-NE1 3Å; W603-V606 HydrophobicContact CE3-CB 4.27Å; W603-V606 HydrophobicContact CE3-CG1 4.11Å; W603-V606 HydrophobicContact CZ3-CG1 4.26Å; W603-S607 WeakPolarHBondContact O-CB 3.46Å; W603-S607 PolarHBondContact O-N 3.12Å; W603-S607 PolarHBondContact O-OG 2.99Å; W603-Q615 HydrophobicContact CB-CB 4.47Å; W603-C618 HydrophobicContact CE3-CB 4.22Å; W603-C618 HydrophobicContact CZ3-CB 4.23Å; W603-I619 HydrophobicContact CB-CD1 4.39Å; W603-I619 HydrophobicContact CD2-CD1 3.98Å; W603-I619 HydrophobicContact CD2-CG1 3.35Å; W603-I619 HydrophobicContact CE3-CB 4.47Å; W603-I619 HydrophobicContact CE3-CD1 4.38Å; W603-I619 HydrophobicContact CE3-CG1 3.41Å; W603-I619 VanDerWaalsContact CE3-CG1 3.41Å; W603-I619 HydrophobicContact CG-CD1 3.93Å; W603-I619 HydrophobicContact CG-CG1 3.87Å; W603-I619 HydrophobicContact CH2-CG1 4.06Å; W603-I619 HydrophobicContact CZ2-CG1 4.03Å; W603-I619 HydrophobicContact CZ3-CB 4.4Å; W603-I619 HydrophobicContact CZ3-CG1 3.76Å; W603-F622 HydrophobicContact CH2-CB 4.11Å; W603-F622 AromaticContact CH2-CD1 3.78Å; W603-F622 HydrophobicContact CH2-CD1 3.78Å; W603-F622 HydrophobicContact CH2-CG 4.13Å; W603-F622 HydrophobicContact CZ2-CD1 4.37Å |
| 604 | N | 88.8 | Confident | 89.1 | Confident | 89 Ų | 89 | 66.4 Ų | 66.4 | 48% | 0.476 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.3 | -57.1 | 171.6 | -50.5 | -86.8 | 0 | 0 | 0 | 110.3 | D602 V606 S607 E608 Q615 | D602-N604 PolarHBondContact O-N 3.23Å; D602-N604 WeakPolarHBondContact OD1-CB 3.47Å; D602-N604 PolarHBondContact OD1-N 2.9Å; D602-N604 PolarHBondContact OD1-ND2 3.48Å; N604-V606 VanDerWaalsContact C-N 3.28Å; N604-V606 PolarHBondContact O-N 3.47Å; N604-S607 PolarHBondContact O-N 3.01Å; N604-S607 PolarHBondContact O-OG 3.38Å; N604-E608 WeakPolarHBondContact O-CB 3.25Å; N604-E608 PolarHBondContact O-N 3.15Å; N604-Q615 PolarHBondContact OD1-NE2 3.03Å |
| 605 | K | 90.1 | Very high | 89 | Confident | 91 Ų | 91 | 62.9 Ų | 62.9 | 40% | 0.396 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.2 | -32.3 | 178.7 | -64.7 | -169.3 | -176.3 | 78.6 | 0 | 112.1 | Y599 D602 E608 H609 | Y599-K605 HydrophobicContact CD1-CB 3.84Å; Y599-K605 HydrophobicContact CD1-CD 3.5Å; Y599-K605 VanDerWaalsContact CD1-CD 3.5Å; Y599-K605 HydrophobicContact CD1-CG 4.32Å; Y599-K605 HydrophobicContact CD2-CB 3.89Å; Y599-K605 HydrophobicContact CE1-CB 4.25Å; Y599-K605 HydrophobicContact CE1-CD 3.78Å; Y599-K605 HydrophobicContact CE2-CB 4.32Å; Y599-K605 HydrophobicContact CG-CB 3.64Å; Y599-K605 HydrophobicContact CG-CD 4.17Å; D602-K605 PolarHBondContact O-N 3.21Å; D602-K605 IonicContact OD2-NZ 3.18Å; D602-K605 PolarHBondContact OD2-NZ 3.42Å; K605-E608 PolarHBondContact O-N 3.29Å; K605-H609 VanDerWaalsContact O-CB 3.32Å; K605-H609 WeakPolarHBondContact O-CB 3.34Å; K605-H609 PolarHBondContact O-N 3.43Å |
| 606 | V | 90.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.8 | -48.1 | 173.2 | 179.5 | 0 | 0 | 0 | 0 | 111 | L592 A595 L596 D602 W603 N604 E608 H609 V610 C618 | L592-V606 HydrophobicContact CD1-CG1 3.46Å; L592-V606 VanDerWaalsContact CD1-CG1 3.46Å; A595-V606 HydrophobicContact CB-CB 4.32Å; A595-V606 HydrophobicContact CB-CG1 4.03Å; A595-V606 HydrophobicContact CB-CG2 4.34Å; L596-V606 HydrophobicContact CD2-CG1 4.38Å; L596-V606 HydrophobicContact CD2-CG2 4.13Å; L596-V606 HydrophobicContact CG-CG1 4.39Å; D602-V606 WeakPolarHBondContact O-CG2 3.47Å; D602-V606 PolarHBondContact O-N 3.27Å; W603-V606 HydrophobicContact CE3-CB 4.27Å; W603-V606 HydrophobicContact CE3-CG1 4.11Å; W603-V606 HydrophobicContact CZ3-CG1 4.26Å; N604-V606 VanDerWaalsContact C-N 3.28Å; N604-V606 PolarHBondContact O-N 3.47Å; V606-E608 PolarHBondContact O-N 3.29Å; V606-H609 PolarHBondContact O-N 2.86Å; V606-V610 WeakPolarHBondContact O-CG2 3.41Å; V606-V610 PolarHBondContact O-N 3.25Å; V606-C618 HydrophobicContact CG1-CB 4.3Å |
| 607 | S | 90.9 | Very high | 88.4 | Confident | 15 Ų | 15 | 68.5 Ų | 68.5 | 11% | 0.105 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65 | -36.5 | 176 | 68.3 | 0 | 0 | 0 | 0 | 113.1 | W603 N604 V610 G611 Q615 | W603-S607 WeakPolarHBondContact O-CB 3.46Å; W603-S607 PolarHBondContact O-N 3.12Å; W603-S607 PolarHBondContact O-OG 2.99Å; N604-S607 PolarHBondContact O-N 3.01Å; N604-S607 PolarHBondContact O-OG 3.38Å; S607-V610 PolarHBondContact O-N 3.11Å; S607-G611 PolarHBondContact O-N 2.87Å; S607-Q615 WeakPolarHBondContact OG-CG 3.39Å |
| 608 | E | 90.8 | Very high | 88.4 | Confident | 152 Ų | 152 | 61.9 Ų | 61.9 | 71% | 0.71 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -65.1 | -43.1 | 176.5 | -173.2 | 177.6 | -167.4 | 0 | 0 | 111.9 | N604 K605 V606 G611 | N604-E608 WeakPolarHBondContact O-CB 3.25Å; N604-E608 PolarHBondContact O-N 3.15Å; K605-E608 PolarHBondContact O-N 3.29Å; V606-E608 PolarHBondContact O-N 3.29Å; E608-G611 PolarHBondContact O-N 2.36Å |
| 609 | H | 90.2 | Very high | 88.3 | Confident | 57 Ų | 57 | 60 Ų | 60 | 26% | 0.264 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -71.1 | -34.3 | 178.1 | -172.5 | 106.8 | 0 | 0 | 0 | 112.8 | L591 E594 A595 Y599 K605 V606 | L591-H609 PolarHBondContact O-CD2 2.88Å; E594-H609 IonicContact OE1-CE1 3.85Å; A595-H609 HydrophobicContact CB-CB 3.82Å; Y599-H609 HydrophobicContact CE2-CB 3.99Å; Y599-H609 AromaticContact CE2-ND1 3.82Å; K605-H609 VanDerWaalsContact O-CB 3.32Å; K605-H609 WeakPolarHBondContact O-CB 3.34Å; K605-H609 PolarHBondContact O-N 3.43Å; V606-H609 PolarHBondContact O-N 2.86Å |
| 610 | V | 90.9 | Very high | 88.1 | Confident | 6 Ų | 6 | 59.7 Ų | 59.7 | 4% | 0.036 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -73.4 | -30.3 | 172.1 | 175 | 0 | 0 | 0 | 0 | 111.7 | W584 L591 L592 V606 S607 S612 R613 | W584-V610 HydrophobicContact CH2-CG1 4.34Å; W584-V610 HydrophobicContact CZ3-CG1 4.34Å; L591-V610 HydrophobicContact CB-CG2 4.3Å; L592-V610 HydrophobicContact CB-CG2 3.98Å; L592-V610 HydrophobicContact CD1-CG2 4.33Å; V606-V610 WeakPolarHBondContact O-CG2 3.41Å; V606-V610 PolarHBondContact O-N 3.25Å; S607-V610 PolarHBondContact O-N 3.11Å; V610-S612 PolarHBondContact O-N 3.41Å; V610-S612 PolarHBondContact O-OG 3.41Å; V610-R613 HydrophobicContact CG1-CB 3.81Å; V610-R613 HydrophobicContact CG1-CG 3.7Å |
| 611 | G | 85.6 | Confident | 88 | Confident | 65 Ų | 65 | 53.7 Ų | 53.7 | 67% | 0.67 | 29% | 0.288 | S | S | * | . | trans | 64.9 | -14.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | S607 E608 | S607-G611 PolarHBondContact O-N 2.87Å; E608-G611 PolarHBondContact O-N 2.36Å | ||
| 612 | S | 86.1 | Confident | 88.2 | Confident | 56 Ų | 56 | 51.1 Ų | 51.1 | 39% | 0.392 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -122.7 | 4 | -169.1 | 55.2 | 0 | 0 | 0 | 0 | 113.4 | V610 | V610-S612 PolarHBondContact O-N 3.41Å; V610-S612 PolarHBondContact O-OG 3.41Å |
| 613 | R | 86.1 | Confident | 88.1 | Confident | 18 Ų | 18 | 54.9 Ų | 54.9 | 7% | 0.068 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -142.8 | 147.4 | -170.8 | -63 | -65.9 | 179 | 168.6 | 0.2 | 111 | R582 E583 W584 E588 V610 E617 | R582-R613 PolarHBondContact O-NH1 3.37Å; R582-R613 PolarHBondContact O-NH2 2.92Å; E583-R613 PolarHBondContact O-NH2 2.89Å; W584-R613 HydrophobicContact CH2-CB 4.08Å; W584-R613 HydrophobicContact CH2-CG 3.64Å; W584-R613 HydrophobicContact CZ2-CB 4.11Å; W584-R613 HydrophobicContact CZ2-CG 3.67Å; W584-R613 HydrophobicContact CZ3-CG 4.14Å; E588-R613 IonicContact OE2-CZ 2.78Å; E588-R613 IonicContact OE2-NE 3.57Å; E588-R613 PolarHBondContact OE2-NE 2.91Å; E588-R613 IonicContact OE2-NH2 2.99Å; E588-R613 PolarHBondContact OE2-NH2 3.04Å; V610-R613 HydrophobicContact CG1-CB 3.81Å; V610-R613 HydrophobicContact CG1-CG 3.7Å; R613-E617 VanDerWaalsContact CA-OE2 3.3Å; R613-E617 WeakPolarHBondContact CA-OE2 3.39Å; R613-E617 HydrophobicContact CB-CB 4.17Å; R613-E617 VanDerWaalsContact CD-OE2 3.26Å; R613-E617 WeakPolarHBondContact CD-OE2 3.38Å; R613-E617 IonicContact CZ-OE1 3.64Å; R613-E617 IonicContact NH1-OE1 3.93Å; R613-E617 PolarHBondContact NH1-OE1 2.65Å |
| 614 | T | 88.3 | Confident | 87.7 | Confident | 24 Ų | 24 | 60.6 Ų | 60.6 | 15% | 0.147 | 31% | 0.312 | C | S | . | . | trans | -76.8 | 168.6 | 172.7 | 69.4 | 0 | 0 | 0 | 0 | 111.8 | D616 E617 C618 | T614-D616 VanDerWaalsContact C-N 3.34Å; T614-D616 PolarHBondContact O-N 3.05Å; T614-E617 PolarHBondContact N-OE2 2.68Å; T614-E617 VanDerWaalsContact N-OE2 3.09Å; T614-E617 PolarHBondContact O-N 3.03Å; T614-E617 PolarHBondContact OG1-N 3.43Å; T614-C618 PolarHBondContact O-N 3.16Å; T614-C618 VanDerWaalsContact O-N 3.07Å; T614-C618 PolarHBondContact O-SG 3.36Å | ||
| 615 | Q | 88.3 | Confident | 87.4 | Confident | 31 Ų | 31 | 57.5 Ų | 57.5 | 15% | 0.145 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.1 | -47.1 | 175.7 | -61.1 | -177.8 | 10.7 | 0 | 0 | 111.4 | N519 W603 N604 S607 E617 C618 I619 | N519-Q615 PolarHBondContact ND2-NE2 3.5Å; N519-Q615 PolarHBondContact OD1-N 2.85Å; W603-Q615 HydrophobicContact CB-CB 4.47Å; N604-Q615 PolarHBondContact OD1-NE2 3.03Å; S607-Q615 WeakPolarHBondContact OG-CG 3.39Å; Q615-E617 VanDerWaalsContact C-N 3.35Å; Q615-E617 PolarHBondContact O-N 2.7Å; Q615-C618 WeakPolarHBondContact O-CB 3.44Å; Q615-C618 PolarHBondContact O-N 2.92Å; Q615-C618 VanDerWaalsContact O-N 3.16Å; Q615-I619 VanDerWaalsContact O-CG1 3.3Å; Q615-I619 WeakPolarHBondContact O-CG1 2.72Å; Q615-I619 PolarHBondContact O-N 2.63Å |
| 616 | D | 83.8 | Confident | 86.6 | Confident | 83 Ų | 83 | 55.2 Ų | 55.2 | 44% | 0.444 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.4 | -39.2 | 179 | -55.5 | -56.8 | 0 | 0 | 0 | 112.5 | T614 L620 | T614-D616 VanDerWaalsContact C-N 3.34Å; T614-D616 PolarHBondContact O-N 3.05Å; D616-L620 WeakPolarHBondContact O-CB 3.39Å; D616-L620 WeakPolarHBondContact O-CG 3.31Å; D616-L620 PolarHBondContact O-N 3.08Å |
| 617 | E | 86.3 | Confident | 86 | Confident | 57 Ų | 57 | 59 Ų | 59 | 27% | 0.266 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 174.1 | -75.6 | -172.2 | 108.4 | 0 | 0 | 111.4 | W584 R613 T614 Q615 L620 H621 | W584-E617 HydrophobicContact CZ2-CB 4.1Å; W584-E617 WeakPolarHBondContact CZ2-O 3.21Å; R613-E617 VanDerWaalsContact CA-OE2 3.3Å; R613-E617 WeakPolarHBondContact CA-OE2 3.39Å; R613-E617 HydrophobicContact CB-CB 4.17Å; R613-E617 VanDerWaalsContact CD-OE2 3.26Å; R613-E617 WeakPolarHBondContact CD-OE2 3.38Å; R613-E617 IonicContact CZ-OE1 3.64Å; R613-E617 IonicContact NH1-OE1 3.93Å; R613-E617 PolarHBondContact NH1-OE1 2.65Å; T614-E617 PolarHBondContact N-OE2 2.68Å; T614-E617 VanDerWaalsContact N-OE2 3.09Å; T614-E617 PolarHBondContact O-N 3.03Å; T614-E617 PolarHBondContact OG1-N 3.43Å; Q615-E617 VanDerWaalsContact C-N 3.35Å; Q615-E617 PolarHBondContact O-N 2.7Å; E617-L620 PolarHBondContact O-N 2.81Å; E617-H621 WeakPolarHBondContact O-CB 3.33Å; E617-H621 PolarHBondContact O-N 3.16Å |
| 618 | C | 89.6 | Confident | 85 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 179 | -64.8 | 0 | 0 | 0 | 0 | 111.6 | L592 W603 V606 T614 Q615 H621 F622 | L592-C618 HydrophobicContact CD1-CB 3.78Å; W603-C618 HydrophobicContact CE3-CB 4.22Å; W603-C618 HydrophobicContact CZ3-CB 4.23Å; V606-C618 HydrophobicContact CG1-CB 4.3Å; T614-C618 PolarHBondContact O-N 3.16Å; T614-C618 VanDerWaalsContact O-N 3.07Å; T614-C618 PolarHBondContact O-SG 3.36Å; Q615-C618 WeakPolarHBondContact O-CB 3.44Å; Q615-C618 PolarHBondContact O-N 2.92Å; Q615-C618 VanDerWaalsContact O-N 3.16Å; C618-H621 PolarHBondContact O-N 3.03Å; C618-F622 WeakPolarHBondContact O-CB 3.46Å; C618-F622 PolarHBondContact O-N 3.14Å |
| 619 | I | 88.9 | Confident | 83.8 | Confident | 48 Ų | 48 | 61.8 Ų | 61.8 | 25% | 0.246 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.1 | -50.5 | 175.7 | -65.5 | 162.1 | 0 | 0 | 0 | 110.4 | W603 Q615 H621 F622 L623 | W603-I619 HydrophobicContact CB-CD1 4.39Å; W603-I619 HydrophobicContact CD2-CD1 3.98Å; W603-I619 HydrophobicContact CD2-CG1 3.35Å; W603-I619 HydrophobicContact CE3-CB 4.47Å; W603-I619 HydrophobicContact CE3-CD1 4.38Å; W603-I619 HydrophobicContact CE3-CG1 3.41Å; W603-I619 VanDerWaalsContact CE3-CG1 3.41Å; W603-I619 HydrophobicContact CG-CD1 3.93Å; W603-I619 HydrophobicContact CG-CG1 3.87Å; W603-I619 HydrophobicContact CH2-CG1 4.06Å; W603-I619 HydrophobicContact CZ2-CG1 4.03Å; W603-I619 HydrophobicContact CZ3-CB 4.4Å; W603-I619 HydrophobicContact CZ3-CG1 3.76Å; Q615-I619 VanDerWaalsContact O-CG1 3.3Å; Q615-I619 WeakPolarHBondContact O-CG1 2.72Å; Q615-I619 PolarHBondContact O-N 2.63Å; I619-H621 VanDerWaalsContact C-N 3.29Å; I619-H621 PolarHBondContact O-N 3.1Å; I619-F622 PolarHBondContact O-N 3.17Å; I619-L623 HydrophobicContact CG2-CD1 3.79Å; I619-L623 HydrophobicContact CG2-CG 4.39Å; I619-L623 WeakPolarHBondContact O-CB 3.48Å; I619-L623 WeakPolarHBondContact O-CG 3.47Å; I619-L623 PolarHBondContact O-N 3.29Å |
| 620 | L | 84.6 | Confident | 82.8 | Confident | 83 Ų | 83 | 61.6 Ų | 61.6 | 44% | 0.435 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -68.3 | -25.1 | -177.4 | -72.9 | 172.2 | 0 | 0 | 0 | 113.6 | D616 E617 R624 | D616-L620 WeakPolarHBondContact O-CB 3.39Å; D616-L620 WeakPolarHBondContact O-CG 3.31Å; D616-L620 PolarHBondContact O-N 3.08Å; E617-L620 PolarHBondContact O-N 2.81Å; L620-R624 WeakPolarHBondContact O-CD 3.38Å; L620-R624 WeakPolarHBondContact O-CG 3.43Å; L620-R624 PolarHBondContact O-NE 2.94Å |
| 621 | H | 85.8 | Confident | 81.5 | Confident | 26 Ų | 26 | 69 Ų | 69 | 12% | 0.12 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -78.9 | -47.3 | 172.4 | -168.4 | 52.4 | 0 | 0 | 0 | 111.1 | W584 T589 L592 E617 C618 I619 L623 R624 L625 | W584-H621 AromaticContact CD1-CG 3.97Å; W584-H621 AromaticContact CD1-ND1 3.83Å; W584-H621 HydrophobicContact CD2-CB 4Å; W584-H621 AromaticContact CD2-CD2 3.26Å; W584-H621 AromaticContact CD2-CG 3.51Å; W584-H621 AromaticContact CD2-ND1 3.98Å; W584-H621 AromaticContact CD2-NE2 3.6Å; W584-H621 VanDerWaalsContact CE2-CB 3.5Å; W584-H621 AromaticContact CE2-CD2 3.73Å; W584-H621 AromaticContact CE2-CG 3.57Å; W584-H621 AromaticContact CE3-CD2 3.21Å; W584-H621 AromaticContact CE3-CG 3.94Å; W584-H621 AromaticContact CE3-NE2 3.58Å; W584-H621 HydrophobicContact CG-CB 4.49Å; W584-H621 AromaticContact CG-CD2 3.77Å; W584-H621 AromaticContact CG-CE1 3.66Å; W584-H621 AromaticContact CG-CG 3.79Å; W584-H621 AromaticContact CG-ND1 3.73Å; W584-H621 AromaticContact CG-NE2 3.68Å; W584-H621 HydrophobicContact CH2-CB 4.14Å; W584-H621 HydrophobicContact CZ2-CB 3.59Å; W584-H621 AromaticContact CZ3-CD2 3.62Å; W584-H621 AromaticContact NE1-CG 3.85Å; T589-H621 PolarHBondContact OG1-NE2 2.66Å; L592-H621 HydrophobicContact CD2-CB 4.18Å; E617-H621 WeakPolarHBondContact O-CB 3.33Å; E617-H621 PolarHBondContact O-N 3.16Å; C618-H621 PolarHBondContact O-N 3.03Å; I619-H621 VanDerWaalsContact C-N 3.29Å; I619-H621 PolarHBondContact O-N 3.1Å; H621-L623 PolarHBondContact O-N 3.05Å; H621-R624 CarbonylContact O-C 3.55Å; H621-R624 WeakPolarHBondContact O-CA 3.17Å; H621-R624 PolarHBondContact O-N 2.93Å; H621-L625 PolarHBondContact O-N 3.49Å |
| 622 | F | 88.4 | Confident | 80.4 | Confident | 71 Ų | 71 | 70 Ų | 70 | 31% | 0.311 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -54.9 | -48.8 | 176.7 | 175.7 | -114.3 | 0 | 0 | 0 | 112.4 | L592 L596 W603 C618 I619 R624 L625 I627 | L592-F622 HydrophobicContact CD2-CB 4.39Å; L596-F622 HydrophobicContact CD1-CB 4.27Å; L596-F622 HydrophobicContact CD1-CD2 3.36Å; L596-F622 HydrophobicContact CD1-CE2 3.8Å; L596-F622 HydrophobicContact CD1-CG 3.85Å; W603-F622 HydrophobicContact CH2-CB 4.11Å; W603-F622 AromaticContact CH2-CD1 3.78Å; W603-F622 HydrophobicContact CH2-CD1 3.78Å; W603-F622 HydrophobicContact CH2-CG 4.13Å; W603-F622 HydrophobicContact CZ2-CD1 4.37Å; C618-F622 WeakPolarHBondContact O-CB 3.46Å; C618-F622 PolarHBondContact O-N 3.14Å; I619-F622 PolarHBondContact O-N 3.17Å; F622-R624 PolarHBondContact O-N 3.45Å; F622-L625 HydrophobicContact CD2-CD1 4.24Å; F622-L625 PolarHBondContact O-N 3.49Å; F622-L625 VanDerWaalsContact O-N 3.14Å; F622-I627 HydrophobicContact CE2-CD1 4.39Å |
| 623 | L | 86.1 | Confident | 79 | Confident | 128 Ų | 128 | 73 Ų | 73 | 67% | 0.67 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -5.5 | 177.1 | -67.2 | 175.8 | 0 | 0 | 0 | 114.5 | I619 H621 | I619-L623 HydrophobicContact CG2-CD1 3.79Å; I619-L623 HydrophobicContact CG2-CG 4.39Å; I619-L623 WeakPolarHBondContact O-CB 3.48Å; I619-L623 WeakPolarHBondContact O-CG 3.47Å; I619-L623 PolarHBondContact O-N 3.29Å; H621-L623 PolarHBondContact O-N 3.05Å |
| 624 | R | 81.8 | Confident | 77.5 | Confident | 173 Ų | 173 | 79.4 Ų | 79.4 | 65% | 0.653 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.8 | 3.9 | 177.6 | -67.8 | 176.6 | -172.3 | 150.4 | 1.7 | 113.2 | L620 H621 F622 P626 | L620-R624 WeakPolarHBondContact O-CD 3.38Å; L620-R624 WeakPolarHBondContact O-CG 3.43Å; L620-R624 PolarHBondContact O-NE 2.94Å; H621-R624 CarbonylContact O-C 3.55Å; H621-R624 WeakPolarHBondContact O-CA 3.17Å; H621-R624 PolarHBondContact O-N 2.93Å; F622-R624 PolarHBondContact O-N 3.45Å; R624-P626 WeakPolarHBondContact O-CD 3.41Å |
| 625 | L | 81.9 | Confident | 75.6 | Confident | 24 Ų | 24 | 80 Ų | 80 | 13% | 0.126 | 39% | 0.394 | C | S | . | . | trans | -70.9 | 123.1 | 172.9 | -65.1 | -178.9 | 0 | 0 | 0 | 109.1 | T589 L593 H621 F622 I627 | T589-L625 HydrophobicContact CG2-CD2 4.08Å; L593-L625 HydrophobicContact CD2-CD1 3.97Å; H621-L625 PolarHBondContact O-N 3.49Å; F622-L625 HydrophobicContact CD2-CD1 4.24Å; F622-L625 PolarHBondContact O-N 3.49Å; F622-L625 VanDerWaalsContact O-N 3.14Å; L625-I627 HydrophobicContact CB-CD1 4.18Å; L625-I627 HydrophobicContact CB-CG1 3.9Å; L625-I627 PolarHBondContact O-N 2.86Å | ||
| 626 | P | 74.5 | Confident | 73.8 | Confident | 43 Ų | 43 | 83.2 Ų | 83.2 | 28% | 0.279 | 42% | 0.42 | S | S | . | . | trans | -77.3 | 69.9 | 179.3 | 32.6 | -35.5 | 0 | 0 | 0 | 110.2 | R624 D629 P630 | R624-P626 WeakPolarHBondContact O-CD 3.41Å; P626-D629 HydrophobicContact CB-CB 4.05Å; P626-D629 WeakPolarHBondContact CB-OD2 3.45Å; P626-P630 VanDerWaalsContact O-CD 3.28Å; P626-P630 WeakPolarHBondContact O-CD 2.98Å | ||
| 627 | I | 76.3 | Confident | 72.3 | Confident | 78 Ų | 78 | 84 Ų | 84 | 40% | 0.4 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -73.6 | -44.6 | -178.3 | -60.8 | 170.2 | 0 | 0 | 0 | 110 | F622 L625 Y631 | F622-I627 HydrophobicContact CE2-CD1 4.39Å; L625-I627 HydrophobicContact CB-CD1 4.18Å; L625-I627 HydrophobicContact CB-CG1 3.9Å; L625-I627 PolarHBondContact O-N 2.86Å; I627-Y631 WeakPolarHBondContact O-CE2 3.24Å |
| 628 | E | 70.7 | Confident | 70.8 | Confident | 135 Ų | 135 | 85.5 Ų | 85.5 | 63% | 0.631 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -102.8 | -27 | -176.3 | -62.7 | -171.7 | -179.8 | 0 | 0 | 113.3 | P630 Y631 L632 | E628-P630 VanDerWaalsContact C-N 3.34Å; E628-P630 VanDerWaalsContact O-N 3.15Å; E628-Y631 WeakPolarHBondContact O-CA 3.24Å; E628-Y631 WeakPolarHBondContact O-CB 3.43Å; E628-Y631 PolarHBondContact O-N 3.01Å; E628-L632 HydrophobicContact CB-CD1 4.06Å; E628-L632 PolarHBondContact O-N 3.31Å |
| 629 | D | 66.3 | Low | 69.5 | Low | 91 Ų | 91 | 88.7 Ų | 88.7 | 49% | 0.487 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -48.1 | -43.6 | -178.7 | -56.4 | -21.2 | 0 | 0 | 0 | 114.3 | P626 Y631 L632 E633 | P626-D629 HydrophobicContact CB-CB 4.05Å; P626-D629 WeakPolarHBondContact CB-OD2 3.45Å; D629-Y631 PolarHBondContact O-N 3.19Å; D629-L632 PolarHBondContact O-N 3.12Å; D629-E633 WeakPolarHBondContact O-CG 3.49Å; D629-E633 PolarHBondContact O-N 3.34Å |
| 630 | P | 68.6 | Low | 68.5 | Low | 53 Ų | 53 | 87.5 Ų | 87.5 | 34% | 0.344 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.2 | -11.9 | 178.8 | -21.7 | 35.2 | 0 | 0 | 0 | 114.9 | I567 P626 E628 | I567-P630 HydrophobicContact CG2-CG 4.43Å; P626-P630 VanDerWaalsContact O-CD 3.28Å; P626-P630 WeakPolarHBondContact O-CD 2.98Å; E628-P630 VanDerWaalsContact C-N 3.34Å; E628-P630 VanDerWaalsContact O-N 3.15Å |
| 631 | Y | 63.1 | Low | 67.5 | Low | 163 Ų | 163 | 84.9 Ų | 84.9 | 64% | 0.639 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -102.9 | -11.9 | 174.1 | -51.8 | -87.5 | 0 | 0 | 0 | 112.2 | I627 E628 D629 | I627-Y631 WeakPolarHBondContact O-CE2 3.24Å; E628-Y631 WeakPolarHBondContact O-CA 3.24Å; E628-Y631 WeakPolarHBondContact O-CB 3.43Å; E628-Y631 PolarHBondContact O-N 3.01Å; D629-Y631 PolarHBondContact O-N 3.19Å |
| 632 | L | 63 | Low | 66.6 | Low | 86 Ų | 86 | 88.4 Ų | 88.4 | 45% | 0.45 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -105.5 | -19 | -178.6 | -61.5 | 175.2 | 0 | 0 | 0 | 113.4 | E628 D629 D634 S635 S636 | E628-L632 HydrophobicContact CB-CD1 4.06Å; E628-L632 PolarHBondContact O-N 3.31Å; D629-L632 PolarHBondContact O-N 3.12Å; L632-D634 VanDerWaalsContact C-N 3.33Å; L632-D634 PolarHBondContact O-N 3.23Å; L632-S635 WeakPolarHBondContact O-CA 3.44Å; L632-S635 WeakPolarHBondContact O-CB 3.13Å; L632-S635 PolarHBondContact O-N 3.38Å; L632-S636 PolarHBondContact O-N 2.93Å |
| 633 | E | 56.6 | Low | 65.5 | Low | 118 Ų | 118 | 88 Ų | 88 | 55% | 0.551 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -44.6 | 179.7 | -82.8 | -179.3 | 170.2 | 0 | 0 | 112.9 | R570 D629 S635 S636 | R570-E633 IonicContact NH1-OE2 4Å; R570-E633 PolarHBondContact NH1-OE2 3.03Å; D629-E633 WeakPolarHBondContact O-CG 3.49Å; D629-E633 PolarHBondContact O-N 3.34Å; E633-S635 PolarHBondContact O-N 3.06Å; E633-S636 PolarHBondContact O-OG 3.12Å |
| 634 | D | 54.2 | Low | 64.5 | Low | 153 Ų | 153 | 90 Ų | 90 | 82% | 0.818 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -15.8 | 176.5 | -77.7 | -30.4 | 0 | 0 | 0 | 113.9 | L632 S638 | L632-D634 VanDerWaalsContact C-N 3.33Å; L632-D634 PolarHBondContact O-N 3.23Å; D634-S638 PolarHBondContact O-OG 3.29Å; D634-S638 VanDerWaalsContact O-OG 3.05Å |
| 635 | S | 49.9 | Very low | 63.7 | Low | 36 Ų | 36 | 88.3 Ų | 88.3 | 25% | 0.252 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -29.4 | -170.3 | -63.5 | 0 | 0 | 0 | 0 | 113.7 | L632 E633 A637 S638 L639 | L632-S635 WeakPolarHBondContact O-CA 3.44Å; L632-S635 WeakPolarHBondContact O-CB 3.13Å; L632-S635 PolarHBondContact O-N 3.38Å; E633-S635 PolarHBondContact O-N 3.06Å; S635-A637 VanDerWaalsContact C-N 3.29Å; S635-A637 PolarHBondContact O-N 3.08Å; S635-A637 VanDerWaalsContact O-N 3.11Å; S635-S638 WeakPolarHBondContact CA-OG 3.36Å; S635-S638 PolarHBondContact O-N 3.31Å; S635-S638 PolarHBondContact O-OG 3.01Å; S635-L639 VanDerWaalsContact O-CG 3.28Å; S635-L639 WeakPolarHBondContact O-CG 3.33Å; S635-L639 PolarHBondContact O-N 3.26Å |
| 636 | S | 48.8 | Very low | 62.7 | Low | 99 Ų | 99 | 93 Ų | 93 | 69% | 0.692 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -37.4 | -171.4 | 61.1 | 0 | 0 | 0 | 0 | 115.2 | L632 E633 | L632-S636 PolarHBondContact O-N 2.93Å; E633-S636 PolarHBondContact O-OG 3.12Å |
| 637 | A | 53.4 | Low | 62 | Low | 100 Ų | 100 | 92.1 Ų | 92.1 | 83% | 0.826 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -3.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S635 | S635-A637 VanDerWaalsContact C-N 3.29Å; S635-A637 PolarHBondContact O-N 3.08Å; S635-A637 VanDerWaalsContact O-N 3.11Å |
| 638 | S | 55.3 | Low | 61.3 | Low | 87 Ų | 87 | 92.7 Ų | 92.7 | 61% | 0.608 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.9 | -16.8 | -174 | 65.7 | 0 | 0 | 0 | 0 | 114.5 | D634 S635 G640 | D634-S638 PolarHBondContact O-OG 3.29Å; D634-S638 VanDerWaalsContact O-OG 3.05Å; S635-S638 WeakPolarHBondContact CA-OG 3.36Å; S635-S638 PolarHBondContact O-N 3.31Å; S635-S638 PolarHBondContact O-OG 3.01Å; S638-G640 VanDerWaalsContact C-N 3.29Å; S638-G640 PolarHBondContact O-N 2.91Å |
| 639 | L | 61.1 | Low | 60.9 | Low | 68 Ų | 68 | 89.7 Ų | 89.7 | 36% | 0.356 | 51% | 0.506 | S | S | . | . | trans | -62 | -28.3 | 178.2 | -78.6 | 162.6 | 0 | 0 | 0 | 114.5 | S635 L642 A643 | S635-L639 VanDerWaalsContact O-CG 3.28Å; S635-L639 WeakPolarHBondContact O-CG 3.33Å; S635-L639 PolarHBondContact O-N 3.26Å; L639-L642 HydrophobicContact CB-CB 4.36Å; L639-L642 HydrophobicContact CD2-CB 4.04Å; L639-L642 HydrophobicContact CD2-CD1 4.42Å; L639-L642 VanDerWaalsContact O-CB 3.28Å; L639-L642 WeakPolarHBondContact O-CB 3.44Å; L639-L642 PolarHBondContact O-N 2.92Å; L639-A643 HydrophobicContact CB-CB 4.2Å | ||
| 640 | G | 68.7 | Low | 60.4 | Low | 22 Ų | 22 | 89.9 Ų | 89.9 | 23% | 0.227 | 51% | 0.514 | C | S | . | . | G | 310 helix | trans | 55.9 | -125.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S638 L642 A643 S665 | S638-G640 VanDerWaalsContact C-N 3.29Å; S638-G640 PolarHBondContact O-N 2.91Å; G640-L642 PolarHBondContact O-N 3.42Å; G640-L642 VanDerWaalsContact O-N 3.15Å; G640-A643 WeakPolarHBondContact O-CB 3.46Å; G640-A643 PolarHBondContact O-N 3.31Å; G640-A643 VanDerWaalsContact O-N 3.12Å; G640-S665 VanDerWaalsContact CA-CB 3.5Å |
| 641 | P | 64.2 | Low | 59.7 | Low | 28 Ų | 28 | 97 Ų | 97 | 18% | 0.182 | 54% | 0.543 | C | S | . | . | G | 310 helix | trans | -57.2 | -26 | 176.2 | -24.6 | 34 | 0 | 0 | 0 | 114.2 | A643 Y644 V647 A661 S665 | P641-A643 PolarHBondContact O-N 3.25Å; P641-Y644 PolarHBondContact O-N 2.95Å; P641-V647 HydrophobicContact CB-CG1 4.2Å; P641-A661 HydrophobicContact CG-CB 4.12Å; P641-S665 WeakPolarHBondContact CD-OG 3.27Å |
| 642 | L | 65.9 | Low | 59.2 | Low | 101 Ų | 101 | 92.1 Ų | 92.1 | 53% | 0.529 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -71.7 | -14.6 | -179.6 | -54.6 | 178.6 | 0 | 0 | 0 | 113.3 | L639 G640 Y644 Q645 V647 | L639-L642 HydrophobicContact CB-CB 4.36Å; L639-L642 HydrophobicContact CD2-CB 4.04Å; L639-L642 HydrophobicContact CD2-CD1 4.42Å; L639-L642 VanDerWaalsContact O-CB 3.28Å; L639-L642 WeakPolarHBondContact O-CB 3.44Å; L639-L642 PolarHBondContact O-N 2.92Å; G640-L642 PolarHBondContact O-N 3.42Å; G640-L642 VanDerWaalsContact O-N 3.15Å; L642-Y644 PolarHBondContact O-N 2.59Å; L642-Q645 PolarHBondContact O-NE2 2.97Å; L642-V647 HydrophobicContact CD2-CG2 4.14Å |
| 643 | A | 64.5 | Low | 58.7 | Low | 61 Ų | 61 | 97.6 Ų | 97.6 | 50% | 0.504 | 56% | 0.556 | S | S | . | * | G | 310 helix | trans | -70.3 | -15.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | L639 G640 P641 | L639-A643 HydrophobicContact CB-CB 4.2Å; G640-A643 WeakPolarHBondContact O-CB 3.46Å; G640-A643 PolarHBondContact O-N 3.31Å; G640-A643 VanDerWaalsContact O-N 3.12Å; P641-A643 PolarHBondContact O-N 3.25Å |
| 644 | Y | 65.4 | Low | 59.3 | Low | 171 Ų | 171 | 95.4 Ų | 95.4 | 67% | 0.671 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -111.2 | 87.9 | 177.7 | -57.1 | -79.8 | 0 | 0 | 0 | 109.2 | P641 L642 P646 V647 | P641-Y644 PolarHBondContact O-N 2.95Å; L642-Y644 PolarHBondContact O-N 2.59Å; Y644-P646 CarbonylContact O-C 3.58Å; Y644-P646 VanDerWaalsContact O-C 3.22Å; Y644-V647 VanDerWaalsContact O-CA 3.26Å; Y644-V647 WeakPolarHBondContact O-CA 3.39Å; Y644-V647 PolarHBondContact O-N 3.34Å |
| 645 | Q | 65.4 | Low | 60.3 | Low | 137 Ų | 137 | 92.4 Ų | 92.4 | 64% | 0.64 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -94 | 134.5 | 172.6 | -66.3 | -63.2 | -17.5 | 0 | 0 | 110.6 | L642 | L642-Q645 PolarHBondContact O-NE2 2.97Š|
| 646 | P | 61 | Low | 61.6 | Low | 122 Ų | 122 | 95 Ų | 95 | 79% | 0.792 | 55% | 0.551 | S | S | * | * | S | Bend | cis | -71.2 | 138.2 | -4.5 | -15.1 | 30.9 | 0 | 0 | 0 | 112.5 | Y644 P648 | Y644-P646 CarbonylContact O-C 3.58Å; Y644-P646 VanDerWaalsContact O-C 3.22Å; P646-P648 WeakPolarHBondContact O-CD 3.41Å |
| 647 | V | 60.3 | Low | 62.7 | Low | 25 Ų | 25 | 94 Ų | 94 | 15% | 0.152 | 54% | 0.536 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 116.6 | -177.4 | -172.7 | 0 | 0 | 0 | 0 | 110.5 | P641 L642 Y644 F649 S650 | P641-V647 HydrophobicContact CB-CG1 4.2Å; L642-V647 HydrophobicContact CD2-CG2 4.14Å; Y644-V647 VanDerWaalsContact O-CA 3.26Å; Y644-V647 WeakPolarHBondContact O-CA 3.39Å; Y644-V647 PolarHBondContact O-N 3.34Å; V647-F649 PolarHBondContact O-N 3.21Å; V647-S650 WeakPolarHBondContact O-CB 3.28Å; V647-S650 PolarHBondContact O-N 2.83Å; V647-S650 VanDerWaalsContact O-N 3.1Å |
| 648 | P | 60 | Low | 63.7 | Low | 90 Ų | 90 | 91.4 Ų | 91.4 | 58% | 0.584 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -2.7 | -167.8 | 26.5 | -35.5 | 0 | 0 | 0 | 115.3 | P646 | P646-P648 WeakPolarHBondContact O-CD 3.41Š|
| 649 | F | 63.1 | Low | 64.8 | Low | 73 Ų | 73 | 90.8 Ų | 90.8 | 32% | 0.32 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | 13.2 | 179.2 | -49.3 | -64.3 | 0 | 0 | 0 | 113.2 | V647 M657 A661 | V647-F649 PolarHBondContact O-N 3.21Å; F649-M657 HydrophobicContact CD1-CB 4.2Å; F649-M657 HydrophobicContact CE1-CB 4.31Å; F649-M657 HydrophobicContact CE1-CE 4.36Å; F649-M657 HydrophobicContact CZ-CE 4.16Å; F649-A661 HydrophobicContact CD2-CB 4.11Å; F649-A661 HydrophobicContact CE2-CB 4.25Å |
| 650 | S | 55.1 | Low | 65.5 | Low | 94 Ų | 94 | 90.5 Ų | 90.5 | 66% | 0.657 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -84.8 | -10.5 | -176.1 | -168 | 0 | 0 | 0 | 0 | 115.1 | V647 | V647-S650 WeakPolarHBondContact O-CB 3.28Å; V647-S650 PolarHBondContact O-N 2.83Å; V647-S650 VanDerWaalsContact O-N 3.1Å |
| 651 | Q | 54.2 | Low | 65.7 | Low | 202 Ų | 202 | 90.5 Ų | 90.5 | 94% | 0.944 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -136.4 | 2.1 | -177.1 | -73 | -172.3 | -18.9 | 0 | 0 | 114.2 | ||
| 652 | S | 52.2 | Low | 66.2 | Low | 62 Ų | 62 | 95.4 Ų | 95.4 | 43% | 0.434 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -101 | 146.8 | -178.9 | 48.9 | 0 | 0 | 0 | 0 | 112.2 | N654 | S652-N654 PolarHBondContact O-N 3.32Š|
| 653 | E | 53.7 | Low | 66.7 | Low | 201 Ų | 201 | 92.5 Ų | 92.5 | 94% | 0.939 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -72.1 | 31.8 | -174.8 | -56.6 | -172.3 | 128.2 | 0 | 0 | 114.5 | P655 | E653-P655 VanDerWaalsContact C-CD 3.41Å; E653-P655 WeakPolarHBondContact O-CD 3.03Å |
| 654 | N | 68.6 | Low | 67.2 | Low | 72 Ų | 72 | 92.7 Ų | 92.7 | 39% | 0.385 | 51% | 0.509 | S | S | . | . | trans | -110.6 | 77.2 | -179.6 | -162.6 | -31.1 | 0 | 0 | 0 | 111.2 | S652 V656 M657 S658 | S652-N654 PolarHBondContact O-N 3.32Å; N654-V656 PolarHBondContact O-N 2.88Å; N654-V656 PolarHBondContact OD1-N 3.32Å; N654-M657 HydrophobicContact CB-CB 4.21Å; N654-M657 WeakPolarHBondContact ND2-CG 3.42Å; N654-M657 PolarHBondContact O-N 3.42Å; N654-M657 WeakPolarHBondContact OD1-CB 3.39Å; N654-M657 WeakPolarHBondContact OD1-CG 3.24Å; N654-M657 PolarHBondContact OD1-N 3.18Å; N654-S658 PolarHBondContact O-N 3.21Å; N654-S658 VanDerWaalsContact O-N 3.15Å; N654-S658 PolarHBondContact O-OG 3.26Å | ||
| 655 | P | 75.3 | Confident | 67.5 | Low | 89 Ų | 89 | 87.2 Ų | 87.2 | 58% | 0.578 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.4 | -20.3 | -179.9 | 28.3 | -36.2 | 0 | 0 | 0 | 112.6 | E653 S658 T659 | E653-P655 VanDerWaalsContact C-CD 3.41Å; E653-P655 WeakPolarHBondContact O-CD 3.03Å; P655-S658 PolarHBondContact O-OG 3.37Å; P655-T659 WeakPolarHBondContact O-CB 3.31Å; P655-T659 PolarHBondContact O-N 2.93Å; P655-T659 PolarHBondContact O-OG1 2.92Å |
| 656 | V | 77 | Confident | 68 | Low | 92 Ų | 92 | 82.3 Ų | 82.3 | 56% | 0.558 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -70.5 | -52.3 | 173.6 | -177.7 | 0 | 0 | 0 | 0 | 109.7 | N654 T659 V660 | N654-V656 PolarHBondContact O-N 2.88Å; N654-V656 PolarHBondContact OD1-N 3.32Å; V656-T659 PolarHBondContact O-N 2.81Å; V656-V660 HydrophobicContact CG1-CG2 4.14Å; V656-V660 VanDerWaalsContact O-CB 3.27Å; V656-V660 WeakPolarHBondContact O-CB 3.42Å; V656-V660 WeakPolarHBondContact O-CG2 3.42Å; V656-V660 PolarHBondContact O-N 2.95Å |
| 657 | M | 72.4 | Confident | 68.9 | Low | 77 Ų | 77 | 77.9 Ų | 77.9 | 38% | 0.379 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -68.2 | -37.9 | -177.3 | -76 | -60 | -60.1 | 0 | 0 | 113.6 | F649 N654 V660 A661 | F649-M657 HydrophobicContact CD1-CB 4.2Å; F649-M657 HydrophobicContact CE1-CB 4.31Å; F649-M657 HydrophobicContact CE1-CE 4.36Å; F649-M657 HydrophobicContact CZ-CE 4.16Å; N654-M657 HydrophobicContact CB-CB 4.21Å; N654-M657 WeakPolarHBondContact ND2-CG 3.42Å; N654-M657 PolarHBondContact O-N 3.42Å; N654-M657 WeakPolarHBondContact OD1-CB 3.39Å; N654-M657 WeakPolarHBondContact OD1-CG 3.24Å; N654-M657 PolarHBondContact OD1-N 3.18Å; M657-V660 PolarHBondContact O-N 3.19Å; M657-A661 VanDerWaalsContact O-CB 3.22Å; M657-A661 WeakPolarHBondContact O-CB 3.35Å; M657-A661 PolarHBondContact O-N 3.11Å |
| 658 | S | 73.4 | Confident | 69.7 | Low | 46 Ų | 46 | 80.8 Ų | 80.8 | 32% | 0.322 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 174.8 | 58.8 | 0 | 0 | 0 | 0 | 111.6 | N654 P655 F662 | N654-S658 PolarHBondContact O-N 3.21Å; N654-S658 VanDerWaalsContact O-N 3.15Å; N654-S658 PolarHBondContact O-OG 3.26Å; P655-S658 PolarHBondContact O-OG 3.37Å; S658-F662 WeakPolarHBondContact O-CB 3.34Å; S658-F662 PolarHBondContact O-N 3.08Å; S658-F662 VanDerWaalsContact O-N 3.11Å |
| 659 | T | 78.3 | Confident | 70.7 | Confident | 74 Ų | 74 | 81.5 Ų | 81.5 | 45% | 0.454 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66 | -43.1 | 175.3 | -56.9 | 0 | 0 | 0 | 0 | 112.1 | P655 V656 F662 L663 | P655-T659 WeakPolarHBondContact O-CB 3.31Å; P655-T659 PolarHBondContact O-N 2.93Å; P655-T659 PolarHBondContact O-OG1 2.92Å; V656-T659 PolarHBondContact O-N 2.81Å; T659-F662 PolarHBondContact O-N 3.3Å; T659-L663 HydrophobicContact CG2-CD1 3.89Å; T659-L663 HydrophobicContact CG2-CG 4.33Å; T659-L663 WeakPolarHBondContact O-CB 3.44Å; T659-L663 VanDerWaalsContact O-CG 3.3Å; T659-L663 WeakPolarHBondContact O-CG 3.42Å; T659-L663 PolarHBondContact O-N 2.91Å |
| 660 | V | 75.8 | Confident | 71.5 | Confident | 61 Ų | 61 | 87.7 Ų | 87.7 | 37% | 0.37 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.8 | -41.7 | 178.7 | 166.8 | 0 | 0 | 0 | 0 | 111.3 | V656 M657 F662 L663 A664 | V656-V660 HydrophobicContact CG1-CG2 4.14Å; V656-V660 VanDerWaalsContact O-CB 3.27Å; V656-V660 WeakPolarHBondContact O-CB 3.42Å; V656-V660 WeakPolarHBondContact O-CG2 3.42Å; V656-V660 PolarHBondContact O-N 2.95Å; M657-V660 PolarHBondContact O-N 3.19Å; V660-F662 PolarHBondContact O-N 2.92Å; V660-L663 PolarHBondContact O-N 3.23Å; V660-A664 WeakPolarHBondContact O-CB 3.33Å; V660-A664 PolarHBondContact O-N 3.27Å |
| 661 | A | 73.8 | Confident | 72.8 | Confident | 23 Ų | 23 | 86.7 Ų | 86.7 | 19% | 0.19 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | P641 F649 M657 A664 S665 | P641-A661 HydrophobicContact CG-CB 4.12Å; F649-A661 HydrophobicContact CD2-CB 4.11Å; F649-A661 HydrophobicContact CE2-CB 4.25Å; M657-A661 VanDerWaalsContact O-CB 3.22Å; M657-A661 WeakPolarHBondContact O-CB 3.35Å; M657-A661 PolarHBondContact O-N 3.11Å; A661-A664 PolarHBondContact O-N 3.31Å; A661-S665 PolarHBondContact O-N 2.93Å |
| 662 | F | 73.7 | Confident | 74.2 | Confident | 131 Ų | 131 | 79.4 Ų | 79.4 | 58% | 0.575 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -64.2 | -43.9 | 174.5 | 179.7 | -99.1 | 0 | 0 | 0 | 112.4 | S658 T659 V660 A664 S665 V666 | S658-F662 WeakPolarHBondContact O-CB 3.34Å; S658-F662 PolarHBondContact O-N 3.08Å; S658-F662 VanDerWaalsContact O-N 3.11Å; T659-F662 PolarHBondContact O-N 3.3Å; V660-F662 PolarHBondContact O-N 2.92Å; F662-A664 VanDerWaalsContact C-N 3.35Å; F662-S665 PolarHBondContact O-OG 2.84Å; F662-S665 VanDerWaalsContact O-OG 3.11Å; F662-V666 HydrophobicContact CE1-CG2 4.25Å; F662-V666 HydrophobicContact CZ-CG2 4.31Å; F662-V666 WeakPolarHBondContact O-CB 3.49Å; F662-V666 WeakPolarHBondContact O-CG2 3.23Å; F662-V666 PolarHBondContact O-N 3.19Å |
| 663 | L | 77.5 | Confident | 75.5 | Confident | 39 Ų | 39 | 79.9 Ų | 79.9 | 20% | 0.204 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -70.2 | -28.6 | 178 | -72 | 177.1 | 0 | 0 | 0 | 113 | T659 V660 V666 V667 A789 | T659-L663 HydrophobicContact CG2-CD1 3.89Å; T659-L663 HydrophobicContact CG2-CG 4.33Å; T659-L663 WeakPolarHBondContact O-CB 3.44Å; T659-L663 VanDerWaalsContact O-CG 3.3Å; T659-L663 WeakPolarHBondContact O-CG 3.42Å; T659-L663 PolarHBondContact O-N 2.91Å; V660-L663 PolarHBondContact O-N 3.23Å; L663-V666 HydrophobicContact CD2-CG1 4.33Å; L663-V666 WeakPolarHBondContact O-CB 3.43Å; L663-V666 PolarHBondContact O-N 2.81Å; L663-V667 WeakPolarHBondContact O-CG2 3.46Å; L663-A789 HydrophobicContact CD1-CB 3.96Å |
| 664 | A | 75.8 | Confident | 76.9 | Confident | 66 Ų | 66 | 73.2 Ų | 73.2 | 55% | 0.545 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -71.9 | -44.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | V660 A661 F662 V666 V667 | V660-A664 WeakPolarHBondContact O-CB 3.33Å; V660-A664 PolarHBondContact O-N 3.27Å; A661-A664 PolarHBondContact O-N 3.31Å; F662-A664 VanDerWaalsContact C-N 3.35Å; A664-V666 PolarHBondContact O-N 2.78Å; A664-V666 VanDerWaalsContact O-N 3.14Å; A664-V667 PolarHBondContact O-N 3.04Å |
| 665 | S | 71.8 | Confident | 77.4 | Confident | 56 Ų | 56 | 72 Ų | 72 | 39% | 0.392 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -14.2 | 173.5 | 68.3 | 0 | 0 | 0 | 0 | 113.4 | G640 P641 A661 F662 | G640-S665 VanDerWaalsContact CA-CB 3.5Å; P641-S665 WeakPolarHBondContact CD-OG 3.27Å; A661-S665 PolarHBondContact O-N 2.93Å; F662-S665 PolarHBondContact O-OG 2.84Å; F662-S665 VanDerWaalsContact O-OG 3.11Å |
| 666 | V | 75.9 | Confident | 77.7 | Confident | 34 Ų | 34 | 70.3 Ų | 70.3 | 21% | 0.206 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -9.8 | -173.2 | 137.2 | 0 | 0 | 0 | 0 | 112.6 | F662 L663 A664 K796 | F662-V666 HydrophobicContact CE1-CG2 4.25Å; F662-V666 HydrophobicContact CZ-CG2 4.31Å; F662-V666 WeakPolarHBondContact O-CB 3.49Å; F662-V666 WeakPolarHBondContact O-CG2 3.23Å; F662-V666 PolarHBondContact O-N 3.19Å; L663-V666 HydrophobicContact CD2-CG1 4.33Å; L663-V666 WeakPolarHBondContact O-CB 3.43Å; L663-V666 PolarHBondContact O-N 2.81Å; A664-V666 PolarHBondContact O-N 2.78Å; A664-V666 VanDerWaalsContact O-N 3.14Å; V666-K796 HydrophobicContact CG1-CD 3.56Å; V666-K796 PolarHBondContact O-NZ 2.86Å |
| 667 | V | 78.5 | Confident | 78.1 | Confident | 28 Ų | 28 | 71.8 Ų | 71.8 | 17% | 0.17 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -120.5 | 144.6 | -174.5 | 177.9 | 0 | 0 | 0 | 0 | 111.2 | L663 A664 V671 A672 S792 | L663-V667 WeakPolarHBondContact O-CG2 3.46Å; A664-V667 PolarHBondContact O-N 3.04Å; V667-V671 HydrophobicContact CG1-CB 3.95Å; V667-V671 HydrophobicContact CG1-CG1 4.11Å; V667-A672 HydrophobicContact CG1-CB 4.15Å; V667-S792 WeakPolarHBondContact CG2-OG 3.47Å |
| 668 | D | 77.8 | Confident | 78.6 | Confident | 87 Ų | 87 | 70.5 Ų | 70.5 | 47% | 0.465 | 43% | 0.427 | S | S | . | . | trans | -66.2 | 129.7 | 171.1 | -176.9 | -60.5 | 0 | 0 | 0 | 110.4 | R670 V671 A672 | D668-R670 PolarHBondContact O-N 3.06Å; D668-R670 WeakPolarHBondContact OD1-CB 3.48Å; D668-R670 VanDerWaalsContact OD1-CG 3.27Å; D668-R670 WeakPolarHBondContact OD1-CG 3.49Å; D668-R670 PolarHBondContact OD1-N 3.32Å; D668-V671 HydrophobicContact CB-CG2 4.18Å; D668-V671 WeakPolarHBondContact O-CB 3.49Å; D668-V671 PolarHBondContact O-N 3.24Å; D668-A672 PolarHBondContact O-N 3.03Å; D668-A672 VanDerWaalsContact O-N 3.08Å | ||
| 669 | P | 80.2 | Confident | 79 | Confident | 104 Ų | 104 | 70.2 Ų | 70.2 | 68% | 0.675 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -52.4 | -26.8 | -179.1 | -30 | 36.2 | 0 | 0 | 0 | 115.4 | S673 | P669-S673 WeakPolarHBondContact O-CB 3.41Å; P669-S673 PolarHBondContact O-N 3.19Å; P669-S673 PolarHBondContact O-OG 2.96Å |
| 670 | R | 80.3 | Confident | 79.1 | Confident | 203 Ų | 203 | 72.1 Ų | 72.1 | 77% | 0.766 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -72.9 | -34.6 | 176.4 | -56.4 | 170 | 179.2 | -162.7 | -0.3 | 112.3 | D668 S673 A674 | D668-R670 PolarHBondContact O-N 3.06Å; D668-R670 WeakPolarHBondContact OD1-CB 3.48Å; D668-R670 VanDerWaalsContact OD1-CG 3.27Å; D668-R670 WeakPolarHBondContact OD1-CG 3.49Å; D668-R670 PolarHBondContact OD1-N 3.32Å; R670-S673 PolarHBondContact O-OG 3.3Å; R670-A674 VanDerWaalsContact O-CB 3.28Å; R670-A674 WeakPolarHBondContact O-CB 3.24Å; R670-A674 PolarHBondContact O-N 3.48Å; R670-A674 VanDerWaalsContact O-N 3.08Å |
| 671 | V | 83.7 | Confident | 79.3 | Confident | 73 Ų | 73 | 73.9 Ų | 73.9 | 44% | 0.442 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -73.3 | -42.5 | 174.9 | 178.4 | 0 | 0 | 0 | 0 | 109.5 | V667 D668 A674 A675 | V667-V671 HydrophobicContact CG1-CB 3.95Å; V667-V671 HydrophobicContact CG1-CG1 4.11Å; D668-V671 HydrophobicContact CB-CG2 4.18Å; D668-V671 WeakPolarHBondContact O-CB 3.49Å; D668-V671 PolarHBondContact O-N 3.24Å; V671-A674 PolarHBondContact O-N 2.88Å; V671-A675 WeakPolarHBondContact O-CB 3.38Å; V671-A675 PolarHBondContact O-N 3.29Å |
| 672 | A | 82.3 | Confident | 79.6 | Confident | 49 Ų | 49 | 78 Ų | 78 | 41% | 0.405 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.2 | -46.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V667 D668 A675 A676 | V667-A672 HydrophobicContact CG1-CB 4.15Å; D668-A672 PolarHBondContact O-N 3.03Å; D668-A672 VanDerWaalsContact O-N 3.08Å; A672-A675 PolarHBondContact O-N 2.94Å; A672-A676 VanDerWaalsContact O-CB 3.3Å; A672-A676 WeakPolarHBondContact O-CB 3.45Å; A672-A676 PolarHBondContact O-N 3.23Å |
| 673 | S | 79.1 | Confident | 79.6 | Confident | 73 Ų | 73 | 76.2 Ų | 76.2 | 51% | 0.51 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -68.2 | -36.6 | 179 | 67.4 | 0 | 0 | 0 | 0 | 113.3 | P669 R670 K677 | P669-S673 WeakPolarHBondContact O-CB 3.41Å; P669-S673 PolarHBondContact O-N 3.19Å; P669-S673 PolarHBondContact O-OG 2.96Å; R670-S673 PolarHBondContact O-OG 3.3Å; S673-K677 VanDerWaalsContact O-CB 3.25Å; S673-K677 WeakPolarHBondContact O-CB 3.36Å; S673-K677 PolarHBondContact O-N 3.01Å |
| 674 | A | 83.1 | Confident | 79.5 | Confident | 60 Ų | 60 | 77.2 Ų | 77.2 | 50% | 0.496 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66 | -42.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R670 V671 A678 | R670-A674 VanDerWaalsContact O-CB 3.28Å; R670-A674 WeakPolarHBondContact O-CB 3.24Å; R670-A674 PolarHBondContact O-N 3.48Å; R670-A674 VanDerWaalsContact O-N 3.08Å; V671-A674 PolarHBondContact O-N 2.88Å; A674-A678 WeakPolarHBondContact O-CB 3.02Å; A674-A678 PolarHBondContact O-N 2.97Å |
| 675 | A | 79.8 | Confident | 79.5 | Confident | 48 Ų | 48 | 81 Ų | 81 | 40% | 0.397 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.2 | -45.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | V671 A672 K677 A678 A679 | V671-A675 WeakPolarHBondContact O-CB 3.38Å; V671-A675 PolarHBondContact O-N 3.29Å; A672-A675 PolarHBondContact O-N 2.94Å; A675-K677 PolarHBondContact O-N 3.33Å; A675-A678 PolarHBondContact O-N 2.92Å; A675-A679 WeakPolarHBondContact O-CB 3.47Å; A675-A679 PolarHBondContact O-N 3.38Å |
| 676 | A | 82.4 | Confident | 79.3 | Confident | 52 Ų | 52 | 81.3 Ų | 81.3 | 43% | 0.43 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A672 A679 L680 | A672-A676 VanDerWaalsContact O-CB 3.3Å; A672-A676 WeakPolarHBondContact O-CB 3.45Å; A672-A676 PolarHBondContact O-N 3.23Å; A676-A679 PolarHBondContact O-N 2.96Å; A676-L680 WeakPolarHBondContact O-CG 3.32Å; A676-L680 PolarHBondContact O-N 3.39Å |
| 677 | K | 84.4 | Confident | 78.7 | Confident | 123 Ų | 123 | 85 Ų | 85 | 54% | 0.535 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.2 | -48.9 | 175.5 | 178.7 | 175.6 | 170.6 | 178.4 | 0 | 111.8 | S673 A675 A679 L680 E681 | S673-K677 VanDerWaalsContact O-CB 3.25Å; S673-K677 WeakPolarHBondContact O-CB 3.36Å; S673-K677 PolarHBondContact O-N 3.01Å; A675-K677 PolarHBondContact O-N 3.33Å; K677-A679 VanDerWaalsContact C-N 3.32Å; K677-A679 PolarHBondContact O-N 2.92Å; K677-L680 PolarHBondContact O-N 3.18Å; K677-E681 WeakPolarHBondContact CE-OE1 3.4Å; K677-E681 HydrophobicContact CG-CG 4.44Å; K677-E681 IonicContact NZ-OE1 3.6Å; K677-E681 PolarHBondContact NZ-OE1 3.46Å; K677-E681 WeakPolarHBondContact O-CG 3.46Å; K677-E681 PolarHBondContact O-N 3.44Å |
| 678 | A | 82.6 | Confident | 77.8 | Confident | 51 Ų | 51 | 89.3 Ų | 89.3 | 42% | 0.421 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.2 | -37.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A674 A675 E681 E682 | A674-A678 WeakPolarHBondContact O-CB 3.02Å; A674-A678 PolarHBondContact O-N 2.97Å; A675-A678 PolarHBondContact O-N 2.92Å; A678-E681 PolarHBondContact O-N 3.35Å; A678-E682 PolarHBondContact O-N 2.87Å; A678-E682 VanDerWaalsContact O-N 3.15Å |
| 679 | A | 81.4 | Confident | 76.8 | Confident | 39 Ų | 39 | 90.3 Ų | 90.3 | 32% | 0.322 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.6 | -40.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A675 A676 K677 F683 T784 | A675-A679 WeakPolarHBondContact O-CB 3.47Å; A675-A679 PolarHBondContact O-N 3.38Å; A676-A679 PolarHBondContact O-N 2.96Å; K677-A679 VanDerWaalsContact C-N 3.32Å; K677-A679 PolarHBondContact O-N 2.92Å; A679-F683 WeakPolarHBondContact O-CB 3.32Å; A679-F683 PolarHBondContact O-N 3.04Å; A679-T784 HydrophobicContact CB-CG2 4.47Å |
| 680 | L | 80.9 | Confident | 75.5 | Confident | 114 Ų | 114 | 89 Ų | 89 | 60% | 0.597 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -68 | -40.2 | 175.7 | -71.7 | 167.9 | 0 | 0 | 0 | 112.5 | A676 K677 E682 F683 S684 | A676-L680 WeakPolarHBondContact O-CG 3.32Å; A676-L680 PolarHBondContact O-N 3.39Å; K677-L680 PolarHBondContact O-N 3.18Å; L680-E682 PolarHBondContact O-N 3.23Å; L680-F683 PolarHBondContact O-N 3.46Å; L680-S684 PolarHBondContact O-N 2.99Å; L680-S684 PolarHBondContact O-OG 2.84Å |
| 681 | E | 80.4 | Confident | 73.9 | Confident | 99 Ų | 99 | 85 Ų | 85 | 46% | 0.463 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 177.3 | -74.7 | 179 | 156.4 | 0 | 0 | 112.2 | K677 A678 R685 | K677-E681 WeakPolarHBondContact CE-OE1 3.4Å; K677-E681 HydrophobicContact CG-CG 4.44Å; K677-E681 IonicContact NZ-OE1 3.6Å; K677-E681 PolarHBondContact NZ-OE1 3.46Å; K677-E681 WeakPolarHBondContact O-CG 3.46Å; K677-E681 PolarHBondContact O-N 3.44Å; A678-E681 PolarHBondContact O-N 3.35Å; E681-R685 WeakPolarHBondContact O-CG 3.48Å; E681-R685 PolarHBondContact O-N 2.96Å |
| 682 | E | 79.3 | Confident | 72.4 | Confident | 108 Ų | 108 | 90.1 Ų | 90.1 | 51% | 0.505 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -74.5 | -34.1 | 172.8 | -71.9 | -61.8 | 127.6 | 0 | 0 | 113 | A678 L680 R685 A686 | A678-E682 PolarHBondContact O-N 2.87Å; A678-E682 VanDerWaalsContact O-N 3.15Å; L680-E682 PolarHBondContact O-N 3.23Å; E682-R685 PolarHBondContact O-N 2.87Å; E682-R685 WeakPolarHBondContact OE1-CD 3Å; E682-R685 IonicContact OE1-CZ 3.49Å; E682-R685 IonicContact OE1-NE 3.71Å; E682-R685 IonicContact OE1-NH1 3.91Å; E682-R685 PolarHBondContact OE1-NH1 3.12Å; E682-A686 PolarHBondContact O-N 2.95Å |
| 683 | F | 74.3 | Confident | 70.7 | Confident | 95 Ų | 95 | 96.2 Ų | 96.2 | 42% | 0.417 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 175.1 | -172.7 | -91.6 | 0 | 0 | 0 | 111.9 | A679 L680 R685 A686 Q687 | A679-F683 WeakPolarHBondContact O-CB 3.32Å; A679-F683 PolarHBondContact O-N 3.04Å; L680-F683 PolarHBondContact O-N 3.46Å; F683-R685 PolarHBondContact O-N 2.99Å; F683-A686 PolarHBondContact O-N 2.73Å; F683-Q687 PolarHBondContact O-N 3.33Å |
| 684 | S | 76.2 | Confident | 69 | Low | 60 Ų | 60 | 98.5 Ų | 98.5 | 42% | 0.42 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 173.3 | -67.5 | 0 | 0 | 0 | 0 | 112.2 | L680 Q687 E688 | L680-S684 PolarHBondContact O-N 2.99Å; L680-S684 PolarHBondContact O-OG 2.84Å; S684-Q687 WeakPolarHBondContact O-CB 3.5Å; S684-Q687 PolarHBondContact O-N 3.06Å; S684-E688 WeakPolarHBondContact O-CG 3.39Å; S684-E688 PolarHBondContact O-N 2.9Å |
| 685 | R | 75.4 | Confident | 66.9 | Low | 146 Ų | 146 | 100 Ų | 100 | 55% | 0.551 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.7 | -44.7 | 175 | -73.7 | 169.8 | 170.7 | 177.7 | -2.4 | 112.5 | E681 E682 F683 Q687 E688 D689 | E681-R685 WeakPolarHBondContact O-CG 3.48Å; E681-R685 PolarHBondContact O-N 2.96Å; E682-R685 PolarHBondContact O-N 2.87Å; E682-R685 WeakPolarHBondContact OE1-CD 3Å; E682-R685 IonicContact OE1-CZ 3.49Å; E682-R685 IonicContact OE1-NE 3.71Å; E682-R685 IonicContact OE1-NH1 3.91Å; E682-R685 PolarHBondContact OE1-NH1 3.12Å; F683-R685 PolarHBondContact O-N 2.99Å; R685-Q687 PolarHBondContact O-N 3.49Å; R685-E688 PolarHBondContact O-N 3.4Å; R685-D689 PolarHBondContact O-N 2.84Å |
| 686 | A | 67.7 | Low | 64.6 | Low | 61 Ų | 61 | 103.7 Ų | 103.7 | 50% | 0.504 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.2 | -32.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E682 F683 S690 | E682-A686 PolarHBondContact O-N 2.95Å; F683-A686 PolarHBondContact O-N 2.73Å; A686-S690 WeakPolarHBondContact O-CB 3.39Å; A686-S690 PolarHBondContact O-N 3.47Å; A686-S690 VanDerWaalsContact O-N 3.07Å |
| 687 | Q | 63.4 | Low | 62.7 | Low | 113 Ų | 113 | 107.5 Ų | 107.5 | 53% | 0.528 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -70.2 | -40.3 | 173.8 | -170.4 | 173 | 49.3 | 0 | 0 | 112.2 | F683 S684 R685 S690 L691 | F683-Q687 PolarHBondContact O-N 3.33Å; S684-Q687 WeakPolarHBondContact O-CB 3.5Å; S684-Q687 PolarHBondContact O-N 3.06Å; R685-Q687 PolarHBondContact O-N 3.49Å; Q687-S690 WeakPolarHBondContact O-CB 3.14Å; Q687-S690 PolarHBondContact O-N 2.87Å; Q687-L691 PolarHBondContact O-N 3.49Å |
| 688 | E | 59.5 | Low | 60.3 | Low | 117 Ų | 117 | 105.4 Ų | 105.4 | 55% | 0.547 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.3 | -47.4 | 173.1 | -70.1 | 175.7 | 166.2 | 0 | 0 | 111.6 | S684 R685 S690 L691 Y692 | S684-E688 WeakPolarHBondContact O-CG 3.39Å; S684-E688 PolarHBondContact O-N 2.9Å; R685-E688 PolarHBondContact O-N 3.4Å; E688-S690 PolarHBondContact O-N 3.01Å; E688-L691 WeakPolarHBondContact O-CB 3.37Å; E688-L691 PolarHBondContact O-N 3.3Å; E688-L691 VanDerWaalsContact O-N 3.15Å; E688-Y692 WeakPolarHBondContact O-CD2 3.46Å; E688-Y692 PolarHBondContact O-N 3.38Å |
| 689 | D | 55.5 | Low | 57.9 | Low | 109 Ų | 109 | 110.7 Ų | 110.7 | 58% | 0.583 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -60.9 | -30.8 | 175.4 | -89.8 | -9.3 | 0 | 0 | 0 | 113.2 | R685 K693 | R685-D689 PolarHBondContact O-N 2.84Å; D689-K693 PolarHBondContact O-N 2.8Å |
| 690 | S | 52.8 | Low | 55.7 | Low | 75 Ų | 75 | 118.3 Ų | 118.3 | 52% | 0.524 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -67.5 | -42.8 | 174.9 | -167.8 | 0 | 0 | 0 | 0 | 111.7 | A686 Q687 E688 Y692 K693 | A686-S690 WeakPolarHBondContact O-CB 3.39Å; A686-S690 PolarHBondContact O-N 3.47Å; A686-S690 VanDerWaalsContact O-N 3.07Å; Q687-S690 WeakPolarHBondContact O-CB 3.14Å; Q687-S690 PolarHBondContact O-N 2.87Å; E688-S690 PolarHBondContact O-N 3.01Å; S690-Y692 VanDerWaalsContact C-N 3.35Å; S690-Y692 PolarHBondContact O-N 3.38Å; S690-K693 PolarHBondContact O-N 3.2Å |
| 691 | L | 47.7 | Very low | 53.3 | Low | 121 Ų | 121 | 117.2 Ų | 117.2 | 63% | 0.634 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -61.1 | -42 | 176.4 | -75 | 159.3 | 0 | 0 | 0 | 111.7 | Q687 E688 K693 T694 | Q687-L691 PolarHBondContact O-N 3.49Å; E688-L691 WeakPolarHBondContact O-CB 3.37Å; E688-L691 PolarHBondContact O-N 3.3Å; E688-L691 VanDerWaalsContact O-N 3.15Å; L691-K693 VanDerWaalsContact C-N 3.26Å; L691-K693 PolarHBondContact O-N 2.92Å; L691-T694 PolarHBondContact O-N 2.94Å; L691-T694 PolarHBondContact O-OG1 3.35Å |
| 692 | Y | 51.4 | Low | 51 | Low | 179 Ų | 179 | 121.4 Ų | 121.4 | 70% | 0.702 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -66.5 | -21 | 178.7 | -75.5 | -66.5 | 0 | 0 | 0 | 114.6 | E688 S690 T694 S695 | E688-Y692 WeakPolarHBondContact O-CD2 3.46Å; E688-Y692 PolarHBondContact O-N 3.38Å; S690-Y692 VanDerWaalsContact C-N 3.35Å; S690-Y692 PolarHBondContact O-N 3.38Å; Y692-T694 VanDerWaalsContact C-N 3.26Å; Y692-T694 PolarHBondContact O-N 2.94Å; Y692-S695 PolarHBondContact O-OG 3.15Å |
| 693 | K | 46.8 | Very low | 48.6 | Very low | 177 Ų | 177 | 124.9 Ų | 124.9 | 77% | 0.77 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -7.6 | 176.5 | -78.2 | 174.2 | 179.6 | 166.6 | 0 | 114.5 | D689 S690 L691 S695 | D689-K693 PolarHBondContact O-N 2.8Å; S690-K693 PolarHBondContact O-N 3.2Å; L691-K693 VanDerWaalsContact C-N 3.26Å; L691-K693 PolarHBondContact O-N 2.92Å; K693-S695 VanDerWaalsContact C-N 3.32Å; K693-S695 PolarHBondContact O-N 3.3Å |
| 694 | T | 44.3 | Very low | 46.4 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 75% | 0.748 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -0.6 | -178.4 | 62.8 | 0 | 0 | 0 | 0 | 114.3 | L691 Y692 | L691-T694 PolarHBondContact O-N 2.94Å; L691-T694 PolarHBondContact O-OG1 3.35Å; Y692-T694 VanDerWaalsContact C-N 3.26Å; Y692-T694 PolarHBondContact O-N 2.94Å |
| 695 | S | 38.8 | Very low | 44.1 | Very low | 90 Ų | 90 | 132.8 Ų | 132.8 | 63% | 0.629 | 70% | 0.696 | S | S | * | * | trans | -110.4 | 23.3 | -168.5 | 69.7 | 0 | 0 | 0 | 0 | 116.7 | Y692 K693 | Y692-S695 PolarHBondContact O-OG 3.15Å; K693-S695 VanDerWaalsContact C-N 3.32Å; K693-S695 PolarHBondContact O-N 3.3Å | ||
| 696 | D | 31.3 | Very low | 41.7 | Very low | 127 Ų | 127 | 130.8 Ų | 130.8 | 68% | 0.679 | 71% | 0.71 | S | S | * | * | trans | -121.2 | 94.6 | 174.2 | -164 | -20.9 | 0 | 0 | 0 | 112.2 | S698 | D696-S698 PolarHBondContact O-N 3.04Å; D696-S698 PolarHBondContact OD1-OG 3.18Å | ||
| 697 | P | 42 | Very low | 39.9 | Very low | 132 Ų | 132 | 136.9 Ų | 136.9 | 86% | 0.857 | 73% | 0.731 | S | S | * | * | trans | -91.5 | 60.7 | -172.9 | 37 | -35.9 | 0 | 0 | 0 | 112.4 | ||||
| 698 | S | 35.4 | Very low | 38.2 | Very low | 79 Ų | 79 | 140.7 Ų | 140.7 | 55% | 0.552 | 75% | 0.748 | S | S | * | * | trans | -143 | 52.4 | -174.5 | 68.5 | 0 | 0 | 0 | 0 | 117.8 | D696 | D696-S698 PolarHBondContact O-N 3.04Å; D696-S698 PolarHBondContact OD1-OG 3.18Å | ||
| 699 | N | 32.1 | Very low | 36.7 | Very low | 162 Ų | 162 | 139.3 Ų | 139.3 | 87% | 0.866 | 76% | 0.757 | S | S | * | * | trans | -170.7 | 118.7 | 137.7 | -96.8 | -34 | 0 | 0 | 0 | 113.3 | ||||
| 700 | Q | 34.2 | Very low | 35.5 | Very low | 199 Ų | 199 | 141.1 Ų | 141.1 | 93% | 0.93 | 76% | 0.762 | S | S | * | * | trans | -120.4 | 116.7 | 158.3 | -77.1 | -173.8 | -2.5 | 0 | 0 | 108.8 | ||||
| 701 | S | 30.5 | Very low | 34.3 | Very low | 91 Ų | 91 | 146.8 Ų | 146.8 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | trans | -165.8 | 116.3 | 155.8 | 57.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 702 | E | 32.1 | Very low | 33.4 | Very low | 187 Ų | 187 | 148.6 Ų | 148.6 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | 62.8 | 137.6 | 158.3 | -62.3 | 151.1 | -138.6 | 0 | 0 | 115.6 | ||||
| 703 | Q | 29.5 | Very low | 32.1 | Very low | 181 Ų | 181 | 147.2 Ų | 147.2 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | cis | -156.7 | 133.3 | 30.6 | -170.9 | 164.4 | 16.6 | 0 | 0 | 110.5 | ||||
| 704 | M | 28.1 | Very low | 31.2 | Very low | 168 Ų | 168 | 143 Ų | 143 | 83% | 0.828 | 78% | 0.779 | S | S | * | * | trans | -83.6 | 128.1 | 157.2 | -74.1 | 167.4 | 52.5 | 0 | 0 | 108.1 | ||||
| 705 | D | 26.8 | Very low | 30.3 | Very low | 153 Ų | 153 | 142.8 Ų | 142.8 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | 167.8 | 171.9 | 135.4 | -88.9 | -17.4 | 0 | 0 | 0 | 111.8 | ||||
| 706 | A | 26.8 | Very low | 29.8 | Very low | 104 Ų | 104 | 143.9 Ų | 143.9 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | 70.3 | 64.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 707 | M | 29.8 | Very low | 29.7 | Very low | 189 Ų | 189 | 145.5 Ų | 145.5 | 93% | 0.931 | 80% | 0.798 | S | S | * | * | trans | -88.3 | 108.9 | 145.4 | 168.7 | -176.5 | 167.5 | 0 | 0 | 108.9 | ||||
| 708 | E | 27.5 | Very low | 29.1 | Very low | 193 Ų | 193 | 148.2 Ų | 148.2 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | -169.8 | 167.8 | 153.7 | -124 | -179.5 | -168.7 | 0 | 0 | 115.2 | ||||
| 709 | A | 28.4 | Very low | 28.9 | Very low | 87 Ų | 87 | 150.2 Ų | 150.2 | 72% | 0.719 | 81% | 0.808 | S | S | * | * | trans | 84.3 | 112.3 | 157.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 710 | E | 28.8 | Very low | 28.8 | Very low | 148 Ų | 148 | 148.2 Ų | 148.2 | 69% | 0.692 | 80% | 0.803 | S | S | * | * | trans | 65.1 | 99.9 | 133.8 | -63.8 | -63.4 | 93.4 | 0 | 0 | 122.7 | ||||
| 711 | R | 27.8 | Very low | 28.5 | Very low | 194 Ų | 194 | 144.1 Ų | 144.1 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | 40.4 | 134.7 | 106.9 | -75.6 | 178.8 | 163.9 | 165.6 | -5.2 | 121.6 | |||||
| 712 | L | 28.8 | Very low | 28.4 | Very low | 159 Ų | 159 | 151.3 Ų | 151.3 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | 58.9 | 126.8 | 141.8 | -57.7 | 167.1 | 0 | 0 | 0 | 117.1 | ||||
| 713 | D | 24.6 | Very low | 28.1 | Very low | 150 Ų | 150 | 149.2 Ų | 149.2 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | -164.4 | -157 | 57.3 | -173 | 17 | 0 | 0 | 0 | 111.3 | |||||
| 714 | S | 27.1 | Very low | 27.9 | Very low | 89 Ų | 89 | 148.4 Ų | 148.4 | 62% | 0.622 | 80% | 0.8 | S | S | * | * | trans | -104.3 | 166 | -152.6 | -54.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 715 | S | 25.4 | Very low | 27.8 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | 71.7 | 139.1 | 162.8 | 82.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 716 | S | 28.1 | Very low | 27.8 | Very low | 112 Ų | 112 | 143.3 Ų | 143.3 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | -162 | 162.8 | 55.5 | 43.6 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 717 | L | 31 | Very low | 27.7 | Very low | 162 Ų | 162 | 147.7 Ų | 147.7 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | trans | -72.8 | 134.3 | 176.9 | -72.4 | 152.9 | 0 | 0 | 0 | 111.9 | ||||
| 718 | Q | 29.3 | Very low | 27.6 | Very low | 188 Ų | 188 | 146.3 Ų | 146.3 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | trans | -161.5 | 130.1 | 136.2 | -114.6 | 145.4 | 105.7 | 0 | 0 | 114.2 | ||||
| 719 | V | 29.5 | Very low | 27.6 | Very low | 122 Ų | 122 | 144.5 Ų | 144.5 | 74% | 0.739 | 78% | 0.781 | S | S | * | * | trans | -94.8 | 140.3 | 165.7 | 175.2 | 0 | 0 | 0 | 0 | 108.3 | V721 | V719-V721 HydrophobicContact CG1-CG2 4.02Š| ||
| 720 | P | 29.9 | Very low | 28.3 | Very low | 120 Ų | 120 | 146 Ų | 146 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | trans | -127.9 | 113.8 | 144.9 | 28.7 | -13.7 | 0 | 0 | 0 | 111.7 | ||||
| 721 | V | 29.6 | Very low | 28.1 | Very low | 113 Ų | 113 | 142.6 Ų | 142.6 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | trans | -68.2 | 140 | 167.1 | 173.4 | 0 | 0 | 0 | 0 | 109.7 | V719 L723 | V719-V721 HydrophobicContact CG1-CG2 4.02Å; V721-L723 HydrophobicContact CG1-CD1 3.93Å | ||
| 722 | R | 27.4 | Very low | 28.1 | Very low | 241 Ų | 241 | 140 Ų | 140 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | trans | -135.5 | 145.6 | 152.6 | -73.3 | -162.4 | 170.2 | -175.7 | -2.2 | 111.2 | ||||
| 723 | L | 25.9 | Very low | 28.4 | Very low | 143 Ų | 143 | 137.8 Ų | 137.8 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | trans | -90.8 | 170.1 | 179.6 | -87.6 | 72.5 | 0 | 0 | 0 | 111.6 | V721 | V721-L723 HydrophobicContact CG1-CD1 3.93Š| ||
| 724 | D | 25.5 | Very low | 28.4 | Very low | 165 Ų | 165 | 140 Ų | 140 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | trans | 109 | 132.9 | 163.1 | -61.2 | -20.5 | 0 | 0 | 0 | 113.6 | ||||
| 725 | G | 26.5 | Very low | 28.6 | Very low | 63 Ų | 63 | 142 Ų | 142 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | cis | 137.3 | 150.3 | 2.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 726 | V | 26.6 | Very low | 28.6 | Very low | 151 Ų | 151 | 144.3 Ų | 144.3 | 92% | 0.915 | 80% | 0.802 | S | S | * | * | trans | 70 | 144.4 | -179.3 | -176.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 727 | K | 25.4 | Very low | 28.5 | Very low | 196 Ų | 196 | 142.1 Ų | 142.1 | 85% | 0.852 | 80% | 0.797 | S | S | * | * | cis | -167.8 | 152.7 | -30 | -175.1 | 175.2 | -177.2 | -176.5 | 0 | 107.2 | ||||
| 728 | M | 27.6 | Very low | 28.3 | Very low | 160 Ų | 160 | 140.7 Ų | 140.7 | 79% | 0.788 | 79% | 0.791 | S | S | * | * | trans | -101.1 | -179.7 | -175.7 | -160.6 | 162.9 | 173.6 | 0 | 0 | 112.9 | ||||
| 729 | E | 26.3 | Very low | 28.2 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | trans | 82.5 | 154.2 | 171.6 | -56.5 | -59.8 | 94.8 | 0 | 0 | 118.1 | ||||
| 730 | P | 43.8 | Very low | 28.1 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | cis | -139.8 | 175.2 | -39.3 | 38.2 | -22.3 | 0 | 0 | 0 | 114.1 | ||||
| 731 | G | 23.5 | Very low | 28.1 | Very low | 77 Ų | 77 | 143.4 Ų | 143.4 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | -177.9 | 95.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 732 | V | 27.9 | Very low | 28 | Very low | 140 Ų | 140 | 147.5 Ų | 147.5 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | trans | -95.7 | 136.9 | 176.9 | 170.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 733 | P | 35.1 | Very low | 28 | Very low | 112 Ų | 112 | 143.1 Ų | 143.1 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | -149.8 | 127.2 | 121.4 | 34 | -15.1 | 0 | 0 | 0 | 117.7 | |||||
| 734 | K | 26 | Very low | 28.1 | Very low | 197 Ų | 197 | 144.8 Ų | 144.8 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | trans | 71.5 | 148.3 | 132.4 | -67 | -170.1 | 171.3 | -168.7 | 0 | 123 | ||||
| 735 | V | 31.1 | Very low | 28.1 | Very low | 132 Ų | 132 | 142.6 Ų | 142.6 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | -116.7 | 141 | 168.2 | 171.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 736 | D | 24.5 | Very low | 28.1 | Very low | 164 Ų | 164 | 148.2 Ų | 148.2 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | trans | -178.1 | 142.6 | 152.5 | -90.5 | -36.2 | 0 | 0 | 0 | 107 | ||||
| 737 | G | 26.3 | Very low | 28.1 | Very low | 66 Ų | 66 | 146.1 Ų | 146.1 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | cis | -175.2 | 146.2 | -8.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 738 | D | 26.3 | Very low | 28.1 | Very low | 132 Ų | 132 | 144 Ų | 144 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | 36.7 | 121.6 | 146.6 | -170.5 | 40.7 | 0 | 0 | 0 | 122.7 | ||||
| 739 | Q | 28.1 | Very low | 28.1 | Very low | 189 Ų | 189 | 143.6 Ų | 143.6 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | -164.6 | 153.2 | 118.9 | -114.8 | 167 | 86 | 0 | 0 | 117.2 | |||||
| 740 | V | 27.9 | Very low | 28 | Very low | 105 Ų | 105 | 140.9 Ų | 140.9 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | trans | -99.3 | 143.1 | -165.9 | 172.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 741 | K | 28.4 | Very low | 27.3 | Very low | 193 Ų | 193 | 143.5 Ų | 143.5 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | trans | -177.7 | 140.1 | 139.1 | -95.4 | 148.9 | -172.6 | 178.6 | 0 | 109.5 | ||||
| 742 | R | 27.3 | Very low | 27.5 | Very low | 199 Ų | 199 | 148.4 Ų | 148.4 | 75% | 0.751 | 78% | 0.779 | S | S | * | * | 67.2 | 133.3 | 54.3 | -75.9 | -177 | 147.7 | 137.4 | -0.9 | 112.8 | |||||
| 743 | E | 28 | Very low | 27.4 | Very low | 149 Ų | 149 | 145.2 Ų | 145.2 | 70% | 0.696 | 77% | 0.774 | S | S | * | * | cis | -158.3 | -171.2 | 5.2 | -134.9 | 147 | -150.6 | 0 | 0 | 112.4 | ||||
| 744 | H | 27.5 | Very low | 27 | Very low | 178 Ų | 178 | 147.3 Ų | 147.3 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | -60.5 | 157.7 | -179.5 | -85.8 | -77.1 | 0 | 0 | 0 | 116.4 | ||||
| 745 | S | 25.4 | Very low | 27.2 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | -163.4 | 138.9 | 128.3 | 58 | 0 | 0 | 0 | 0 | 113 | |||||
| 746 | E | 28 | Very low | 27.1 | Very low | 182 Ų | 182 | 148.1 Ų | 148.1 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | trans | -102.5 | 148.2 | 169.7 | -55.9 | 171.7 | 120.5 | 0 | 0 | 111.5 | ||||
| 747 | S | 25 | Very low | 27.2 | Very low | 106 Ų | 106 | 143.5 Ų | 143.5 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | 178 | 117.2 | 151.1 | 54.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 748 | I | 26.9 | Very low | 27.5 | Very low | 153 Ų | 153 | 149.2 Ų | 149.2 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | 83.5 | 148.2 | 69.9 | -71.7 | 170.8 | 0 | 0 | 0 | 113 | |||||
| 749 | L | 26.4 | Very low | 27.6 | Very low | 151 Ų | 151 | 150.9 Ų | 150.9 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | 86.9 | 143.2 | -174.9 | -51.2 | -175.5 | 0 | 0 | 0 | 115.9 | ||||
| 750 | T | 25.8 | Very low | 27.7 | Very low | 96 Ų | 96 | 145.6 Ų | 145.6 | 59% | 0.589 | 78% | 0.779 | S | S | * | * | cis | 164.2 | 134.4 | -46.4 | 38 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 751 | E | 28.1 | Very low | 27.9 | Very low | 173 Ų | 173 | 149.5 Ų | 149.5 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | trans | 63.9 | 160.3 | 148.6 | -65.9 | 169.4 | 179.1 | 0 | 0 | 117.1 | ||||
| 752 | E | 27.6 | Very low | 27.9 | Very low | 181 Ų | 181 | 146 Ų | 146 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | cis | -156.4 | 175 | -8.4 | -131.4 | -173 | -179.8 | 0 | 0 | 110.7 | ||||
| 753 | G | 26.8 | Very low | 28 | Very low | 72 Ų | 72 | 147.5 Ų | 147.5 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | 87.2 | 125 | 159.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 754 | D | 26.5 | Very low | 28 | Very low | 157 Ų | 157 | 143.8 Ų | 143.8 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | cis | 114.6 | 158.7 | 15.9 | -170.8 | 36.9 | 0 | 0 | 0 | 112.9 | ||||
| 755 | V | 29.7 | Very low | 28.2 | Very low | 98 Ų | 98 | 145.2 Ų | 145.2 | 59% | 0.594 | 80% | 0.795 | S | S | * | * | trans | 87.7 | 94.4 | 164.9 | -165.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 756 | R | 29.1 | Very low | 28.5 | Very low | 247 Ų | 247 | 143.3 Ų | 143.3 | 93% | 0.932 | 80% | 0.795 | S | S | * | * | trans | 58 | 154.6 | 140.1 | -58.6 | 175.7 | 176.8 | -153.7 | -2.9 | 120.3 | ||||
| 757 | G | 27.3 | Very low | 29 | Very low | 68 Ų | 68 | 139.8 Ų | 139.8 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | cis | 156.7 | 151.7 | -7.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 758 | E | 31.7 | Very low | 29.6 | Very low | 185 Ų | 185 | 141.5 Ų | 141.5 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | trans | 61.2 | 106.5 | 163.2 | -63.6 | 176.8 | 151.2 | 0 | 0 | 120.2 | ||||
| 759 | D | 29.4 | Very low | 30.1 | Very low | 167 Ų | 167 | 137.4 Ų | 137.4 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | 54.8 | 129 | 128.1 | -55.3 | -4.4 | 0 | 0 | 0 | 123.3 | |||||
| 760 | G | 29.7 | Very low | 30.7 | Very low | 78 Ų | 78 | 139.7 Ų | 139.7 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 178.7 | 119 | 164.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 761 | E | 30.5 | Very low | 31.4 | Very low | 187 Ų | 187 | 143.5 Ų | 143.5 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | -68.2 | 161.2 | 175.8 | -57.2 | 177.8 | 112.6 | 0 | 0 | 111.3 | ||||
| 762 | N | 28.7 | Very low | 31.7 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | -179.8 | 146.5 | 63 | -160.8 | 10.8 | 0 | 0 | 0 | 113 | |||||
| 763 | R | 30.6 | Very low | 32.3 | Very low | 232 Ų | 232 | 136.4 Ų | 136.4 | 88% | 0.875 | 76% | 0.762 | S | S | * | * | trans | 21.2 | 140 | 156 | -65.7 | 160.7 | -152.1 | -142.6 | -2 | 122.7 | ||||
| 764 | G | 28.3 | Very low | 32.9 | Very low | 71 Ų | 71 | 139.5 Ų | 139.5 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | trans | 160.3 | 100 | 142.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 765 | E | 29.8 | Very low | 33.7 | Very low | 207 Ų | 207 | 138.1 Ų | 138.1 | 97% | 0.967 | 75% | 0.75 | S | S | * | * | trans | 24.7 | 142.6 | 150.4 | -59.8 | 175.6 | 125.3 | 0 | 0 | 122.6 | ||||
| 766 | G | 32.1 | Very low | 34.3 | Very low | 80 Ų | 80 | 139.5 Ų | 139.5 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | trans | 134.3 | 33.8 | 153.6 | 0 | 0 | 0 | 0 | 0 | 120.6 | D768 | G766-D768 PolarHBondContact O-N 2.99Š| ||
| 767 | D | 38.4 | Very low | 35.1 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 58% | 0.578 | 74% | 0.738 | S | S | * | * | trans | -96.1 | 85.1 | 173.7 | -170.8 | 46.1 | 0 | 0 | 0 | 113.1 | ||||
| 768 | D | 37.7 | Very low | 36.2 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | trans | -137.5 | 6.4 | 166.4 | -143.4 | 7.4 | 0 | 0 | 0 | 112.5 | G766 | G766-D768 PolarHBondContact O-N 2.99Š| ||
| 769 | G | 38.8 | Very low | 36.7 | Very low | 67 Ų | 67 | 132.8 Ų | 132.8 | 69% | 0.691 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -97.4 | -13.1 | -178 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 770 | R | 39.2 | Very low | 37.6 | Very low | 199 Ų | 199 | 126.1 Ų | 126.1 | 75% | 0.751 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -86 | -30.8 | -170.8 | -81.3 | -179.3 | 163 | 170.6 | -4.1 | 115.2 | G772 M773 | R770-G772 PolarHBondContact O-N 3.08Å; R770-M773 PolarHBondContact O-N 3.42Å |
| 771 | R | 40.3 | Very low | 38.7 | Very low | 176 Ų | 176 | 125.5 Ų | 125.5 | 66% | 0.664 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -67.6 | -19.1 | -173.8 | -63.4 | -177.4 | -172 | 166.5 | 7.2 | 114.3 | ||
| 772 | G | 33.7 | Very low | 40 | Very low | 52 Ų | 52 | 121.1 Ų | 121.1 | 54% | 0.536 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -68.7 | -42.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R770 E774 | R770-G772 PolarHBondContact O-N 3.08Å; G772-E774 PolarHBondContact O-N 3.19Å |
| 773 | M | 40.2 | Very low | 41 | Very low | 152 Ų | 152 | 119 Ų | 119 | 75% | 0.749 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -79.7 | -15.2 | -176.4 | -73.7 | -178.1 | 168.2 | 0 | 0 | 114.1 | R770 L777 | R770-M773 PolarHBondContact O-N 3.42Å; M773-L777 WeakPolarHBondContact O-CD1 3.33Å; M773-L777 WeakPolarHBondContact O-CG 3.5Å |
| 774 | E | 39.5 | Very low | 42.4 | Very low | 138 Ų | 138 | 110.8 Ų | 110.8 | 65% | 0.645 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -80.5 | -28.6 | -177.5 | -164.5 | 163.4 | -147.7 | 0 | 0 | 112.4 | G772 | G772-E774 PolarHBondContact O-N 3.19Å |
| 775 | L | 43.1 | Very low | 43.7 | Very low | 128 Ų | 128 | 110 Ų | 110 | 67% | 0.67 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -75.4 | -45.4 | -179.8 | -69.2 | 170.4 | 0 | 0 | 0 | 112.8 | L777 V778 E779 | L775-L777 PolarHBondContact O-N 3.46Å; L775-V778 PolarHBondContact O-N 3.19Å; L775-E779 PolarHBondContact O-N 3.16Å |
| 776 | D | 41.4 | Very low | 45.1 | Very low | 127 Ų | 127 | 102.3 Ų | 102.3 | 68% | 0.679 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -58.7 | -32.5 | 177.4 | -73.9 | -0.7 | 0 | 0 | 0 | 112.4 | G780 | D776-G780 PolarHBondContact O-N 2.8Å |
| 777 | L | 46.7 | Very low | 46.5 | Very low | 117 Ų | 117 | 101 Ų | 101 | 61% | 0.613 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -71.2 | -30.5 | 177.5 | -70.9 | 172.8 | 0 | 0 | 0 | 112.9 | M773 L775 | M773-L777 WeakPolarHBondContact O-CD1 3.33Å; M773-L777 WeakPolarHBondContact O-CG 3.5Å; L775-L777 PolarHBondContact O-N 3.46Å |
| 778 | V | 49.6 | Very low | 47.6 | Very low | 87 Ų | 87 | 98.1 Ų | 98.1 | 53% | 0.527 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -71.8 | -44.5 | 176.9 | 174.4 | 0 | 0 | 0 | 0 | 110.5 | L775 G780 S781 | L775-V778 PolarHBondContact O-N 3.19Å; V778-G780 VanDerWaalsContact C-N 3.3Å; V778-G780 PolarHBondContact O-N 3.18Å; V778-S781 WeakPolarHBondContact O-CB 3.08Å; V778-S781 PolarHBondContact O-N 3.47Å; V778-S781 PolarHBondContact O-OG 2.96Å |
| 779 | E | 43.2 | Very low | 48.9 | Very low | 155 Ų | 155 | 92.6 Ų | 92.6 | 72% | 0.724 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.8 | -29.4 | -177.5 | -167 | 163.9 | -137.2 | 0 | 0 | 112.8 | L775 P783 | L775-E779 PolarHBondContact O-N 3.16Å; E779-P783 WeakPolarHBondContact O-CD 3.49Å; E779-P783 WeakPolarHBondContact O-CG 3.47Å |
| 780 | G | 47.8 | Very low | 50.4 | Low | 27 Ų | 27 | 95.4 Ų | 95.4 | 28% | 0.278 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -71.3 | -23 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D776 V778 T784 | D776-G780 PolarHBondContact O-N 2.8Å; V778-G780 VanDerWaalsContact C-N 3.3Å; V778-G780 PolarHBondContact O-N 3.18Å; G780-T784 PolarHBondContact O-OG1 2.94Å |
| 781 | S | 53.6 | Low | 51.7 | Low | 65 Ų | 65 | 89.6 Ų | 89.6 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -76.6 | -40.3 | -175.4 | 76.2 | 0 | 0 | 0 | 0 | 113.3 | V778 T784 A785 | V778-S781 WeakPolarHBondContact O-CB 3.08Å; V778-S781 PolarHBondContact O-N 3.47Å; V778-S781 PolarHBondContact O-OG 2.96Å; S781-T784 PolarHBondContact O-N 2.98Å; S781-A785 WeakPolarHBondContact O-CB 3.25Å; S781-A785 PolarHBondContact O-N 2.69Å |
| 782 | V | 56.7 | Low | 52.9 | Low | 94 Ų | 94 | 82 Ų | 82 | 57% | 0.57 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.3 | -50.1 | -177.3 | -177.7 | 0 | 0 | 0 | 0 | 113.6 | T784 A785 A786 | V782-T784 VanDerWaalsContact C-N 3.28Å; V782-T784 PolarHBondContact O-N 3.42Å; V782-A785 PolarHBondContact O-N 3.18Å; V782-A786 WeakPolarHBondContact O-CB 3.34Å; V782-A786 PolarHBondContact O-N 3.43Å |
| 783 | P | 51.5 | Low | 54.5 | Low | 76 Ų | 76 | 81.8 Ų | 81.8 | 49% | 0.494 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.1 | -31.8 | 177.4 | 26.8 | -34.2 | 0 | 0 | 0 | 111.9 | E779 A786 A787 | E779-P783 WeakPolarHBondContact O-CD 3.49Å; E779-P783 WeakPolarHBondContact O-CG 3.47Å; P783-A786 PolarHBondContact O-N 2.87Å; P783-A787 VanDerWaalsContact O-CB 3.28Å; P783-A787 WeakPolarHBondContact O-CB 3.2Å; P783-A787 PolarHBondContact O-N 3.22Å |
| 784 | T | 59.7 | Low | 55.9 | Low | 59 Ų | 59 | 77.5 Ų | 77.5 | 36% | 0.362 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.9 | -45.6 | 174.9 | -55.2 | 0 | 0 | 0 | 0 | 111.2 | A679 G780 S781 V782 A787 A788 | A679-T784 HydrophobicContact CB-CG2 4.47Å; G780-T784 PolarHBondContact O-OG1 2.94Å; S781-T784 PolarHBondContact O-N 2.98Å; V782-T784 VanDerWaalsContact C-N 3.28Å; V782-T784 PolarHBondContact O-N 3.42Å; T784-A787 PolarHBondContact O-N 2.92Å; T784-A788 WeakPolarHBondContact O-CB 3.3Å; T784-A788 PolarHBondContact O-N 3.3Å |
| 785 | A | 55.7 | Low | 57.4 | Low | 53 Ų | 53 | 73.4 Ų | 73.4 | 44% | 0.438 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S781 V782 A788 A789 | S781-A785 WeakPolarHBondContact O-CB 3.25Å; S781-A785 PolarHBondContact O-N 2.69Å; V782-A785 PolarHBondContact O-N 3.18Å; A785-A788 PolarHBondContact O-N 3.28Å; A785-A789 WeakPolarHBondContact O-CB 3.36Å; A785-A789 PolarHBondContact O-N 3.37Å |
| 786 | A | 58.8 | Low | 58.5 | Low | 47 Ų | 47 | 71 Ų | 71 | 39% | 0.388 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V782 P783 A788 A789 L790 | V782-A786 WeakPolarHBondContact O-CB 3.34Å; V782-A786 PolarHBondContact O-N 3.43Å; P783-A786 PolarHBondContact O-N 2.87Å; A786-A788 PolarHBondContact O-N 3.22Å; A786-A789 PolarHBondContact O-N 2.94Å; A786-L790 WeakPolarHBondContact O-CB 3.43Å; A786-L790 WeakPolarHBondContact O-CG 3.44Å; A786-L790 PolarHBondContact O-N 3.15Å |
| 787 | A | 60.3 | Low | 60.3 | Low | 52 Ų | 52 | 67.8 Ų | 67.8 | 43% | 0.43 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | P783 T784 S791 | P783-A787 VanDerWaalsContact O-CB 3.28Å; P783-A787 WeakPolarHBondContact O-CB 3.2Å; P783-A787 PolarHBondContact O-N 3.22Å; T784-A787 PolarHBondContact O-N 2.92Å; A787-S791 VanDerWaalsContact O-CB 3.28Å; A787-S791 WeakPolarHBondContact O-CB 2.95Å; A787-S791 PolarHBondContact O-N 2.93Å; A787-S791 PolarHBondContact O-OG 3.04Å |
| 788 | A | 63.2 | Low | 61.8 | Low | 48 Ų | 48 | 70.1 Ų | 70.1 | 40% | 0.397 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.5 | -43.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T784 A785 A786 S791 S792 | T784-A788 WeakPolarHBondContact O-CB 3.3Å; T784-A788 PolarHBondContact O-N 3.3Å; A785-A788 PolarHBondContact O-N 3.28Å; A786-A788 PolarHBondContact O-N 3.22Å; A788-S791 PolarHBondContact O-N 2.97Å; A788-S792 VanDerWaalsContact O-CB 3.3Å; A788-S792 WeakPolarHBondContact O-CB 3.34Å; A788-S792 PolarHBondContact O-N 3.44Å |
| 789 | A | 63.3 | Low | 63.1 | Low | 26 Ų | 26 | 71.5 Ų | 71.5 | 22% | 0.215 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | L663 A785 A786 S792 A793 | L663-A789 HydrophobicContact CD1-CB 3.96Å; A785-A789 WeakPolarHBondContact O-CB 3.36Å; A785-A789 PolarHBondContact O-N 3.37Å; A786-A789 PolarHBondContact O-N 2.94Å; A789-S792 WeakPolarHBondContact O-CB 3.42Å; A789-S792 PolarHBondContact O-N 3.28Å; A789-A793 WeakPolarHBondContact O-CB 3.4Å; A789-A793 PolarHBondContact O-N 3.37Å |
| 790 | L | 70.2 | Confident | 64.8 | Low | 126 Ų | 126 | 68.8 Ų | 68.8 | 66% | 0.66 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -66.6 | -41 | 175.5 | -71.4 | 170.5 | 0 | 0 | 0 | 112 | A786 A793 A794 | A786-L790 WeakPolarHBondContact O-CB 3.43Å; A786-L790 WeakPolarHBondContact O-CG 3.44Å; A786-L790 PolarHBondContact O-N 3.15Å; L790-A793 PolarHBondContact O-N 3.43Å; L790-A794 WeakPolarHBondContact O-CB 3.38Å; L790-A794 PolarHBondContact O-N 3.39Å |
| 791 | S | 66.4 | Low | 66.5 | Low | 76 Ų | 76 | 70.5 Ų | 70.5 | 53% | 0.531 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 175.7 | -59.6 | 0 | 0 | 0 | 0 | 111.8 | A787 A788 S795 | A787-S791 VanDerWaalsContact O-CB 3.28Å; A787-S791 WeakPolarHBondContact O-CB 2.95Å; A787-S791 PolarHBondContact O-N 2.93Å; A787-S791 PolarHBondContact O-OG 3.04Å; A788-S791 PolarHBondContact O-N 2.97Å; S791-S795 WeakPolarHBondContact O-CB 3.5Å; S791-S795 PolarHBondContact O-N 3.03Å |
| 792 | S | 65.8 | Low | 67.8 | Low | 18 Ų | 18 | 69.2 Ų | 69.2 | 13% | 0.126 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -56.5 | -54.9 | 170.2 | 157.3 | 0 | 0 | 0 | 0 | 111.3 | V667 A788 A789 A794 S795 K796 | V667-S792 WeakPolarHBondContact CG2-OG 3.47Å; A788-S792 VanDerWaalsContact O-CB 3.3Å; A788-S792 WeakPolarHBondContact O-CB 3.34Å; A788-S792 PolarHBondContact O-N 3.44Å; A789-S792 WeakPolarHBondContact O-CB 3.42Å; A789-S792 PolarHBondContact O-N 3.28Å; S792-A794 VanDerWaalsContact C-N 3.34Å; S792-A794 PolarHBondContact O-N 2.95Å; S792-S795 WeakPolarHBondContact O-CB 3.35Å; S792-S795 PolarHBondContact O-N 3.3Å; S792-S795 VanDerWaalsContact O-N 3.08Å; S792-S795 PolarHBondContact O-OG 2.95Å; S792-K796 PolarHBondContact O-N 3.14Å |
| 793 | A | 67.3 | Low | 69.2 | Low | 47 Ų | 47 | 67.2 Ų | 67.2 | 39% | 0.388 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -58.5 | -43.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A789 L790 S795 K796 A797 | A789-A793 WeakPolarHBondContact O-CB 3.4Å; A789-A793 PolarHBondContact O-N 3.37Å; L790-A793 PolarHBondContact O-N 3.43Å; A793-S795 PolarHBondContact O-N 3.45Å; A793-K796 PolarHBondContact O-N 3.2Å; A793-A797 WeakPolarHBondContact O-CB 3.46Å; A793-A797 PolarHBondContact O-N 2.82Å |
| 794 | A | 71.1 | Confident | 70.9 | Confident | 62 Ų | 62 | 67.7 Ų | 67.7 | 51% | 0.512 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62 | -40.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L790 S792 K796 A797 K798 | L790-A794 WeakPolarHBondContact O-CB 3.38Å; L790-A794 PolarHBondContact O-N 3.39Å; S792-A794 VanDerWaalsContact C-N 3.34Å; S792-A794 PolarHBondContact O-N 2.95Å; A794-K796 VanDerWaalsContact C-N 3.34Å; A794-K796 PolarHBondContact O-N 3.17Å; A794-A797 PolarHBondContact O-N 3.47Å; A794-K798 PolarHBondContact O-N 2.67Å |
| 795 | S | 71.1 | Confident | 72.3 | Confident | 52 Ų | 52 | 69.7 Ų | 69.7 | 36% | 0.364 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 176 | 83 | 0 | 0 | 0 | 0 | 112.1 | S791 S792 A793 K798 H799 | S791-S795 WeakPolarHBondContact O-CB 3.5Å; S791-S795 PolarHBondContact O-N 3.03Å; S792-S795 WeakPolarHBondContact O-CB 3.35Å; S792-S795 PolarHBondContact O-N 3.3Å; S792-S795 VanDerWaalsContact O-N 3.08Å; S792-S795 PolarHBondContact O-OG 2.95Å; A793-S795 PolarHBondContact O-N 3.45Å; S795-K798 PolarHBondContact O-N 2.68Å; S795-H799 PolarHBondContact O-N 2.74Å |
| 796 | K | 65.4 | Low | 73.9 | Confident | 77 Ų | 77 | 74 Ų | 74 | 34% | 0.335 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -76.1 | -36.7 | 179 | -167.1 | 159.7 | -168.4 | 161.6 | 0 | 112.9 | V666 S792 A793 A794 K798 H799 L800 | V666-K796 HydrophobicContact CG1-CD 3.56Å; V666-K796 PolarHBondContact O-NZ 2.86Å; S792-K796 PolarHBondContact O-N 3.14Å; A793-K796 PolarHBondContact O-N 3.2Å; A794-K796 VanDerWaalsContact C-N 3.34Å; A794-K796 PolarHBondContact O-N 3.17Å; K796-K798 VanDerWaalsContact C-N 3.27Å; K796-K798 PolarHBondContact O-N 3.11Å; K796-H799 PolarHBondContact O-N 3.27Å; K796-H799 VanDerWaalsContact O-N 3.12Å; K796-L800 HydrophobicContact CG-CD1 4.24Å; K796-L800 HydrophobicContact CG-CG 4.35Å; K796-L800 WeakPolarHBondContact O-CB 3.24Å; K796-L800 WeakPolarHBondContact O-CG 3.29Å; K796-L800 PolarHBondContact O-N 3.42Å |
| 797 | A | 78.5 | Confident | 75.3 | Confident | 59 Ų | 59 | 76.8 Ų | 76.8 | 49% | 0.488 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -56.7 | -43.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A793 A794 L800 A801 | A793-A797 WeakPolarHBondContact O-CB 3.46Å; A793-A797 PolarHBondContact O-N 2.82Å; A794-A797 PolarHBondContact O-N 3.47Å; A797-L800 PolarHBondContact O-N 3.36Å; A797-A801 WeakPolarHBondContact O-CB 3.46Å; A797-A801 PolarHBondContact O-N 2.88Å |
| 798 | K | 79.7 | Confident | 76.9 | Confident | 167 Ų | 167 | 79 Ų | 79 | 73% | 0.726 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -64 | -39.3 | 173.8 | -173.9 | 175.2 | 180 | 177.6 | 0 | 112.8 | A794 S795 K796 A802 | A794-K798 PolarHBondContact O-N 2.67Å; S795-K798 PolarHBondContact O-N 2.68Å; K796-K798 VanDerWaalsContact C-N 3.27Å; K796-K798 PolarHBondContact O-N 3.11Å; K798-A802 PolarHBondContact O-N 2.89Å; K798-A802 VanDerWaalsContact O-N 3.16Å |
| 799 | H | 76.5 | Confident | 78.3 | Confident | 115 Ų | 115 | 82.4 Ų | 82.4 | 53% | 0.532 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.7 | -44.8 | 175.5 | -168.5 | 95.3 | 0 | 0 | 0 | 112.2 | S795 K796 A801 A802 V803 | S795-H799 PolarHBondContact O-N 2.74Å; K796-H799 PolarHBondContact O-N 3.27Å; K796-H799 VanDerWaalsContact O-N 3.12Å; H799-A801 PolarHBondContact O-N 2.73Å; H799-A802 CarbonylContact O-C 3.11Å; H799-A802 PolarHBondContact O-N 3.35Å; H799-A802 VanDerWaalsContact O-N 3.12Å; H799-V803 WeakPolarHBondContact O-CG2 3.4Å; H799-V803 PolarHBondContact O-N 2.78Å |
| 800 | L | 78.3 | Confident | 79.6 | Confident | 99 Ų | 99 | 85 Ų | 85 | 52% | 0.518 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.8 | -43.2 | 177.6 | -72 | 169.1 | 0 | 0 | 0 | 111.5 | K796 A797 A802 V803 E804 | K796-L800 HydrophobicContact CG-CD1 4.24Å; K796-L800 HydrophobicContact CG-CG 4.35Å; K796-L800 WeakPolarHBondContact O-CB 3.24Å; K796-L800 WeakPolarHBondContact O-CG 3.29Å; K796-L800 PolarHBondContact O-N 3.42Å; A797-L800 PolarHBondContact O-N 3.36Å; L800-A802 VanDerWaalsContact C-N 3.31Å; L800-A802 PolarHBondContact O-N 3Å; L800-V803 PolarHBondContact O-N 2.94Å; L800-V803 VanDerWaalsContact O-N 3.07Å; L800-E804 PolarHBondContact O-N 2.86Å |
| 801 | A | 83.3 | Confident | 80.7 | Confident | 63 Ų | 63 | 84 Ų | 84 | 52% | 0.521 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -57 | -43.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | A797 H799 V803 E804 E805 | A797-A801 WeakPolarHBondContact O-CB 3.46Å; A797-A801 PolarHBondContact O-N 2.88Å; H799-A801 PolarHBondContact O-N 2.73Å; A801-V803 VanDerWaalsContact C-N 3.31Å; A801-V803 PolarHBondContact O-N 3.45Å; A801-E804 PolarHBondContact O-N 2.94Å; A801-E805 WeakPolarHBondContact O-CB 3.49Å; A801-E805 PolarHBondContact O-N 2.73Å |
| 802 | A | 80.8 | Confident | 82.1 | Confident | 37 Ų | 37 | 84.3 Ų | 84.3 | 31% | 0.306 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -73 | -16.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | K798 H799 L800 R806 | K798-A802 PolarHBondContact O-N 2.89Å; K798-A802 VanDerWaalsContact O-N 3.16Å; H799-A802 CarbonylContact O-C 3.11Å; H799-A802 PolarHBondContact O-N 3.35Å; H799-A802 VanDerWaalsContact O-N 3.12Å; L800-A802 VanDerWaalsContact C-N 3.31Å; L800-A802 PolarHBondContact O-N 3Å; A802-R806 PolarHBondContact O-NE 3.31Å; A802-R806 PolarHBondContact O-NH2 2.87Å |
| 803 | V | 85.6 | Confident | 83.3 | Confident | 52 Ų | 52 | 86.3 Ų | 86.3 | 32% | 0.315 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -79.2 | -49.7 | 169.4 | 169.3 | 0 | 0 | 0 | 0 | 110 | H799 L800 A801 E805 R806 K807 | H799-V803 WeakPolarHBondContact O-CG2 3.4Å; H799-V803 PolarHBondContact O-N 2.78Å; L800-V803 PolarHBondContact O-N 2.94Å; L800-V803 VanDerWaalsContact O-N 3.07Å; A801-V803 VanDerWaalsContact C-N 3.31Å; A801-V803 PolarHBondContact O-N 3.45Å; V803-E805 VanDerWaalsContact C-N 3.32Å; V803-E805 PolarHBondContact O-N 3.27Å; V803-R806 VanDerWaalsContact CG2-NH2 3.28Å; V803-R806 WeakPolarHBondContact O-CB 3.41Å; V803-R806 PolarHBondContact O-N 3.34Å; V803-R806 VanDerWaalsContact O-N 3.11Å; V803-K807 WeakPolarHBondContact O-CB 3.45Å; V803-K807 PolarHBondContact O-N 3.45Å |
| 804 | E | 88.8 | Confident | 84.5 | Confident | 86 Ų | 86 | 88.7 Ų | 88.7 | 40% | 0.402 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.8 | -36.4 | 177.3 | -75.1 | -60.5 | 147.3 | 0 | 0 | 111.8 | L800 A801 R806 K807 I808 | L800-E804 PolarHBondContact O-N 2.86Å; A801-E804 PolarHBondContact O-N 2.94Å; E804-R806 VanDerWaalsContact C-N 3.3Å; E804-R806 PolarHBondContact O-N 2.62Å; E804-K807 PolarHBondContact O-N 3.11Å; E804-K807 VanDerWaalsContact O-N 3.17Å; E804-K807 WeakPolarHBondContact OE1-CD 3.04Å; E804-K807 IonicContact OE1-NZ 3.92Å; E804-K807 PolarHBondContact OE1-NZ 3.13Å; E804-K807 WeakPolarHBondContact OE2-CD 3.49Å; E804-K807 IonicContact OE2-NZ 3.81Å; E804-I808 WeakPolarHBondContact O-CB 3.39Å; E804-I808 VanDerWaalsContact O-CG1 3.23Å; E804-I808 WeakPolarHBondContact O-CG1 3.44Å; E804-I808 PolarHBondContact O-N 3.1Å |
| 805 | E | 87.7 | Confident | 85.6 | Confident | 102 Ų | 102 | 90.7 Ų | 90.7 | 48% | 0.477 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.1 | -39.8 | 172.2 | -162.9 | -160.5 | 166.1 | 0 | 0 | 112.3 | A801 V803 K809 | A801-E805 WeakPolarHBondContact O-CB 3.49Å; A801-E805 PolarHBondContact O-N 2.73Å; V803-E805 VanDerWaalsContact C-N 3.32Å; V803-E805 PolarHBondContact O-N 3.27Å; E805-K809 VanDerWaalsContact CD-NZ 3.31Å; E805-K809 WeakPolarHBondContact O-CB 3.17Å; E805-K809 WeakPolarHBondContact O-CD 3.12Å; E805-K809 VanDerWaalsContact O-CG 3.23Å; E805-K809 WeakPolarHBondContact O-CG 3.29Å; E805-K809 PolarHBondContact O-N 3.15Å; E805-K809 VanDerWaalsContact OE1-CE 3.24Å; E805-K809 WeakPolarHBondContact OE1-CE 3.44Å; E805-K809 IonicContact OE1-NZ 3.93Å; E805-K809 PolarHBondContact OE1-NZ 2.9Å; E805-K809 IonicContact OE2-NZ 2.83Å |
| 806 | R | 89.1 | Confident | 86.8 | Confident | 143 Ų | 143 | 91.9 Ų | 91.9 | 54% | 0.54 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.9 | -39 | 174.6 | -80.6 | 176.7 | -75.5 | 157.5 | -2.2 | 112.3 | A802 V803 E804 K809 S810 | A802-R806 PolarHBondContact O-NE 3.31Å; A802-R806 PolarHBondContact O-NH2 2.87Å; V803-R806 VanDerWaalsContact CG2-NH2 3.28Å; V803-R806 WeakPolarHBondContact O-CB 3.41Å; V803-R806 PolarHBondContact O-N 3.34Å; V803-R806 VanDerWaalsContact O-N 3.11Å; E804-R806 VanDerWaalsContact C-N 3.3Å; E804-R806 PolarHBondContact O-N 2.62Å; R806-K809 PolarHBondContact O-N 3.45Å; R806-S810 WeakPolarHBondContact O-CB 3.24Å; R806-S810 PolarHBondContact O-N 3.34Å |
| 807 | K | 89.6 | Confident | 88.1 | Confident | 106 Ų | 106 | 92.5 Ų | 92.5 | 46% | 0.461 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.6 | -42.8 | 178 | -171.7 | 170.7 | 158.6 | -161.1 | 0 | 111.7 | V803 E804 S810 L811 | V803-K807 WeakPolarHBondContact O-CB 3.45Å; V803-K807 PolarHBondContact O-N 3.45Å; E804-K807 PolarHBondContact O-N 3.11Å; E804-K807 VanDerWaalsContact O-N 3.17Å; E804-K807 WeakPolarHBondContact OE1-CD 3.04Å; E804-K807 IonicContact OE1-NZ 3.92Å; E804-K807 PolarHBondContact OE1-NZ 3.13Å; E804-K807 WeakPolarHBondContact OE2-CD 3.49Å; E804-K807 IonicContact OE2-NZ 3.81Å; K807-S810 PolarHBondContact O-N 3.46Å; K807-L811 HydrophobicContact CG-CD1 4.29Å; K807-L811 WeakPolarHBondContact O-CB 3.44Å; K807-L811 WeakPolarHBondContact O-CG 3.4Å; K807-L811 PolarHBondContact O-N 3.06Å |
| 808 | I | 93.6 | Very high | 88.8 | Confident | 98 Ų | 98 | 93.2 Ų | 93.2 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.2 | -48 | 171.2 | -68.8 | 164.2 | 0 | 0 | 0 | 110.4 | E804 S810 L811 V812 | E804-I808 WeakPolarHBondContact O-CB 3.39Å; E804-I808 VanDerWaalsContact O-CG1 3.23Å; E804-I808 WeakPolarHBondContact O-CG1 3.44Å; E804-I808 PolarHBondContact O-N 3.1Å; I808-S810 VanDerWaalsContact C-N 3.32Å; I808-S810 PolarHBondContact O-N 2.55Å; I808-L811 PolarHBondContact O-N 2.78Å; I808-V812 HydrophobicContact CG2-CG2 4.39Å; I808-V812 WeakPolarHBondContact O-CB 3.34Å; I808-V812 VanDerWaalsContact O-CG2 3.29Å; I808-V812 WeakPolarHBondContact O-CG2 3.3Å; I808-V812 PolarHBondContact O-N 2.93Å |
| 809 | K | 91.9 | Very high | 89.5 | Confident | 120 Ų | 120 | 89.1 Ų | 89.1 | 52% | 0.522 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.5 | -41.9 | 176.1 | -75 | 167.9 | -174.6 | 172.8 | 0 | 112.5 | E805 R806 A813 | E805-K809 VanDerWaalsContact CD-NZ 3.31Å; E805-K809 WeakPolarHBondContact O-CB 3.17Å; E805-K809 WeakPolarHBondContact O-CD 3.12Å; E805-K809 VanDerWaalsContact O-CG 3.23Å; E805-K809 WeakPolarHBondContact O-CG 3.29Å; E805-K809 PolarHBondContact O-N 3.15Å; E805-K809 VanDerWaalsContact OE1-CE 3.24Å; E805-K809 WeakPolarHBondContact OE1-CE 3.44Å; E805-K809 IonicContact OE1-NZ 3.93Å; E805-K809 PolarHBondContact OE1-NZ 2.9Å; E805-K809 IonicContact OE2-NZ 2.83Å; R806-K809 PolarHBondContact O-N 3.45Å; K809-A813 WeakPolarHBondContact O-CB 3.16Å; K809-A813 PolarHBondContact O-N 3.4Å |
| 810 | S | 91.1 | Very high | 90.4 | Very high | 80 Ų | 80 | 89.7 Ų | 89.7 | 56% | 0.559 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.7 | -47.5 | 176.1 | -171.4 | 0 | 0 | 0 | 0 | 112.3 | R806 K807 I808 V812 A813 L814 | R806-S810 WeakPolarHBondContact O-CB 3.24Å; R806-S810 PolarHBondContact O-N 3.34Å; K807-S810 PolarHBondContact O-N 3.46Å; I808-S810 VanDerWaalsContact C-N 3.32Å; I808-S810 PolarHBondContact O-N 2.55Å; S810-V812 VanDerWaalsContact C-N 3.33Å; S810-V812 PolarHBondContact O-N 2.69Å; S810-A813 PolarHBondContact O-N 3.45Å; S810-L814 PolarHBondContact O-N 3.37Å |
| 811 | L | 92.9 | Very high | 91.2 | Very high | 104 Ų | 104 | 90 Ų | 90 | 55% | 0.545 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.6 | -39.2 | 176.6 | -76 | 165.6 | 0 | 0 | 0 | 112.4 | K807 I808 L815 | K807-L811 HydrophobicContact CG-CD1 4.29Å; K807-L811 WeakPolarHBondContact O-CB 3.44Å; K807-L811 WeakPolarHBondContact O-CG 3.4Å; K807-L811 PolarHBondContact O-N 3.06Å; I808-L811 PolarHBondContact O-N 2.78Å; L811-L815 WeakPolarHBondContact O-CB 3.32Å; L811-L815 PolarHBondContact O-N 2.86Å |
| 812 | V | 95.6 | Very high | 91.7 | Very high | 84 Ų | 84 | 92.1 Ų | 92.1 | 51% | 0.509 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 174.4 | 169.3 | 0 | 0 | 0 | 0 | 111.1 | I808 S810 L815 V816 | I808-V812 HydrophobicContact CG2-CG2 4.39Å; I808-V812 WeakPolarHBondContact O-CB 3.34Å; I808-V812 VanDerWaalsContact O-CG2 3.29Å; I808-V812 WeakPolarHBondContact O-CG2 3.3Å; I808-V812 PolarHBondContact O-N 2.93Å; S810-V812 VanDerWaalsContact C-N 3.33Å; S810-V812 PolarHBondContact O-N 2.69Å; V812-L815 PolarHBondContact O-N 2.71Å; V812-V816 WeakPolarHBondContact O-CG2 3.5Å; V812-V816 PolarHBondContact O-N 3.16Å |
| 813 | A | 91.5 | Very high | 92.5 | Very high | 60 Ų | 60 | 95.6 Ų | 95.6 | 50% | 0.496 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.1 | -47.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K809 S810 L815 V816 E817 | K809-A813 WeakPolarHBondContact O-CB 3.16Å; K809-A813 PolarHBondContact O-N 3.4Å; S810-A813 PolarHBondContact O-N 3.45Å; A813-L815 VanDerWaalsContact C-N 3.33Å; A813-L815 PolarHBondContact O-N 2.88Å; A813-V816 PolarHBondContact O-N 2.77Å; A813-E817 PolarHBondContact O-N 3.35Å |
| 814 | L | 92.7 | Very high | 92.8 | Very high | 96 Ų | 96 | 98 Ų | 98 | 50% | 0.503 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64 | -36 | 176.9 | -173.4 | 66.9 | 0 | 0 | 0 | 112.3 | S810 T818 | S810-L814 PolarHBondContact O-N 3.37Å; L814-T818 VanDerWaalsContact O-CB 3.26Å; L814-T818 WeakPolarHBondContact O-CB 3.2Å; L814-T818 PolarHBondContact O-N 2.9Å; L814-T818 PolarHBondContact O-OG1 3.3Å |
| 815 | L | 93.8 | Very high | 93.1 | Very high | 104 Ų | 104 | 98.8 Ų | 98.8 | 55% | 0.545 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.5 | -42.2 | 174.2 | -178.2 | 150.9 | 0 | 0 | 0 | 111.4 | L811 V812 A813 T818 Q819 | L811-L815 WeakPolarHBondContact O-CB 3.32Å; L811-L815 PolarHBondContact O-N 2.86Å; V812-L815 PolarHBondContact O-N 2.71Å; A813-L815 VanDerWaalsContact C-N 3.33Å; A813-L815 PolarHBondContact O-N 2.88Å; L815-T818 PolarHBondContact O-N 3.19Å; L815-Q819 HydrophobicContact CD2-CG 4.41Å; L815-Q819 WeakPolarHBondContact O-CG 3.37Å; L815-Q819 PolarHBondContact O-N 2.96Å |
| 816 | V | 96.3 | Very high | 93.4 | Very high | 78 Ų | 78 | 99.8 Ų | 99.8 | 47% | 0.473 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.3 | -49.5 | 174.9 | 169.2 | 0 | 0 | 0 | 0 | 110.6 | V812 A813 T818 Q819 M820 | V812-V816 WeakPolarHBondContact O-CG2 3.5Å; V812-V816 PolarHBondContact O-N 3.16Å; A813-V816 PolarHBondContact O-N 2.77Å; V816-T818 PolarHBondContact O-N 2.86Å; V816-Q819 PolarHBondContact O-N 3.09Å; V816-Q819 VanDerWaalsContact O-N 3.11Å; V816-M820 WeakPolarHBondContact O-CG 3.33Å; V816-M820 PolarHBondContact O-N 2.9Å |
| 817 | E | 93.5 | Very high | 93.7 | Very high | 90 Ų | 90 | 97.8 Ų | 97.8 | 42% | 0.421 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -55.7 | -41.3 | 175.1 | -169.7 | -170.2 | 169.7 | 0 | 0 | 111.5 | A813 M820 K821 | A813-E817 PolarHBondContact O-N 3.35Å; E817-M820 PolarHBondContact O-N 2.94Å; E817-K821 HydrophobicContact CG-CD 4.46Å; E817-K821 PolarHBondContact O-N 3.17Å; E817-K821 WeakPolarHBondContact OE1-CE 3.28Å; E817-K821 IonicContact OE1-NZ 3.44Å; E817-K821 PolarHBondContact OE1-NZ 3.25Å |
| 818 | T | 92.8 | Very high | 93.9 | Very high | 73 Ų | 73 | 99.6 Ų | 99.6 | 45% | 0.448 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.3 | -38.3 | 177.4 | -59.5 | 0 | 0 | 0 | 0 | 112.5 | L814 L815 V816 M820 K822 | L814-T818 VanDerWaalsContact O-CB 3.26Å; L814-T818 WeakPolarHBondContact O-CB 3.2Å; L814-T818 PolarHBondContact O-N 2.9Å; L814-T818 PolarHBondContact O-OG1 3.3Å; L815-T818 PolarHBondContact O-N 3.19Å; V816-T818 PolarHBondContact O-N 2.86Å; T818-M820 VanDerWaalsContact C-N 3.34Å; T818-K822 WeakPolarHBondContact O-CB 3.44Å; T818-K822 PolarHBondContact O-N 3.2Å |
| 819 | Q | 95 | Very high | 93.9 | Very high | 81 Ų | 81 | 100.7 Ų | 100.7 | 38% | 0.379 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68 | -33.5 | 171.5 | -62.9 | -42.1 | -60.4 | 0 | 0 | 112.1 | L815 V816 L823 | L815-Q819 HydrophobicContact CD2-CG 4.41Å; L815-Q819 WeakPolarHBondContact O-CG 3.37Å; L815-Q819 PolarHBondContact O-N 2.96Å; V816-Q819 PolarHBondContact O-N 3.09Å; V816-Q819 VanDerWaalsContact O-N 3.11Å; Q819-L823 PolarHBondContact O-N 2.89Å |
| 820 | M | 94.8 | Very high | 94.1 | Very high | 128 Ų | 128 | 102 Ų | 102 | 63% | 0.631 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.9 | -49.2 | 174.4 | -65.6 | -151.8 | 75.1 | 0 | 0 | 111.8 | V816 E817 T818 K822 L823 E824 | V816-M820 WeakPolarHBondContact O-CG 3.33Å; V816-M820 PolarHBondContact O-N 2.9Å; E817-M820 PolarHBondContact O-N 2.94Å; T818-M820 VanDerWaalsContact C-N 3.34Å; M820-K822 VanDerWaalsContact C-N 3.27Å; M820-K822 PolarHBondContact O-N 2.9Å; M820-L823 WeakPolarHBondContact O-CA 3.5Å; M820-L823 WeakPolarHBondContact O-CB 3.25Å; M820-L823 PolarHBondContact O-N 3.43Å; M820-E824 PolarHBondContact O-N 3.18Å |
| 821 | K | 94.7 | Very high | 94.3 | Very high | 104 Ų | 104 | 103.6 Ų | 103.6 | 45% | 0.452 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.6 | -36.9 | 174.7 | -71.2 | 176.7 | -176.3 | 170.9 | 0 | 112.4 | E817 L823 E824 I825 | E817-K821 HydrophobicContact CG-CD 4.46Å; E817-K821 PolarHBondContact O-N 3.17Å; E817-K821 WeakPolarHBondContact OE1-CE 3.28Å; E817-K821 IonicContact OE1-NZ 3.44Å; E817-K821 PolarHBondContact OE1-NZ 3.25Å; K821-L823 VanDerWaalsContact C-N 3.33Å; K821-L823 PolarHBondContact O-N 3.28Å; K821-E824 PolarHBondContact O-N 3.3Å; K821-I825 WeakPolarHBondContact O-CB 3.42Å; K821-I825 VanDerWaalsContact O-CG1 3.25Å; K821-I825 WeakPolarHBondContact O-CG1 3.42Å; K821-I825 PolarHBondContact O-N 2.89Å |
| 822 | K | 95 | Very high | 94.5 | Very high | 109 Ų | 109 | 103.3 Ų | 103.3 | 47% | 0.474 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.5 | -30.8 | 173.6 | 177.5 | -177.3 | 169.8 | -169.2 | 0 | 113.2 | T818 M820 K826 | T818-K822 WeakPolarHBondContact O-CB 3.44Å; T818-K822 PolarHBondContact O-N 3.2Å; M820-K822 VanDerWaalsContact C-N 3.27Å; M820-K822 PolarHBondContact O-N 2.9Å; K822-K826 WeakPolarHBondContact O-CB 3.32Å; K822-K826 VanDerWaalsContact O-CG 3.27Å; K822-K826 WeakPolarHBondContact O-CG 3.33Å; K822-K826 PolarHBondContact O-N 3.23Å |
| 823 | L | 95.6 | Very high | 94.5 | Very high | 110 Ų | 110 | 104.9 Ų | 104.9 | 58% | 0.576 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -74 | -44.3 | 170.9 | -92.1 | 159.4 | 0 | 0 | 0 | 111.4 | Q819 M820 K821 K826 L827 | Q819-L823 PolarHBondContact O-N 2.89Å; M820-L823 WeakPolarHBondContact O-CA 3.5Å; M820-L823 WeakPolarHBondContact O-CB 3.25Å; M820-L823 PolarHBondContact O-N 3.43Å; K821-L823 VanDerWaalsContact C-N 3.33Å; K821-L823 PolarHBondContact O-N 3.28Å; L823-K826 WeakPolarHBondContact O-CB 3.37Å; L823-K826 PolarHBondContact O-N 2.86Å; L823-L827 WeakPolarHBondContact O-CG 3.41Å; L823-L827 PolarHBondContact O-N 3.17Å |
| 824 | E | 93.8 | Very high | 94.6 | Very high | 103 Ų | 103 | 107.4 Ų | 107.4 | 48% | 0.481 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.1 | -49.2 | 177.3 | -170.8 | -168.6 | 160.4 | 0 | 0 | 112.1 | M820 K821 K826 L827 R828 | M820-E824 PolarHBondContact O-N 3.18Å; K821-E824 PolarHBondContact O-N 3.3Å; E824-K826 VanDerWaalsContact C-N 3.28Å; E824-K826 PolarHBondContact O-N 2.85Å; E824-L827 PolarHBondContact O-N 3.24Å; E824-R828 PolarHBondContact O-N 3.33Å; E824-R828 IonicContact OE1-NH2 3.67Å |
| 825 | I | 93.1 | Very high | 94.7 | Very high | 101 Ų | 101 | 106 Ų | 106 | 52% | 0.518 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.8 | -37.8 | 176.7 | -68.7 | 165.8 | 0 | 0 | 0 | 110.9 | K821 H829 | K821-I825 WeakPolarHBondContact O-CB 3.42Å; K821-I825 VanDerWaalsContact O-CG1 3.25Å; K821-I825 WeakPolarHBondContact O-CG1 3.42Å; K821-I825 PolarHBondContact O-N 2.89Å; I825-H829 PolarHBondContact O-N 2.86Å |
| 826 | K | 95.9 | Very high | 94.8 | Very high | 123 Ų | 123 | 105 Ų | 105 | 54% | 0.535 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 174.4 | -83.8 | -176.9 | 170.9 | -156.9 | 0 | 112.5 | K822 L823 E824 H829 F830 | K822-K826 WeakPolarHBondContact O-CB 3.32Å; K822-K826 VanDerWaalsContact O-CG 3.27Å; K822-K826 WeakPolarHBondContact O-CG 3.33Å; K822-K826 PolarHBondContact O-N 3.23Å; L823-K826 WeakPolarHBondContact O-CB 3.37Å; L823-K826 PolarHBondContact O-N 2.86Å; E824-K826 VanDerWaalsContact C-N 3.28Å; E824-K826 PolarHBondContact O-N 2.85Å; K826-H829 PolarHBondContact O-N 3.45Å; K826-F830 VanDerWaalsContact O-CD2 3.23Å; K826-F830 WeakPolarHBondContact O-CD2 3.36Å; K826-F830 PolarHBondContact O-N 2.99Å |
| 827 | L | 95.2 | Very high | 94.8 | Very high | 101 Ų | 101 | 106.5 Ų | 106.5 | 53% | 0.529 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.7 | -48.7 | 175.8 | -74.2 | 167.1 | 0 | 0 | 0 | 110.6 | L823 E824 H829 F830 E831 | L823-L827 WeakPolarHBondContact O-CG 3.41Å; L823-L827 PolarHBondContact O-N 3.17Å; E824-L827 PolarHBondContact O-N 3.24Å; L827-H829 VanDerWaalsContact C-N 3.3Å; L827-H829 PolarHBondContact O-N 2.95Å; L827-F830 WeakPolarHBondContact O-CA 3.14Å; L827-F830 WeakPolarHBondContact O-CB 3.17Å; L827-F830 PolarHBondContact O-N 3.36Å; L827-E831 WeakPolarHBondContact O-CG 3.44Å; L827-E831 PolarHBondContact O-N 3.32Å |
| 828 | R | 94.1 | Very high | 94.8 | Very high | 144 Ų | 144 | 105.6 Ų | 105.6 | 54% | 0.543 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.6 | -39.8 | 175.5 | -174.9 | 173.7 | -65 | 149.8 | 11.1 | 112.8 | E824 E831 E832 | E824-R828 PolarHBondContact O-N 3.33Å; E824-R828 IonicContact OE1-NH2 3.67Å; R828-E831 PolarHBondContact O-N 2.74Å; R828-E832 VanDerWaalsContact O-CB 3.28Å; R828-E832 WeakPolarHBondContact O-CB 3.41Å; R828-E832 PolarHBondContact O-N 3.33Å |
| 829 | H | 93.5 | Very high | 94.9 | Very high | 121 Ų | 121 | 109.4 Ų | 109.4 | 56% | 0.56 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.8 | -33.5 | 174.2 | -99.9 | 9.7 | 0 | 0 | 0 | 113.3 | I825 K826 L827 E832 L833 | I825-H829 PolarHBondContact O-N 2.86Å; K826-H829 PolarHBondContact O-N 3.45Å; L827-H829 VanDerWaalsContact C-N 3.3Å; L827-H829 PolarHBondContact O-N 2.95Å; H829-E832 IonicContact CE1-OE2 2.63Å; H829-E832 IonicContact ND1-OE2 3.19Å; H829-E832 PolarHBondContact ND1-OE2 3.23Å; H829-L833 WeakPolarHBondContact O-CB 3.26Å; H829-L833 PolarHBondContact O-N 2.89Å |
| 830 | F | 95.9 | Very high | 94.9 | Very high | 148 Ų | 148 | 111.3 Ų | 111.3 | 65% | 0.649 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -69.2 | -43.9 | 172.4 | -84.3 | -67.4 | 0 | 0 | 0 | 111.8 | K826 L827 E832 L833 E834 | K826-F830 VanDerWaalsContact O-CD2 3.23Å; K826-F830 WeakPolarHBondContact O-CD2 3.36Å; K826-F830 PolarHBondContact O-N 2.99Å; L827-F830 WeakPolarHBondContact O-CA 3.14Å; L827-F830 WeakPolarHBondContact O-CB 3.17Å; L827-F830 PolarHBondContact O-N 3.36Å; F830-E832 VanDerWaalsContact C-N 3.35Å; F830-E832 PolarHBondContact O-N 3.44Å; F830-L833 PolarHBondContact O-N 3.13Å; F830-E834 WeakPolarHBondContact O-CB 3.26Å; F830-E834 PolarHBondContact O-N 2.98Å |
| 831 | E | 95.5 | Very high | 94.9 | Very high | 113 Ų | 113 | 111.4 Ų | 111.4 | 53% | 0.528 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.5 | -45.2 | 174.1 | -67.4 | 164.9 | 178.8 | 0 | 0 | 111.2 | L827 R828 E834 T835 | L827-E831 WeakPolarHBondContact O-CG 3.44Å; L827-E831 PolarHBondContact O-N 3.32Å; R828-E831 PolarHBondContact O-N 2.74Å; E831-E834 PolarHBondContact O-N 3.39Å; E831-T835 WeakPolarHBondContact O-CG2 3.45Å; E831-T835 PolarHBondContact O-N 3.23Å |
| 832 | E | 95.3 | Very high | 94.9 | Very high | 98 Ų | 98 | 112 Ų | 112 | 46% | 0.458 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.7 | -47.1 | 176.8 | -173.6 | 169.4 | -158.5 | 0 | 0 | 111.4 | R828 H829 F830 E834 T835 I836 | R828-E832 VanDerWaalsContact O-CB 3.28Å; R828-E832 WeakPolarHBondContact O-CB 3.41Å; R828-E832 PolarHBondContact O-N 3.33Å; H829-E832 IonicContact CE1-OE2 2.63Å; H829-E832 IonicContact ND1-OE2 3.19Å; H829-E832 PolarHBondContact ND1-OE2 3.23Å; F830-E832 VanDerWaalsContact C-N 3.35Å; F830-E832 PolarHBondContact O-N 3.44Å; E832-E834 VanDerWaalsContact C-N 3.33Å; E832-E834 PolarHBondContact O-N 3.11Å; E832-T835 PolarHBondContact O-N 2.9Å; E832-T835 PolarHBondContact O-OG1 3.5Å; E832-I836 HydrophobicContact CG-CD1 4.18Å; E832-I836 WeakPolarHBondContact O-CG1 3.24Å; E832-I836 PolarHBondContact O-N 3.49Å |
| 833 | L | 95.5 | Very high | 94.8 | Very high | 117 Ų | 117 | 108.5 Ų | 108.5 | 61% | 0.613 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.7 | -39.5 | 175.4 | -128.9 | 73 | 0 | 0 | 0 | 112.6 | H829 F830 I836 M837 | H829-L833 WeakPolarHBondContact O-CB 3.26Å; H829-L833 PolarHBondContact O-N 2.89Å; F830-L833 PolarHBondContact O-N 3.13Å; L833-I836 PolarHBondContact O-N 3.16Å; L833-M837 WeakPolarHBondContact O-CB 3.32Å; L833-M837 PolarHBondContact O-N 3.26Å |
| 834 | E | 95 | Very high | 94.8 | Very high | 114 Ų | 114 | 108.3 Ų | 108.3 | 53% | 0.533 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.2 | -46.1 | 177.2 | -174.1 | 166 | -148.1 | 0 | 0 | 110.8 | F830 E831 E832 I836 M837 D838 | F830-E834 WeakPolarHBondContact O-CB 3.26Å; F830-E834 PolarHBondContact O-N 2.98Å; E831-E834 PolarHBondContact O-N 3.39Å; E832-E834 VanDerWaalsContact C-N 3.33Å; E832-E834 PolarHBondContact O-N 3.11Å; E834-I836 VanDerWaalsContact C-N 3.3Å; E834-I836 PolarHBondContact O-N 3.28Å; E834-M837 HydrophobicContact CG-CE 4.36Å; E834-M837 PolarHBondContact O-N 3.37Å; E834-D838 PolarHBondContact O-N 2.94Å |
| 835 | T | 95.4 | Very high | 94.8 | Very high | 66 Ų | 66 | 107 Ų | 107 | 41% | 0.405 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.7 | -26.8 | 175.4 | 71.9 | 0 | 0 | 0 | 0 | 113.5 | E831 E832 R839 | E831-T835 WeakPolarHBondContact O-CG2 3.45Å; E831-T835 PolarHBondContact O-N 3.23Å; E832-T835 PolarHBondContact O-N 2.9Å; E832-T835 PolarHBondContact O-OG1 3.5Å; T835-R839 VanDerWaalsContact CB-NH1 3.26Å; T835-R839 VanDerWaalsContact O-CG 3.27Å; T835-R839 WeakPolarHBondContact O-CG 3.33Å; T835-R839 PolarHBondContact O-N 2.9Å; T835-R839 PolarHBondContact O-NH1 3.24Å; T835-R839 PolarHBondContact OG1-NH1 2.85Å |
| 836 | I | 94.9 | Very high | 94.9 | Very high | 82 Ų | 82 | 107.4 Ų | 107.4 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72.4 | -46.5 | 172.6 | -68.5 | 165.5 | 0 | 0 | 0 | 109.7 | E832 L833 E834 D838 R839 E840 | E832-I836 HydrophobicContact CG-CD1 4.18Å; E832-I836 WeakPolarHBondContact O-CG1 3.24Å; E832-I836 PolarHBondContact O-N 3.49Å; L833-I836 PolarHBondContact O-N 3.16Å; E834-I836 VanDerWaalsContact C-N 3.3Å; E834-I836 PolarHBondContact O-N 3.28Å; I836-D838 VanDerWaalsContact C-N 3.34Å; I836-D838 PolarHBondContact O-N 2.86Å; I836-R839 PolarHBondContact O-N 3.41Å; I836-E840 PolarHBondContact O-N 3.03Å |
| 837 | M | 95.4 | Very high | 94.8 | Very high | 111 Ų | 111 | 107.4 Ų | 107.4 | 55% | 0.547 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.2 | -43.1 | 176.9 | 179.3 | -175.5 | 65.7 | 0 | 0 | 112.3 | L833 E834 E840 K841 | L833-M837 WeakPolarHBondContact O-CB 3.32Å; L833-M837 PolarHBondContact O-N 3.26Å; E834-M837 HydrophobicContact CG-CE 4.36Å; E834-M837 PolarHBondContact O-N 3.37Å; M837-E840 PolarHBondContact O-N 3.38Å; M837-K841 WeakPolarHBondContact O-CB 3.36Å; M837-K841 PolarHBondContact O-N 2.95Å |
| 838 | D | 94.9 | Very high | 94.8 | Very high | 70 Ų | 70 | 110.1 Ų | 110.1 | 37% | 0.374 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.9 | -33.8 | 177.6 | -93.4 | -24.8 | 0 | 0 | 0 | 112.7 | E834 I836 K841 E842 | E834-D838 PolarHBondContact O-N 2.94Å; I836-D838 VanDerWaalsContact C-N 3.34Å; I836-D838 PolarHBondContact O-N 2.86Å; D838-K841 PolarHBondContact O-N 3.18Å; D838-K841 IonicContact OD1-NZ 2.69Å; D838-K841 PolarHBondContact OD1-NZ 3.26Å; D838-E842 WeakPolarHBondContact O-CB 3.4Å; D838-E842 PolarHBondContact O-N 2.94Å |
| 839 | R | 94.4 | Very high | 94.7 | Very high | 153 Ų | 153 | 108.7 Ų | 108.7 | 58% | 0.577 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.4 | -44 | 171.9 | -74.6 | 178.9 | -164.4 | 98.7 | -8.1 | 112.4 | T835 I836 K841 E842 A843 | T835-R839 VanDerWaalsContact CB-NH1 3.26Å; T835-R839 VanDerWaalsContact O-CG 3.27Å; T835-R839 WeakPolarHBondContact O-CG 3.33Å; T835-R839 PolarHBondContact O-N 2.9Å; T835-R839 PolarHBondContact O-NH1 3.24Å; T835-R839 PolarHBondContact OG1-NH1 2.85Å; I836-R839 PolarHBondContact O-N 3.41Å; R839-K841 VanDerWaalsContact C-N 3.33Å; R839-K841 PolarHBondContact O-N 2.84Å; R839-E842 PolarHBondContact O-N 2.98Å; R839-A843 WeakPolarHBondContact O-CB 3.37Å; R839-A843 PolarHBondContact O-N 3Å |
| 840 | E | 95 | Very high | 94.8 | Very high | 121 Ų | 121 | 108.3 Ų | 108.3 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.8 | -43 | 174.9 | -76.1 | -67.5 | 156.3 | 0 | 0 | 111.4 | I836 M837 A843 L844 | I836-E840 PolarHBondContact O-N 3.03Å; M837-E840 PolarHBondContact O-N 3.38Å; E840-A843 PolarHBondContact O-N 3.47Å; E840-L844 WeakPolarHBondContact O-CB 3.35Å; E840-L844 VanDerWaalsContact O-CG 3.31Å; E840-L844 WeakPolarHBondContact O-CG 3.47Å; E840-L844 PolarHBondContact O-N 3.26Å |
| 841 | K | 94.8 | Very high | 94.7 | Very high | 130 Ų | 130 | 106.7 Ų | 106.7 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.8 | -40.8 | 175 | 170.8 | -180 | 148.5 | -150.2 | 0 | 112.6 | M837 D838 R839 E845 | M837-K841 WeakPolarHBondContact O-CB 3.36Å; M837-K841 PolarHBondContact O-N 2.95Å; D838-K841 PolarHBondContact O-N 3.18Å; D838-K841 IonicContact OD1-NZ 2.69Å; D838-K841 PolarHBondContact OD1-NZ 3.26Å; R839-K841 VanDerWaalsContact C-N 3.33Å; R839-K841 PolarHBondContact O-N 2.84Å; K841-E845 PolarHBondContact O-N 3.37Å; K841-E845 VanDerWaalsContact O-N 3.11Å |
| 842 | E | 95.2 | Very high | 94.6 | Very high | 116 Ų | 116 | 106 Ų | 106 | 54% | 0.542 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.5 | -48.2 | 173.9 | -163.9 | -168 | 152.5 | 0 | 0 | 110.9 | D838 R839 L844 E845 Q846 | D838-E842 WeakPolarHBondContact O-CB 3.4Å; D838-E842 PolarHBondContact O-N 2.94Å; R839-E842 PolarHBondContact O-N 2.98Å; E842-L844 VanDerWaalsContact C-N 3.31Å; E842-L844 PolarHBondContact O-N 2.72Å; E842-E845 PolarHBondContact O-N 3.35Å; E842-E845 VanDerWaalsContact O-N 3.11Å; E842-Q846 HydrophobicContact CG-CG 4.5Å; E842-Q846 WeakPolarHBondContact O-CG 3.25Å; E842-Q846 PolarHBondContact O-N 3.46Å; E842-Q846 PolarHBondContact OE1-NE2 3.14Å |
| 843 | A | 93.1 | Very high | 94.6 | Very high | 37 Ų | 37 | 105.2 Ų | 105.2 | 31% | 0.306 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.6 | -39.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R839 E840 Q846 Q847 | R839-A843 WeakPolarHBondContact O-CB 3.37Å; R839-A843 PolarHBondContact O-N 3Å; E840-A843 PolarHBondContact O-N 3.47Å; A843-Q846 PolarHBondContact O-N 3.32Å; A843-Q847 WeakPolarHBondContact O-CB 3.32Å; A843-Q847 VanDerWaalsContact O-CG 3.32Å; A843-Q847 WeakPolarHBondContact O-CG 3.45Å; A843-Q847 PolarHBondContact O-N 3.31Å |
| 844 | L | 95.2 | Very high | 94.5 | Very high | 105 Ų | 105 | 104.1 Ų | 104.1 | 55% | 0.55 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.7 | -40.2 | 173.8 | -79.5 | 166.9 | 0 | 0 | 0 | 112.6 | E840 E842 R848 | E840-L844 WeakPolarHBondContact O-CB 3.35Å; E840-L844 VanDerWaalsContact O-CG 3.31Å; E840-L844 WeakPolarHBondContact O-CG 3.47Å; E840-L844 PolarHBondContact O-N 3.26Å; E842-L844 VanDerWaalsContact C-N 3.31Å; E842-L844 PolarHBondContact O-N 2.72Å; L844-R848 VanDerWaalsContact O-CB 3.24Å; L844-R848 WeakPolarHBondContact O-CB 3.38Å; L844-R848 PolarHBondContact O-N 2.93Å |
| 845 | E | 94.1 | Very high | 94.5 | Very high | 77 Ų | 77 | 107.7 Ų | 107.7 | 36% | 0.36 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -72.8 | -34.1 | 176.6 | -168 | 61.9 | -151 | 0 | 0 | 111.7 | K841 E842 R848 Q849 | K841-E845 PolarHBondContact O-N 3.37Å; K841-E845 VanDerWaalsContact O-N 3.11Å; E842-E845 PolarHBondContact O-N 3.35Å; E842-E845 VanDerWaalsContact O-N 3.11Å; E845-R848 PolarHBondContact O-N 3Å; E845-R848 IonicContact OE1-CZ 3.56Å; E845-R848 IonicContact OE1-NE 3.95Å; E845-R848 IonicContact OE1-NH1 2.76Å; E845-R848 PolarHBondContact OE1-NH1 2.71Å; E845-R848 VanDerWaalsContact OE2-CD 3.3Å; E845-R848 WeakPolarHBondContact OE2-CD 3.49Å; E845-R848 IonicContact OE2-CZ 3.66Å; E845-R848 IonicContact OE2-NE 3.91Å; E845-R848 IonicContact OE2-NH1 2.69Å; E845-R848 PolarHBondContact OE2-NH1 3.29Å; E845-Q849 VanDerWaalsContact O-CG 3.31Å; E845-Q849 WeakPolarHBondContact O-CG 3.48Å; E845-Q849 PolarHBondContact O-N 2.85Å |
| 846 | Q | 94.4 | Very high | 94.3 | Very high | 108 Ų | 108 | 110.1 Ų | 110.1 | 51% | 0.505 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.3 | -49.5 | 169.8 | -70.3 | -179.1 | 17 | 0 | 0 | 111.2 | E842 A843 R848 Q849 Q850 | E842-Q846 HydrophobicContact CG-CG 4.5Å; E842-Q846 WeakPolarHBondContact O-CG 3.25Å; E842-Q846 PolarHBondContact O-N 3.46Å; E842-Q846 PolarHBondContact OE1-NE2 3.14Å; A843-Q846 PolarHBondContact O-N 3.32Å; Q846-R848 VanDerWaalsContact C-N 3.28Å; Q846-R848 PolarHBondContact O-N 3.36Å; Q846-Q849 PolarHBondContact O-N 3.36Å; Q846-Q849 VanDerWaalsContact O-N 3.16Å; Q846-Q850 PolarHBondContact O-N 2.88Å |
| 847 | Q | 93.8 | Very high | 94.2 | Very high | 123 Ų | 123 | 110.2 Ų | 110.2 | 58% | 0.575 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59 | -38.6 | 174.7 | -76 | 178.8 | 11.9 | 0 | 0 | 112.1 | A843 Q850 L851 | A843-Q847 WeakPolarHBondContact O-CB 3.32Å; A843-Q847 VanDerWaalsContact O-CG 3.32Å; A843-Q847 WeakPolarHBondContact O-CG 3.45Å; A843-Q847 PolarHBondContact O-N 3.31Å; Q847-Q850 PolarHBondContact O-N 2.89Å; Q847-L851 WeakPolarHBondContact O-CB 3.47Å; Q847-L851 PolarHBondContact O-N 3.48Å |
| 848 | R | 94.5 | Very high | 94.1 | Very high | 159 Ų | 159 | 110.5 Ų | 110.5 | 60% | 0.6 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.9 | -40 | 175.7 | -178.5 | -174.8 | 173.3 | -141.2 | -5.6 | 112.3 | L844 E845 Q846 L852 | L844-R848 VanDerWaalsContact O-CB 3.24Å; L844-R848 WeakPolarHBondContact O-CB 3.38Å; L844-R848 PolarHBondContact O-N 2.93Å; E845-R848 PolarHBondContact O-N 3Å; E845-R848 IonicContact OE1-CZ 3.56Å; E845-R848 IonicContact OE1-NE 3.95Å; E845-R848 IonicContact OE1-NH1 2.76Å; E845-R848 PolarHBondContact OE1-NH1 2.71Å; E845-R848 VanDerWaalsContact OE2-CD 3.3Å; E845-R848 WeakPolarHBondContact OE2-CD 3.49Å; E845-R848 IonicContact OE2-CZ 3.66Å; E845-R848 IonicContact OE2-NE 3.91Å; E845-R848 IonicContact OE2-NH1 2.69Å; E845-R848 PolarHBondContact OE2-NH1 3.29Å; Q846-R848 VanDerWaalsContact C-N 3.28Å; Q846-R848 PolarHBondContact O-N 3.36Å; R848-L852 WeakPolarHBondContact O-CB 3.49Å; R848-L852 PolarHBondContact O-N 2.94Å |
| 849 | Q | 93.8 | Very high | 94 | Very high | 113 Ų | 113 | 112.8 Ų | 112.8 | 53% | 0.528 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.8 | -39.1 | 174.1 | -72.7 | 176.1 | 41.1 | 0 | 0 | 111.9 | E845 Q846 L852 T853 | E845-Q849 VanDerWaalsContact O-CG 3.31Å; E845-Q849 WeakPolarHBondContact O-CG 3.48Å; E845-Q849 PolarHBondContact O-N 2.85Å; Q846-Q849 PolarHBondContact O-N 3.36Å; Q846-Q849 VanDerWaalsContact O-N 3.16Å; Q849-L852 PolarHBondContact O-N 3.28Å; Q849-T853 WeakPolarHBondContact O-CB 3.15Å; Q849-T853 PolarHBondContact O-N 3.39Å; Q849-T853 PolarHBondContact O-OG1 3.47Å |
| 850 | Q | 94 | Very high | 93.8 | Very high | 113 Ų | 113 | 108.9 Ų | 108.9 | 53% | 0.528 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.4 | -52.4 | 172 | 179 | 177 | -13.9 | 0 | 0 | 110.7 | Q846 Q847 L852 T853 E854 | Q846-Q850 PolarHBondContact O-N 2.88Å; Q847-Q850 PolarHBondContact O-N 2.89Å; Q850-L852 VanDerWaalsContact C-N 3.28Å; Q850-L852 PolarHBondContact O-N 3.17Å; Q850-T853 CarbonylContact O-C 3.51Å; Q850-T853 WeakPolarHBondContact O-CA 3.39Å; Q850-T853 WeakPolarHBondContact O-CB 3.34Å; Q850-T853 PolarHBondContact O-N 2.95Å; Q850-E854 HydrophobicContact CG-CG 4.3Å; Q850-E854 WeakPolarHBondContact CG-OE1 3.34Å; Q850-E854 PolarHBondContact NE2-OE1 3.18Å; Q850-E854 WeakPolarHBondContact O-CG 3.25Å; Q850-E854 PolarHBondContact O-N 3.48Å |
| 851 | L | 94.3 | Very high | 93.6 | Very high | 115 Ų | 115 | 107.7 Ų | 107.7 | 60% | 0.602 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.9 | -35.5 | 178.3 | -176.9 | 65.6 | 0 | 0 | 0 | 112.5 | Q847 T853 R855 | Q847-L851 WeakPolarHBondContact O-CB 3.47Å; Q847-L851 PolarHBondContact O-N 3.48Å; L851-T853 VanDerWaalsContact C-N 3.35Å; L851-R855 WeakPolarHBondContact O-CB 3.34Å; L851-R855 PolarHBondContact O-N 3.37Å |
| 852 | L | 94.8 | Very high | 93.3 | Very high | 99 Ų | 99 | 106.3 Ų | 106.3 | 52% | 0.518 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 172.3 | -170.1 | 77.8 | 0 | 0 | 0 | 111.2 | R848 Q849 Q850 R855 Q856 | R848-L852 WeakPolarHBondContact O-CB 3.49Å; R848-L852 PolarHBondContact O-N 2.94Å; Q849-L852 PolarHBondContact O-N 3.28Å; Q850-L852 VanDerWaalsContact C-N 3.28Å; Q850-L852 PolarHBondContact O-N 3.17Å; L852-R855 PolarHBondContact O-N 3Å; L852-Q856 WeakPolarHBondContact O-CG 3.34Å; L852-Q856 PolarHBondContact O-N 2.89Å |
| 853 | T | 94.3 | Very high | 93 | Very high | 80 Ų | 80 | 105.6 Ų | 105.6 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.3 | -47.9 | 179.5 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | Q849 Q850 L851 R855 Q856 T857 | Q849-T853 WeakPolarHBondContact O-CB 3.15Å; Q849-T853 PolarHBondContact O-N 3.39Å; Q849-T853 PolarHBondContact O-OG1 3.47Å; Q850-T853 CarbonylContact O-C 3.51Å; Q850-T853 WeakPolarHBondContact O-CA 3.39Å; Q850-T853 WeakPolarHBondContact O-CB 3.34Å; Q850-T853 PolarHBondContact O-N 2.95Å; L851-T853 VanDerWaalsContact C-N 3.35Å; T853-R855 VanDerWaalsContact C-N 3.26Å; T853-R855 PolarHBondContact O-N 3Å; T853-Q856 CarbonylContact O-C 3.34Å; T853-Q856 WeakPolarHBondContact O-CA 3.48Å; T853-Q856 WeakPolarHBondContact O-CB 3.44Å; T853-Q856 PolarHBondContact O-N 3.22Å; T853-T857 PolarHBondContact O-N 3.24Å; T853-T857 PolarHBondContact O-OG1 2.91Å |
| 854 | E | 93.9 | Very high | 92.8 | Very high | 95 Ų | 95 | 109 Ų | 109 | 44% | 0.444 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.2 | -37.4 | 173.7 | -71.6 | 174.5 | -177.2 | 0 | 0 | 111.9 | Q850 T857 F858 | Q850-E854 HydrophobicContact CG-CG 4.3Å; Q850-E854 WeakPolarHBondContact CG-OE1 3.34Å; Q850-E854 PolarHBondContact NE2-OE1 3.18Å; Q850-E854 WeakPolarHBondContact O-CG 3.25Å; Q850-E854 PolarHBondContact O-N 3.48Å; E854-T857 WeakPolarHBondContact CA-OG1 3.25Å; E854-T857 PolarHBondContact O-OG1 2.97Å; E854-T857 VanDerWaalsContact O-OG1 3.05Å; E854-F858 WeakPolarHBondContact O-CB 3.48Å; E854-F858 PolarHBondContact O-N 3.47Å |
| 855 | R | 93.9 | Very high | 92.3 | Very high | 189 Ų | 189 | 107.4 Ų | 107.4 | 71% | 0.713 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69.9 | -33.8 | 174.3 | -168.6 | 174.6 | -174.5 | -127.9 | -1.1 | 112.6 | L851 L852 T853 H859 | L851-R855 WeakPolarHBondContact O-CB 3.34Å; L851-R855 PolarHBondContact O-N 3.37Å; L852-R855 PolarHBondContact O-N 3Å; T853-R855 VanDerWaalsContact C-N 3.26Å; T853-R855 PolarHBondContact O-N 3Å; R855-H859 VanDerWaalsContact O-CB 3.29Å; R855-H859 WeakPolarHBondContact O-CB 3.41Å; R855-H859 PolarHBondContact O-N 2.88Å; R855-H859 VanDerWaalsContact O-N 3.08Å |
| 856 | Q | 91.8 | Very high | 91.9 | Very high | 117 Ų | 117 | 106 Ų | 106 | 55% | 0.547 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.9 | -43 | 173.5 | -74.3 | -179.4 | 28.2 | 0 | 0 | 112 | L852 T853 H859 T860 | L852-Q856 WeakPolarHBondContact O-CG 3.34Å; L852-Q856 PolarHBondContact O-N 2.89Å; T853-Q856 CarbonylContact O-C 3.34Å; T853-Q856 WeakPolarHBondContact O-CA 3.48Å; T853-Q856 WeakPolarHBondContact O-CB 3.44Å; T853-Q856 PolarHBondContact O-N 3.22Å; Q856-H859 PolarHBondContact O-N 3.18Å; Q856-T860 WeakPolarHBondContact O-CB 3.22Å; Q856-T860 PolarHBondContact O-N 3.45Å; Q856-T860 PolarHBondContact O-OG1 3.34Å |
| 857 | T | 92.1 | Very high | 91.5 | Very high | 84 Ų | 84 | 107.5 Ų | 107.5 | 52% | 0.515 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.5 | -46.4 | 176.5 | 56 | 0 | 0 | 0 | 0 | 110.5 | T853 E854 H859 T860 E861 | T853-T857 PolarHBondContact O-N 3.24Å; T853-T857 PolarHBondContact O-OG1 2.91Å; E854-T857 WeakPolarHBondContact CA-OG1 3.25Å; E854-T857 PolarHBondContact O-OG1 2.97Å; E854-T857 VanDerWaalsContact O-OG1 3.05Å; T857-H859 VanDerWaalsContact C-N 3.33Å; T857-H859 PolarHBondContact O-N 2.92Å; T857-T860 CarbonylContact O-C 3.08Å; T857-T860 WeakPolarHBondContact O-CB 3.32Å; T857-T860 PolarHBondContact O-N 2.59Å; T857-T860 VanDerWaalsContact O-N 3.13Å; T857-E861 WeakPolarHBondContact O-CB 3.18Å; T857-E861 PolarHBondContact O-N 3.3Å |
| 858 | F | 93.3 | Very high | 91 | Very high | 117 Ų | 117 | 107 Ų | 107 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.4 | -39.8 | 174.9 | 177.3 | -109.5 | 0 | 0 | 0 | 112.9 | E854 Q862 | E854-F858 WeakPolarHBondContact O-CB 3.48Å; E854-F858 PolarHBondContact O-N 3.47Å; F858-Q862 HydrophobicContact CE1-CG 4.48Å; F858-Q862 HydrophobicContact CE2-CG 4.27Å; F858-Q862 HydrophobicContact CZ-CG 4.2Å; F858-Q862 WeakPolarHBondContact O-CB 3.48Å; F858-Q862 PolarHBondContact O-N 3.42Å |
| 859 | H | 92.7 | Very high | 90.5 | Very high | 118 Ų | 118 | 105.3 Ų | 105.3 | 55% | 0.546 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.5 | -39 | 175.4 | -169.4 | 57 | 0 | 0 | 0 | 112 | R855 Q856 T857 Q862 L863 | R855-H859 VanDerWaalsContact O-CB 3.29Å; R855-H859 WeakPolarHBondContact O-CB 3.41Å; R855-H859 PolarHBondContact O-N 2.88Å; R855-H859 VanDerWaalsContact O-N 3.08Å; Q856-H859 PolarHBondContact O-N 3.18Å; T857-H859 VanDerWaalsContact C-N 3.33Å; T857-H859 PolarHBondContact O-N 2.92Å; H859-Q862 PolarHBondContact O-N 3.41Å; H859-L863 WeakPolarHBondContact O-CG 3.29Å; H859-L863 PolarHBondContact O-N 3.15Å |
| 860 | T | 91.2 | Very high | 89.8 | Confident | 71 Ų | 71 | 104.5 Ų | 104.5 | 44% | 0.436 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 175.2 | -55.3 | 0 | 0 | 0 | 0 | 111.5 | Q856 T857 L863 Q864 | Q856-T860 WeakPolarHBondContact O-CB 3.22Å; Q856-T860 PolarHBondContact O-N 3.45Å; Q856-T860 PolarHBondContact O-OG1 3.34Å; T857-T860 CarbonylContact O-C 3.08Å; T857-T860 WeakPolarHBondContact O-CB 3.32Å; T857-T860 PolarHBondContact O-N 2.59Å; T857-T860 VanDerWaalsContact O-N 3.13Å; T860-L863 WeakPolarHBondContact O-CB 3.43Å; T860-L863 PolarHBondContact O-N 3.39Å; T860-Q864 WeakPolarHBondContact O-CG 3.46Å; T860-Q864 PolarHBondContact O-N 3.43Å |
| 861 | E | 91 | Very high | 89 | Confident | 95 Ų | 95 | 106.7 Ų | 106.7 | 44% | 0.444 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 175.5 | -160.1 | -156.3 | 144.7 | 0 | 0 | 110.9 | T857 L863 Q864 Q865 | T857-E861 WeakPolarHBondContact O-CB 3.18Å; T857-E861 PolarHBondContact O-N 3.3Å; E861-L863 VanDerWaalsContact C-N 3.31Å; E861-L863 PolarHBondContact O-N 3.32Å; E861-Q864 CarbonylContact O-C 3.45Å; E861-Q864 PolarHBondContact O-N 3.45Å; E861-Q865 WeakPolarHBondContact O-CB 3.41Å; E861-Q865 WeakPolarHBondContact O-CG 3.4Å; E861-Q865 PolarHBondContact O-N 3.44Å; E861-Q865 PolarHBondContact OE1-NE2 2.83Å |
| 862 | Q | 88.6 | Confident | 88.1 | Confident | 102 Ų | 102 | 106.5 Ų | 106.5 | 48% | 0.477 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.3 | -35.3 | 172.8 | -80.1 | -145.2 | 62.4 | 0 | 0 | 113 | F858 H859 A866 | F858-Q862 HydrophobicContact CE1-CG 4.48Å; F858-Q862 HydrophobicContact CE2-CG 4.27Å; F858-Q862 HydrophobicContact CZ-CG 4.2Å; F858-Q862 WeakPolarHBondContact O-CB 3.48Å; F858-Q862 PolarHBondContact O-N 3.42Å; H859-Q862 PolarHBondContact O-N 3.41Å; Q862-A866 WeakPolarHBondContact O-CB 3.33Å; Q862-A866 PolarHBondContact O-N 2.74Å |
| 863 | L | 88.1 | Confident | 86.8 | Confident | 101 Ų | 101 | 107.3 Ų | 107.3 | 53% | 0.529 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 171.1 | -73.9 | 166.8 | 0 | 0 | 0 | 111.4 | H859 T860 E861 A866 E867 | H859-L863 WeakPolarHBondContact O-CG 3.29Å; H859-L863 PolarHBondContact O-N 3.15Å; T860-L863 WeakPolarHBondContact O-CB 3.43Å; T860-L863 PolarHBondContact O-N 3.39Å; E861-L863 VanDerWaalsContact C-N 3.31Å; E861-L863 PolarHBondContact O-N 3.32Å; L863-A866 PolarHBondContact O-N 2.96Å; L863-E867 WeakPolarHBondContact O-CB 3.44Å; L863-E867 PolarHBondContact O-N 3.43Å |
| 864 | Q | 88.4 | Confident | 85.4 | Confident | 107 Ų | 107 | 113.2 Ų | 113.2 | 50% | 0.5 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.5 | -41.2 | 174.9 | -71.4 | 176.2 | 4.6 | 0 | 0 | 112.7 | T860 E861 E867 M868 | T860-Q864 WeakPolarHBondContact O-CG 3.46Å; T860-Q864 PolarHBondContact O-N 3.43Å; E861-Q864 CarbonylContact O-C 3.45Å; E861-Q864 PolarHBondContact O-N 3.45Å; Q864-E867 PolarHBondContact O-N 3.17Å; Q864-M868 WeakPolarHBondContact O-CB 3.32Å; Q864-M868 WeakPolarHBondContact O-CG 3.28Å; Q864-M868 PolarHBondContact O-N 3.11Å |
| 865 | Q | 86.1 | Confident | 83.9 | Confident | 72 Ų | 72 | 114.1 Ų | 114.1 | 34% | 0.336 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.2 | -36 | 175 | -71.7 | -169.6 | 25.2 | 0 | 0 | 111.7 | E861 K869 | E861-Q865 WeakPolarHBondContact O-CB 3.41Å; E861-Q865 WeakPolarHBondContact O-CG 3.4Å; E861-Q865 PolarHBondContact O-N 3.44Å; E861-Q865 PolarHBondContact OE1-NE2 2.83Å; Q865-K869 WeakPolarHBondContact O-CB 3.44Å; Q865-K869 WeakPolarHBondContact O-CD 3.13Å; Q865-K869 VanDerWaalsContact O-CG 3.22Å; Q865-K869 WeakPolarHBondContact O-CG 3.33Å; Q865-K869 PolarHBondContact O-N 3.45Å |
| 866 | A | 85.2 | Confident | 82.2 | Confident | 47 Ų | 47 | 112.1 Ų | 112.1 | 39% | 0.388 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.5 | -43.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q862 L863 K869 V870 | Q862-A866 WeakPolarHBondContact O-CB 3.33Å; Q862-A866 PolarHBondContact O-N 2.74Å; L863-A866 PolarHBondContact O-N 2.96Å; A866-K869 PolarHBondContact O-N 2.87Å; A866-V870 WeakPolarHBondContact O-CB 3.3Å; A866-V870 WeakPolarHBondContact O-CG2 3.28Å; A866-V870 PolarHBondContact O-N 2.55Å |
| 867 | E | 85.6 | Confident | 80.3 | Confident | 141 Ų | 141 | 114 Ų | 114 | 66% | 0.659 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.9 | -44.1 | 174.1 | -172.4 | 179.4 | 177.9 | 0 | 0 | 111.3 | L863 Q864 K869 V870 R871 | L863-E867 WeakPolarHBondContact O-CB 3.44Å; L863-E867 PolarHBondContact O-N 3.43Å; Q864-E867 PolarHBondContact O-N 3.17Å; E867-K869 PolarHBondContact O-N 3.13Å; E867-V870 PolarHBondContact O-N 3.41Å; E867-R871 WeakPolarHBondContact O-CB 3.09Å; E867-R871 PolarHBondContact O-N 2.97Å |
| 868 | M | 84.4 | Confident | 78.4 | Confident | 113 Ų | 113 | 112.4 Ų | 112.4 | 56% | 0.557 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.4 | -36.9 | 173.8 | -76.4 | -164.6 | -70.1 | 0 | 0 | 112.6 | Q864 R871 Q872 | Q864-M868 WeakPolarHBondContact O-CB 3.32Å; Q864-M868 WeakPolarHBondContact O-CG 3.28Å; Q864-M868 PolarHBondContact O-N 3.11Å; M868-R871 PolarHBondContact O-N 3.2Å; M868-Q872 WeakPolarHBondContact O-CB 3.35Å; M868-Q872 WeakPolarHBondContact O-CG 3.21Å; M868-Q872 PolarHBondContact O-N 2.97Å |
| 869 | K | 83.5 | Confident | 75.9 | Confident | 123 Ų | 123 | 115.1 Ų | 115.1 | 54% | 0.535 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.5 | -40 | 174.3 | -76.4 | 164.4 | -176 | 163 | 0 | 112.2 | Q865 A866 E867 R871 Q872 Q873 | Q865-K869 WeakPolarHBondContact O-CB 3.44Å; Q865-K869 WeakPolarHBondContact O-CD 3.13Å; Q865-K869 VanDerWaalsContact O-CG 3.22Å; Q865-K869 WeakPolarHBondContact O-CG 3.33Å; Q865-K869 PolarHBondContact O-N 3.45Å; A866-K869 PolarHBondContact O-N 2.87Å; E867-K869 PolarHBondContact O-N 3.13Å; K869-R871 VanDerWaalsContact C-N 3.33Å; K869-Q872 PolarHBondContact O-N 3.37Å; K869-Q873 WeakPolarHBondContact O-CB 3.36Å; K869-Q873 WeakPolarHBondContact O-CG 3.2Å; K869-Q873 PolarHBondContact O-N 2.81Å |
| 870 | V | 79.8 | Confident | 73.7 | Confident | 95 Ų | 95 | 115.6 Ų | 115.6 | 58% | 0.576 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.7 | -38 | 172.8 | 168.6 | 0 | 0 | 0 | 0 | 110.9 | A866 E867 Q873 R874 | A866-V870 WeakPolarHBondContact O-CB 3.3Å; A866-V870 WeakPolarHBondContact O-CG2 3.28Å; A866-V870 PolarHBondContact O-N 2.55Å; E867-V870 PolarHBondContact O-N 3.41Å; V870-Q873 PolarHBondContact O-N 2.86Å; V870-R874 WeakPolarHBondContact O-CB 3.32Å; V870-R874 PolarHBondContact O-N 2.82Å |
| 871 | R | 77.3 | Confident | 70.9 | Confident | 159 Ų | 159 | 115.7 Ų | 115.7 | 60% | 0.6 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.2 | -46.7 | 174.3 | 179.5 | 173.8 | 175.3 | 167.9 | -1.3 | 111.8 | E867 M868 K869 Q873 R874 E875 | E867-R871 WeakPolarHBondContact O-CB 3.09Å; E867-R871 PolarHBondContact O-N 2.97Å; M868-R871 PolarHBondContact O-N 3.2Å; K869-R871 VanDerWaalsContact C-N 3.33Å; R871-Q873 VanDerWaalsContact C-N 3.33Å; R871-Q873 PolarHBondContact O-N 2.66Å; R871-R874 CarbonylContact O-C 3.54Å; R871-R874 WeakPolarHBondContact O-CB 3.34Å; R871-R874 PolarHBondContact O-N 3.26Å; R871-R874 VanDerWaalsContact O-N 3.11Å; R871-E875 HydrophobicContact CG-CG 4.5Å; R871-E875 VanDerWaalsContact CG-OE1 3.29Å; R871-E875 WeakPolarHBondContact CG-OE1 3.34Å; R871-E875 IonicContact CZ-OE1 2.65Å; R871-E875 IonicContact NE-OE1 2.7Å; R871-E875 PolarHBondContact NE-OE1 2.98Å; R871-E875 IonicContact NH2-OE1 3.58Å; R871-E875 WeakPolarHBondContact O-CB 3.31Å; R871-E875 WeakPolarHBondContact O-CG 3.41Å; R871-E875 PolarHBondContact O-N 2.9Å |
| 872 | Q | 75.1 | Confident | 68.4 | Low | 112 Ų | 112 | 121.5 Ų | 121.5 | 52% | 0.523 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -60.7 | -40.2 | 172.1 | -80.4 | -173.4 | -16.2 | 0 | 0 | 111.8 | M868 K869 R874 E875 Q876 | M868-Q872 WeakPolarHBondContact O-CB 3.35Å; M868-Q872 WeakPolarHBondContact O-CG 3.21Å; M868-Q872 PolarHBondContact O-N 2.97Å; K869-Q872 PolarHBondContact O-N 3.37Å; Q872-R874 VanDerWaalsContact C-N 3.34Å; Q872-R874 PolarHBondContact O-N 3.06Å; Q872-E875 PolarHBondContact O-N 3.13Å; Q872-Q876 VanDerWaalsContact O-CB 3.31Å; Q872-Q876 WeakPolarHBondContact O-CB 3.47Å; Q872-Q876 VanDerWaalsContact O-CG 3.25Å; Q872-Q876 WeakPolarHBondContact O-CG 3.3Å; Q872-Q876 PolarHBondContact O-N 3.06Å |
| 873 | Q | 67.1 | Low | 65.8 | Low | 115 Ų | 115 | 122.1 Ų | 122.1 | 54% | 0.537 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.1 | -35.5 | 173 | -80.3 | -170.7 | -14.8 | 0 | 0 | 112.4 | K869 V870 R871 Q876 Q877 | K869-Q873 WeakPolarHBondContact O-CB 3.36Å; K869-Q873 WeakPolarHBondContact O-CG 3.2Å; K869-Q873 PolarHBondContact O-N 2.81Å; V870-Q873 PolarHBondContact O-N 2.86Å; R871-Q873 VanDerWaalsContact C-N 3.33Å; R871-Q873 PolarHBondContact O-N 2.66Å; Q873-Q876 PolarHBondContact O-N 3.18Å; Q873-Q877 VanDerWaalsContact O-CB 3.26Å; Q873-Q877 WeakPolarHBondContact O-CB 3.4Å; Q873-Q877 VanDerWaalsContact O-CG 3.24Å; Q873-Q877 WeakPolarHBondContact O-CG 3.42Å; Q873-Q877 PolarHBondContact O-N 2.67Å |
| 874 | R | 64 | Low | 63.2 | Low | 205 Ų | 205 | 124.1 Ų | 124.1 | 77% | 0.774 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -69.7 | -36.4 | 174.5 | -173.2 | 179.8 | -179.9 | -168.8 | -0.4 | 112.2 | V870 R871 Q872 G878 | V870-R874 WeakPolarHBondContact O-CB 3.32Å; V870-R874 PolarHBondContact O-N 2.82Å; R871-R874 CarbonylContact O-C 3.54Å; R871-R874 WeakPolarHBondContact O-CB 3.34Å; R871-R874 PolarHBondContact O-N 3.26Å; R871-R874 VanDerWaalsContact O-N 3.11Å; Q872-R874 VanDerWaalsContact C-N 3.34Å; Q872-R874 PolarHBondContact O-N 3.06Å; R874-G878 PolarHBondContact O-N 3.25Å |
| 875 | E | 63.8 | Low | 60.7 | Low | 113 Ų | 113 | 126 Ų | 126 | 53% | 0.528 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -72 | -36.1 | 175 | -71.2 | 164.6 | -177.8 | 0 | 0 | 110.8 | R871 Q872 G878 | R871-E875 HydrophobicContact CG-CG 4.5Å; R871-E875 VanDerWaalsContact CG-OE1 3.29Å; R871-E875 WeakPolarHBondContact CG-OE1 3.34Å; R871-E875 IonicContact CZ-OE1 2.65Å; R871-E875 IonicContact NE-OE1 2.7Å; R871-E875 PolarHBondContact NE-OE1 2.98Å; R871-E875 IonicContact NH2-OE1 3.58Å; R871-E875 WeakPolarHBondContact O-CB 3.31Å; R871-E875 WeakPolarHBondContact O-CG 3.41Å; R871-E875 PolarHBondContact O-N 2.9Å; Q872-E875 PolarHBondContact O-N 3.13Å; E875-G878 PolarHBondContact O-N 3.07Å |
| 876 | Q | 57.9 | Low | 58.3 | Low | 148 Ų | 148 | 129.4 Ų | 129.4 | 69% | 0.692 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -75.6 | -33.3 | 173.7 | -72.5 | 174.5 | 12.9 | 0 | 0 | 113.8 | Q872 Q873 G878 | Q872-Q876 VanDerWaalsContact O-CB 3.31Å; Q872-Q876 WeakPolarHBondContact O-CB 3.47Å; Q872-Q876 VanDerWaalsContact O-CG 3.25Å; Q872-Q876 WeakPolarHBondContact O-CG 3.3Å; Q872-Q876 PolarHBondContact O-N 3.06Å; Q873-Q876 PolarHBondContact O-N 3.18Å; Q876-G878 PolarHBondContact O-N 3.39Å |
| 877 | Q | 51.7 | Low | 55.9 | Low | 155 Ų | 155 | 132.2 Ų | 132.2 | 72% | 0.724 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 4.7 | 168.1 | -68.7 | 176.3 | 25.2 | 0 | 0 | 112.3 | Q873 Q879 | Q873-Q877 VanDerWaalsContact O-CB 3.26Å; Q873-Q877 WeakPolarHBondContact O-CB 3.4Å; Q873-Q877 VanDerWaalsContact O-CG 3.24Å; Q873-Q877 WeakPolarHBondContact O-CG 3.42Å; Q873-Q877 PolarHBondContact O-N 2.67Å; Q877-Q879 PolarHBondContact O-N 3.04Å |
| 878 | G | 51.2 | Low | 53.5 | Low | 52 Ų | 52 | 128.9 Ų | 128.9 | 54% | 0.536 | 67% | 0.669 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.4 | 3.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | R874 E875 Q876 | R874-G878 PolarHBondContact O-N 3.25Å; E875-G878 PolarHBondContact O-N 3.07Å; Q876-G878 PolarHBondContact O-N 3.39Å |
| 879 | Q | 41.3 | Very low | 51.2 | Low | 173 Ų | 173 | 132.8 Ų | 132.8 | 81% | 0.808 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -155.1 | 154.6 | 165.7 | -111.4 | 156.9 | 73.9 | 0 | 0 | 112.1 | Q877 | Q877-Q879 PolarHBondContact O-N 3.04Š|
| 880 | P | 45.6 | Very low | 48.8 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 84% | 0.838 | 70% | 0.696 | S | S | * | * | trans | -98.9 | 140.9 | -161.8 | 36.1 | -33.8 | 0 | 0 | 0 | 115.6 | ||||
| 881 | G | 34.2 | Very low | 46.6 | Very low | 72 Ų | 72 | 132.1 Ų | 132.1 | 74% | 0.742 | 71% | 0.707 | S | S | * | * | trans | 173.7 | 94.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 882 | Y | 36.5 | Very low | 44.6 | Very low | 218 Ų | 218 | 128.5 Ų | 128.5 | 86% | 0.855 | 71% | 0.711 | S | S | * | * | trans | 57.9 | 106.9 | 148.5 | -86.1 | -93.2 | 0 | 0 | 0 | 124 | ||||
| 883 | T | 34.5 | Very low | 42.7 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 70% | 0.699 | 73% | 0.725 | S | S | * | * | trans | 76.2 | 122.9 | 131.3 | 45.2 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 884 | M | 34.5 | Very low | 41.2 | Very low | 144 Ų | 144 | 134 Ų | 134 | 71% | 0.709 | 73% | 0.733 | S | S | * | * | trans | 83.4 | 113.8 | 135 | -70.4 | -70.9 | -94.4 | 0 | 0 | 123.4 | ||||
| 885 | Q | 35.2 | Very low | 39.9 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | trans | 58.2 | 154.3 | 135.6 | -77.6 | 178.6 | -18.1 | 0 | 0 | 120.7 | ||||
| 886 | H | 36.5 | Very low | 38.6 | Very low | 145 Ų | 145 | 131.4 Ų | 131.4 | 67% | 0.671 | 74% | 0.74 | S | S | * | * | cis | -152.3 | 142.1 | 11.8 | -136.8 | -71.6 | 0 | 0 | 0 | 113.5 | ||||
| 887 | S | 33.6 | Very low | 38.4 | Very low | 106 Ų | 106 | 130.2 Ų | 130.2 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | trans | 12.3 | 145.2 | 154.3 | 63.3 | 0 | 0 | 0 | 0 | 126 | ||||
| 888 | G | 35.2 | Very low | 37.7 | Very low | 70 Ų | 70 | 126.5 Ų | 126.5 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | trans | 136.3 | 117.2 | 151.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 889 | Q | 35.8 | Very low | 36.8 | Very low | 196 Ų | 196 | 127.9 Ų | 127.9 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | 63.2 | 132 | 55 | -64.3 | -171.8 | -2 | 0 | 0 | 113.9 | |||||
| 890 | S | 33.9 | Very low | 36.7 | Very low | 108 Ų | 108 | 128.1 Ų | 128.1 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | cis | -168.8 | 174.3 | -2.7 | 48 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 891 | A | 32.6 | Very low | 36.1 | Very low | 96 Ų | 96 | 126 Ų | 126 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | trans | -9.1 | 164.4 | 151.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 892 | A | 35.8 | Very low | 36.2 | Very low | 83 Ų | 83 | 131.4 Ų | 131.4 | 69% | 0.686 | 78% | 0.777 | S | S | * | * | cis | 178.1 | -179.2 | -16.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 893 | N | 35.6 | Very low | 36 | Very low | 152 Ų | 152 | 128.1 Ų | 128.1 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | 68.2 | 167 | 163 | -77.3 | -21.4 | 0 | 0 | 0 | 118 | ||||
| 894 | R | 36.4 | Very low | 36 | Very low | 190 Ų | 190 | 131.3 Ų | 131.3 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | cis | -179.8 | 169.1 | -26.7 | -175.4 | 179 | 177.1 | -150.2 | 2.8 | 109.1 | ||||
| 895 | M | 35.1 | Very low | 36 | Very low | 135 Ų | 135 | 128.7 Ų | 128.7 | 67% | 0.665 | 79% | 0.79 | S | S | * | * | trans | 75.9 | 148.9 | 161.3 | -90.4 | 125 | 157.3 | 0 | 0 | 118.1 | ||||
| 896 | V | 37.3 | Very low | 36.8 | Very low | 129 Ų | 129 | 127.4 Ų | 127.4 | 78% | 0.782 | 79% | 0.794 | S | S | * | * | cis | 79.3 | 143.9 | 10.4 | -172.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 897 | P | 54.8 | Low | 36.8 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | cis | -114.9 | -154.1 | -17.9 | 42 | -25.3 | 0 | 0 | 0 | 111.1 | ||||
| 898 | G | 35.2 | Very low | 37.1 | Very low | 78 Ų | 78 | 134.8 Ų | 134.8 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | cis | 120.2 | 117.5 | -14.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 899 | G | 34 | Very low | 37.8 | Very low | 80 Ų | 80 | 137.5 Ų | 137.5 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | 148.3 | 136.1 | 161.4 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 900 | N | 37.4 | Very low | 37.5 | Very low | 179 Ų | 179 | 132 Ų | 132 | 96% | 0.957 | 81% | 0.807 | S | S | * | * | trans | 19 | 150 | 152.2 | -62.2 | 0.5 | 0 | 0 | 0 | 126.1 | ||||
| 901 | G | 34.1 | Very low | 37.6 | Very low | 84 Ų | 84 | 131.5 Ų | 131.5 | 87% | 0.866 | 81% | 0.81 | S | S | * | * | trans | 178.8 | 134.2 | 156.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 902 | Q | 35.5 | Very low | 38.5 | Very low | 185 Ų | 185 | 133 Ų | 133 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -108.3 | 163.8 | -175.5 | -61.2 | 167.8 | -26.4 | 0 | 0 | 113.9 | ||||
| 903 | T | 32.5 | Very low | 38.5 | Very low | 150 Ų | 150 | 136.9 Ų | 136.9 | 92% | 0.92 | 82% | 0.821 | S | S | * | * | 173.5 | -176.7 | 126.3 | 34.1 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 904 | M | 35.8 | Very low | 38.3 | Very low | 181 Ų | 181 | 133.2 Ų | 133.2 | 89% | 0.892 | 82% | 0.819 | S | S | * | * | trans | -112.2 | 151.9 | -147.8 | -76.9 | -90 | -152.2 | 0 | 0 | 118.9 | ||||
| 905 | A | 32.8 | Very low | 38 | Very low | 89 Ų | 89 | 133.5 Ų | 133.5 | 74% | 0.736 | 83% | 0.831 | S | S | * | * | trans | 72 | 173 | 139.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 906 | P | 53.8 | Low | 37.9 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 77% | 0.766 | 84% | 0.84 | S | S | * | * | -141.9 | 169.3 | -58.4 | 41.9 | -26.5 | 0 | 0 | 0 | 118.6 | |||||
| 907 | R | 34.8 | Very low | 38.3 | Very low | 228 Ų | 228 | 136.5 Ų | 136.5 | 86% | 0.86 | 84% | 0.836 | S | S | * | * | trans | 72 | 109.6 | 150.9 | -82.3 | -172.9 | 165.8 | -167.5 | -3.8 | 124.8 | ||||
| 908 | H | 40.1 | Very low | 37.1 | Very low | 178 Ų | 178 | 135.5 Ų | 135.5 | 82% | 0.824 | 83% | 0.832 | S | S | * | * | trans | 57.1 | 171.3 | 131.2 | -76.1 | -51.9 | 0 | 0 | 0 | 122.8 | ||||
| 909 | P | 49.7 | Very low | 37 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | cis | -130.5 | -176.5 | -3.3 | 42 | -25.8 | 0 | 0 | 0 | 116.5 | ||||
| 910 | G | 30.8 | Very low | 36.9 | Very low | 79 Ų | 79 | 142.6 Ų | 142.6 | 81% | 0.814 | 84% | 0.836 | S | S | * | * | trans | 150.8 | 135.8 | 155.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 911 | A | 34.8 | Very low | 37.4 | Very low | 98 Ų | 98 | 138.9 Ų | 138.9 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | trans | -158.6 | 164.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 912 | P | 52.5 | Low | 37.2 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | -158.5 | -171.5 | 99.2 | 42.2 | -21.5 | 0 | 0 | 0 | 117.8 | |||||
| 913 | N | 35.9 | Very low | 37.1 | Very low | 166 Ų | 166 | 137 Ų | 137 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | trans | -64.4 | 174.4 | 178.8 | -51.2 | -19.9 | 0 | 0 | 0 | 115.3 | ||||
| 914 | G | 31.5 | Very low | 37 | Very low | 74 Ų | 74 | 137 Ų | 137 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | cis | 131.9 | 127.5 | -4.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 915 | M | 29.7 | Very low | 36.8 | Very low | 197 Ų | 197 | 132.1 Ų | 132.1 | 97% | 0.97 | 80% | 0.801 | S | S | * | * | trans | -164 | 156 | 179.8 | -121.5 | 169.4 | 175.6 | 0 | 0 | 115.7 | ||||
| 916 | Y | 32 | Very low | 36.7 | Very low | 221 Ų | 221 | 133.5 Ų | 133.5 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -107.6 | -179.6 | 164.8 | -99.9 | -101 | 0 | 0 | 0 | 108.5 | ||||
| 917 | P | 46.6 | Very low | 35.6 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 69% | 0.688 | 81% | 0.81 | S | S | * | * | cis | -144.5 | -175.9 | 15 | 40.2 | -17.9 | 0 | 0 | 0 | 119.1 | ||||
| 918 | S | 30.5 | Very low | 35.6 | Very low | 101 Ų | 101 | 130.4 Ų | 130.4 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | trans | 81.5 | 150.3 | 137.6 | 63.3 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 919 | S | 31.3 | Very low | 35.2 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | 85.5 | 131.3 | 156.3 | 23.4 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 920 | Q | 32.7 | Very low | 34.6 | Very low | 187 Ų | 187 | 127.6 Ų | 127.6 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -78.2 | 179.3 | 161.5 | -98.8 | 178.6 | -29.5 | 0 | 0 | 111 | ||||
| 921 | P | 48.4 | Very low | 35.4 | Very low | 102 Ų | 102 | 129 Ų | 129 | 66% | 0.662 | 80% | 0.799 | S | S | * | * | cis | -147.4 | -160.2 | 29.5 | 43.9 | -21.4 | 0 | 0 | 0 | 117.6 | ||||
| 922 | D | 29.9 | Very low | 35.8 | Very low | 163 Ų | 163 | 129.8 Ų | 129.8 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | 81.7 | 149.5 | 156.6 | -64.2 | -15.9 | 0 | 0 | 0 | 121.7 | ||||
| 923 | G | 32.9 | Very low | 34.9 | Very low | 66 Ų | 66 | 128.7 Ų | 128.7 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | trans | -170.9 | 160.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 924 | T | 29.8 | Very low | 34.7 | Very low | 149 Ų | 149 | 126 Ų | 126 | 91% | 0.914 | 79% | 0.785 | S | S | * | * | trans | 179.5 | 167.8 | 176.4 | 24.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 925 | A | 31.3 | Very low | 34.7 | Very low | 79 Ų | 79 | 127.2 Ų | 127.2 | 65% | 0.653 | 78% | 0.782 | S | S | * | * | cis | -172.9 | 155.1 | -37 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 926 | S | 31 | Very low | 34.9 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | 52.2 | 123.6 | 162.2 | 63.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 927 | A | 30.9 | Very low | 35.5 | Very low | 103 Ų | 103 | 123.8 Ų | 123.8 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | -173.2 | 142.7 | 129.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 928 | Q | 34.7 | Very low | 34.9 | Very low | 177 Ų | 177 | 124.7 Ų | 124.7 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | trans | -91.8 | 166.1 | 159.4 | -59.3 | -178.7 | -56.5 | 0 | 0 | 109.3 | ||||
| 929 | P | 32.8 | Very low | 35.1 | Very low | 126 Ų | 126 | 125.9 Ų | 125.9 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | -148.8 | 148.3 | 89.1 | 36.9 | -19.1 | 0 | 0 | 0 | 116.8 | |||||
| 930 | T | 36.2 | Very low | 35.3 | Very low | 120 Ų | 120 | 126.3 Ų | 126.3 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | trans | -87.7 | 165.5 | 146.4 | 56.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 931 | P | 47.6 | Very low | 35.5 | Very low | 110 Ų | 110 | 122.8 Ų | 122.8 | 71% | 0.714 | 79% | 0.792 | S | S | * | * | cis | -139.8 | -145.5 | 42.1 | 44.4 | -22.2 | 0 | 0 | 0 | 110.5 | ||||
| 932 | P | 42.7 | Very low | 34.7 | Very low | 113 Ų | 113 | 124.1 Ų | 124.1 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | cis | -117.3 | 164.3 | -16.4 | 40.3 | -25.9 | 0 | 0 | 0 | 113.3 | ||||
| 933 | S | 34.7 | Very low | 35 | Very low | 105 Ų | 105 | 121.5 Ų | 121.5 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | cis | 81.8 | 92.3 | 21.7 | 85.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 934 | S | 31.8 | Very low | 35.2 | Very low | 109 Ų | 109 | 125.4 Ų | 125.4 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | -159 | 118.7 | 155.5 | 57.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 935 | S | 31.8 | Very low | 35.6 | Very low | 100 Ų | 100 | 123.6 Ų | 123.6 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | trans | 47.7 | 109.7 | 151.7 | 56.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 936 | H | 33.5 | Very low | 35.9 | Very low | 186 Ų | 186 | 127.3 Ų | 127.3 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | 65.7 | 94.6 | 67.1 | -67.7 | -71.6 | 0 | 0 | 0 | 115 | |||||
| 937 | S | 43.3 | Very low | 36.4 | Very low | 160 Ų | 160 | 128.1 Ų | 128.1 | 100% | 1.119 | 81% | 0.805 | S | S | * | * | -158.2 | 0 | 127.7 | -70.6 | 0 | 0 | 0 | 0 | 107.6 |
Retrieved 937 of 937 residues in 233.8 ms
(Link to these results)