| 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 | 34.2 | Very low | 35.2 | Very low | 228 Ų | 228 | 143.5 Ų | 143.5 | 100% | 1.123 | 81% | 0.809 | S | S | * | * | 0 | 120.9 | 0 | -80.2 | 176.1 | 71.3 | 0 | 0 | 108.7 | |||||
| 2 | L | 32.3 | Very low | 35.3 | Very low | 153 Ų | 153 | 141.3 Ų | 141.3 | 80% | 0.801 | 81% | 0.808 | S | S | * | * | trans | 55.2 | 93.8 | 152.8 | -74.6 | 130.2 | 0 | 0 | 0 | 122 | ||||
| 3 | L | 35.3 | Very low | 35.2 | Very low | 159 Ų | 159 | 143.3 Ų | 143.3 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | 39.4 | 132 | 110.7 | -101.6 | 122.7 | 0 | 0 | 0 | 123.3 | |||||
| 4 | S | 38.5 | Very low | 35.2 | Very low | 101 Ų | 101 | 141.4 Ų | 141.4 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | trans | 102.9 | 144.3 | 139.1 | -38.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 5 | V | 39.9 | Very low | 35.1 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | cis | 178.9 | 146.9 | -2.5 | 133.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 6 | L | 36.3 | Very low | 35.3 | Very low | 146 Ų | 146 | 137.3 Ų | 137.3 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | trans | 70.7 | 142.2 | 148.8 | -79.5 | 162.1 | 0 | 0 | 0 | 127.4 | ||||
| 7 | L | 34.1 | Very low | 35.1 | Very low | 144 Ų | 144 | 139.6 Ų | 139.6 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | trans | 105.7 | 85.2 | 135.3 | -92.7 | 146.6 | 0 | 0 | 0 | 122.3 | ||||
| 8 | V | 37 | Very low | 35 | Very low | 119 Ų | 119 | 138.1 Ų | 138.1 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | 30.7 | 138.8 | 115.6 | 179.4 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 9 | L | 32.8 | Very low | 34.8 | Very low | 171 Ų | 171 | 140.6 Ų | 140.6 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | trans | 108.9 | 128.7 | 149.9 | -90.7 | 153.7 | 0 | 0 | 0 | 118.7 | ||||
| 10 | G | 33.3 | Very low | 34.8 | Very low | 66 Ų | 66 | 139.6 Ų | 139.6 | 68% | 0.68 | 80% | 0.797 | S | S | * | * | trans | -99.2 | -177.1 | -166.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 11 | L | 34 | Very low | 34.9 | Very low | 171 Ų | 171 | 141.1 Ų | 141.1 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | trans | -160.7 | 128.9 | 164.7 | -104.1 | 154 | 0 | 0 | 0 | 108.7 | L13 | L11-L13 PolarHBondContact O-N 3.31Š| ||
| 12 | C | 36.6 | Very low | 35.4 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -53.7 | 124.5 | 175.5 | -57.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 13 | L | 34 | Very low | 36.2 | Very low | 167 Ų | 167 | 136.9 Ų | 136.9 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | trans | -107.4 | 95.8 | 159.1 | -76.8 | 170 | 0 | 0 | 0 | 108 | L11 P15 | L11-L13 PolarHBondContact O-N 3.31Å; L13-P15 WeakPolarHBondContact O-CD 3.39Å | ||
| 14 | V | 34 | Very low | 37.3 | Very low | 116 Ų | 116 | 138 Ų | 138 | 70% | 0.703 | 77% | 0.766 | S | S | * | * | trans | -67.1 | 121.4 | 160.3 | 178 | 0 | 0 | 0 | 0 | 106.7 | S16 | V14-S16 PolarHBondContact O-N 3.33Å; V14-S16 VanDerWaalsContact O-N 3.12Å | ||
| 15 | P | 34.9 | Very low | 38.4 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 74% | 0.74 | 74% | 0.74 | S | S | * | * | trans | -77.5 | 96.6 | 161.3 | 6 | 11.3 | 0 | 0 | 0 | 106.8 | L13 Q17 | L13-P15 WeakPolarHBondContact O-CD 3.39Å; P15-Q17 PolarHBondContact O-N 3.44Å | ||
| 16 | S | 37.9 | Very low | 39.7 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | trans | -68.5 | 86.4 | 158.5 | 67.8 | 0 | 0 | 0 | 0 | 107.7 | V14 | V14-S16 PolarHBondContact O-N 3.33Å; V14-S16 VanDerWaalsContact O-N 3.12Å | ||
| 17 | Q | 31.3 | Very low | 41.3 | Very low | 176 Ų | 176 | 126.2 Ų | 126.2 | 82% | 0.822 | 70% | 0.704 | S | S | * | * | trans | -120.1 | 74.4 | 158 | -78.3 | -169.9 | -10.9 | 0 | 0 | 107.6 | P15 K19 | P15-Q17 PolarHBondContact O-N 3.44Å; Q17-K19 VanDerWaalsContact C-N 3.29Å; Q17-K19 PolarHBondContact O-N 3.42Å | ||
| 18 | S | 33 | Very low | 43.6 | Very low | 112 Ų | 112 | 124.3 Ų | 124.3 | 78% | 0.783 | 70% | 0.701 | S | S | * | * | trans | -59.6 | 102 | 149.2 | 42.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 19 | K | 31.2 | Very low | 45.9 | Very low | 186 Ų | 186 | 121.3 Ų | 121.3 | 81% | 0.809 | 68% | 0.678 | S | S | * | * | trans | -52.6 | 134.9 | 155.1 | -81.6 | 179.9 | 174.4 | 179 | 0 | 106.5 | Q17 M21 | Q17-K19 VanDerWaalsContact C-N 3.29Å; Q17-K19 PolarHBondContact O-N 3.42Å; K19-M21 PolarHBondContact O-N 3.09Å | ||
| 20 | P | 35.3 | Very low | 48.3 | Very low | 121 Ų | 121 | 113.3 Ų | 113.3 | 79% | 0.786 | 64% | 0.636 | S | S | * | * | trans | -59.4 | 115.4 | 165.8 | 16.5 | -12.5 | 0 | 0 | 0 | 105.7 | E22 | P20-E22 VanDerWaalsContact C-N 3.35Å; P20-E22 PolarHBondContact O-N 3.14Å | ||
| 21 | M | 36.9 | Very low | 51 | Low | 172 Ų | 172 | 113.1 Ų | 113.1 | 85% | 0.847 | 62% | 0.618 | S | S | * | * | trans | -62.3 | 103.8 | 169.6 | -160.3 | 171.5 | 75 | 0 | 0 | 104.6 | K19 E23 | K19-M21 PolarHBondContact O-N 3.09Å; M21-E23 PolarHBondContact O-N 3.29Å | ||
| 22 | E | 45.2 | Very low | 53.7 | Low | 153 Ų | 153 | 112 Ų | 112 | 72% | 0.715 | 61% | 0.605 | S | S | * | * | trans | -52 | 115.1 | 169.2 | -81.1 | 173.7 | 157.3 | 0 | 0 | 106.6 | P20 R24 | P20-E22 VanDerWaalsContact C-N 3.35Å; P20-E22 PolarHBondContact O-N 3.14Å; E22-R24 VanDerWaalsContact C-N 3.3Å; E22-R24 PolarHBondContact O-N 3.43Å | ||
| 23 | E | 49.3 | Very low | 56.3 | Low | 139 Ų | 139 | 106.3 Ų | 106.3 | 65% | 0.65 | 57% | 0.567 | S | S | * | * | trans | -61.2 | 94.3 | 175.6 | -98.1 | 179.1 | 147.8 | 0 | 0 | 108.1 | M21 | M21-E23 PolarHBondContact O-N 3.29Š| ||
| 24 | R | 58.8 | Low | 59.1 | Low | 183 Ų | 183 | 99.1 Ų | 99.1 | 69% | 0.691 | 53% | 0.529 | S | S | * | . | trans | -74.2 | 131 | 174.2 | -66.4 | -179.7 | -178.5 | -171.8 | -2 | 108.4 | E22 G26 | E22-R24 VanDerWaalsContact C-N 3.3Å; E22-R24 PolarHBondContact O-N 3.43Å; R24-G26 PolarHBondContact O-N 2.81Å; R24-G26 VanDerWaalsContact O-N 3.09Å | ||
| 25 | L | 61.5 | Low | 62 | Low | 29 Ų | 29 | 98.7 Ų | 98.7 | 15% | 0.152 | 52% | 0.519 | C | S | . | . | trans | -69.2 | 106.9 | 178.6 | -63.2 | 164.3 | 0 | 0 | 0 | 108.2 | F29 V94 V98 L111 L112 | L25-F29 HydrophobicContact CB-CD1 3.81Å; L25-F29 HydrophobicContact CB-CE1 4.27Å; L25-F29 HydrophobicContact CB-CG 4.46Å; L25-F29 HydrophobicContact CD1-CD1 4.22Å; L25-F29 HydrophobicContact CD1-CE1 3.81Å; L25-F29 HydrophobicContact CD2-CD1 3.86Å; L25-F29 HydrophobicContact CD2-CD2 4.43Å; L25-F29 HydrophobicContact CD2-CE1 3.8Å; L25-F29 HydrophobicContact CD2-CE2 4.38Å; L25-F29 HydrophobicContact CD2-CG 4.18Å; L25-F29 HydrophobicContact CD2-CZ 4.07Å; L25-F29 HydrophobicContact CG-CD1 4.17Å; L25-F29 HydrophobicContact CG-CE1 4.17Å; L25-V94 HydrophobicContact CD1-CG1 4.15Å; L25-V98 HydrophobicContact CD1-CG2 3.49Å; L25-V98 VanDerWaalsContact CD1-CG2 3.49Å; L25-V98 HydrophobicContact CD2-CG2 4.35Å; L25-V98 HydrophobicContact CG-CG2 4.5Å; L25-L111 HydrophobicContact CD1-CB 3.57Å; L25-L111 HydrophobicContact CD1-CD1 4.09Å; L25-L111 HydrophobicContact CG-CB 4.15Å; L25-L112 HydrophobicContact CB-CD2 4.15Å; L25-L112 HydrophobicContact CD1-CD2 3.99Å | ||
| 26 | G | 66.4 | Low | 64.9 | Low | 39 Ų | 39 | 97 Ų | 97 | 40% | 0.402 | 50% | 0.502 | S | S | . | . | trans | -67.2 | 155.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R24 P28 F29 | R24-G26 PolarHBondContact O-N 2.81Å; R24-G26 VanDerWaalsContact O-N 3.09Å; G26-P28 VanDerWaalsContact C-N 3.27Å; G26-P28 WeakPolarHBondContact O-CD 3.45Å; G26-F29 WeakPolarHBondContact O-CB 3.32Å; G26-F29 PolarHBondContact O-N 2.92Å | ||
| 27 | S | 70.9 | Confident | 67.5 | Low | 50 Ų | 50 | 92.1 Ų | 92.1 | 35% | 0.35 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -42.1 | -38.5 | 176.5 | 172.6 | 0 | 0 | 0 | 0 | 116 | F29 L30 H31 | S27-F29 VanDerWaalsContact C-N 3.32Å; S27-F29 PolarHBondContact O-N 3.47Å; S27-L30 PolarHBondContact O-N 3.06Å; S27-H31 PolarHBondContact O-N 2.82Å; S27-H31 PolarHBondContact O-ND1 3.4Å; S27-H31 PolarHBondContact OG-CE1 2.79Å; S27-H31 PolarHBondContact OG-ND1 2.86Å |
| 28 | P | 82 | Confident | 70.5 | Confident | 104 Ų | 104 | 86.8 Ų | 86.8 | 68% | 0.675 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -61.7 | -34.1 | 175.4 | -25.6 | 35.8 | 0 | 0 | 0 | 114.6 | G26 K32 | G26-P28 VanDerWaalsContact C-N 3.27Å; G26-P28 WeakPolarHBondContact O-CD 3.45Å; P28-K32 PolarHBondContact O-N 3.35Å; P28-K32 VanDerWaalsContact O-N 3.08Å |
| 29 | F | 84 | Confident | 73.5 | Confident | 56 Ų | 56 | 88 Ų | 88 | 25% | 0.246 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -66.5 | -41.8 | 176.7 | 169.4 | -93.2 | 0 | 0 | 0 | 111.2 | L25 G26 S27 K32 C33 V94 K97 | L25-F29 HydrophobicContact CB-CD1 3.81Å; L25-F29 HydrophobicContact CB-CE1 4.27Å; L25-F29 HydrophobicContact CB-CG 4.46Å; L25-F29 HydrophobicContact CD1-CD1 4.22Å; L25-F29 HydrophobicContact CD1-CE1 3.81Å; L25-F29 HydrophobicContact CD2-CD1 3.86Å; L25-F29 HydrophobicContact CD2-CD2 4.43Å; L25-F29 HydrophobicContact CD2-CE1 3.8Å; L25-F29 HydrophobicContact CD2-CE2 4.38Å; L25-F29 HydrophobicContact CD2-CG 4.18Å; L25-F29 HydrophobicContact CD2-CZ 4.07Å; L25-F29 HydrophobicContact CG-CD1 4.17Å; L25-F29 HydrophobicContact CG-CE1 4.17Å; G26-F29 WeakPolarHBondContact O-CB 3.32Å; G26-F29 PolarHBondContact O-N 2.92Å; S27-F29 VanDerWaalsContact C-N 3.32Å; S27-F29 PolarHBondContact O-N 3.47Å; F29-K32 PolarHBondContact O-N 3Å; F29-C33 PolarHBondContact O-N 3.2Å; F29-C33 PolarHBondContact O-SG 3.33Å; F29-V94 HydrophobicContact CE1-CB 4.41Å; F29-V94 HydrophobicContact CE1-CG1 4.15Å; F29-V94 HydrophobicContact CE1-CG2 4.01Å; F29-K97 HydrophobicContact CE2-CB 4.07Å; F29-K97 HydrophobicContact CE2-CD 4.01Å; F29-K97 HydrophobicContact CZ-CB 3.89Å; F29-K97 HydrophobicContact CZ-CD 4.18Å |
| 30 | L | 84.2 | Confident | 76.4 | Confident | 4 Ų | 4 | 81.3 Ų | 81.3 | 2% | 0.021 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65 | -45.5 | 177.3 | -74.9 | 167.4 | 0 | 0 | 0 | 112.1 | S27 K32 C33 F34 V94 L112 D116 | S27-L30 PolarHBondContact O-N 3.06Å; L30-K32 VanDerWaalsContact C-N 3.28Å; L30-K32 PolarHBondContact O-N 3.48Å; L30-C33 PolarHBondContact O-N 3.09Å; L30-C33 VanDerWaalsContact O-N 3.11Å; L30-F34 WeakPolarHBondContact O-CB 3.33Å; L30-F34 PolarHBondContact O-N 3.37Å; L30-V94 HydrophobicContact CD2-CG2 3.84Å; L30-L112 HydrophobicContact CD1-CD2 4.03Å; L30-L112 HydrophobicContact CD2-CD1 4Å; L30-L112 HydrophobicContact CD2-CD2 3.65Å; L30-L112 HydrophobicContact CD2-CG 4.49Å; L30-L112 HydrophobicContact CG-CD2 4.13Å; L30-D116 HydrophobicContact CD1-CB 3.35Å; L30-D116 WeakPolarHBondContact CD1-OD1 3.46Å |
| 31 | H | 88.8 | Confident | 79.1 | Confident | 61 Ų | 61 | 75.6 Ų | 75.6 | 28% | 0.282 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -57.8 | -43.3 | 175 | -78.5 | 80.6 | 0 | 0 | 0 | 111.3 | S27 C33 F34 E35 E119 | S27-H31 PolarHBondContact O-N 2.82Å; S27-H31 PolarHBondContact O-ND1 3.4Å; S27-H31 PolarHBondContact OG-CE1 2.79Å; S27-H31 PolarHBondContact OG-ND1 2.86Å; H31-C33 PolarHBondContact O-N 3.31Å; H31-F34 PolarHBondContact O-N 2.84Å; H31-E35 WeakPolarHBondContact O-CG 3.03Å; H31-E35 PolarHBondContact O-N 3.46Å; H31-E119 IonicContact CE1-OE1 3.95Å; H31-E119 IonicContact NE2-OE1 2.7Å |
| 32 | K | 90.8 | Very high | 81.8 | Confident | 147 Ų | 147 | 69.4 Ų | 69.4 | 64% | 0.639 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -62.3 | -40.8 | 175.5 | -172.8 | 176.5 | -178.3 | 177 | 0 | 112.6 | P28 F29 L30 F34 E36 | P28-K32 PolarHBondContact O-N 3.35Å; P28-K32 VanDerWaalsContact O-N 3.08Å; F29-K32 PolarHBondContact O-N 3Å; L30-K32 VanDerWaalsContact C-N 3.28Å; L30-K32 PolarHBondContact O-N 3.48Å; K32-F34 VanDerWaalsContact C-N 3.35Å; K32-E36 PolarHBondContact O-N 2.78Å |
| 33 | C | 91.4 | Very high | 84 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.5 | -37.4 | 175.5 | -64.6 | 0 | 0 | 0 | 0 | 111.9 | F29 L30 H31 A37 T90 L93 V94 | F29-C33 PolarHBondContact O-N 3.2Å; F29-C33 PolarHBondContact O-SG 3.33Å; L30-C33 PolarHBondContact O-N 3.09Å; L30-C33 VanDerWaalsContact O-N 3.11Å; H31-C33 PolarHBondContact O-N 3.31Å; C33-A37 VanDerWaalsContact O-CB 3.3Å; C33-A37 WeakPolarHBondContact O-CB 3.42Å; C33-A37 PolarHBondContact O-N 3.44Å; C33-T90 HydrophobicContact CB-CG2 4.06Å; C33-L93 HydrophobicContact CB-CB 4.32Å; C33-L93 WeakPolarHBondContact O-CD1 3.48Å; C33-V94 HydrophobicContact CB-CG2 4.03Å |
| 34 | F | 93.1 | Very high | 85.9 | Confident | 15 Ų | 15 | 60 Ų | 60 | 7% | 0.066 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.7 | -48.4 | 176.3 | 168.7 | -104.4 | 0 | 0 | 0 | 111.8 | L30 H31 K32 E36 A37 K38 Y86 T90 I123 T124 | L30-F34 WeakPolarHBondContact O-CB 3.33Å; L30-F34 PolarHBondContact O-N 3.37Å; H31-F34 PolarHBondContact O-N 2.84Å; K32-F34 VanDerWaalsContact C-N 3.35Å; F34-E36 VanDerWaalsContact C-N 3.29Å; F34-E36 PolarHBondContact O-N 2.89Å; F34-A37 PolarHBondContact O-N 3.19Å; F34-A37 VanDerWaalsContact O-N 3.17Å; F34-K38 HydrophobicContact CE1-CD 4.23Å; F34-K38 HydrophobicContact CZ-CB 4.46Å; F34-K38 HydrophobicContact CZ-CD 4.11Å; F34-K38 VanDerWaalsContact O-CB 3.26Å; F34-K38 WeakPolarHBondContact O-CB 3.41Å; F34-K38 PolarHBondContact O-N 3.12Å; F34-Y86 HydrophobicContact CE2-CD2 4.35Å; F34-Y86 HydrophobicContact CE2-CG 4.46Å; F34-T90 HydrophobicContact CB-CG2 4.13Å; F34-I123 HydrophobicContact CB-CD1 3.79Å; F34-I123 HydrophobicContact CD1-CB 4.48Å; F34-I123 HydrophobicContact CD1-CD1 3.96Å; F34-I123 HydrophobicContact CD1-CG1 4.24Å; F34-I123 HydrophobicContact CD2-CD1 4.19Å; F34-I123 HydrophobicContact CD2-CG1 4.05Å; F34-I123 HydrophobicContact CE1-CB 4.35Å; F34-I123 HydrophobicContact CE1-CG1 4.48Å; F34-I123 HydrophobicContact CE2-CG1 4.31Å; F34-I123 HydrophobicContact CG-CD1 3.69Å; F34-I123 HydrophobicContact CG-CG1 4Å; F34-I123 HydrophobicContact CZ-CB 4.45Å; F34-I123 WeakPolarHBondContact CZ-O 3.05Å; F34-T124 HydrophobicContact CD2-CG2 3.86Å; F34-T124 HydrophobicContact CE2-CG2 3.89Å |
| 35 | E | 95.7 | Very high | 87.4 | Confident | 107 Ų | 107 | 52 Ų | 52 | 50% | 0.5 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.7 | -39.4 | 178.7 | -70.6 | -54.8 | 142.5 | 0 | 0 | 112 | H31 K39 | H31-E35 WeakPolarHBondContact O-CG 3.03Å; H31-E35 PolarHBondContact O-N 3.46Å; E35-K39 WeakPolarHBondContact O-CB 3.35Å; E35-K39 PolarHBondContact O-N 2.99Å |
| 36 | E | 94.8 | Very high | 88.8 | Confident | 80 Ų | 80 | 56.7 Ų | 56.7 | 37% | 0.374 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.6 | -44.1 | 174.6 | -172.5 | 177.7 | 168.5 | 0 | 0 | 111.9 | K32 F34 K39 I40 L93 K97 | K32-E36 PolarHBondContact O-N 2.78Å; F34-E36 VanDerWaalsContact C-N 3.29Å; F34-E36 PolarHBondContact O-N 2.89Å; E36-K39 PolarHBondContact O-N 3.26Å; E36-I40 HydrophobicContact CG-CD1 4.33Å; E36-I40 VanDerWaalsContact O-CG1 3.32Å; E36-I40 WeakPolarHBondContact O-CG1 3.31Å; E36-I40 PolarHBondContact O-N 2.64Å; E36-L93 HydrophobicContact CB-CD1 3.82Å; E36-L93 HydrophobicContact CG-CD1 3.75Å; E36-K97 WeakPolarHBondContact OE2-CE 3.29Å; E36-K97 IonicContact OE2-NZ 3.5Å; E36-K97 PolarHBondContact OE2-NZ 2.69Å |
| 37 | A | 93.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | C33 F34 K39 I40 V41 Q89 T90 L93 | C33-A37 VanDerWaalsContact O-CB 3.3Å; C33-A37 WeakPolarHBondContact O-CB 3.42Å; C33-A37 PolarHBondContact O-N 3.44Å; F34-A37 PolarHBondContact O-N 3.19Å; F34-A37 VanDerWaalsContact O-N 3.17Å; A37-K39 VanDerWaalsContact C-N 3.34Å; A37-K39 PolarHBondContact O-N 3.3Å; A37-I40 PolarHBondContact O-N 2.8Å; A37-V41 WeakPolarHBondContact O-CG2 3.47Å; A37-V41 PolarHBondContact O-N 3.42Å; A37-Q89 HydrophobicContact CB-CB 3.75Å; A37-T90 WeakPolarHBondContact CB-OG1 3.34Å; A37-L93 HydrophobicContact CB-CD1 3.94Å |
| 38 | K | 95.2 | Very high | 90.5 | Very high | 65 Ų | 65 | 56 Ų | 56 | 28% | 0.283 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.4 | -48.8 | 176.4 | 176.5 | 175.2 | 170.9 | 50.6 | 0 | 110.3 | F34 V41 D42 Y86 | F34-K38 HydrophobicContact CE1-CD 4.23Å; F34-K38 HydrophobicContact CZ-CB 4.46Å; F34-K38 HydrophobicContact CZ-CD 4.11Å; F34-K38 VanDerWaalsContact O-CB 3.26Å; F34-K38 WeakPolarHBondContact O-CB 3.41Å; F34-K38 PolarHBondContact O-N 3.12Å; K38-V41 PolarHBondContact O-N 3.34Å; K38-D42 WeakPolarHBondContact CG-OD2 3.37Å; K38-D42 IonicContact NZ-OD2 3.48Å; K38-D42 PolarHBondContact NZ-OD2 3.08Å; K38-D42 VanDerWaalsContact O-CB 3.28Å; K38-D42 WeakPolarHBondContact O-CB 3.21Å; K38-D42 VanDerWaalsContact O-CG 3.3Å; K38-D42 PolarHBondContact O-N 2.93Å; K38-Y86 HydrophobicContact CB-CD1 4.42Å; K38-Y86 HydrophobicContact CB-CE1 4.2Å; K38-Y86 HydrophobicContact CG-CE1 3.94Å; K38-Y86 PolarHBondContact NZ-OH 2.93Å |
| 39 | K | 95.1 | Very high | 90.6 | Very high | 137 Ų | 137 | 58.7 Ų | 58.7 | 60% | 0.596 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -58.5 | -48.4 | 175.9 | -175.5 | 173.8 | -178.9 | 174.5 | 0 | 112.1 | E35 E36 A37 V41 D42 D43 | E35-K39 WeakPolarHBondContact O-CB 3.35Å; E35-K39 PolarHBondContact O-N 2.99Å; E36-K39 PolarHBondContact O-N 3.26Å; A37-K39 VanDerWaalsContact C-N 3.34Å; A37-K39 PolarHBondContact O-N 3.3Å; K39-V41 VanDerWaalsContact C-N 3.34Å; K39-V41 PolarHBondContact O-N 2.75Å; K39-D42 PolarHBondContact O-N 2.6Å; K39-D43 WeakPolarHBondContact CG-OD2 3.27Å; K39-D43 VanDerWaalsContact O-CB 3.26Å; K39-D43 WeakPolarHBondContact O-CB 3.37Å; K39-D43 VanDerWaalsContact O-CG 3.22Å; K39-D43 PolarHBondContact O-N 3.04Å |
| 40 | I | 92.3 | Very high | 90.6 | Very high | 46 Ų | 46 | 61 Ų | 61 | 24% | 0.236 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.9 | -47.2 | 178.2 | -69.9 | 165.6 | 0 | 0 | 0 | 111.4 | E36 A37 A44 L93 F246 | E36-I40 HydrophobicContact CG-CD1 4.33Å; E36-I40 VanDerWaalsContact O-CG1 3.32Å; E36-I40 WeakPolarHBondContact O-CG1 3.31Å; E36-I40 PolarHBondContact O-N 2.64Å; A37-I40 PolarHBondContact O-N 2.8Å; I40-A44 VanDerWaalsContact O-CB 3.24Å; I40-A44 WeakPolarHBondContact O-CB 3.09Å; I40-A44 PolarHBondContact O-N 3.37Å; I40-A44 VanDerWaalsContact O-N 3.09Å; I40-L93 HydrophobicContact CD1-CD1 4.25Å; I40-L93 HydrophobicContact CD1-CD2 4.48Å; I40-F246 HydrophobicContact CG2-CB 4.34Å |
| 41 | V | 92.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.7 | -46.3 | -178.6 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | A37 K38 K39 A44 Y45 R82 D85 Y86 Q89 F246 | A37-V41 WeakPolarHBondContact O-CG2 3.47Å; A37-V41 PolarHBondContact O-N 3.42Å; K38-V41 PolarHBondContact O-N 3.34Å; K39-V41 VanDerWaalsContact C-N 3.34Å; K39-V41 PolarHBondContact O-N 2.75Å; V41-A44 PolarHBondContact O-N 3.28Å; V41-Y45 HydrophobicContact CG1-CD1 4.04Å; V41-Y45 HydrophobicContact CG1-CE1 3.77Å; V41-Y45 WeakPolarHBondContact O-CB 3.5Å; V41-Y45 VanDerWaalsContact O-CD1 3.23Å; V41-Y45 WeakPolarHBondContact O-CD1 3.39Å; V41-Y45 PolarHBondContact O-N 3.17Å; V41-R82 HydrophobicContact CG1-CG 4.35Å; V41-D85 HydrophobicContact CG1-CB 4.09Å; V41-D85 HydrophobicContact CG2-CB 4.16Å; V41-Y86 HydrophobicContact CB-CD1 3.68Å; V41-Y86 HydrophobicContact CB-CE1 3.7Å; V41-Y86 HydrophobicContact CG1-CD1 3.7Å; V41-Y86 HydrophobicContact CG1-CE1 3.6Å; V41-Y86 HydrophobicContact CG2-CD1 4Å; V41-Q89 HydrophobicContact CG2-CB 4.17Å; V41-Q89 HydrophobicContact CG2-CG 3.64Å; V41-F246 HydrophobicContact CG2-CD1 4.26Å; V41-F246 HydrophobicContact CG2-CE1 4.25Å |
| 42 | D | 93.4 | Very high | 89.9 | Confident | 42 Ų | 42 | 59.3 Ų | 59.3 | 23% | 0.225 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.4 | -42.1 | -178.1 | -73.4 | -17.4 | 0 | 0 | 0 | 111.4 | K38 K39 Y45 K46 R82 Y86 | K38-D42 WeakPolarHBondContact CG-OD2 3.37Å; K38-D42 IonicContact NZ-OD2 3.48Å; K38-D42 PolarHBondContact NZ-OD2 3.08Å; K38-D42 VanDerWaalsContact O-CB 3.28Å; K38-D42 WeakPolarHBondContact O-CB 3.21Å; K38-D42 VanDerWaalsContact O-CG 3.3Å; K38-D42 PolarHBondContact O-N 2.93Å; K39-D42 PolarHBondContact O-N 2.6Å; D42-Y45 PolarHBondContact O-N 3.09Å; D42-K46 VanDerWaalsContact O-CB 3.24Å; D42-K46 WeakPolarHBondContact O-CB 3.44Å; D42-K46 PolarHBondContact O-N 2.83Å; D42-R82 IonicContact OD1-NE 2.84Å; D42-Y86 WeakPolarHBondContact OD1-CE1 3.11Å; D42-Y86 PolarHBondContact OD1-OH 2.77Å; D42-Y86 PolarHBondContact OD2-OH 3.28Å |
| 43 | D | 91.9 | Very high | 89.1 | Confident | 87 Ų | 87 | 55 Ų | 55 | 47% | 0.465 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 175.6 | -72.4 | -16 | 0 | 0 | 0 | 111.3 | K39 K46 Y47 | K39-D43 WeakPolarHBondContact CG-OD2 3.27Å; K39-D43 VanDerWaalsContact O-CB 3.26Å; K39-D43 WeakPolarHBondContact O-CB 3.37Å; K39-D43 VanDerWaalsContact O-CG 3.22Å; K39-D43 PolarHBondContact O-N 3.04Å; D43-K46 PolarHBondContact O-N 3.37Å; D43-Y47 WeakPolarHBondContact O-CB 3.26Å; D43-Y47 PolarHBondContact O-N 3.38Å |
| 44 | A | 89.2 | Confident | 88.5 | Confident | 9 Ų | 9 | 60.3 Ų | 60.3 | 7% | 0.074 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65 | -40.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I40 V41 S48 F246 | I40-A44 VanDerWaalsContact O-CB 3.24Å; I40-A44 WeakPolarHBondContact O-CB 3.09Å; I40-A44 PolarHBondContact O-N 3.37Å; I40-A44 VanDerWaalsContact O-N 3.09Å; V41-A44 PolarHBondContact O-N 3.28Å; A44-S48 WeakPolarHBondContact O-CB 3.27Å; A44-S48 PolarHBondContact O-N 3.14Å; A44-S48 PolarHBondContact O-OG 3.23Å; A44-F246 HydrophobicContact CB-CD1 4.18Å; A44-F246 HydrophobicContact CB-CE1 4.14Å |
| 45 | Y | 90.5 | Very high | 87.5 | Confident | 14 Ų | 14 | 60.7 Ų | 60.7 | 6% | 0.055 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.2 | -42.3 | 176.3 | -84.7 | 36.8 | 0 | 0 | 0 | 111.7 | V41 D42 S48 R49 R82 D85 P241 F246 | V41-Y45 HydrophobicContact CG1-CD1 4.04Å; V41-Y45 HydrophobicContact CG1-CE1 3.77Å; V41-Y45 WeakPolarHBondContact O-CB 3.5Å; V41-Y45 VanDerWaalsContact O-CD1 3.23Å; V41-Y45 WeakPolarHBondContact O-CD1 3.39Å; V41-Y45 PolarHBondContact O-N 3.17Å; D42-Y45 PolarHBondContact O-N 3.09Å; Y45-S48 PolarHBondContact O-N 2.86Å; Y45-R49 WeakPolarHBondContact O-CB 3.48Å; Y45-R49 PolarHBondContact O-N 3.35Å; Y45-R82 HydrophobicContact CE2-CB 4Å; Y45-R82 HydrophobicContact CE2-CG 4.13Å; Y45-D85 PolarHBondContact OH-OD2 3.17Å; Y45-P241 HydrophobicContact CD1-CB 4.03Å; Y45-P241 HydrophobicContact CD2-CB 3.84Å; Y45-P241 HydrophobicContact CD2-CG 4.28Å; Y45-P241 HydrophobicContact CE1-CB 3.76Å; Y45-P241 HydrophobicContact CE1-CG 4Å; Y45-P241 HydrophobicContact CE2-CB 3.58Å; Y45-P241 HydrophobicContact CE2-CG 3.52Å; Y45-P241 HydrophobicContact CG-CB 4.08Å; Y45-P241 WeakPolarHBondContact OH-CD 3.37Å; Y45-P241 WeakPolarHBondContact OH-CG 3.38Å; Y45-F246 HydrophobicContact CD1-CE1 4.34Å; Y45-F246 AromaticContact CE1-CE1 3.97Å; Y45-F246 HydrophobicContact CE1-CE1 3.97Å; Y45-F246 AromaticContact CE1-CZ 3.97Å; Y45-F246 HydrophobicContact CE1-CZ 3.97Å |
| 46 | K | 89.2 | Confident | 86.1 | Confident | 127 Ų | 127 | 55.8 Ų | 55.8 | 55% | 0.552 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -59.4 | -52 | 176.3 | -179.4 | 176.8 | 175.5 | -180 | 0 | 110.2 | D42 D43 S48 R49 E50 | D42-K46 VanDerWaalsContact O-CB 3.24Å; D42-K46 WeakPolarHBondContact O-CB 3.44Å; D42-K46 PolarHBondContact O-N 2.83Å; D43-K46 PolarHBondContact O-N 3.37Å; K46-S48 VanDerWaalsContact C-N 3.32Å; K46-S48 PolarHBondContact O-N 3.15Å; K46-R49 PolarHBondContact O-N 3.32Å; K46-E50 WeakPolarHBondContact CE-OE1 3.45Å; K46-E50 HydrophobicContact CG-CG 4.45Å; K46-E50 WeakPolarHBondContact CG-OE1 3.42Å; K46-E50 WeakPolarHBondContact O-CB 3.4Å; K46-E50 WeakPolarHBondContact O-CG 3.3Å; K46-E50 PolarHBondContact O-N 2.92Å |
| 47 | Y | 88.5 | Confident | 84.8 | Confident | 73 Ų | 73 | 59.7 Ų | 59.7 | 29% | 0.286 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -53.6 | -49.6 | 174.9 | 175.3 | -88.9 | 0 | 0 | 0 | 111.6 | D43 R49 E50 E51 I243 R244 | D43-Y47 WeakPolarHBondContact O-CB 3.26Å; D43-Y47 PolarHBondContact O-N 3.38Å; Y47-R49 VanDerWaalsContact C-N 3.31Å; Y47-R49 PolarHBondContact O-N 3.1Å; Y47-E50 PolarHBondContact O-N 2.98Å; Y47-E51 HydrophobicContact CE1-CB 4.33Å; Y47-E51 WeakPolarHBondContact O-CB 2.94Å; Y47-E51 PolarHBondContact O-N 3.49Å; Y47-I243 HydrophobicContact CD1-CD1 4.37Å; Y47-I243 HydrophobicContact CD1-CG1 4.19Å; Y47-I243 HydrophobicContact CE1-CD1 3.9Å; Y47-I243 HydrophobicContact CE1-CG1 4Å; Y47-R244 HydrophobicContact CD1-CG 3.64Å; Y47-R244 HydrophobicContact CE1-CG 3.58Å |
| 48 | S | 85.8 | Confident | 83.4 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.007 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.6 | -37.6 | -176.8 | -56.3 | 0 | 0 | 0 | 0 | 112.3 | A44 Y45 K46 S52 P241 S242 I243 | A44-S48 WeakPolarHBondContact O-CB 3.27Å; A44-S48 PolarHBondContact O-N 3.14Å; A44-S48 PolarHBondContact O-OG 3.23Å; Y45-S48 PolarHBondContact O-N 2.86Å; K46-S48 VanDerWaalsContact C-N 3.32Å; K46-S48 PolarHBondContact O-N 3.15Å; S48-S52 WeakPolarHBondContact O-CB 3.42Å; S48-S52 PolarHBondContact O-N 3.45Å; S48-S52 PolarHBondContact O-OG 3.38Å; S48-P241 VanDerWaalsContact CB-O 3.3Å; S48-P241 WeakPolarHBondContact CB-O 3.39Å; S48-S242 WeakPolarHBondContact OG-CA 3.35Å; S48-I243 PolarHBondContact OG-N 2.85Å |
| 49 | R | 82.8 | Confident | 81.6 | Confident | 161 Ų | 161 | 68.8 Ų | 68.8 | 61% | 0.608 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -69 | -48.9 | 175.9 | -179 | -177.4 | 176.5 | -167.2 | -2.3 | 111.5 | Y45 K46 Y47 E51 S52 L53 | Y45-R49 WeakPolarHBondContact O-CB 3.48Å; Y45-R49 PolarHBondContact O-N 3.35Å; K46-R49 PolarHBondContact O-N 3.32Å; Y47-R49 VanDerWaalsContact C-N 3.31Å; Y47-R49 PolarHBondContact O-N 3.1Å; R49-E51 VanDerWaalsContact C-N 3.32Å; R49-E51 PolarHBondContact O-N 2.89Å; R49-S52 PolarHBondContact O-N 3.18Å; R49-L53 HydrophobicContact CG-CD1 4.06Å; R49-L53 WeakPolarHBondContact O-CB 3.37Å; R49-L53 VanDerWaalsContact O-CG 3.29Å; R49-L53 WeakPolarHBondContact O-CG 3.38Å; R49-L53 PolarHBondContact O-N 2.92Å |
| 50 | E | 84.5 | Confident | 79.8 | Confident | 105 Ų | 105 | 67.7 Ų | 67.7 | 49% | 0.491 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.6 | -44.3 | 178.9 | -74.1 | 172.3 | 175.9 | 0 | 0 | 110.9 | K46 Y47 L53 R54 | K46-E50 WeakPolarHBondContact CE-OE1 3.45Å; K46-E50 HydrophobicContact CG-CG 4.45Å; K46-E50 WeakPolarHBondContact CG-OE1 3.42Å; K46-E50 WeakPolarHBondContact O-CB 3.4Å; K46-E50 WeakPolarHBondContact O-CG 3.3Å; K46-E50 PolarHBondContact O-N 2.92Å; Y47-E50 PolarHBondContact O-N 2.98Å; E50-L53 PolarHBondContact O-N 2.63Å; E50-R54 VanDerWaalsContact O-CB 3.27Å; E50-R54 WeakPolarHBondContact O-CB 3.46Å; E50-R54 PolarHBondContact O-N 2.83Å |
| 51 | E | 82.8 | Confident | 78.4 | Confident | 22 Ų | 22 | 66.2 Ų | 66.2 | 10% | 0.103 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.9 | -44.1 | 178 | -178 | 56.7 | -165.5 | 0 | 0 | 111.5 | Y47 R49 L53 R54 R55 I243 | Y47-E51 HydrophobicContact CE1-CB 4.33Å; Y47-E51 WeakPolarHBondContact O-CB 2.94Å; Y47-E51 PolarHBondContact O-N 3.49Å; R49-E51 VanDerWaalsContact C-N 3.32Å; R49-E51 PolarHBondContact O-N 2.89Å; E51-L53 VanDerWaalsContact C-N 3.34Å; E51-L53 PolarHBondContact O-N 2.86Å; E51-R54 PolarHBondContact O-N 2.84Å; E51-R54 IonicContact OE1-CZ 3.18Å; E51-R54 IonicContact OE1-NE 3.44Å; E51-R54 IonicContact OE1-NH2 3.64Å; E51-R54 PolarHBondContact OE1-NH2 3.26Å; E51-R54 IonicContact OE2-CZ 2.85Å; E51-R54 IonicContact OE2-NE 3.55Å; E51-R54 PolarHBondContact OE2-NE 2.99Å; E51-R54 IonicContact OE2-NH2 2.74Å; E51-R54 PolarHBondContact OE2-NH2 3.15Å; E51-R55 WeakPolarHBondContact O-CB 3.48Å; E51-R55 VanDerWaalsContact O-CG 3.23Å; E51-R55 WeakPolarHBondContact O-CG 3.26Å; E51-R55 PolarHBondContact O-N 2.7Å; E51-R55 IonicContact OE1-CZ 3.16Å; E51-R55 IonicContact OE1-NE 3.76Å; E51-R55 PolarHBondContact OE1-NE 3.28Å; E51-R55 IonicContact OE1-NH2 3.12Å; E51-R55 PolarHBondContact OE1-NH2 3.37Å; E51-I243 HydrophobicContact CB-CD1 4.04Å; E51-I243 HydrophobicContact CG-CD1 3.73Å |
| 52 | S | 75.3 | Confident | 77.1 | Confident | 8 Ų | 8 | 68.5 Ų | 68.5 | 6% | 0.056 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.4 | -44.6 | 174.2 | -63.8 | 0 | 0 | 0 | 0 | 111.5 | S48 R49 R55 V56 | S48-S52 WeakPolarHBondContact O-CB 3.42Å; S48-S52 PolarHBondContact O-N 3.45Å; S48-S52 PolarHBondContact O-OG 3.38Å; R49-S52 PolarHBondContact O-N 3.18Å; S52-R55 PolarHBondContact O-N 2.87Å; S52-V56 WeakPolarHBondContact O-CG2 3.26Å; S52-V56 PolarHBondContact O-N 3.25Å |
| 53 | L | 74 | Confident | 75.6 | Confident | 55 Ų | 55 | 66.5 Ų | 66.5 | 29% | 0.288 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 176.9 | -76.2 | 173.4 | 0 | 0 | 0 | 112 | R49 E50 E51 R55 V56 R57 | R49-L53 HydrophobicContact CG-CD1 4.06Å; R49-L53 WeakPolarHBondContact O-CB 3.37Å; R49-L53 VanDerWaalsContact O-CG 3.29Å; R49-L53 WeakPolarHBondContact O-CG 3.38Å; R49-L53 PolarHBondContact O-N 2.92Å; E50-L53 PolarHBondContact O-N 2.63Å; E51-L53 VanDerWaalsContact C-N 3.34Å; E51-L53 PolarHBondContact O-N 2.86Å; L53-R55 VanDerWaalsContact C-N 3.31Å; L53-R55 PolarHBondContact O-N 2.76Å; L53-V56 WeakPolarHBondContact O-CG2 3.44Å; L53-V56 PolarHBondContact O-N 2.87Å; L53-R57 WeakPolarHBondContact O-CB 3.49Å; L53-R57 VanDerWaalsContact O-CG 3.24Å; L53-R57 WeakPolarHBondContact O-CG 3.41Å; L53-R57 PolarHBondContact O-N 2.85Å |
| 54 | R | 78.7 | Confident | 74.3 | Confident | 113 Ų | 113 | 65.1 Ų | 65.1 | 43% | 0.426 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 176.1 | -171 | -169.7 | 71.8 | 97.7 | 4.7 | 110.8 | E50 E51 R57 K58 | E50-R54 VanDerWaalsContact O-CB 3.27Å; E50-R54 WeakPolarHBondContact O-CB 3.46Å; E50-R54 PolarHBondContact O-N 2.83Å; E51-R54 PolarHBondContact O-N 2.84Å; E51-R54 IonicContact OE1-CZ 3.18Å; E51-R54 IonicContact OE1-NE 3.44Å; E51-R54 IonicContact OE1-NH2 3.64Å; E51-R54 PolarHBondContact OE1-NH2 3.26Å; E51-R54 IonicContact OE2-CZ 2.85Å; E51-R54 IonicContact OE2-NE 3.55Å; E51-R54 PolarHBondContact OE2-NE 2.99Å; E51-R54 IonicContact OE2-NH2 2.74Å; E51-R54 PolarHBondContact OE2-NH2 3.15Å; R54-R57 PolarHBondContact O-N 3.36Å; R54-K58 WeakPolarHBondContact O-CG 3.2Å; R54-K58 PolarHBondContact O-N 3.43Å |
| 55 | R | 73.1 | Confident | 73.5 | Confident | 22 Ų | 22 | 65 Ų | 65 | 8% | 0.083 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.1 | -38 | 178.4 | -69.7 | 176.7 | -168.9 | 176.8 | 5.1 | 112.4 | E51 S52 L53 R57 K58 D65 D253 | E51-R55 WeakPolarHBondContact O-CB 3.48Å; E51-R55 VanDerWaalsContact O-CG 3.23Å; E51-R55 WeakPolarHBondContact O-CG 3.26Å; E51-R55 PolarHBondContact O-N 2.7Å; E51-R55 IonicContact OE1-CZ 3.16Å; E51-R55 IonicContact OE1-NE 3.76Å; E51-R55 PolarHBondContact OE1-NE 3.28Å; E51-R55 IonicContact OE1-NH2 3.12Å; E51-R55 PolarHBondContact OE1-NH2 3.37Å; S52-R55 PolarHBondContact O-N 2.87Å; L53-R55 VanDerWaalsContact C-N 3.31Å; L53-R55 PolarHBondContact O-N 2.76Å; R55-R57 VanDerWaalsContact C-N 3.34Å; R55-K58 PolarHBondContact O-N 2.88Å; R55-D65 VanDerWaalsContact CD-CG 3.46Å; R55-D65 WeakPolarHBondContact CD-OD1 3.21Å; R55-D65 VanDerWaalsContact CD-OD2 3.24Å; R55-D65 WeakPolarHBondContact CD-OD2 3.47Å; R55-D65 IonicContact CZ-OD1 3.19Å; R55-D65 IonicContact NE-OD1 3.21Å; R55-D65 IonicContact NH1-OD1 3.36Å; R55-D65 PolarHBondContact NH1-OD1 2.94Å; R55-D253 IonicContact CZ-OD2 3.65Å; R55-D253 IonicContact NH1-OD2 3.55Å; R55-D253 PolarHBondContact NH1-OD2 3.06Å; R55-D253 IonicContact NH2-OD2 2.72Å; R55-D253 PolarHBondContact NH2-OD2 2.95Å; R55-D253 VanDerWaalsContact NH2-OD2 3.15Å |
| 56 | V | 64.9 | Low | 72.5 | Confident | 4 Ų | 4 | 64.3 Ų | 64.3 | 2% | 0.024 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 2 | 176.1 | -59.6 | 0 | 0 | 0 | 0 | 115.7 | S52 L53 V61 L69 V364 Q365 | S52-V56 WeakPolarHBondContact O-CG2 3.26Å; S52-V56 PolarHBondContact O-N 3.25Å; L53-V56 WeakPolarHBondContact O-CG2 3.44Å; L53-V56 PolarHBondContact O-N 2.87Å; V56-V61 HydrophobicContact CB-CG2 4.48Å; V56-V61 HydrophobicContact CG1-CG1 4.33Å; V56-V61 HydrophobicContact CG1-CG2 4.17Å; V56-L69 HydrophobicContact CG1-CD1 3.2Å; V56-V364 HydrophobicContact CB-CG1 4.01Å; V56-V364 HydrophobicContact CG1-CG1 4.09Å; V56-V364 HydrophobicContact CG2-CG1 4.1Å; V56-Q365 WeakPolarHBondContact O-CB 3.11Å; V56-Q365 VanDerWaalsContact O-CD 3.3Å; V56-Q365 WeakPolarHBondContact O-CG 3.48Å; V56-Q365 PolarHBondContact O-N 3.48Å; V56-Q365 PolarHBondContact O-OE1 3.12Å |
| 57 | R | 67.8 | Low | 71.8 | Confident | 163 Ų | 163 | 59.3 Ų | 59.3 | 62% | 0.615 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -8.6 | 167.9 | -75.2 | 173.3 | 178.4 | -175.9 | -0.6 | 112 | L53 R54 R55 Q365 | L53-R57 WeakPolarHBondContact O-CB 3.49Å; L53-R57 VanDerWaalsContact O-CG 3.24Å; L53-R57 WeakPolarHBondContact O-CG 3.41Å; L53-R57 PolarHBondContact O-N 2.85Å; R54-R57 PolarHBondContact O-N 3.36Å; R55-R57 VanDerWaalsContact C-N 3.34Å; R57-Q365 VanDerWaalsContact C-OE1 3.22Å; R57-Q365 PolarHBondContact O-NE2 3.35Å; R57-Q365 PolarHBondContact O-OE1 3.03Å |
| 58 | K | 64.7 | Low | 71.3 | Confident | 106 Ų | 106 | 56 Ų | 56 | 46% | 0.461 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -93.6 | 145.1 | 175.1 | -72.1 | 179.9 | 170.8 | -163.8 | 0 | 110.2 | R54 R55 E60 Q365 | R54-K58 WeakPolarHBondContact O-CG 3.2Å; R54-K58 PolarHBondContact O-N 3.43Å; R55-K58 PolarHBondContact O-N 2.88Å; K58-E60 PolarHBondContact O-N 2.94Å; K58-Q365 PolarHBondContact O-OE1 3.48Å |
| 59 | D | 56.3 | Low | 70.9 | Confident | 149 Ų | 149 | 57.6 Ų | 57.6 | 80% | 0.797 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -59 | -14.5 | 179.9 | -65.4 | -35.2 | 0 | 0 | 0 | 114.3 | ||
| 60 | E | 58.6 | Low | 70.8 | Confident | 114 Ų | 114 | 50.1 Ų | 50.1 | 53% | 0.533 | 23% | 0.228 | S | C | . | . | trans | -122.7 | 111.3 | 173.7 | -59.6 | -167.4 | 156.8 | 0 | 0 | 110.9 | K58 H565 | K58-E60 PolarHBondContact O-N 2.94Å; E60-H565 IonicContact OE1-CE1 2.7Å; E60-H565 IonicContact OE1-NE2 2.67Å; E60-H565 IonicContact OE2-CD2 2.92Å; E60-H565 IonicContact OE2-CE1 3.65Å; E60-H565 IonicContact OE2-NE2 3.18Å; E60-H565 PolarHBondContact OE2-NE2 3.33Å | ||
| 61 | V | 62.9 | Low | 70.9 | Confident | 15 Ų | 15 | 46.9 Ų | 46.9 | 9% | 0.091 | 21% | 0.212 | C | C | . | . | trans | -79.7 | -163.7 | 176.5 | 171.2 | 0 | 0 | 0 | 0 | 109.4 | V56 D65 M564 | V56-V61 HydrophobicContact CB-CG2 4.48Å; V56-V61 HydrophobicContact CG1-CG1 4.33Å; V56-V61 HydrophobicContact CG1-CG2 4.17Å; V61-D65 HydrophobicContact CG1-CB 3.81Å; V61-M564 WeakPolarHBondContact CA-SD 3.39Å; V61-M564 HydrophobicContact CB-CE 4.16Å; V61-M564 HydrophobicContact CB-SD 3.17Å; V61-M564 WeakPolarHBondContact CB-SD 3.47Å; V61-M564 HydrophobicContact CG1-SD 3.57Å; V61-M564 VanDerWaalsContact CG1-SD 3.57Å; V61-M564 WeakPolarHBondContact O-CE 3.43Å | ||
| 62 | Q | 64.3 | Low | 71.1 | Confident | 49 Ų | 49 | 47.3 Ų | 47.3 | 23% | 0.229 | 21% | 0.214 | C | C | . | . | trans | -110.6 | 145.5 | 158.2 | -39.9 | -95.4 | -16.7 | 0 | 0 | 116.1 | R64 D65 A66 M564 H565 | Q62-R64 HydrophobicContact CB-CG 3.95Å; Q62-R64 PolarHBondContact O-N 3.25Å; Q62-D65 WeakPolarHBondContact CA-OD2 3.49Å; Q62-D65 VanDerWaalsContact CB-OD2 3.3Å; Q62-D65 WeakPolarHBondContact CB-OD2 3.2Å; Q62-D65 PolarHBondContact N-OD2 3.48Å; Q62-D65 WeakPolarHBondContact O-CB 3.3Å; Q62-D65 PolarHBondContact O-N 3.19Å; Q62-A66 PolarHBondContact O-N 3.22Å; Q62-M564 VanDerWaalsContact C-SD 3.51Å; Q62-M564 VanDerWaalsContact CA-CE 3.44Å; Q62-M564 HydrophobicContact CB-CE 4.33Å; Q62-M564 HydrophobicContact CG-CE 4.5Å; Q62-M564 VanDerWaalsContact N-CE 3.26Å; Q62-M564 PolarHBondContact N-SD 2.87Å; Q62-M564 WeakPolarHBondContact O-CG 3.44Å; Q62-H565 PolarHBondContact NE2-CD2 2.85Å; Q62-H565 VanDerWaalsContact NE2-CD2 3.34Å | ||
| 63 | P | 61.1 | Low | 71.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.5 | -37.8 | 170 | -14.3 | 26.2 | 0 | 0 | 0 | 111.1 | D65 A66 L67 F560 M564 L566 L568 | P63-D65 VanDerWaalsContact C-N 3.32Å; P63-A66 PolarHBondContact O-N 2.93Å; P63-L67 PolarHBondContact O-N 3.02Å; P63-F560 HydrophobicContact CB-CB 4.2Å; P63-M564 VanDerWaalsContact CA-CB 3.41Å; P63-M564 HydrophobicContact CB-CB 3.62Å; P63-M564 HydrophobicContact CB-CG 4.27Å; P63-M564 HydrophobicContact CG-CB 3.15Å; P63-M564 HydrophobicContact CG-CG 4.16Å; P63-M564 VanDerWaalsContact N-CG 3.31Å; P63-L566 WeakPolarHBondContact CB-O 3.47Å; P63-L566 HydrophobicContact CG-CB 4.18Å; P63-L566 WeakPolarHBondContact CG-O 3.21Å; P63-L568 HydrophobicContact CB-CG 4.48Å |
| 64 | R | 66.1 | Low | 72.5 | Confident | 58 Ų | 58 | 49.3 Ų | 49.3 | 22% | 0.219 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.6 | -35.4 | 170.1 | 66.1 | -165.6 | 175.2 | -141.6 | -0.6 | 112.8 | Q62 L67 H68 D253 P283 | Q62-R64 HydrophobicContact CB-CG 3.95Å; Q62-R64 PolarHBondContact O-N 3.25Å; R64-L67 PolarHBondContact O-N 3.48Å; R64-H68 WeakPolarHBondContact O-CB 3.45Å; R64-H68 PolarHBondContact O-N 3.25Å; R64-D253 WeakPolarHBondContact CD-OD1 3.3Å; R64-D253 IonicContact NE-OD1 2.75Å; R64-P283 HydrophobicContact CB-CG 3.85Å; R64-P283 HydrophobicContact CG-CG 4.42Å |
| 65 | D | 70.8 | Confident | 73 | Confident | 6 Ų | 6 | 46 Ų | 46 | 3% | 0.032 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.2 | -43.5 | 177.8 | -59.8 | -30.5 | 0 | 0 | 0 | 111 | R55 V61 Q62 P63 H68 L69 | R55-D65 VanDerWaalsContact CD-CG 3.46Å; R55-D65 WeakPolarHBondContact CD-OD1 3.21Å; R55-D65 VanDerWaalsContact CD-OD2 3.24Å; R55-D65 WeakPolarHBondContact CD-OD2 3.47Å; R55-D65 IonicContact CZ-OD1 3.19Å; R55-D65 IonicContact NE-OD1 3.21Å; R55-D65 IonicContact NH1-OD1 3.36Å; R55-D65 PolarHBondContact NH1-OD1 2.94Å; V61-D65 HydrophobicContact CG1-CB 3.81Å; Q62-D65 WeakPolarHBondContact CA-OD2 3.49Å; Q62-D65 VanDerWaalsContact CB-OD2 3.3Å; Q62-D65 WeakPolarHBondContact CB-OD2 3.2Å; Q62-D65 PolarHBondContact N-OD2 3.48Å; Q62-D65 WeakPolarHBondContact O-CB 3.3Å; Q62-D65 PolarHBondContact O-N 3.19Å; P63-D65 VanDerWaalsContact C-N 3.32Å; D65-H68 PolarHBondContact O-N 2.97Å; D65-L69 WeakPolarHBondContact O-CB 3.07Å; D65-L69 WeakPolarHBondContact O-CD1 3.45Å; D65-L69 VanDerWaalsContact O-CG 3.23Å; D65-L69 WeakPolarHBondContact O-CG 3.01Å; D65-L69 PolarHBondContact O-N 3.29Å |
| 66 | A | 70.1 | Confident | 73.9 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60 | -48.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q62 P63 H68 L69 L70 M366 F519 | Q62-A66 PolarHBondContact O-N 3.22Å; P63-A66 PolarHBondContact O-N 2.93Å; A66-H68 VanDerWaalsContact C-N 3.34Å; A66-H68 PolarHBondContact O-N 3.15Å; A66-L69 PolarHBondContact O-N 2.69Å; A66-L70 WeakPolarHBondContact O-CB 3.47Å; A66-L70 PolarHBondContact O-N 3.19Å; A66-M366 HydrophobicContact CB-CG 4.22Å; A66-M366 HydrophobicContact CB-SD 3.87Å; A66-F519 HydrophobicContact CB-CE2 4.12Å |
| 67 | L | 74.4 | Confident | 75.3 | Confident | 22 Ų | 22 | 48.1 Ų | 48.1 | 12% | 0.115 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62 | -41.6 | 175.7 | 177.8 | 61.3 | 0 | 0 | 0 | 111.9 | P63 R64 L70 K71 F239 F560 L568 L573 | P63-L67 PolarHBondContact O-N 3.02Å; R64-L67 PolarHBondContact O-N 3.48Å; L67-L70 PolarHBondContact O-N 2.88Å; L67-K71 HydrophobicContact CD1-CG 3.87Å; L67-K71 VanDerWaalsContact O-CB 3.31Å; L67-K71 WeakPolarHBondContact O-CB 3.49Å; L67-K71 VanDerWaalsContact O-CG 3.27Å; L67-K71 WeakPolarHBondContact O-CG 3.32Å; L67-K71 PolarHBondContact O-N 3.11Å; L67-F239 HydrophobicContact CD1-CZ 4.36Å; L67-F239 HydrophobicContact CD2-CE2 4.2Å; L67-F239 HydrophobicContact CD2-CZ 4.24Å; L67-F239 HydrophobicContact CG-CE2 3.93Å; L67-F239 HydrophobicContact CG-CZ 4.16Å; L67-F560 HydrophobicContact CB-CD2 4.21Å; L67-F560 HydrophobicContact CB-CE2 4.02Å; L67-F560 HydrophobicContact CD1-CE2 4.07Å; L67-L568 HydrophobicContact CB-CD1 4.14Å; L67-L568 HydrophobicContact CD2-CD1 3.47Å; L67-L568 VanDerWaalsContact CD2-CD1 3.47Å; L67-L568 HydrophobicContact CG-CD1 4.42Å; L67-L573 HydrophobicContact CD2-CD1 4.29Å |
| 68 | H | 78.3 | Confident | 76.5 | Confident | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.019 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.2 | -50.1 | 178.5 | -177.9 | -105.8 | 0 | 0 | 0 | 110.8 | R64 D65 A66 L70 K71 Q72 I243 | R64-H68 WeakPolarHBondContact O-CB 3.45Å; R64-H68 PolarHBondContact O-N 3.25Å; D65-H68 PolarHBondContact O-N 2.97Å; A66-H68 VanDerWaalsContact C-N 3.34Å; A66-H68 PolarHBondContact O-N 3.15Å; H68-L70 VanDerWaalsContact C-N 3.34Å; H68-L70 PolarHBondContact O-N 2.64Å; H68-K71 CarbonylContact O-C 3.53Å; H68-K71 VanDerWaalsContact O-C 3.3Å; H68-K71 WeakPolarHBondContact O-CA 3.28Å; H68-K71 PolarHBondContact O-N 2.7Å; H68-Q72 PolarHBondContact CE1-NE2 2.74Å; H68-Q72 PolarHBondContact NE2-NE2 3.34Å; H68-Q72 WeakPolarHBondContact O-CG 3.47Å; H68-Q72 PolarHBondContact O-N 3.48Å; H68-I243 WeakPolarHBondContact CE1-CG2 3.16Å; H68-I243 VanDerWaalsContact NE2-CG2 3.27Å; H68-I243 WeakPolarHBondContact NE2-CG2 3.5Å |
| 69 | L | 78.1 | Confident | 77.9 | Confident | 33 Ų | 33 | 42 Ų | 42 | 17% | 0.173 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.3 | -38.4 | 176.9 | -73.7 | 164.2 | 0 | 0 | 0 | 113.5 | V56 D65 A66 K71 Q72 R74 | V56-L69 HydrophobicContact CG1-CD1 3.2Å; D65-L69 WeakPolarHBondContact O-CB 3.07Å; D65-L69 WeakPolarHBondContact O-CD1 3.45Å; D65-L69 VanDerWaalsContact O-CG 3.23Å; D65-L69 WeakPolarHBondContact O-CG 3.01Å; D65-L69 PolarHBondContact O-N 3.29Å; A66-L69 PolarHBondContact O-N 2.69Å; L69-K71 PolarHBondContact O-N 2.75Å; L69-Q72 PolarHBondContact O-N 3.34Å; L69-R74 PolarHBondContact O-NH2 2.95Å |
| 70 | L | 80.9 | Confident | 79.7 | Confident | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.026 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.7 | -35.8 | 173.2 | -173.4 | 69.8 | 0 | 0 | 0 | 111 | A66 L67 H68 F236 R391 F519 F560 | A66-L70 WeakPolarHBondContact O-CB 3.47Å; A66-L70 PolarHBondContact O-N 3.19Å; L67-L70 PolarHBondContact O-N 2.88Å; H68-L70 VanDerWaalsContact C-N 3.34Å; H68-L70 PolarHBondContact O-N 2.64Å; L70-F236 VanDerWaalsContact O-CZ 3.25Å; L70-F236 WeakPolarHBondContact O-CZ 3.22Å; L70-R391 HydrophobicContact CD1-CB 3.89Å; L70-R391 HydrophobicContact CD1-CG 3.65Å; L70-R391 HydrophobicContact CD2-CG 4.34Å; L70-R391 HydrophobicContact CG-CG 3.93Å; L70-F519 HydrophobicContact CD1-CE1 4.16Å; L70-F519 HydrophobicContact CD1-CZ 4.41Å; L70-F519 HydrophobicContact CD2-CZ 4.28Å; L70-F560 HydrophobicContact CD2-CZ 4.37Å |
| 71 | K | 86.7 | Confident | 81.4 | Confident | 36 Ų | 36 | 29.7 Ų | 29.7 | 16% | 0.157 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 4.4 | -176.7 | -64.6 | -76.6 | 171.7 | -171.7 | 0 | 114.1 | L67 H68 L69 F236 P238 F239 | L67-K71 HydrophobicContact CD1-CG 3.87Å; L67-K71 VanDerWaalsContact O-CB 3.31Å; L67-K71 WeakPolarHBondContact O-CB 3.49Å; L67-K71 VanDerWaalsContact O-CG 3.27Å; L67-K71 WeakPolarHBondContact O-CG 3.32Å; L67-K71 PolarHBondContact O-N 3.11Å; H68-K71 CarbonylContact O-C 3.53Å; H68-K71 VanDerWaalsContact O-C 3.3Å; H68-K71 WeakPolarHBondContact O-CA 3.28Å; H68-K71 PolarHBondContact O-N 2.7Å; L69-K71 PolarHBondContact O-N 2.75Å; K71-F236 HydrophobicContact CD-CE2 3.69Å; K71-F236 HydrophobicContact CD-CZ 4.2Å; K71-P238 CarbonylContact O-C 3.56Å; K71-P238 WeakPolarHBondContact O-CA 3.19Å; K71-P238 VanDerWaalsContact O-CB 3.28Å; K71-P238 WeakPolarHBondContact O-CB 3.41Å; K71-F239 HydrophobicContact CB-CB 4.29Å; K71-F239 HydrophobicContact CB-CD1 3.86Å; K71-F239 HydrophobicContact CB-CD2 3.61Å; K71-F239 HydrophobicContact CB-CE1 4Å; K71-F239 HydrophobicContact CB-CE2 3.8Å; K71-F239 HydrophobicContact CB-CG 3.64Å; K71-F239 HydrophobicContact CB-CZ 3.99Å; K71-F239 HydrophobicContact CD-CE1 4.1Å; K71-F239 HydrophobicContact CD-CZ 4.35Å; K71-F239 HydrophobicContact CG-CD1 4.23Å; K71-F239 HydrophobicContact CG-CD2 4.24Å; K71-F239 HydrophobicContact CG-CE1 3.86Å; K71-F239 HydrophobicContact CG-CE2 3.9Å; K71-F239 HydrophobicContact CG-CG 4.4Å; K71-F239 HydrophobicContact CG-CZ 3.7Å; K71-F239 PolarHBondContact O-N 3.46Å |
| 72 | Q | 86.4 | Confident | 82.8 | Confident | 32 Ų | 32 | 32.9 Ų | 32.9 | 15% | 0.15 | 16% | 0.161 | C | C | . | . | trans | -70.1 | 135.5 | 177.2 | -87.1 | -60.4 | -56.5 | 0 | 0 | 111 | H68 L69 | H68-Q72 PolarHBondContact CE1-NE2 2.74Å; H68-Q72 PolarHBondContact NE2-NE2 3.34Å; H68-Q72 WeakPolarHBondContact O-CG 3.47Å; H68-Q72 PolarHBondContact O-N 3.48Å; L69-Q72 PolarHBondContact O-N 3.34Å | ||
| 73 | P | 90.3 | Very high | 84.2 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | trans | -71.8 | 145.4 | 173.9 | 29.6 | -32.3 | 0 | 0 | 0 | 111.8 | T77 R78 V81 P238 P241 | P73-T77 HydrophobicContact CB-CG2 3.66Å; P73-R78 HydrophobicContact CB-CB 4.44Å; P73-R78 PolarHBondContact O-NE 2.95Å; P73-V81 HydrophobicContact CB-CG2 4.38Å; P73-V81 HydrophobicContact CG-CG2 4.49Å; P73-P238 HydrophobicContact CB-CB 3.94Å; P73-P238 HydrophobicContact CB-CG 4.25Å; P73-P238 HydrophobicContact CG-CB 4.37Å; P73-P241 HydrophobicContact CG-CB 4.39Å; P73-P241 HydrophobicContact CG-CG 3.5Å; P73-P241 VanDerWaalsContact CG-CG 3.5Å | ||
| 74 | R | 87.7 | Confident | 85.7 | Confident | 104 Ų | 104 | 31.3 Ų | 31.3 | 39% | 0.392 | 16% | 0.156 | S | C | . | . | trans | -131.7 | 160.6 | -174.7 | -56 | -178.5 | -173.9 | -179.2 | 2.9 | 110.4 | L69 D76 T77 R78 | L69-R74 PolarHBondContact O-NH2 2.95Å; R74-D76 PolarHBondContact O-N 2.95Å; R74-T77 WeakPolarHBondContact O-CB 3.47Å; R74-T77 PolarHBondContact O-N 3.19Å; R74-T77 VanDerWaalsContact O-N 3.08Å; R74-T77 PolarHBondContact O-OG1 3.21Å; R74-R78 PolarHBondContact O-N 3.26Å | ||
| 75 | G | 89.6 | Confident | 86.9 | Confident | 42 Ų | 42 | 28.7 Ų | 28.7 | 43% | 0.433 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | 51.6 | -134.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T77 R78 | G75-T77 VanDerWaalsContact C-N 3.25Å; G75-T77 PolarHBondContact O-N 3.31Å; G75-R78 WeakPolarHBondContact O-CB 3.34Å; G75-R78 PolarHBondContact O-N 2.79Å |
| 76 | D | 92.4 | Very high | 87.9 | Confident | 58 Ų | 58 | 29.2 Ų | 29.2 | 31% | 0.31 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -62.7 | -29.6 | 179.3 | -173.8 | 54.3 | 0 | 0 | 0 | 113.7 | R74 R78 S79 A80 R129 N163 D326 | R74-D76 PolarHBondContact O-N 2.95Å; D76-R78 VanDerWaalsContact C-N 3.26Å; D76-R78 PolarHBondContact O-N 3.01Å; D76-S79 WeakPolarHBondContact O-CB 3.17Å; D76-S79 PolarHBondContact O-N 3.41Å; D76-S79 VanDerWaalsContact O-N 3.12Å; D76-A80 PolarHBondContact O-N 3.39Å; D76-R129 IonicContact OD1-CZ 3.59Å; D76-R129 VanDerWaalsContact OD1-CZ 3.27Å; D76-R129 IonicContact OD1-NH1 3.71Å; D76-R129 PolarHBondContact OD1-NH1 2.92Å; D76-R129 IonicContact OD1-NH2 3.68Å; D76-R129 PolarHBondContact OD1-NH2 3.3Å; D76-R129 IonicContact OD2-CZ 2.74Å; D76-R129 IonicContact OD2-NH1 3.27Å; D76-R129 PolarHBondContact OD2-NH1 3.46Å; D76-N163 PolarHBondContact OD2-ND2 2.79Å; D76-N163 VanDerWaalsContact OD2-ND2 3.11Å; D76-D326 VanDerWaalsContact CB-OD2 3.24Å; D76-D326 WeakPolarHBondContact CB-OD2 3.3Å; D76-D326 PolarHBondContact N-OD2 3.45Å |
| 77 | T | 94.6 | Very high | 88.8 | Confident | 14 Ų | 14 | 29.2 Ų | 29.2 | 9% | 0.086 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.2 | -41.1 | 175.5 | -48.3 | 0 | 0 | 0 | 0 | 111 | P73 R74 G75 S79 A80 V81 N163 P238 S312 | P73-T77 HydrophobicContact CB-CG2 3.66Å; R74-T77 WeakPolarHBondContact O-CB 3.47Å; R74-T77 PolarHBondContact O-N 3.19Å; R74-T77 VanDerWaalsContact O-N 3.08Å; R74-T77 PolarHBondContact O-OG1 3.21Å; G75-T77 VanDerWaalsContact C-N 3.25Å; G75-T77 PolarHBondContact O-N 3.31Å; T77-S79 VanDerWaalsContact C-N 3.3Å; T77-S79 PolarHBondContact O-N 3.28Å; T77-A80 PolarHBondContact O-N 3.35Å; T77-V81 HydrophobicContact CG2-CG2 4.35Å; T77-V81 WeakPolarHBondContact O-CG2 3.47Å; T77-V81 PolarHBondContact O-N 3.37Å; T77-N163 WeakPolarHBondContact CA-OD1 3.25Å; T77-N163 WeakPolarHBondContact CB-OD1 3.34Å; T77-N163 WeakPolarHBondContact CG2-OD1 3.39Å; T77-N163 PolarHBondContact N-ND2 3.33Å; T77-N163 PolarHBondContact OG1-OD1 3.12Å; T77-P238 HydrophobicContact CG2-CG 3.99Å; T77-S312 VanDerWaalsContact CG2-CB 3.48Å |
| 78 | R | 93.3 | Very high | 89.4 | Confident | 88 Ų | 88 | 29.6 Ų | 29.6 | 33% | 0.332 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62.1 | -42.6 | 178.9 | -176 | -175.3 | -62.6 | 167.1 | 0.7 | 110.8 | P73 R74 G75 D76 R82 | P73-R78 HydrophobicContact CB-CB 4.44Å; P73-R78 PolarHBondContact O-NE 2.95Å; R74-R78 PolarHBondContact O-N 3.26Å; G75-R78 WeakPolarHBondContact O-CB 3.34Å; G75-R78 PolarHBondContact O-N 2.79Å; D76-R78 VanDerWaalsContact C-N 3.26Å; D76-R78 PolarHBondContact O-N 3.01Å; R78-R82 VanDerWaalsContact O-CB 3.25Å; R78-R82 WeakPolarHBondContact O-CB 3.42Å; R78-R82 PolarHBondContact O-N 3.36Å |
| 79 | S | 93.5 | Very high | 89.8 | Confident | 51 Ų | 51 | 30.2 Ų | 30.2 | 36% | 0.357 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -65.8 | -40.7 | 177.2 | -60.2 | 0 | 0 | 0 | 0 | 111.5 | D76 T77 R82 S83 | D76-S79 WeakPolarHBondContact O-CB 3.17Å; D76-S79 PolarHBondContact O-N 3.41Å; D76-S79 VanDerWaalsContact O-N 3.12Å; T77-S79 VanDerWaalsContact C-N 3.3Å; T77-S79 PolarHBondContact O-N 3.28Å; S79-R82 PolarHBondContact O-N 2.73Å; S79-S83 PolarHBondContact O-N 2.85Å; S79-S83 PolarHBondContact O-OG 3.04Å |
| 80 | A | 93.9 | Very high | 90.3 | Very high | 6 Ų | 6 | 28.6 Ų | 28.6 | 5% | 0.05 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.6 | -46 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D76 T77 S83 A84 N163 I310 | D76-A80 PolarHBondContact O-N 3.39Å; T77-A80 PolarHBondContact O-N 3.35Å; A80-S83 PolarHBondContact O-N 3.44Å; A80-A84 PolarHBondContact O-N 3.02Å; A80-N163 HydrophobicContact CB-CB 4.4Å; A80-I310 HydrophobicContact CB-CD1 4.07Å |
| 81 | V | 93.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.8 | -41.7 | 178.8 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | P73 T77 S83 A84 D85 P241 A288 I310 | P73-V81 HydrophobicContact CB-CG2 4.38Å; P73-V81 HydrophobicContact CG-CG2 4.49Å; T77-V81 HydrophobicContact CG2-CG2 4.35Å; T77-V81 WeakPolarHBondContact O-CG2 3.47Å; T77-V81 PolarHBondContact O-N 3.37Å; V81-S83 VanDerWaalsContact C-N 3.35Å; V81-S83 PolarHBondContact O-N 3.32Å; V81-A84 WeakPolarHBondContact O-CB 3.44Å; V81-A84 PolarHBondContact O-N 3.48Å; V81-A84 VanDerWaalsContact O-N 3.12Å; V81-D85 PolarHBondContact O-N 2.87Å; V81-P241 HydrophobicContact CG1-CG 3.9Å; V81-A288 HydrophobicContact CB-CB 4.33Å; V81-A288 HydrophobicContact CG1-CB 3.69Å; V81-A288 HydrophobicContact CG2-CB 3.6Å; V81-I310 HydrophobicContact CG2-CD1 4.4Å; V81-I310 HydrophobicContact CG2-CG2 4.28Å |
| 82 | R | 93.6 | Very high | 90.3 | Very high | 81 Ų | 81 | 29.7 Ų | 29.7 | 31% | 0.306 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -60.5 | -42.9 | 177 | -172.6 | -178 | -73.6 | 176.1 | -9.4 | 112 | V41 D42 Y45 R78 S79 A84 D85 Y86 | V41-R82 HydrophobicContact CG1-CG 4.35Å; D42-R82 IonicContact OD1-NE 2.84Å; Y45-R82 HydrophobicContact CE2-CB 4Å; Y45-R82 HydrophobicContact CE2-CG 4.13Å; R78-R82 VanDerWaalsContact O-CB 3.25Å; R78-R82 WeakPolarHBondContact O-CB 3.42Å; R78-R82 PolarHBondContact O-N 3.36Å; S79-R82 PolarHBondContact O-N 2.73Å; R82-A84 VanDerWaalsContact C-N 3.3Å; R82-A84 PolarHBondContact O-N 3.02Å; R82-D85 PolarHBondContact O-N 3.46Å; R82-Y86 WeakPolarHBondContact CD-OH 3.43Å; R82-Y86 HydrophobicContact CG-CD1 4.35Å; R82-Y86 HydrophobicContact CG-CD2 4.3Å; R82-Y86 HydrophobicContact CG-CE1 3.82Å; R82-Y86 HydrophobicContact CG-CE2 3.78Å; R82-Y86 VanDerWaalsContact O-CG 3.31Å; R82-Y86 PolarHBondContact O-N 2.74Å |
| 83 | S | 93.9 | Very high | 90.3 | Very high | 14 Ų | 14 | 28.5 Ų | 28.5 | 10% | 0.098 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.6 | -41.6 | 173.9 | -71.5 | 0 | 0 | 0 | 0 | 112.4 | S79 A80 V81 M87 T124 C126 | S79-S83 PolarHBondContact O-N 2.85Å; S79-S83 PolarHBondContact O-OG 3.04Å; A80-S83 PolarHBondContact O-N 3.44Å; V81-S83 VanDerWaalsContact C-N 3.35Å; V81-S83 PolarHBondContact O-N 3.32Å; S83-M87 WeakPolarHBondContact O-CB 3.48Å; S83-M87 PolarHBondContact O-N 3.28Å; S83-M87 VanDerWaalsContact O-N 3.09Å; S83-T124 WeakPolarHBondContact CA-O 3.39Å; S83-T124 WeakPolarHBondContact CB-O 3.44Å; S83-T124 PolarHBondContact OG-O 3.48Å; S83-C126 PolarHBondContact O-SG 3.43Å; S83-C126 VanDerWaalsContact O-SG 3.32Å |
| 84 | A | 91.4 | Very high | 90 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 2% | 0.017 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.7 | -40.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A80 V81 R82 M87 A88 P289 | A80-A84 PolarHBondContact O-N 3.02Å; V81-A84 WeakPolarHBondContact O-CB 3.44Å; V81-A84 PolarHBondContact O-N 3.48Å; V81-A84 VanDerWaalsContact O-N 3.12Å; R82-A84 VanDerWaalsContact C-N 3.3Å; R82-A84 PolarHBondContact O-N 3.02Å; A84-M87 PolarHBondContact O-N 3.44Å; A84-A88 WeakPolarHBondContact O-CB 3.15Å; A84-A88 PolarHBondContact O-N 2.92Å; A84-P289 HydrophobicContact CB-CG 4.12Å |
| 85 | D | 90.9 | Very high | 89.5 | Confident | 4 Ų | 4 | 25.7 Ų | 25.7 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.5 | -41.6 | 177.4 | -77.5 | -13.2 | 0 | 0 | 0 | 111.9 | V41 Y45 V81 R82 M87 A88 Q89 | V41-D85 HydrophobicContact CG1-CB 4.09Å; V41-D85 HydrophobicContact CG2-CB 4.16Å; Y45-D85 PolarHBondContact OH-OD2 3.17Å; V81-D85 PolarHBondContact O-N 2.87Å; R82-D85 PolarHBondContact O-N 3.46Å; D85-M87 VanDerWaalsContact C-N 3.31Å; D85-M87 PolarHBondContact O-N 3.03Å; D85-A88 PolarHBondContact O-N 2.82Å; D85-Q89 WeakPolarHBondContact O-CB 3.25Å; D85-Q89 VanDerWaalsContact O-CG 3.32Å; D85-Q89 WeakPolarHBondContact O-CG 3.23Å; D85-Q89 PolarHBondContact O-N 3.38Å |
| 86 | Y | 92.6 | Very high | 89.1 | Confident | 17 Ų | 17 | 27.4 Ų | 27.4 | 7% | 0.067 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56.3 | -46.6 | 172.5 | -69.6 | -22.1 | 0 | 0 | 0 | 111.7 | F34 K38 V41 D42 R82 T90 | F34-Y86 HydrophobicContact CE2-CD2 4.35Å; F34-Y86 HydrophobicContact CE2-CG 4.46Å; K38-Y86 HydrophobicContact CB-CD1 4.42Å; K38-Y86 HydrophobicContact CB-CE1 4.2Å; K38-Y86 HydrophobicContact CG-CE1 3.94Å; K38-Y86 PolarHBondContact NZ-OH 2.93Å; V41-Y86 HydrophobicContact CB-CD1 3.68Å; V41-Y86 HydrophobicContact CB-CE1 3.7Å; V41-Y86 HydrophobicContact CG1-CD1 3.7Å; V41-Y86 HydrophobicContact CG1-CE1 3.6Å; V41-Y86 HydrophobicContact CG2-CD1 4Å; D42-Y86 WeakPolarHBondContact OD1-CE1 3.11Å; D42-Y86 PolarHBondContact OD1-OH 2.77Å; D42-Y86 PolarHBondContact OD2-OH 3.28Å; R82-Y86 WeakPolarHBondContact CD-OH 3.43Å; R82-Y86 HydrophobicContact CG-CD1 4.35Å; R82-Y86 HydrophobicContact CG-CD2 4.3Å; R82-Y86 HydrophobicContact CG-CE1 3.82Å; R82-Y86 HydrophobicContact CG-CE2 3.78Å; R82-Y86 VanDerWaalsContact O-CG 3.31Å; R82-Y86 PolarHBondContact O-N 2.74Å; Y86-T90 WeakPolarHBondContact O-CB 3.32Å; Y86-T90 PolarHBondContact O-N 3.16Å; Y86-T90 PolarHBondContact O-OG1 3.3Å |
| 87 | M | 89.1 | Confident | 88.6 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.3 | -51.8 | 177.8 | 177.3 | 62.3 | 86.1 | 0 | 0 | 111.6 | S83 A84 D85 Q89 T90 L91 L120 A121 T124 C126 S296 N299 F300 | S83-M87 WeakPolarHBondContact O-CB 3.48Å; S83-M87 PolarHBondContact O-N 3.28Å; S83-M87 VanDerWaalsContact O-N 3.09Å; A84-M87 PolarHBondContact O-N 3.44Å; D85-M87 VanDerWaalsContact C-N 3.31Å; D85-M87 PolarHBondContact O-N 3.03Å; M87-Q89 PolarHBondContact O-N 3.11Å; M87-T90 PolarHBondContact O-N 2.9Å; M87-L91 HydrophobicContact CG-CD1 4.25Å; M87-L91 WeakPolarHBondContact O-CG 3.17Å; M87-L91 PolarHBondContact O-N 2.84Å; M87-L91 VanDerWaalsContact O-N 3.11Å; M87-L91 HydrophobicContact SD-CD1 4.04Å; M87-L91 HydrophobicContact SD-CG 4.4Å; M87-L120 HydrophobicContact CE-CG 4.04Å; M87-L120 HydrophobicContact SD-CD1 4.34Å; M87-L120 HydrophobicContact SD-CD2 3.89Å; M87-L120 HydrophobicContact SD-CG 3.67Å; M87-A121 HydrophobicContact CE-CB 4.19Å; M87-T124 HydrophobicContact CB-CG2 4.13Å; M87-T124 HydrophobicContact CE-CG2 4.3Å; M87-T124 WeakPolarHBondContact CE-OG1 3.49Å; M87-T124 HydrophobicContact SD-CG2 4.32Å; M87-C126 HydrophobicContact CE-CB 4.05Å; M87-S296 VanDerWaalsContact CG-CB 3.49Å; M87-N299 HydrophobicContact CE-CB 4.48Å; M87-N299 PolarHBondContact SD-ND2 3.12Å; M87-F300 HydrophobicContact CE-CZ 4.33Å |
| 88 | A | 85.8 | Confident | 87.6 | Confident | 30 Ų | 30 | 26.2 Ų | 26.2 | 25% | 0.248 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.9 | -43.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A84 D85 L91 R92 | A84-A88 WeakPolarHBondContact O-CB 3.15Å; A84-A88 PolarHBondContact O-N 2.92Å; D85-A88 PolarHBondContact O-N 2.82Å; A88-L91 PolarHBondContact O-N 3.47Å; A88-R92 PolarHBondContact O-N 3.22Å |
| 89 | Q | 87.9 | Confident | 86.5 | Confident | 16 Ų | 16 | 25.5 Ų | 25.5 | 8% | 0.075 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -70.2 | -36.3 | 178.9 | -67.4 | -50.6 | -45.7 | 0 | 0 | 112.6 | A37 V41 D85 M87 L91 R92 L93 F246 | A37-Q89 HydrophobicContact CB-CB 3.75Å; V41-Q89 HydrophobicContact CG2-CB 4.17Å; V41-Q89 HydrophobicContact CG2-CG 3.64Å; D85-Q89 WeakPolarHBondContact O-CB 3.25Å; D85-Q89 VanDerWaalsContact O-CG 3.32Å; D85-Q89 WeakPolarHBondContact O-CG 3.23Å; D85-Q89 PolarHBondContact O-N 3.38Å; M87-Q89 PolarHBondContact O-N 3.11Å; Q89-L91 VanDerWaalsContact C-N 3.35Å; Q89-L91 PolarHBondContact O-N 3.39Å; Q89-R92 PolarHBondContact O-N 3.36Å; Q89-L93 WeakPolarHBondContact O-CG 3.1Å; Q89-L93 PolarHBondContact O-N 3.14Å; Q89-F246 HydrophobicContact CG-CB 4.29Å; Q89-F246 HydrophobicContact CG-CG 4.42Å |
| 90 | T | 89.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.9 | -47.3 | 175.2 | -56.4 | 0 | 0 | 0 | 0 | 110.4 | C33 F34 A37 Y86 M87 R92 L93 V94 L120 | C33-T90 HydrophobicContact CB-CG2 4.06Å; F34-T90 HydrophobicContact CB-CG2 4.13Å; A37-T90 WeakPolarHBondContact CB-OG1 3.34Å; Y86-T90 WeakPolarHBondContact O-CB 3.32Å; Y86-T90 PolarHBondContact O-N 3.16Å; Y86-T90 PolarHBondContact O-OG1 3.3Å; M87-T90 PolarHBondContact O-N 2.9Å; T90-R92 VanDerWaalsContact C-N 3.35Å; T90-R92 PolarHBondContact O-N 2.99Å; T90-L93 PolarHBondContact O-N 3.05Å; T90-V94 WeakPolarHBondContact O-CG2 3.35Å; T90-V94 PolarHBondContact O-N 2.96Å; T90-L120 HydrophobicContact CG2-CD1 3.56Å; T90-L120 HydrophobicContact CG2-CD2 4.26Å |
| 91 | L | 83.3 | Confident | 83.7 | Confident | 5 Ų | 5 | 37.6 Ų | 37.6 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.6 | -36 | 178.9 | -69.4 | 169.3 | 0 | 0 | 0 | 112.9 | M87 A88 Q89 V94 Q95 T109 L112 L120 S296 N299 | M87-L91 HydrophobicContact CG-CD1 4.25Å; M87-L91 WeakPolarHBondContact O-CG 3.17Å; M87-L91 PolarHBondContact O-N 2.84Å; M87-L91 VanDerWaalsContact O-N 3.11Å; M87-L91 HydrophobicContact SD-CD1 4.04Å; M87-L91 HydrophobicContact SD-CG 4.4Å; A88-L91 PolarHBondContact O-N 3.47Å; Q89-L91 VanDerWaalsContact C-N 3.35Å; Q89-L91 PolarHBondContact O-N 3.39Å; L91-V94 PolarHBondContact O-N 3.16Å; L91-Q95 WeakPolarHBondContact O-CB 3.37Å; L91-Q95 PolarHBondContact O-N 3Å; L91-T109 HydrophobicContact CD2-CG2 4.11Å; L91-L112 HydrophobicContact CD2-CD1 4.2Å; L91-L120 HydrophobicContact CD2-CD2 3.79Å; L91-L120 HydrophobicContact CG-CD2 4.18Å; L91-S296 VanDerWaalsContact CD1-CA 3.48Å; L91-N299 WeakPolarHBondContact CD1-OD1 3.34Å; L91-N299 WeakPolarHBondContact CD2-OD1 3.4Å |
| 92 | R | 83.6 | Confident | 82.1 | Confident | 59 Ų | 59 | 40.4 Ų | 40.4 | 22% | 0.223 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.2 | -48.2 | 171.2 | -176.6 | -175 | 64.9 | 83.7 | -0.6 | 111.3 | A88 Q89 T90 V94 Q95 E96 | A88-R92 PolarHBondContact O-N 3.22Å; Q89-R92 PolarHBondContact O-N 3.36Å; T90-R92 VanDerWaalsContact C-N 3.35Å; T90-R92 PolarHBondContact O-N 2.99Å; R92-V94 VanDerWaalsContact C-N 3.34Å; R92-V94 PolarHBondContact O-N 3.48Å; R92-Q95 WeakPolarHBondContact O-CB 3.45Å; R92-Q95 PolarHBondContact O-N 2.82Å; R92-E96 WeakPolarHBondContact CG-OE1 3.41Å; R92-E96 IonicContact CZ-OE1 3.72Å; R92-E96 IonicContact NH1-OE1 3.84Å; R92-E96 PolarHBondContact NH1-OE1 2.78Å; R92-E96 IonicContact NH1-OE2 3.47Å; R92-E96 PolarHBondContact NH1-OE2 2.97Å; R92-E96 WeakPolarHBondContact O-CG 3.27Å; R92-E96 PolarHBondContact O-N 2.7Å |
| 93 | L | 86.4 | Confident | 80.4 | Confident | 6 Ų | 6 | 46.8 Ų | 46.8 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.4 | -37.2 | 179.6 | -69.8 | 177.2 | 0 | 0 | 0 | 112.2 | C33 E36 A37 I40 Q89 T90 E96 K97 | C33-L93 HydrophobicContact CB-CB 4.32Å; C33-L93 WeakPolarHBondContact O-CD1 3.48Å; E36-L93 HydrophobicContact CB-CD1 3.82Å; E36-L93 HydrophobicContact CG-CD1 3.75Å; A37-L93 HydrophobicContact CB-CD1 3.94Å; I40-L93 HydrophobicContact CD1-CD1 4.25Å; I40-L93 HydrophobicContact CD1-CD2 4.48Å; Q89-L93 WeakPolarHBondContact O-CG 3.1Å; Q89-L93 PolarHBondContact O-N 3.14Å; T90-L93 PolarHBondContact O-N 3.05Å; L93-E96 PolarHBondContact O-N 2.58Å; L93-K97 WeakPolarHBondContact O-CB 3.49Å; L93-K97 VanDerWaalsContact O-CG 3.28Å; L93-K97 WeakPolarHBondContact O-CG 3.42Å; L93-K97 PolarHBondContact O-N 3.38Å |
| 94 | V | 83 | Confident | 78.6 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.8 | -51.7 | 171.5 | 171.1 | 0 | 0 | 0 | 0 | 109.6 | L25 F29 L30 C33 T90 L91 R92 E96 K97 V98 A108 L112 | L25-V94 HydrophobicContact CD1-CG1 4.15Å; F29-V94 HydrophobicContact CE1-CB 4.41Å; F29-V94 HydrophobicContact CE1-CG1 4.15Å; F29-V94 HydrophobicContact CE1-CG2 4.01Å; L30-V94 HydrophobicContact CD2-CG2 3.84Å; C33-V94 HydrophobicContact CB-CG2 4.03Å; T90-V94 WeakPolarHBondContact O-CG2 3.35Å; T90-V94 PolarHBondContact O-N 2.96Å; L91-V94 PolarHBondContact O-N 3.16Å; R92-V94 VanDerWaalsContact C-N 3.34Å; R92-V94 PolarHBondContact O-N 3.48Å; V94-E96 PolarHBondContact O-N 2.95Å; V94-K97 PolarHBondContact O-N 3.44Å; V94-V98 HydrophobicContact CG1-CG2 4.17Å; V94-V98 VanDerWaalsContact O-CB 3.27Å; V94-V98 WeakPolarHBondContact O-CB 3.18Å; V94-V98 WeakPolarHBondContact O-CG2 3.09Å; V94-V98 PolarHBondContact O-N 3.49Å; V94-A108 HydrophobicContact CB-CB 4.39Å; V94-A108 HydrophobicContact CG1-CB 3.99Å; V94-L112 HydrophobicContact CG1-CD2 4.47Å |
| 95 | Q | 78.4 | Confident | 76.8 | Confident | 47 Ų | 47 | 60.6 Ų | 60.6 | 22% | 0.22 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -54.6 | -49.5 | 178.6 | -173.2 | 64.7 | 3.3 | 0 | 0 | 112.3 | L91 R92 V98 H99 L106 A108 | L91-Q95 WeakPolarHBondContact O-CB 3.37Å; L91-Q95 PolarHBondContact O-N 3Å; R92-Q95 WeakPolarHBondContact O-CB 3.45Å; R92-Q95 PolarHBondContact O-N 2.82Å; Q95-V98 PolarHBondContact O-N 3.02Å; Q95-H99 PolarHBondContact NE2-CE1 3.44Å; Q95-H99 PolarHBondContact NE2-ND1 3.24Å; Q95-H99 WeakPolarHBondContact O-CB 3.48Å; Q95-H99 PolarHBondContact O-N 3.41Å; Q95-H99 PolarHBondContact O-ND1 2.92Å; Q95-L106 PolarHBondContact NE2-O 3.05Å; Q95-L106 PolarHBondContact OE1-O 3.01Å; Q95-A108 HydrophobicContact CB-CB 3.97Å; Q95-A108 VanDerWaalsContact OE1-CB 3.23Å |
| 96 | E | 79.4 | Confident | 75.3 | Confident | 77 Ų | 77 | 62.8 Ų | 62.8 | 36% | 0.36 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.2 | -43.5 | -177.3 | -75.7 | 174.5 | -173.9 | 0 | 0 | 112.1 | R92 L93 V94 R100 | R92-E96 WeakPolarHBondContact CG-OE1 3.41Å; R92-E96 IonicContact CZ-OE1 3.72Å; R92-E96 IonicContact NH1-OE1 3.84Å; R92-E96 PolarHBondContact NH1-OE1 2.78Å; R92-E96 IonicContact NH1-OE2 3.47Å; R92-E96 PolarHBondContact NH1-OE2 2.97Å; R92-E96 WeakPolarHBondContact O-CG 3.27Å; R92-E96 PolarHBondContact O-N 2.7Å; L93-E96 PolarHBondContact O-N 2.58Å; V94-E96 PolarHBondContact O-N 2.95Å; E96-R100 WeakPolarHBondContact O-CG 3.4Å; E96-R100 PolarHBondContact O-N 2.8Å |
| 97 | K | 82.6 | Confident | 73.7 | Confident | 44 Ų | 44 | 65.6 Ų | 65.6 | 19% | 0.191 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70.4 | -39.1 | 179.4 | -71.5 | 173.6 | -175.6 | 174.8 | 0 | 111.4 | F29 E36 L93 V94 R100 V101 | F29-K97 HydrophobicContact CE2-CB 4.07Å; F29-K97 HydrophobicContact CE2-CD 4.01Å; F29-K97 HydrophobicContact CZ-CB 3.89Å; F29-K97 HydrophobicContact CZ-CD 4.18Å; E36-K97 WeakPolarHBondContact OE2-CE 3.29Å; E36-K97 IonicContact OE2-NZ 3.5Å; E36-K97 PolarHBondContact OE2-NZ 2.69Å; L93-K97 WeakPolarHBondContact O-CB 3.49Å; L93-K97 VanDerWaalsContact O-CG 3.28Å; L93-K97 WeakPolarHBondContact O-CG 3.42Å; L93-K97 PolarHBondContact O-N 3.38Å; V94-K97 PolarHBondContact O-N 3.44Å; K97-R100 PolarHBondContact O-N 3.16Å; K97-V101 WeakPolarHBondContact O-CG2 3.44Å; K97-V101 PolarHBondContact O-N 3.41Å |
| 98 | V | 74.1 | Confident | 72.2 | Confident | 3 Ų | 3 | 66.2 Ų | 66.2 | 2% | 0.018 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 174.2 | 163.4 | 0 | 0 | 0 | 0 | 111.5 | L25 V94 Q95 R100 V101 H102 L106 L111 | L25-V98 HydrophobicContact CD1-CG2 3.49Å; L25-V98 VanDerWaalsContact CD1-CG2 3.49Å; L25-V98 HydrophobicContact CD2-CG2 4.35Å; L25-V98 HydrophobicContact CG-CG2 4.5Å; V94-V98 HydrophobicContact CG1-CG2 4.17Å; V94-V98 VanDerWaalsContact O-CB 3.27Å; V94-V98 WeakPolarHBondContact O-CB 3.18Å; V94-V98 WeakPolarHBondContact O-CG2 3.09Å; V94-V98 PolarHBondContact O-N 3.49Å; Q95-V98 PolarHBondContact O-N 3.02Å; V98-R100 PolarHBondContact O-N 3.15Å; V98-V101 PolarHBondContact O-N 3.26Å; V98-H102 PolarHBondContact O-N 3.37Å; V98-L106 HydrophobicContact CG1-CB 4.49Å; V98-L111 HydrophobicContact CB-CD1 4.08Å; V98-L111 HydrophobicContact CG1-CD1 3.23Å; V98-L111 HydrophobicContact CG2-CD1 3.64Å |
| 99 | H | 70.1 | Confident | 70.9 | Confident | 73 Ų | 73 | 65.5 Ų | 65.5 | 34% | 0.338 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.2 | -31.7 | 178.4 | -93.3 | 51.9 | 0 | 0 | 0 | 113.1 | Q95 V101 H102 L106 | Q95-H99 PolarHBondContact NE2-CE1 3.44Å; Q95-H99 PolarHBondContact NE2-ND1 3.24Å; Q95-H99 WeakPolarHBondContact O-CB 3.48Å; Q95-H99 PolarHBondContact O-N 3.41Å; Q95-H99 PolarHBondContact O-ND1 2.92Å; H99-V101 VanDerWaalsContact C-N 3.31Å; H99-H102 CarbonylContact O-C 3.35Å; H99-H102 VanDerWaalsContact O-O 3.07Å; H99-L106 PolarHBondContact CE1-O 3.4Å |
| 100 | R | 65.5 | Low | 69.8 | Low | 209 Ų | 209 | 69.5 Ų | 69.5 | 79% | 0.789 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -68.2 | -32 | 174.6 | -72.8 | 176.4 | -175.4 | -175.8 | 4 | 112.3 | E96 K97 V98 | E96-R100 WeakPolarHBondContact O-CG 3.4Å; E96-R100 PolarHBondContact O-N 2.8Å; K97-R100 PolarHBondContact O-N 3.16Å; V98-R100 PolarHBondContact O-N 3.15Å |
| 101 | V | 63.2 | Low | 68.7 | Low | 103 Ų | 103 | 70.7 Ų | 70.7 | 62% | 0.624 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -86.9 | -46.9 | -178.3 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | K97 V98 H99 | K97-V101 WeakPolarHBondContact O-CG2 3.44Å; K97-V101 PolarHBondContact O-N 3.41Å; V98-V101 PolarHBondContact O-N 3.26Å; H99-V101 VanDerWaalsContact C-N 3.31Å |
| 102 | H | 60 | Low | 68.2 | Low | 59 Ų | 59 | 71.2 Ų | 71.2 | 27% | 0.273 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -106 | 110.3 | 178.1 | -57.7 | -71.9 | 0 | 0 | 0 | 109.2 | V98 H99 R104 L106 | V98-H102 PolarHBondContact O-N 3.37Å; H99-H102 CarbonylContact O-C 3.35Å; H99-H102 VanDerWaalsContact O-O 3.07Å; H102-R104 PolarHBondContact O-N 2.81Å; H102-L106 HydrophobicContact CB-CD1 4.09Å |
| 103 | K | 57.2 | Low | 67.9 | Low | 214 Ų | 214 | 70.2 Ų | 70.2 | 93% | 0.93 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -65.4 | 14.3 | 177.6 | -62.7 | -175.3 | 178.6 | -179.8 | 0 | 114.6 | ||
| 104 | R | 56.8 | Low | 67.4 | Low | 201 Ų | 201 | 76.4 Ų | 76.4 | 76% | 0.758 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -111.4 | 144.9 | 177.6 | -67.7 | -176.1 | 178.6 | 179.5 | 0.1 | 109.1 | H102 L106 | H102-R104 PolarHBondContact O-N 2.81Å; R104-L106 PolarHBondContact O-N 3.09Å |
| 105 | S | 53.9 | Low | 67.3 | Low | 105 Ų | 105 | 84 Ų | 84 | 73% | 0.734 | 40% | 0.403 | S | S | * | . | trans | -71.1 | 90.6 | 174 | 177.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 106 | L | 58.2 | Low | 67.4 | Low | 50 Ų | 50 | 82.4 Ų | 82.4 | 26% | 0.262 | 40% | 0.396 | S | S | . | . | trans | -95.8 | 145.3 | 168.6 | -65.3 | 167.1 | 0 | 0 | 0 | 109.6 | Q95 V98 H99 H102 R104 L111 | Q95-L106 PolarHBondContact NE2-O 3.05Å; Q95-L106 PolarHBondContact OE1-O 3.01Å; V98-L106 HydrophobicContact CG1-CB 4.49Å; H99-L106 PolarHBondContact CE1-O 3.4Å; H102-L106 HydrophobicContact CB-CD1 4.09Å; R104-L106 PolarHBondContact O-N 3.09Å; L106-L111 HydrophobicContact CD1-CD1 4.12Å; L106-L111 HydrophobicContact CD1-CD2 4.18Å; L106-L111 HydrophobicContact CD1-CG 4.38Å | ||
| 107 | N | 60.1 | Low | 67.5 | Low | 77 Ų | 77 | 79.6 Ų | 79.6 | 41% | 0.412 | 38% | 0.383 | S | S | . | . | trans | -72 | 147.2 | 166.8 | -73.3 | -45.1 | 0 | 0 | 0 | 109.4 | T109 D110 | N107-T109 PolarHBondContact O-N 2.03Å; N107-D110 WeakPolarHBondContact CB-OD2 3.41Å; N107-D110 PolarHBondContact N-OD2 3.14Å; N107-D110 WeakPolarHBondContact O-CB 3.47Å; N107-D110 PolarHBondContact O-N 3.3Å | ||
| 108 | A | 57.1 | Low | 67.5 | Low | 12 Ų | 12 | 85.1 Ų | 85.1 | 10% | 0.099 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -33.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V94 Q95 L112 | V94-A108 HydrophobicContact CB-CB 4.39Å; V94-A108 HydrophobicContact CG1-CB 3.99Å; Q95-A108 HydrophobicContact CB-CB 3.97Å; Q95-A108 VanDerWaalsContact OE1-CB 3.23Å; A108-L112 WeakPolarHBondContact O-CG 3.33Å |
| 109 | T | 59.8 | Low | 68.1 | Low | 15 Ų | 15 | 87.2 Ų | 87.2 | 9% | 0.092 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -18.1 | -177.7 | 49.2 | 0 | 0 | 0 | 0 | 114.4 | L91 N107 L111 L112 L117 F298 N299 | L91-T109 HydrophobicContact CD2-CG2 4.11Å; N107-T109 PolarHBondContact O-N 2.03Å; T109-L111 PolarHBondContact O-N 3.14Å; T109-L111 VanDerWaalsContact O-N 3.1Å; T109-L112 HydrophobicContact CG2-CD1 4.41Å; T109-L112 PolarHBondContact O-N 3.24Å; T109-L117 HydrophobicContact CG2-CD2 4.07Å; T109-F298 HydrophobicContact CG2-CB 3.22Å; T109-F298 HydrophobicContact CG2-CG 4.23Å; T109-F298 WeakPolarHBondContact OG1-CB 3.47Å; T109-F298 WeakPolarHBondContact OG1-CG 3.5Å; T109-N299 WeakPolarHBondContact CG2-OD1 3.13Å |
| 110 | D | 64.4 | Low | 68.8 | Low | 100 Ų | 100 | 83.8 Ų | 83.8 | 54% | 0.535 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -18.6 | 177.2 | -61 | -18.4 | 0 | 0 | 0 | 111.2 | N107 | N107-D110 WeakPolarHBondContact CB-OD2 3.41Å; N107-D110 PolarHBondContact N-OD2 3.14Å; N107-D110 WeakPolarHBondContact O-CB 3.47Å; N107-D110 PolarHBondContact O-N 3.3Å |
| 111 | L | 65.2 | Low | 69.9 | Low | 26 Ų | 26 | 74 Ų | 74 | 14% | 0.136 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 1.2 | 178.4 | -61.6 | -179.8 | 0 | 0 | 0 | 114 | L25 V98 L106 T109 | L25-L111 HydrophobicContact CD1-CB 3.57Å; L25-L111 HydrophobicContact CD1-CD1 4.09Å; L25-L111 HydrophobicContact CG-CB 4.15Å; V98-L111 HydrophobicContact CB-CD1 4.08Å; V98-L111 HydrophobicContact CG1-CD1 3.23Å; V98-L111 HydrophobicContact CG2-CD1 3.64Å; L106-L111 HydrophobicContact CD1-CD1 4.12Å; L106-L111 HydrophobicContact CD1-CD2 4.18Å; L106-L111 HydrophobicContact CD1-CG 4.38Å; T109-L111 PolarHBondContact O-N 3.14Å; T109-L111 VanDerWaalsContact O-N 3.1Å |
| 112 | L | 73.7 | Confident | 71.2 | Confident | 15 Ų | 15 | 75.6 Ų | 75.6 | 8% | 0.079 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -105.1 | 135.8 | 179.9 | -56.6 | -175.4 | 0 | 0 | 0 | 110.4 | L25 L30 L91 V94 A108 T109 D116 L117 | L25-L112 HydrophobicContact CB-CD2 4.15Å; L25-L112 HydrophobicContact CD1-CD2 3.99Å; L30-L112 HydrophobicContact CD1-CD2 4.03Å; L30-L112 HydrophobicContact CD2-CD1 4Å; L30-L112 HydrophobicContact CD2-CD2 3.65Å; L30-L112 HydrophobicContact CD2-CG 4.49Å; L30-L112 HydrophobicContact CG-CD2 4.13Å; L91-L112 HydrophobicContact CD2-CD1 4.2Å; V94-L112 HydrophobicContact CG1-CD2 4.47Å; A108-L112 WeakPolarHBondContact O-CG 3.33Å; T109-L112 HydrophobicContact CG2-CD1 4.41Å; T109-L112 PolarHBondContact O-N 3.24Å; L112-D116 HydrophobicContact CB-CB 4.11Å; L112-L117 HydrophobicContact CB-CD2 3.74Å; L112-L117 HydrophobicContact CB-CG 4.16Å; L112-L117 HydrophobicContact CD1-CD2 3.66Å; L112-L117 HydrophobicContact CG-CD2 4.33Å |
| 113 | T | 75.8 | Confident | 72.8 | Confident | 39 Ų | 39 | 74.3 Ų | 74.3 | 24% | 0.239 | 35% | 0.35 | C | S | . | . | trans | -76.6 | 162.3 | 173.7 | 68.6 | 0 | 0 | 0 | 0 | 111.3 | Q115 D116 L117 | T113-Q115 PolarHBondContact O-N 3.43Å; T113-Q115 VanDerWaalsContact O-N 3.12Å; T113-Q115 PolarHBondContact OG1-N 2.9Å; T113-D116 WeakPolarHBondContact CB-OD2 3.25Å; T113-D116 WeakPolarHBondContact CG2-OD2 3.45Å; T113-D116 PolarHBondContact N-OD2 3.42Å; T113-D116 WeakPolarHBondContact O-CB 3.38Å; T113-D116 PolarHBondContact O-N 3.13Å; T113-D116 PolarHBondContact OG1-N 3.05Å; T113-D116 PolarHBondContact OG1-OD2 3.28Å; T113-L117 WeakPolarHBondContact O-CG 3.28Å; T113-L117 PolarHBondContact O-N 3.45Å | ||
| 114 | E | 77.3 | Confident | 74.4 | Confident | 136 Ų | 136 | 64.3 Ų | 64.3 | 64% | 0.636 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -56.3 | -29.8 | 171.8 | -70.2 | -170.2 | 177.8 | 0 | 0 | 113.4 | R118 | E114-R118 WeakPolarHBondContact O-CG 3.49Å; E114-R118 PolarHBondContact O-N 3.43Å; E114-R118 VanDerWaalsContact O-N 3.13Å; E114-R118 PolarHBondContact O-NE 3.1Å; E114-R118 IonicContact OE2-CZ 2.98Å; E114-R118 IonicContact OE2-NH2 3.38Å; E114-R118 PolarHBondContact OE2-NH2 3.25Å |
| 115 | Q | 80.8 | Confident | 76.1 | Confident | 158 Ų | 158 | 55.8 Ų | 55.8 | 74% | 0.738 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -70.2 | -41.8 | 176.8 | -174.8 | 175.5 | -2.6 | 0 | 0 | 110.9 | T113 L117 R118 E119 | T113-Q115 PolarHBondContact O-N 3.43Å; T113-Q115 VanDerWaalsContact O-N 3.12Å; T113-Q115 PolarHBondContact OG1-N 2.9Å; Q115-L117 VanDerWaalsContact C-N 3.33Å; Q115-L117 PolarHBondContact O-N 3.37Å; Q115-R118 PolarHBondContact O-N 3.06Å; Q115-E119 WeakPolarHBondContact O-CB 3.4Å; Q115-E119 PolarHBondContact O-N 3.41Å |
| 116 | D | 81.1 | Confident | 77.9 | Confident | 15 Ų | 15 | 50.8 Ų | 50.8 | 8% | 0.08 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.3 | -41.7 | 174.9 | -69.3 | -40.9 | 0 | 0 | 0 | 112.1 | L30 L112 T113 E119 L120 | L30-D116 HydrophobicContact CD1-CB 3.35Å; L30-D116 WeakPolarHBondContact CD1-OD1 3.46Å; L112-D116 HydrophobicContact CB-CB 4.11Å; T113-D116 WeakPolarHBondContact CB-OD2 3.25Å; T113-D116 WeakPolarHBondContact CG2-OD2 3.45Å; T113-D116 PolarHBondContact N-OD2 3.42Å; T113-D116 WeakPolarHBondContact O-CB 3.38Å; T113-D116 PolarHBondContact O-N 3.13Å; T113-D116 PolarHBondContact OG1-N 3.05Å; T113-D116 PolarHBondContact OG1-OD2 3.28Å; D116-E119 PolarHBondContact O-N 2.95Å; D116-L120 VanDerWaalsContact O-CB 3.26Å; D116-L120 WeakPolarHBondContact O-CB 3.48Å; D116-L120 PolarHBondContact O-N 2.9Å |
| 117 | L | 79.9 | Confident | 79.4 | Confident | 17 Ų | 17 | 52.3 Ų | 52.3 | 9% | 0.089 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67 | -41 | 178.6 | -64.2 | 180 | 0 | 0 | 0 | 112.4 | T109 L112 T113 Q115 L120 A121 F298 N299 | T109-L117 HydrophobicContact CG2-CD2 4.07Å; L112-L117 HydrophobicContact CB-CD2 3.74Å; L112-L117 HydrophobicContact CB-CG 4.16Å; L112-L117 HydrophobicContact CD1-CD2 3.66Å; L112-L117 HydrophobicContact CG-CD2 4.33Å; T113-L117 WeakPolarHBondContact O-CG 3.28Å; T113-L117 PolarHBondContact O-N 3.45Å; Q115-L117 VanDerWaalsContact C-N 3.33Å; Q115-L117 PolarHBondContact O-N 3.37Å; L117-L120 PolarHBondContact O-N 3.04Å; L117-A121 PolarHBondContact O-N 3.07Å; L117-F298 WeakPolarHBondContact CD1-O 3.42Å; L117-N299 HydrophobicContact CB-CB 4.46Å; L117-N299 WeakPolarHBondContact CB-O 3.5Å; L117-N299 HydrophobicContact CD2-CB 4.15Å; L117-N299 WeakPolarHBondContact CD2-OD1 3.47Å |
| 118 | R | 82.7 | Confident | 80.8 | Confident | 161 Ų | 161 | 51.9 Ų | 51.9 | 61% | 0.608 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -63.8 | -45.4 | 173.5 | -75.1 | 180 | -124.6 | -135.8 | 1 | 111.5 | E114 Q115 L120 A121 R122 | E114-R118 WeakPolarHBondContact O-CG 3.49Å; E114-R118 PolarHBondContact O-N 3.43Å; E114-R118 VanDerWaalsContact O-N 3.13Å; E114-R118 PolarHBondContact O-NE 3.1Å; E114-R118 IonicContact OE2-CZ 2.98Å; E114-R118 IonicContact OE2-NH2 3.38Å; E114-R118 PolarHBondContact OE2-NH2 3.25Å; Q115-R118 PolarHBondContact O-N 3.06Å; R118-L120 VanDerWaalsContact C-N 3.32Å; R118-L120 PolarHBondContact O-N 3.36Å; R118-A121 WeakPolarHBondContact O-CB 3.49Å; R118-A121 PolarHBondContact O-N 2.89Å; R118-R122 PolarHBondContact O-N 2.8Å |
| 119 | E | 87 | Confident | 82.4 | Confident | 47 Ų | 47 | 54.1 Ų | 54.1 | 22% | 0.22 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 177.9 | -179.2 | 60.9 | -178.6 | 0 | 0 | 111.2 | H31 Q115 D116 A121 R122 I123 | H31-E119 IonicContact CE1-OE1 3.95Å; H31-E119 IonicContact NE2-OE1 2.7Å; Q115-E119 WeakPolarHBondContact O-CB 3.4Å; Q115-E119 PolarHBondContact O-N 3.41Å; D116-E119 PolarHBondContact O-N 2.95Å; E119-A121 VanDerWaalsContact C-N 3.33Å; E119-A121 PolarHBondContact O-N 3.37Å; E119-R122 WeakPolarHBondContact O-CB 3.27Å; E119-R122 PolarHBondContact O-N 2.86Å; E119-R122 VanDerWaalsContact O-N 3.11Å; E119-R122 IonicContact OE1-CZ 3.1Å; E119-R122 IonicContact OE1-NE 2.78Å; E119-R122 IonicContact OE1-NH2 3.96Å; E119-R122 PolarHBondContact OE1-NH2 2.88Å; E119-R122 IonicContact OE2-CZ 2.67Å; E119-R122 IonicContact OE2-NE 3.32Å; E119-R122 PolarHBondContact OE2-NE 2.61Å; E119-R122 IonicContact OE2-NH2 2.66Å; E119-R122 PolarHBondContact OE2-NH2 3.02Å; E119-I123 HydrophobicContact CG-CG2 4.37Å; E119-I123 WeakPolarHBondContact O-CG1 3.37Å; E119-I123 WeakPolarHBondContact O-CG2 3.11Å; E119-I123 PolarHBondContact O-N 2.8Å; E119-I123 WeakPolarHBondContact OE1-CG2 3.23Å |
| 120 | L | 86.4 | Confident | 83.6 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.8 | -40.2 | 175.7 | -177.5 | 53.9 | 0 | 0 | 0 | 112 | M87 T90 L91 D116 L117 R118 R122 I123 T124 N299 | M87-L120 HydrophobicContact CE-CG 4.04Å; M87-L120 HydrophobicContact SD-CD1 4.34Å; M87-L120 HydrophobicContact SD-CD2 3.89Å; M87-L120 HydrophobicContact SD-CG 3.67Å; T90-L120 HydrophobicContact CG2-CD1 3.56Å; T90-L120 HydrophobicContact CG2-CD2 4.26Å; L91-L120 HydrophobicContact CD2-CD2 3.79Å; L91-L120 HydrophobicContact CG-CD2 4.18Å; D116-L120 VanDerWaalsContact O-CB 3.26Å; D116-L120 WeakPolarHBondContact O-CB 3.48Å; D116-L120 PolarHBondContact O-N 2.9Å; L117-L120 PolarHBondContact O-N 3.04Å; R118-L120 VanDerWaalsContact C-N 3.32Å; R118-L120 PolarHBondContact O-N 3.36Å; L120-R122 VanDerWaalsContact C-N 3.3Å; L120-R122 PolarHBondContact O-N 3.15Å; L120-I123 HydrophobicContact CD1-CD1 4.13Å; L120-I123 HydrophobicContact CD1-CG1 4.25Å; L120-T124 HydrophobicContact CD1-CG2 3.71Å; L120-T124 HydrophobicContact CG-CG2 4.43Å; L120-T124 WeakPolarHBondContact O-CB 3Å; L120-T124 WeakPolarHBondContact O-CG2 3.5Å; L120-T124 PolarHBondContact O-N 3.44Å; L120-T124 VanDerWaalsContact O-N 3.16Å; L120-T124 PolarHBondContact O-OG1 3.28Å; L120-N299 WeakPolarHBondContact CD2-ND2 3.44Å |
| 121 | A | 88.3 | Confident | 84.7 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 3% | 0.025 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.2 | -36.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | M87 L117 R118 E119 T124 G125 C126 E127 F300 | M87-A121 HydrophobicContact CE-CB 4.19Å; L117-A121 PolarHBondContact O-N 3.07Å; R118-A121 WeakPolarHBondContact O-CB 3.49Å; R118-A121 PolarHBondContact O-N 2.89Å; E119-A121 VanDerWaalsContact C-N 3.33Å; E119-A121 PolarHBondContact O-N 3.37Å; A121-T124 PolarHBondContact O-OG1 3.39Å; A121-G125 PolarHBondContact O-N 2.82Å; A121-C126 PolarHBondContact O-N 3.31Å; A121-E127 HydrophobicContact CB-CB 4.25Å; A121-E127 PolarHBondContact O-N 3.14Å; A121-F300 HydrophobicContact CB-CE1 3.47Å; A121-F300 VanDerWaalsContact CB-CE1 3.47Å; A121-F300 HydrophobicContact CB-CZ 3.61Å |
| 122 | R | 90.8 | Very high | 85.9 | Confident | 136 Ų | 136 | 63.2 Ų | 63.2 | 51% | 0.513 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -68.9 | -54.7 | 177.4 | -167.8 | -172 | 70.4 | 80.2 | 1.5 | 111.6 | R118 E119 L120 T124 G125 E127 | R118-R122 PolarHBondContact O-N 2.8Å; E119-R122 WeakPolarHBondContact O-CB 3.27Å; E119-R122 PolarHBondContact O-N 2.86Å; E119-R122 VanDerWaalsContact O-N 3.11Å; E119-R122 IonicContact OE1-CZ 3.1Å; E119-R122 IonicContact OE1-NE 2.78Å; E119-R122 IonicContact OE1-NH2 3.96Å; E119-R122 PolarHBondContact OE1-NH2 2.88Å; E119-R122 IonicContact OE2-CZ 2.67Å; E119-R122 IonicContact OE2-NE 3.32Å; E119-R122 PolarHBondContact OE2-NE 2.61Å; E119-R122 IonicContact OE2-NH2 2.66Å; E119-R122 PolarHBondContact OE2-NH2 3.02Å; L120-R122 VanDerWaalsContact C-N 3.3Å; L120-R122 PolarHBondContact O-N 3.15Å; R122-T124 VanDerWaalsContact C-N 3.33Å; R122-T124 PolarHBondContact O-N 3.37Å; R122-G125 PolarHBondContact O-N 3.38Å; R122-G125 VanDerWaalsContact O-N 3.07Å; R122-E127 WeakPolarHBondContact CB-OE2 3.23Å |
| 123 | I | 91.8 | Very high | 86.7 | Confident | 32 Ų | 32 | 64.2 Ų | 64.2 | 16% | 0.164 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.8 | -29.6 | -174.9 | 68.3 | -174.9 | 0 | 0 | 0 | 113.1 | F34 E119 L120 G125 | F34-I123 HydrophobicContact CB-CD1 3.79Å; F34-I123 HydrophobicContact CD1-CB 4.48Å; F34-I123 HydrophobicContact CD1-CD1 3.96Å; F34-I123 HydrophobicContact CD1-CG1 4.24Å; F34-I123 HydrophobicContact CD2-CD1 4.19Å; F34-I123 HydrophobicContact CD2-CG1 4.05Å; F34-I123 HydrophobicContact CE1-CB 4.35Å; F34-I123 HydrophobicContact CE1-CG1 4.48Å; F34-I123 HydrophobicContact CE2-CG1 4.31Å; F34-I123 HydrophobicContact CG-CD1 3.69Å; F34-I123 HydrophobicContact CG-CG1 4Å; F34-I123 HydrophobicContact CZ-CB 4.45Å; F34-I123 WeakPolarHBondContact CZ-O 3.05Å; E119-I123 HydrophobicContact CG-CG2 4.37Å; E119-I123 WeakPolarHBondContact O-CG1 3.37Å; E119-I123 WeakPolarHBondContact O-CG2 3.11Å; E119-I123 PolarHBondContact O-N 2.8Å; E119-I123 WeakPolarHBondContact OE1-CG2 3.23Å; L120-I123 HydrophobicContact CD1-CD1 4.13Å; L120-I123 HydrophobicContact CD1-CG1 4.25Å; I123-G125 VanDerWaalsContact C-N 3.29Å |
| 124 | T | 92.3 | Very high | 87.4 | Confident | 4 Ų | 4 | 67.3 Ų | 67.3 | 3% | 0.025 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -15 | 174.8 | 56.2 | 0 | 0 | 0 | 0 | 113.2 | F34 S83 M87 L120 A121 R122 C126 | F34-T124 HydrophobicContact CD2-CG2 3.86Å; F34-T124 HydrophobicContact CE2-CG2 3.89Å; S83-T124 WeakPolarHBondContact CA-O 3.39Å; S83-T124 WeakPolarHBondContact CB-O 3.44Å; S83-T124 PolarHBondContact OG-O 3.48Å; M87-T124 HydrophobicContact CB-CG2 4.13Å; M87-T124 HydrophobicContact CE-CG2 4.3Å; M87-T124 WeakPolarHBondContact CE-OG1 3.49Å; M87-T124 HydrophobicContact SD-CG2 4.32Å; L120-T124 HydrophobicContact CD1-CG2 3.71Å; L120-T124 HydrophobicContact CG-CG2 4.43Å; L120-T124 WeakPolarHBondContact O-CB 3Å; L120-T124 WeakPolarHBondContact O-CG2 3.5Å; L120-T124 PolarHBondContact O-N 3.44Å; L120-T124 VanDerWaalsContact O-N 3.16Å; L120-T124 PolarHBondContact O-OG1 3.28Å; A121-T124 PolarHBondContact O-OG1 3.39Å; R122-T124 VanDerWaalsContact C-N 3.33Å; R122-T124 PolarHBondContact O-N 3.37Å; T124-C126 VanDerWaalsContact C-N 3.28Å; T124-C126 PolarHBondContact OG1-N 3.08Å |
| 125 | G | 92.9 | Very high | 88.2 | Confident | 23 Ų | 23 | 61.8 Ų | 61.8 | 24% | 0.237 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 3.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | A121 R122 I123 E127 A128 | A121-G125 PolarHBondContact O-N 2.82Å; R122-G125 PolarHBondContact O-N 3.38Å; R122-G125 VanDerWaalsContact O-N 3.07Å; I123-G125 VanDerWaalsContact C-N 3.29Å; G125-E127 VanDerWaalsContact C-N 3.32Å; G125-E127 PolarHBondContact O-N 2.96Å; G125-A128 PolarHBondContact O-N 3.44Å |
| 126 | C | 90.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.7 | -30.9 | 178.1 | -82.2 | 0 | 0 | 0 | 0 | 113.4 | S83 M87 A121 T124 A128 R129 I130 C291 F300 | S83-C126 PolarHBondContact O-SG 3.43Å; S83-C126 VanDerWaalsContact O-SG 3.32Å; M87-C126 HydrophobicContact CE-CB 4.05Å; A121-C126 PolarHBondContact O-N 3.31Å; T124-C126 VanDerWaalsContact C-N 3.28Å; T124-C126 PolarHBondContact OG1-N 3.08Å; C126-A128 VanDerWaalsContact C-N 3.32Å; C126-A128 PolarHBondContact O-N 3.38Å; C126-R129 WeakPolarHBondContact O-CB 3.46Å; C126-R129 PolarHBondContact O-N 3.01Å; C126-I130 PolarHBondContact O-N 3.34Å; C126-C291 WeakPolarHBondContact CA-SG 3.44Å; C126-C291 HydrophobicContact CB-CB 3.58Å; C126-C291 WeakPolarHBondContact CB-SG 3.46Å; C126-C291 WeakPolarHBondContact SG-CB 3.38Å; C126-C291 CovalentContact SG-SG 2.05Å; C126-C291 PolarHBondContact SG-SG 3.27Å; C126-F300 HydrophobicContact CB-CZ 4.33Å |
| 127 | E | 89.8 | Confident | 88.8 | Confident | 81 Ų | 81 | 71.7 Ų | 71.7 | 38% | 0.379 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -56.6 | -46.1 | 176.5 | -174.6 | -177.3 | 179 | 0 | 0 | 111.6 | A121 R122 G125 R129 I130 R131 | A121-E127 HydrophobicContact CB-CB 4.25Å; A121-E127 PolarHBondContact O-N 3.14Å; R122-E127 WeakPolarHBondContact CB-OE2 3.23Å; G125-E127 VanDerWaalsContact C-N 3.32Å; G125-E127 PolarHBondContact O-N 2.96Å; E127-R129 PolarHBondContact O-N 2.97Å; E127-I130 WeakPolarHBondContact O-CG1 3.39Å; E127-I130 PolarHBondContact O-N 2.95Å; E127-R131 VanDerWaalsContact O-CB 3.29Å; E127-R131 WeakPolarHBondContact O-CB 3.48Å; E127-R131 PolarHBondContact O-N 3.27Å |
| 128 | A | 89.1 | Confident | 89.3 | Confident | 68 Ų | 68 | 72.9 Ų | 72.9 | 56% | 0.562 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -62.7 | -27.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | G125 C126 R158 | G125-A128 PolarHBondContact O-N 3.44Å; C126-A128 VanDerWaalsContact C-N 3.32Å; C126-A128 PolarHBondContact O-N 3.38Å; A128-R158 PolarHBondContact O-NH2 3.15Å |
| 129 | R | 90 | Very high | 89.6 | Confident | 59 Ų | 59 | 70.4 Ų | 70.4 | 22% | 0.223 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -77.4 | -32.2 | 179.8 | -58.1 | -60.4 | 172.3 | -177.9 | -5.9 | 113.1 | D76 C126 E127 R158 | D76-R129 IonicContact OD1-CZ 3.59Å; D76-R129 VanDerWaalsContact OD1-CZ 3.27Å; D76-R129 IonicContact OD1-NH1 3.71Å; D76-R129 PolarHBondContact OD1-NH1 2.92Å; D76-R129 IonicContact OD1-NH2 3.68Å; D76-R129 PolarHBondContact OD1-NH2 3.3Å; D76-R129 IonicContact OD2-CZ 2.74Å; D76-R129 IonicContact OD2-NH1 3.27Å; D76-R129 PolarHBondContact OD2-NH1 3.46Å; C126-R129 WeakPolarHBondContact O-CB 3.46Å; C126-R129 PolarHBondContact O-N 3.01Å; E127-R129 PolarHBondContact O-N 2.97Å; R129-R158 PolarHBondContact O-NE 3.23Å; R129-R158 PolarHBondContact O-NH1 2.95Å; R129-R158 PolarHBondContact O-NH2 3.48Å |
| 130 | I | 85.8 | Confident | 89.8 | Confident | 76 Ų | 76 | 73.1 Ų | 73.1 | 39% | 0.39 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -97.7 | -22.9 | -177.5 | 65.9 | 171.8 | 0 | 0 | 0 | 113.2 | C126 E127 N132 C291 F300 | C126-I130 PolarHBondContact O-N 3.34Å; E127-I130 WeakPolarHBondContact O-CG1 3.39Å; E127-I130 PolarHBondContact O-N 2.95Å; I130-N132 PolarHBondContact O-N 2.97Å; I130-C291 HydrophobicContact CG2-CB 4.45Å; I130-F300 HydrophobicContact CD1-CD1 3.46Å; I130-F300 VanDerWaalsContact CD1-CD1 3.46Å; I130-F300 HydrophobicContact CD1-CE1 3.18Å; I130-F300 HydrophobicContact CD1-CE2 4.43Å; I130-F300 HydrophobicContact CD1-CG 4.21Å; I130-F300 HydrophobicContact CD1-CZ 3.72Å; I130-F300 HydrophobicContact CG1-CE1 4.47Å |
| 131 | R | 87.1 | Confident | 90.1 | Very high | 173 Ų | 173 | 74.1 Ų | 74.1 | 65% | 0.653 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -65.5 | 131.6 | -178.7 | -174.9 | 174.4 | 177.8 | -179.7 | -1.1 | 111 | E127 P133 R158 | E127-R131 VanDerWaalsContact O-CB 3.29Å; E127-R131 WeakPolarHBondContact O-CB 3.48Å; E127-R131 PolarHBondContact O-N 3.27Å; R131-P133 WeakPolarHBondContact O-CD 3.25Å; R131-R158 PolarHBondContact O-NE 2.82Å; R131-R158 PolarHBondContact O-NH2 2.82Å |
| 132 | N | 89.6 | Confident | 90.3 | Very high | 83 Ų | 83 | 79.5 Ų | 79.5 | 44% | 0.444 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 121.2 | 175.1 | -79.7 | -27.5 | 0 | 0 | 0 | 110.6 | I130 P157 | I130-N132 PolarHBondContact O-N 2.97Å; N132-P157 HydrophobicContact CB-CG 4.48Å |
| 133 | P | 90.5 | Very high | 90.4 | Very high | 37 Ų | 37 | 76.4 Ų | 76.4 | 24% | 0.24 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 149 | 176.5 | 29.7 | -35.1 | 0 | 0 | 0 | 111.6 | R131 V150 P157 | R131-P133 WeakPolarHBondContact O-CD 3.25Å; P133-V150 HydrophobicContact CB-CG1 4.37Å; P133-V150 HydrophobicContact CG-CG1 3.4Å; P133-P157 HydrophobicContact CG-CB 4.09Å; P133-P157 WeakPolarHBondContact O-CG 3.38Å |
| 134 | P | 91.1 | Very high | 90.7 | Very high | 104 Ų | 104 | 75.8 Ų | 75.8 | 68% | 0.675 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -74.1 | 136.9 | 174.9 | 30.5 | -33.6 | 0 | 0 | 0 | 111.6 | ||
| 135 | C | 93.9 | Very high | 90.9 | Very high | 19 Ų | 19 | 77.3 Ų | 77.3 | 13% | 0.128 | 40% | 0.399 | C | S | . | . | trans | -94.5 | -9.1 | 179.7 | -56.6 | 0 | 0 | 0 | 0 | 114.8 | N137 T138 C151 L154 | C135-N137 VanDerWaalsContact C-N 3.27Å; C135-N137 PolarHBondContact O-N 3.49Å; C135-T138 PolarHBondContact O-N 2.94Å; C135-T138 PolarHBondContact O-OG1 2.8Å; C135-C151 WeakPolarHBondContact CA-SG 3.31Å; C135-C151 HydrophobicContact CB-CB 3.71Å; C135-C151 WeakPolarHBondContact CB-SG 3.06Å; C135-C151 WeakPolarHBondContact SG-CB 3.24Å; C135-C151 CovalentContact SG-SG 2.03Å; C135-C151 PolarHBondContact SG-SG 3.42Å; C135-L154 HydrophobicContact CB-CD2 4.17Å | ||
| 136 | R | 88.9 | Confident | 91.2 | Very high | 237 Ų | 237 | 77.3 Ų | 77.3 | 89% | 0.894 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -31.7 | -171 | -67.9 | -177.1 | -178.5 | 178.8 | 0.2 | 113.5 | ||
| 137 | N | 86.9 | Confident | 91.5 | Very high | 145 Ų | 145 | 77.8 Ų | 77.8 | 78% | 0.775 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 5.1 | -175 | -59.3 | -8.4 | 0 | 0 | 0 | 112.3 | C135 P139 | C135-N137 VanDerWaalsContact C-N 3.27Å; C135-N137 PolarHBondContact O-N 3.49Å; N137-P139 VanDerWaalsContact O-CD 3.25Å; N137-P139 WeakPolarHBondContact O-CD 3.34Å |
| 138 | T | 88.9 | Confident | 91.8 | Very high | 41 Ų | 41 | 75.2 Ų | 75.2 | 25% | 0.252 | 39% | 0.386 | S | S | . | . | trans | -78.3 | 114.4 | -179.7 | -52 | 0 | 0 | 0 | 0 | 109.6 | C135 I141 T146 | C135-T138 PolarHBondContact O-N 2.94Å; C135-T138 PolarHBondContact O-OG1 2.8Å; T138-I141 HydrophobicContact CG2-CB 4.11Å; T138-I141 HydrophobicContact CG2-CD1 3.83Å; T138-I141 HydrophobicContact CG2-CG1 4.25Å; T138-I141 WeakPolarHBondContact O-CB 2.99Å; T138-T146 HydrophobicContact CG2-CG2 3.73Å | ||
| 139 | P | 89.8 | Confident | 92.2 | Very high | 110 Ų | 110 | 72 Ų | 72 | 71% | 0.714 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 140.7 | -177.2 | -21.9 | 34.2 | 0 | 0 | 0 | 111.3 | N137 I141 | N137-P139 VanDerWaalsContact O-CD 3.25Å; N137-P139 WeakPolarHBondContact O-CD 3.34Å; P139-I141 PolarHBondContact O-N 3.27Å |
| 140 | N | 91.5 | Very high | 92.5 | Very high | 104 Ų | 104 | 70.4 Ų | 70.4 | 56% | 0.556 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 26 | 174 | -63.9 | -41.6 | 0 | 0 | 0 | 114.9 | N142 K143 Y144 | N140-N142 PolarHBondContact O-N 3.3Å; N140-K143 HydrophobicContact CB-CB 4.35Å; N140-K143 WeakPolarHBondContact O-CA 3.43Å; N140-K143 PolarHBondContact O-N 3.46Å; N140-Y144 HydrophobicContact CB-CD2 3.77Å; N140-Y144 HydrophobicContact CB-CE2 4.24Å; N140-Y144 PolarHBondContact O-N 3.26Å |
| 141 | I | 93.3 | Very high | 93 | Very high | 21 Ų | 21 | 66.8 Ų | 66.8 | 11% | 0.108 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -21.6 | -174.9 | -169.1 | 52.5 | 0 | 0 | 0 | 114 | T138 P139 T146 C151 L154 R664 | T138-I141 HydrophobicContact CG2-CB 4.11Å; T138-I141 HydrophobicContact CG2-CD1 3.83Å; T138-I141 HydrophobicContact CG2-CG1 4.25Å; T138-I141 WeakPolarHBondContact O-CB 2.99Å; P139-I141 PolarHBondContact O-N 3.27Å; I141-T146 HydrophobicContact CD1-CG2 4.09Å; I141-C151 HydrophobicContact CD1-CB 3.74Å; I141-C151 HydrophobicContact CG1-CB 4.12Å; I141-L154 HydrophobicContact CG1-CD2 4.49Å; I141-R664 VanDerWaalsContact O-CZ 3.29Å; I141-R664 PolarHBondContact O-NH1 2.61Å; I141-R664 PolarHBondContact O-NH2 3.15Å |
| 142 | N | 90.4 | Very high | 93.5 | Very high | 117 Ų | 117 | 58.8 Ų | 58.8 | 63% | 0.626 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -15.2 | 174.6 | -70.1 | -37.9 | 0 | 0 | 0 | 113.8 | N140 R664 | N140-N142 PolarHBondContact O-N 3.3Å; N142-R664 PolarHBondContact OD1-NH1 2.89Å |
| 143 | K | 94.4 | Very high | 93.9 | Very high | 71 Ų | 71 | 54.8 Ų | 54.8 | 31% | 0.309 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -40.7 | -177.4 | -165.3 | 176.9 | 178.2 | -171.8 | 0 | 112.3 | N140 E431 K434 | N140-K143 HydrophobicContact CB-CB 4.35Å; N140-K143 WeakPolarHBondContact O-CA 3.43Å; N140-K143 PolarHBondContact O-N 3.46Å; K143-E431 WeakPolarHBondContact CE-OE1 3.42Å; K143-E431 IonicContact NZ-OE1 3.72Å; K143-E431 PolarHBondContact NZ-OE1 2.86Å; K143-K434 PolarHBondContact O-NZ 2.65Å |
| 144 | Y | 97.4 | Very high | 94.1 | Very high | 19 Ų | 19 | 56.9 Ų | 56.9 | 8% | 0.075 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -128.3 | 155.1 | -174.2 | -51.7 | -52.8 | 0 | 0 | 0 | 112.8 | N140 Q430 E431 K434 | N140-Y144 HydrophobicContact CB-CD2 3.77Å; N140-Y144 HydrophobicContact CB-CE2 4.24Å; N140-Y144 PolarHBondContact O-N 3.26Å; Y144-Q430 HydrophobicContact CD1-CB 3.67Å; Y144-Q430 HydrophobicContact CD2-CB 3.8Å; Y144-Q430 HydrophobicContact CD2-CG 3.94Å; Y144-Q430 HydrophobicContact CE1-CB 3.62Å; Y144-Q430 HydrophobicContact CE2-CB 3.74Å; Y144-Q430 HydrophobicContact CE2-CG 4.15Å; Y144-Q430 HydrophobicContact CG-CB 3.76Å; Y144-Q430 HydrophobicContact CG-CG 4.14Å; Y144-E431 HydrophobicContact CE1-CG 4.22Å; Y144-E431 WeakPolarHBondContact CE1-OE1 2.85Å; Y144-E431 PolarHBondContact OH-OE1 3.25Å; Y144-K434 HydrophobicContact CD1-CD 4.19Å; Y144-K434 HydrophobicContact CE1-CD 4.27Å |
| 145 | R | 97.6 | Very high | 94.3 | Very high | 35 Ų | 35 | 57.1 Ų | 57.1 | 13% | 0.132 | 29% | 0.291 | C | S | . | . | trans | -78.3 | 141.7 | 172.1 | -63.9 | 173.1 | -172.7 | -80.5 | -8.6 | 109.4 | N152 R433 D663 L665 | R145-N152 PolarHBondContact NH1-ND2 3.41Å; R145-R433 PolarHBondContact O-NH1 2.78Å; R145-D663 IonicContact CZ-OD1 2.74Å; R145-D663 IonicContact CZ-OD2 3.46Å; R145-D663 IonicContact NH1-OD1 3.7Å; R145-D663 PolarHBondContact NH1-OD1 2.88Å; R145-D663 IonicContact NH1-OD2 2.84Å; R145-D663 PolarHBondContact NH1-OD2 3.01Å; R145-D663 VanDerWaalsContact NH2-CG 3.28Å; R145-D663 IonicContact NH2-OD1 3.65Å; R145-D663 PolarHBondContact NH2-OD1 2.96Å; R145-D663 VanDerWaalsContact NH2-OD1 3.1Å; R145-D663 IonicContact NH2-OD2 3.53Å; R145-D663 PolarHBondContact NH2-OD2 2.82Å; R145-L665 HydrophobicContact CB-CD1 4.22Å; R145-L665 HydrophobicContact CG-CB 4.24Å; R145-L665 HydrophobicContact CG-CD1 3.47Å; R145-L665 VanDerWaalsContact CG-CD1 3.47Å; R145-L665 HydrophobicContact CG-CG 4.49Å; R145-L665 PolarHBondContact NH2-O 3.24Å | ||
| 146 | T | 97.3 | Very high | 94.4 | Very high | 24 Ų | 24 | 60 Ų | 60 | 15% | 0.147 | 31% | 0.305 | C | S | . | . | trans | -63.5 | 160.4 | 159.4 | 54.5 | 0 | 0 | 0 | 0 | 109.5 | T138 I141 T148 S149 V150 R433 | T138-T146 HydrophobicContact CG2-CG2 3.73Å; I141-T146 HydrophobicContact CD1-CG2 4.09Å; T146-T148 VanDerWaalsContact C-N 3.32Å; T146-S149 PolarHBondContact O-N 2.87Å; T146-S149 WeakPolarHBondContact OG1-CA 3.44Å; T146-S149 PolarHBondContact OG1-N 3.11Å; T146-S149 VanDerWaalsContact OG1-N 3.14Å; T146-V150 WeakPolarHBondContact CG2-O 3.42Å; T146-V150 PolarHBondContact OG1-N 3.07Å; T146-V150 VanDerWaalsContact OG1-N 3.13Å; T146-V150 PolarHBondContact OG1-O 3.22Å; T146-R433 PolarHBondContact O-NH2 2.7Å | ||
| 147 | I | 97.8 | Very high | 94.7 | Very high | 9 Ų | 9 | 49.1 Ų | 49.1 | 5% | 0.046 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -68.8 | -37.6 | 177.7 | -65.7 | -65.8 | 0 | 0 | 0 | 110.5 | S149 T314 E327 A330 | I147-S149 VanDerWaalsContact C-N 3.26Å; I147-S149 PolarHBondContact O-N 3.38Å; I147-T314 WeakPolarHBondContact O-CG2 3.4Å; I147-E327 HydrophobicContact CB-CG 4.47Å; I147-E327 WeakPolarHBondContact CB-OE1 3.42Å; I147-E327 WeakPolarHBondContact CB-OE2 3.43Å; I147-E327 VanDerWaalsContact CG1-OE2 3.24Å; I147-E327 WeakPolarHBondContact CG1-OE2 3.36Å; I147-E327 PolarHBondContact N-OE1 3.4Å; I147-A330 HydrophobicContact CB-CB 4.28Å; I147-A330 HydrophobicContact CD1-CB 3.54Å; I147-A330 HydrophobicContact CG1-CB 3.64Å; I147-A330 HydrophobicContact CG2-CB 3.69Å |
| 148 | T | 97.1 | Very high | 95.1 | Very high | 27 Ų | 27 | 44.9 Ų | 44.9 | 17% | 0.166 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -82.1 | -3 | 179.7 | 57.7 | 0 | 0 | 0 | 0 | 113.6 | T146 V150 A161 S162 E327 | T146-T148 VanDerWaalsContact C-N 3.32Å; T148-V150 PolarHBondContact O-N 3.48Å; T148-V150 WeakPolarHBondContact OG1-CG2 3.45Å; T148-A161 CarbonylContact O-C 3.6Å; T148-A161 WeakPolarHBondContact O-CA 3.29Å; T148-A161 WeakPolarHBondContact O-CB 3.36Å; T148-S162 PolarHBondContact O-N 2.86Å; T148-E327 HydrophobicContact CG2-CG 4.23Å |
| 149 | S | 97.2 | Very high | 95.5 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.007 | 24% | 0.237 | C | C | . | . | trans | 57.3 | 11.9 | -171.6 | -87 | 0 | 0 | 0 | 0 | 115.7 | T146 I147 N152 F316 D318 | T146-S149 PolarHBondContact O-N 2.87Å; T146-S149 WeakPolarHBondContact OG1-CA 3.44Å; T146-S149 PolarHBondContact OG1-N 3.11Å; T146-S149 VanDerWaalsContact OG1-N 3.14Å; I147-S149 VanDerWaalsContact C-N 3.26Å; I147-S149 PolarHBondContact O-N 3.38Å; S149-N152 WeakPolarHBondContact O-CB 3.14Å; S149-N152 PolarHBondContact O-N 3.45Å; S149-F316 WeakPolarHBondContact OG-CD2 3.24Å; S149-D318 PolarHBondContact OG-OD2 3.2Å | ||
| 150 | V | 96.3 | Very high | 95.8 | Very high | 25 Ų | 25 | 39.8 Ų | 39.8 | 15% | 0.152 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 140 | 164.6 | 168.8 | 0 | 0 | 0 | 0 | 109.5 | P133 T146 T148 N152 P157 A161 | P133-V150 HydrophobicContact CB-CG1 4.37Å; P133-V150 HydrophobicContact CG-CG1 3.4Å; T146-V150 WeakPolarHBondContact CG2-O 3.42Å; T146-V150 PolarHBondContact OG1-N 3.07Å; T146-V150 VanDerWaalsContact OG1-N 3.13Å; T146-V150 PolarHBondContact OG1-O 3.22Å; T148-V150 PolarHBondContact O-N 3.48Å; T148-V150 WeakPolarHBondContact OG1-CG2 3.45Å; V150-N152 VanDerWaalsContact C-N 3.28Å; V150-N152 PolarHBondContact O-N 3.39Å; V150-P157 CarbonylContact C-O 3.57Å; V150-P157 WeakPolarHBondContact CA-O 3.13Å; V150-A161 HydrophobicContact CG2-CB 3.75Å |
| 151 | C | 96.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 18.7 | -177.6 | -63.1 | 0 | 0 | 0 | 0 | 115.1 | C135 I141 L154 P157 R664 | C135-C151 WeakPolarHBondContact CA-SG 3.31Å; C135-C151 HydrophobicContact CB-CB 3.71Å; C135-C151 WeakPolarHBondContact CB-SG 3.06Å; C135-C151 WeakPolarHBondContact SG-CB 3.24Å; C135-C151 CovalentContact SG-SG 2.03Å; C135-C151 PolarHBondContact SG-SG 3.42Å; I141-C151 HydrophobicContact CD1-CB 3.74Å; I141-C151 HydrophobicContact CG1-CB 4.12Å; C151-L154 WeakPolarHBondContact O-CD2 3.47Å; C151-P157 PolarHBondContact N-O 3.01Å; C151-R664 PolarHBondContact O-NH2 2.87Å |
| 152 | N | 97.7 | Very high | 96.3 | Very high | 5 Ų | 5 | 34.1 Ų | 34.1 | 3% | 0.027 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -60.6 | -54.4 | 162 | -170.5 | -61.7 | 0 | 0 | 0 | 109.7 | R145 S149 V150 F316 G662 D663 R664 | R145-N152 PolarHBondContact NH1-ND2 3.41Å; S149-N152 WeakPolarHBondContact O-CB 3.14Å; S149-N152 PolarHBondContact O-N 3.45Å; V150-N152 VanDerWaalsContact C-N 3.28Å; V150-N152 PolarHBondContact O-N 3.39Å; N152-F316 HydrophobicContact CB-CE2 3.67Å; N152-F316 HydrophobicContact CB-CZ 3.62Å; N152-G662 PolarHBondContact OD1-O 2.66Å; N152-D663 PolarHBondContact ND2-OD1 3.37Å; N152-R664 VanDerWaalsContact O-CB 3.31Å; N152-R664 WeakPolarHBondContact O-CB 3.21Å; N152-R664 WeakPolarHBondContact O-CD 3.49Å; N152-R664 PolarHBondContact O-NE 2.9Å; N152-R664 PolarHBondContact OD1-N 3.03Å |
| 153 | N | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -87.2 | 117.9 | 168.4 | -169.9 | -50 | 0 | 0 | 0 | 110 | N155 N156 P157 L159 P470 | N153-N155 PolarHBondContact OD1-N 2.84Å; N153-N156 WeakPolarHBondContact CB-O 3.47Å; N153-N156 CarbonylContact O-C 3.59Å; N153-N156 VanDerWaalsContact O-C 3.32Å; N153-N156 PolarHBondContact OD1-N 3.03Å; N153-P157 WeakPolarHBondContact O-CA 3.31Å; N153-L159 HydrophobicContact CB-CB 4.15Å; N153-P470 PolarHBondContact ND2-O 3.14Å |
| 154 | L | 95.4 | Very high | 96.6 | Very high | 80 Ų | 80 | 26.7 Ų | 26.7 | 42% | 0.419 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -76.4 | -22.5 | -175.9 | -60.7 | 178.5 | 0 | 0 | 0 | 113.5 | C135 I141 C151 | C135-L154 HydrophobicContact CB-CD2 4.17Å; I141-L154 HydrophobicContact CG1-CD2 4.49Å; C151-L154 WeakPolarHBondContact O-CD2 3.47Å |
| 155 | N | 94.4 | Very high | 96.5 | Very high | 110 Ų | 110 | 28.6 Ų | 28.6 | 59% | 0.588 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -83.6 | -37.3 | 178.2 | -63.8 | -20.7 | 0 | 0 | 0 | 111.2 | N153 | N153-N155 PolarHBondContact OD1-N 2.84Š|
| 156 | N | 95.6 | Very high | 96.5 | Very high | 78 Ų | 78 | 27.2 Ų | 27.2 | 42% | 0.417 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -127.9 | 82.5 | 178.4 | -63.4 | -63.7 | 0 | 0 | 0 | 109.6 | N153 R158 L159 | N153-N156 WeakPolarHBondContact CB-O 3.47Å; N153-N156 CarbonylContact O-C 3.59Å; N153-N156 VanDerWaalsContact O-C 3.32Å; N153-N156 PolarHBondContact OD1-N 3.03Å; N156-R158 PolarHBondContact O-N 3.36Å; N156-L159 HydrophobicContact CB-CB 4.47Å; N156-L159 HydrophobicContact CB-CD1 3.6Å; N156-L159 HydrophobicContact CB-CG 3.65Å; N156-L159 PolarHBondContact O-N 2.82Å |
| 157 | P | 96.2 | Very high | 96.4 | Very high | 10 Ų | 10 | 27.4 Ų | 27.4 | 7% | 0.065 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -20 | -167.3 | -31 | 38.9 | 0 | 0 | 0 | 116.7 | N132 P133 V150 C151 N153 | N132-P157 HydrophobicContact CB-CG 4.48Å; P133-P157 HydrophobicContact CG-CB 4.09Å; P133-P157 WeakPolarHBondContact O-CG 3.38Å; V150-P157 CarbonylContact C-O 3.57Å; V150-P157 WeakPolarHBondContact CA-O 3.13Å; C151-P157 PolarHBondContact N-O 3.01Å; N153-P157 WeakPolarHBondContact O-CA 3.31Å |
| 158 | R | 95.3 | Very high | 96.4 | Very high | 55 Ų | 55 | 29.5 Ų | 29.5 | 21% | 0.208 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -8.3 | 179.2 | -68.6 | -171.8 | 173.1 | -82.8 | 1.3 | 114.6 | A128 R129 R131 N156 G160 A161 T164 | A128-R158 PolarHBondContact O-NH2 3.15Å; R129-R158 PolarHBondContact O-NE 3.23Å; R129-R158 PolarHBondContact O-NH1 2.95Å; R129-R158 PolarHBondContact O-NH2 3.48Å; R131-R158 PolarHBondContact O-NE 2.82Å; R131-R158 PolarHBondContact O-NH2 2.82Å; N156-R158 PolarHBondContact O-N 3.36Å; R158-G160 PolarHBondContact O-N 3.19Å; R158-G160 VanDerWaalsContact O-N 3.12Å; R158-A161 WeakPolarHBondContact O-CB 3.49Å; R158-A161 PolarHBondContact O-N 3.37Å; R158-T164 HydrophobicContact CB-CG2 4.22Å |
| 159 | L | 96.6 | Very high | 96.4 | Very high | 43 Ų | 43 | 29.8 Ų | 29.8 | 23% | 0.225 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 116.7 | 179.9 | -74.8 | -174.1 | 0 | 0 | 0 | 111 | N153 N156 A161 P474 | N153-L159 HydrophobicContact CB-CB 4.15Å; N156-L159 HydrophobicContact CB-CB 4.47Å; N156-L159 HydrophobicContact CB-CD1 3.6Å; N156-L159 HydrophobicContact CB-CG 3.65Å; N156-L159 PolarHBondContact O-N 2.82Å; L159-A161 VanDerWaalsContact C-N 3.3Å; L159-P474 HydrophobicContact CB-CG 4.3Å |
| 160 | G | 96.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 7.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | R158 A315 F316 S475 | R158-G160 PolarHBondContact O-N 3.19Å; R158-G160 VanDerWaalsContact O-N 3.12Å; G160-A315 PolarHBondContact O-N 2.63Å; G160-F316 WeakPolarHBondContact O-CE2 2.98Å; G160-S475 PolarHBondContact N-OG 3.2Å |
| 161 | A | 97.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | trans | -74.2 | 161.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T148 V150 R158 L159 T164 | T148-A161 CarbonylContact O-C 3.6Å; T148-A161 WeakPolarHBondContact O-CA 3.29Å; T148-A161 WeakPolarHBondContact O-CB 3.36Å; V150-A161 HydrophobicContact CG2-CB 3.75Å; R158-A161 WeakPolarHBondContact O-CB 3.49Å; R158-A161 PolarHBondContact O-N 3.37Å; L159-A161 VanDerWaalsContact C-N 3.3Å; A161-T164 HydrophobicContact CB-CG2 4.2Å; A161-T164 PolarHBondContact O-OG1 3.19Å | ||
| 162 | S | 97.4 | Very high | 96.2 | Very high | 6 Ų | 6 | 34.8 Ų | 34.8 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | 158.6 | 170.2 | 59.3 | 0 | 0 | 0 | 0 | 112.2 | T148 T164 S312 L313 S325 | T148-S162 PolarHBondContact O-N 2.86Å; S162-T164 VanDerWaalsContact C-N 3.29Å; S162-T164 PolarHBondContact O-N 2.72Å; S162-S312 WeakPolarHBondContact CB-O 3.24Å; S162-L313 WeakPolarHBondContact CA-O 3.44Å; S162-S325 PolarHBondContact OG-O 3.12Å |
| 163 | N | 96.4 | Very high | 96.1 | Very high | 17 Ų | 17 | 38.4 Ų | 38.4 | 9% | 0.091 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 32.2 | -179.4 | -62.9 | -37.6 | 0 | 0 | 0 | 114.7 | D76 T77 A80 I310 N311 S312 | D76-N163 PolarHBondContact OD2-ND2 2.79Å; D76-N163 VanDerWaalsContact OD2-ND2 3.11Å; T77-N163 WeakPolarHBondContact CA-OD1 3.25Å; T77-N163 WeakPolarHBondContact CB-OD1 3.34Å; T77-N163 WeakPolarHBondContact CG2-OD1 3.39Å; T77-N163 PolarHBondContact N-ND2 3.33Å; T77-N163 PolarHBondContact OG1-OD1 3.12Å; A80-N163 HydrophobicContact CB-CB 4.4Å; N163-I310 HydrophobicContact CB-CD1 4.07Å; N163-N311 WeakPolarHBondContact CA-O 3.27Å; N163-N311 PolarHBondContact N-O 3.04Å; N163-S312 WeakPolarHBondContact OD1-CA 3.37Å |
| 164 | T | 94.5 | Very high | 95.8 | Very high | 14 Ų | 14 | 38.7 Ų | 38.7 | 9% | 0.086 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 158.1 | 174 | 63.8 | 0 | 0 | 0 | 0 | 111.2 | R158 A161 S162 N311 | R158-T164 HydrophobicContact CB-CG2 4.22Å; A161-T164 HydrophobicContact CB-CG2 4.2Å; A161-T164 PolarHBondContact O-OG1 3.19Å; S162-T164 VanDerWaalsContact C-N 3.29Å; S162-T164 PolarHBondContact O-N 2.72Å; T164-N311 PolarHBondContact N-O 3.48Å; T164-N311 PolarHBondContact O-N 3.37Å |
| 165 | P | 94.8 | Very high | 95.6 | Very high | 59 Ų | 59 | 35.1 Ų | 35.1 | 38% | 0.383 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 150.7 | 173.8 | 25.4 | -34.3 | 0 | 0 | 0 | 111.6 | T290 E308 Q309 | P165-T290 HydrophobicContact CB-CG2 3.92Å; P165-E308 HydrophobicContact CB-CB 3.98Å; P165-Q309 WeakPolarHBondContact CA-O 3.15Å |
| 166 | F | 97.5 | Very high | 95.3 | Very high | 6 Ų | 6 | 32.1 Ų | 32.1 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -61.2 | 146.6 | 163.9 | -67.9 | -71.1 | 0 | 0 | 0 | 110.7 | T237 Q309 I310 N311 I476 N478 A481 | F166-T237 HydrophobicContact CE2-CG2 4.25Å; F166-T237 WeakPolarHBondContact CE2-OG1 3.39Å; F166-T237 VanDerWaalsContact CZ-OG1 3.24Å; F166-T237 WeakPolarHBondContact CZ-OG1 3.5Å; F166-Q309 HydrophobicContact CD2-CB 4.1Å; F166-Q309 VanDerWaalsContact CD2-O 3.29Å; F166-Q309 WeakPolarHBondContact CD2-O 3.44Å; F166-Q309 HydrophobicContact CE2-CB 4.29Å; F166-Q309 PolarHBondContact N-O 2.97Å; F166-Q309 VanDerWaalsContact N-O 3.12Å; F166-I310 WeakPolarHBondContact CE2-O 3.4Å; F166-N311 HydrophobicContact CD1-CB 3.93Å; F166-N311 HydrophobicContact CE1-CB 3.53Å; F166-N311 HydrophobicContact CE2-CB 4.31Å; F166-N311 HydrophobicContact CG-CB 4.48Å; F166-N311 HydrophobicContact CZ-CB 3.74Å; F166-I476 WeakPolarHBondContact CA-O 3.38Å; F166-I476 HydrophobicContact CD1-CB 4.05Å; F166-I476 HydrophobicContact CD1-CG2 4.03Å; F166-I476 WeakPolarHBondContact CD1-O 3.32Å; F166-I476 HydrophobicContact CE1-CB 4.23Å; F166-I476 HydrophobicContact CE1-CG2 4.02Å; F166-N478 HydrophobicContact CB-CB 3.76Å; F166-N478 HydrophobicContact CG-CB 4.33Å; F166-A481 HydrophobicContact CD1-CB 4.25Å; F166-A481 HydrophobicContact CE1-CB 3.58Å; F166-A481 HydrophobicContact CZ-CB 3.91Å |
| 167 | T | 96.9 | Very high | 94.8 | Very high | 28 Ų | 28 | 29.9 Ų | 29.9 | 17% | 0.172 | 17% | 0.165 | C | C | . | . | B | Isolated β-bridge | trans | -76.6 | 150.1 | 172.6 | -166.2 | 0 | 0 | 0 | 0 | 111.1 | D473 S475 I476 A477 N478 | T167-D473 WeakPolarHBondContact CB-OD2 3.38Å; T167-D473 PolarHBondContact OG1-OD2 2.91Å; T167-S475 WeakPolarHBondContact CG2-O 3.39Å; T167-I476 PolarHBondContact N-O 3.16Å; T167-A477 HydrophobicContact CG2-CB 3.94Å; T167-A477 VanDerWaalsContact O-CA 3.32Å; T167-A477 WeakPolarHBondContact O-CA 3.44Å; T167-N478 PolarHBondContact O-N 3.38Å |
| 168 | R | 96 | Very high | 94.3 | Very high | 53 Ų | 53 | 31.6 Ų | 31.6 | 20% | 0.2 | 17% | 0.173 | C | C | . | . | trans | -110.7 | 113.9 | 179.6 | -73.4 | -73.5 | -174.7 | -177 | -5.3 | 110 | E308 N478 H581 | R168-E308 WeakPolarHBondContact CG-OE1 3.39Å; R168-E308 IonicContact CZ-OE1 3.38Å; R168-E308 IonicContact CZ-OE2 3.65Å; R168-E308 IonicContact NE-OE1 2.8Å; R168-E308 PolarHBondContact NE-OE1 3Å; R168-E308 IonicContact NE-OE2 3.57Å; R168-E308 PolarHBondContact NE-OE2 3.49Å; R168-E308 IonicContact NH2-OE1 3.51Å; R168-E308 IonicContact NH2-OE2 2.69Å; R168-E308 PolarHBondContact NH2-OE2 3.26Å; R168-N478 PolarHBondContact NH2-ND2 3.49Å; R168-H581 VanDerWaalsContact CZ-O 3.26Å; R168-H581 PolarHBondContact NH1-O 3.35Å; R168-H581 PolarHBondContact NH2-O 2.81Å | ||
| 169 | W | 98 | Very high | 93.9 | Very high | 33 Ų | 33 | 29.3 Ų | 29.3 | 13% | 0.125 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -83.8 | -22.1 | 171.4 | -64.2 | -10.6 | 0 | 0 | 0 | 113.2 | A477 V479 W589 F592 L651 T654 Q655 | W169-A477 HydrophobicContact CD2-CB 3.81Å; W169-A477 VanDerWaalsContact CE2-CB 3.44Å; W169-A477 HydrophobicContact CE3-CB 4.27Å; W169-A477 HydrophobicContact CG-CB 4.29Å; W169-A477 HydrophobicContact CH2-CB 4.04Å; W169-A477 HydrophobicContact CZ2-CB 3.57Å; W169-A477 HydrophobicContact CZ3-CB 4.38Å; W169-V479 HydrophobicContact CE3-CG1 4.07Å; W169-V479 HydrophobicContact CZ3-CG1 4.31Å; W169-W589 HydrophobicContact CB-CH2 4.28Å; W169-W589 HydrophobicContact CB-CZ3 4.06Å; W169-W589 HydrophobicContact CE3-CZ3 4.45Å; W169-F592 HydrophobicContact CB-CD2 4.5Å; W169-F592 HydrophobicContact CB-CE2 3.79Å; W169-F592 HydrophobicContact CB-CZ 3.97Å; W169-F592 HydrophobicContact CD2-CE1 4.47Å; W169-F592 AromaticContact CD2-CZ 3.94Å; W169-F592 HydrophobicContact CD2-CZ 3.94Å; W169-F592 AromaticContact CE3-CE1 3.67Å; W169-F592 HydrophobicContact CE3-CE1 3.67Å; W169-F592 AromaticContact CE3-CZ 3.58Å; W169-F592 HydrophobicContact CE3-CZ 3.58Å; W169-F592 HydrophobicContact CG-CE2 4.38Å; W169-F592 HydrophobicContact CG-CZ 4.14Å; W169-F592 HydrophobicContact CZ3-CE1 4.2Å; W169-F592 HydrophobicContact CZ3-CZ 4.39Å; W169-L651 HydrophobicContact CE3-CD2 4.07Å; W169-L651 HydrophobicContact CZ3-CD2 3.85Å; W169-T654 HydrophobicContact CH2-CG2 3.58Å; W169-T654 HydrophobicContact CZ2-CG2 3.91Å; W169-T654 HydrophobicContact CZ3-CG2 3.91Å; W169-Q655 HydrophobicContact CH2-CB 4.11Å |
| 170 | L | 97.8 | Very high | 93.7 | Very high | 31 Ų | 31 | 30.3 Ų | 30.3 | 16% | 0.162 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -131.4 | 149.2 | 169.2 | -67.6 | 179.6 | 0 | 0 | 0 | 108.8 | P584 A588 W589 F592 | L170-P584 HydrophobicContact CB-CG 4Å; L170-P584 HydrophobicContact CD1-CB 4.42Å; L170-P584 HydrophobicContact CD1-CG 4.31Å; L170-A588 HydrophobicContact CD1-CB 4.08Å; L170-W589 HydrophobicContact CB-CH2 3.86Å; L170-W589 HydrophobicContact CB-CZ2 4.15Å; L170-W589 HydrophobicContact CB-CZ3 4.27Å; L170-W589 HydrophobicContact CD1-CD2 3.74Å; L170-W589 HydrophobicContact CD1-CE3 3.65Å; L170-W589 HydrophobicContact CD1-CG 4.38Å; L170-W589 HydrophobicContact CD1-CH2 3.98Å; L170-W589 HydrophobicContact CD1-CZ2 4.07Å; L170-W589 HydrophobicContact CD1-CZ3 3.76Å; L170-W589 HydrophobicContact CG-CE3 4.16Å; L170-W589 HydrophobicContact CG-CH2 3.88Å; L170-W589 HydrophobicContact CG-CZ2 4.36Å; L170-W589 HydrophobicContact CG-CZ3 3.76Å; L170-F592 HydrophobicContact CD1-CB 4.26Å; L170-F592 HydrophobicContact CD2-CB 4.5Å; L170-F592 HydrophobicContact CD2-CD2 4.2Å; L170-F592 HydrophobicContact CG-CD2 4.38Å |
| 171 | P | 94.6 | Very high | 93.5 | Very high | 97 Ų | 97 | 30.5 Ų | 30.5 | 63% | 0.63 | 17% | 0.17 | S | C | * | . | trans | -55.3 | 141.7 | 173.1 | -24.5 | 34.4 | 0 | 0 | 0 | 111.6 | P584 | P171-P584 VanDerWaalsContact O-CG 3.29Å; P171-P584 WeakPolarHBondContact O-CG 3.35Å | ||
| 172 | S | 93.9 | Very high | 93.3 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | trans | -71.3 | 153.7 | 175.3 | 48.8 | 0 | 0 | 0 | 0 | 112.2 | K306 G582 | S172-K306 VanDerWaalsContact O-CD 3.25Å; S172-K306 WeakPolarHBondContact O-CD 3.33Å; S172-K306 WeakPolarHBondContact O-CE 3.49Å; S172-K306 PolarHBondContact O-NZ 2.75Å; S172-K306 WeakPolarHBondContact OG-CB 3.27Å; S172-K306 WeakPolarHBondContact OG-CD 3.09Å; S172-G582 CarbonylContact C-O 3.55Å; S172-G582 WeakPolarHBondContact CA-O 3.46Å; S172-G582 WeakPolarHBondContact CB-O 3.17Å | ||
| 173 | E | 93.9 | Very high | 92.9 | Very high | 81 Ų | 81 | 32.2 Ų | 32.2 | 38% | 0.379 | 18% | 0.183 | S | C | . | . | trans | -125.1 | 106.4 | -180 | -70.7 | 175.4 | -162.9 | 0 | 0 | 108.9 | K182 G582 P584 | E173-K182 VanDerWaalsContact O-CE 3.25Å; E173-K182 WeakPolarHBondContact O-CE 3.4Å; E173-K182 VanDerWaalsContact O-CG 3.31Å; E173-K182 WeakPolarHBondContact O-CG 3.44Å; E173-K182 WeakPolarHBondContact OE2-CE 3.45Å; E173-K182 IonicContact OE2-NZ 3.58Å; E173-K182 PolarHBondContact OE2-NZ 3.18Å; E173-G582 PolarHBondContact N-O 2.62Å; E173-G582 VanDerWaalsContact O-CA 3.23Å; E173-G582 WeakPolarHBondContact O-CA 3.33Å; E173-P584 HydrophobicContact CG-CG 4.42Å | ||
| 174 | Y | 92.9 | Very high | 92.6 | Very high | 7 Ų | 7 | 34 Ų | 34 | 3% | 0.027 | 19% | 0.188 | C | C | . | . | trans | -111.9 | 158.4 | 177.3 | -71.7 | -67.6 | 0 | 0 | 0 | 110.3 | G177 I178 Q180 K306 R307 Q309 D580 | Y174-G177 PolarHBondContact O-N 2.82Å; Y174-I178 WeakPolarHBondContact CD2-O 3.48Å; Y174-Q180 CarbonylContact C-O 3.56Å; Y174-Q180 WeakPolarHBondContact CA-O 3.15Å; Y174-Q180 VanDerWaalsContact CB-O 3.28Å; Y174-Q180 WeakPolarHBondContact CB-O 3.24Å; Y174-Q180 WeakPolarHBondContact CD1-O 3.47Å; Y174-K306 HydrophobicContact CD2-CB 4.05Å; Y174-K306 HydrophobicContact CD2-CD 4.39Å; Y174-K306 HydrophobicContact CD2-CG 4.49Å; Y174-K306 HydrophobicContact CE2-CB 3.98Å; Y174-R307 HydrophobicContact CE2-CB 4.14Å; Y174-R307 WeakPolarHBondContact CE2-O 3.25Å; Y174-R307 PolarHBondContact OH-O 2.92Å; Y174-Q309 PolarHBondContact OH-NE2 3.02Å; Y174-D580 WeakPolarHBondContact CE1-O 3.48Å | ||
| 175 | D | 91 | Very high | 92.3 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -60.7 | 176.1 | -87.8 | 20.1 | 0 | 0 | 0 | 109.5 | G177 Q180 K182 G183 W184 N185 R188 F190 | D175-G177 PolarHBondContact O-N 2.69Å; D175-G177 VanDerWaalsContact O-N 3.08Å; D175-Q180 HydrophobicContact CB-CB 4.01Å; D175-Q180 PolarHBondContact N-O 3.32Å; D175-K182 WeakPolarHBondContact OD1-CA 3.45Å; D175-G183 PolarHBondContact OD1-N 3.1Å; D175-G183 PolarHBondContact OD2-N 3.32Å; D175-W184 HydrophobicContact CB-CB 4.49Å; D175-W184 PolarHBondContact OD2-N 3.39Å; D175-N185 PolarHBondContact OD2-N 2.78Å; D175-R188 VanDerWaalsContact C-NH1 3.31Å; D175-R188 PolarHBondContact O-NH1 3.11Å; D175-R188 PolarHBondContact O-NH2 3.01Å; D175-F190 WeakPolarHBondContact OD1-CZ 3.48Å |
| 176 | D | 86.9 | Confident | 91.9 | Very high | 47 Ų | 47 | 41 Ų | 41 | 25% | 0.251 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | 2.7 | 178.1 | 67.4 | -15.5 | 0 | 0 | 0 | 114.1 | I178 S179 Q180 Y295 | D176-I178 PolarHBondContact O-N 2.94Å; D176-I178 PolarHBondContact OD1-N 3.41Å; D176-S179 PolarHBondContact OD1-N 2.86Å; D176-S179 PolarHBondContact OD2-N 3.38Å; D176-Q180 HydrophobicContact CB-CB 4.08Å; D176-Q180 HydrophobicContact CB-CG 4.09Å; D176-Q180 VanDerWaalsContact CG-N 3.34Å; D176-Q180 PolarHBondContact OD1-N 3.07Å; D176-Q180 PolarHBondContact OD2-N 3.13Å; D176-Y295 VanDerWaalsContact OD2-CZ 3.29Å; D176-Y295 PolarHBondContact OD2-OH 3.05Å |
| 177 | G | 86.8 | Confident | 91.5 | Very high | 32 Ų | 32 | 46 Ų | 46 | 33% | 0.33 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 72.5 | 2.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y174 D175 K306 | Y174-G177 PolarHBondContact O-N 2.82Å; D175-G177 PolarHBondContact O-N 2.69Å; D175-G177 VanDerWaalsContact O-N 3.08Å; G177-K306 WeakPolarHBondContact O-CE 3.21Å; G177-K306 WeakPolarHBondContact O-CG 3.25Å |
| 178 | I | 84.6 | Confident | 91.3 | Very high | 45 Ų | 45 | 49.5 Ų | 49.5 | 23% | 0.231 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -126.3 | -59.2 | -174.9 | -59.7 | 174.7 | 0 | 0 | 0 | 111.6 | Y174 D176 Y295 K306 R307 | Y174-I178 WeakPolarHBondContact CD2-O 3.48Å; D176-I178 PolarHBondContact O-N 2.94Å; D176-I178 PolarHBondContact OD1-N 3.41Å; I178-Y295 HydrophobicContact CB-CD1 4.48Å; I178-Y295 HydrophobicContact CB-CE1 4.11Å; I178-Y295 HydrophobicContact CD1-CD1 4.15Å; I178-Y295 HydrophobicContact CD1-CE1 3.87Å; I178-Y295 HydrophobicContact CG2-CD1 3.75Å; I178-Y295 HydrophobicContact CG2-CE1 3.86Å; I178-Y295 HydrophobicContact CG2-CG 4.22Å; I178-K306 CarbonylContact O-C 3.47Å; I178-K306 WeakPolarHBondContact O-CA 3.46Å; I178-R307 PolarHBondContact O-N 3.16Å |
| 179 | S | 87.8 | Confident | 91.1 | Very high | 7 Ų | 7 | 54.7 Ų | 54.7 | 5% | 0.049 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -151.3 | -17.4 | -171.6 | 79.3 | 0 | 0 | 0 | 0 | 116.3 | D176 P181 R286 Y295 | D176-S179 PolarHBondContact OD1-N 2.86Å; D176-S179 PolarHBondContact OD2-N 3.38Å; S179-P181 WeakPolarHBondContact O-CD 3.21Å; S179-R286 VanDerWaalsContact O-CZ 3.25Å; S179-R286 PolarHBondContact O-NH1 3.48Å; S179-R286 PolarHBondContact O-NH2 3.37Å; S179-Y295 WeakPolarHBondContact OG-CE2 3.43Å |
| 180 | Q | 91.1 | Very high | 90.9 | Very high | 65 Ų | 65 | 54.4 Ų | 54.4 | 30% | 0.304 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -69.8 | 121.4 | -179.7 | -73.5 | -179.2 | 6.1 | 0 | 0 | 109.5 | Y174 D175 D176 W184 | Y174-Q180 CarbonylContact C-O 3.56Å; Y174-Q180 WeakPolarHBondContact CA-O 3.15Å; Y174-Q180 VanDerWaalsContact CB-O 3.28Å; Y174-Q180 WeakPolarHBondContact CB-O 3.24Å; Y174-Q180 WeakPolarHBondContact CD1-O 3.47Å; D175-Q180 HydrophobicContact CB-CB 4.01Å; D175-Q180 PolarHBondContact N-O 3.32Å; D176-Q180 HydrophobicContact CB-CB 4.08Å; D176-Q180 HydrophobicContact CB-CG 4.09Å; D176-Q180 VanDerWaalsContact CG-N 3.34Å; D176-Q180 PolarHBondContact OD1-N 3.07Å; D176-Q180 PolarHBondContact OD2-N 3.13Å; Q180-W184 HydrophobicContact CB-CB 4.29Å; Q180-W184 HydrophobicContact CB-CG 4.27Å |
| 181 | P | 93.3 | Very high | 90.7 | Very high | 5 Ų | 5 | 57.1 Ų | 57.1 | 3% | 0.032 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -50.4 | 152.8 | -179.9 | -29.8 | 36.3 | 0 | 0 | 0 | 113.4 | S179 G183 W184 I263 R579 | S179-P181 WeakPolarHBondContact O-CD 3.21Å; P181-G183 PolarHBondContact O-N 2.78Å; P181-W184 HydrophobicContact CG-CE3 4.15Å; P181-W184 WeakPolarHBondContact O-CB 3.24Å; P181-W184 PolarHBondContact O-N 2.67Å; P181-W184 VanDerWaalsContact O-N 3.08Å; P181-I263 HydrophobicContact CG-CG2 4.02Å; P181-R579 WeakPolarHBondContact CA-O 3.38Å |
| 182 | K | 92.9 | Very high | 90.8 | Very high | 20 Ų | 20 | 58.8 Ų | 58.8 | 9% | 0.087 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 128.6 | 172.7 | -80.8 | -177.4 | 170.6 | 175 | 0 | 111.9 | E173 D175 W184 F190 L195 R579 L583 | E173-K182 VanDerWaalsContact O-CE 3.25Å; E173-K182 WeakPolarHBondContact O-CE 3.4Å; E173-K182 VanDerWaalsContact O-CG 3.31Å; E173-K182 WeakPolarHBondContact O-CG 3.44Å; E173-K182 WeakPolarHBondContact OE2-CE 3.45Å; E173-K182 IonicContact OE2-NZ 3.58Å; E173-K182 PolarHBondContact OE2-NZ 3.18Å; D175-K182 WeakPolarHBondContact OD1-CA 3.45Å; K182-W184 VanDerWaalsContact C-N 3.31Å; K182-F190 HydrophobicContact CG-CE1 4.26Å; K182-F190 HydrophobicContact CG-CZ 4.27Å; K182-L195 HydrophobicContact CB-CD1 3.94Å; K182-R579 HydrophobicContact CB-CB 3.88Å; K182-R579 HydrophobicContact CB-CG 3.97Å; K182-R579 PolarHBondContact N-O 2.93Å; K182-R579 WeakPolarHBondContact O-CD 3.41Å; K182-L583 PolarHBondContact NZ-O 3.04Å |
| 183 | G | 88.3 | Confident | 90.9 | Very high | 22 Ų | 22 | 62.9 Ų | 62.9 | 23% | 0.227 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 17.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D175 P181 N185 | D175-G183 PolarHBondContact OD1-N 3.1Å; D175-G183 PolarHBondContact OD2-N 3.32Å; P181-G183 PolarHBondContact O-N 2.78Å; G183-N185 VanDerWaalsContact C-N 3.34Å |
| 184 | W | 90.3 | Very high | 91 | Very high | 54 Ų | 54 | 63 Ų | 63 | 21% | 0.205 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -59.2 | -47.8 | 168.7 | -179.2 | -87.2 | 0 | 0 | 0 | 110.5 | D175 Q180 P181 K182 H258 I263 | D175-W184 HydrophobicContact CB-CB 4.49Å; D175-W184 PolarHBondContact OD2-N 3.39Å; Q180-W184 HydrophobicContact CB-CB 4.29Å; Q180-W184 HydrophobicContact CB-CG 4.27Å; P181-W184 HydrophobicContact CG-CE3 4.15Å; P181-W184 WeakPolarHBondContact O-CB 3.24Å; P181-W184 PolarHBondContact O-N 2.67Å; P181-W184 VanDerWaalsContact O-N 3.08Å; K182-W184 VanDerWaalsContact C-N 3.31Å; W184-H258 HydrophobicContact CD2-CB 4.03Å; W184-H258 HydrophobicContact CE3-CB 4.08Å; W184-H258 HydrophobicContact CH2-CB 3.69Å; W184-H258 HydrophobicContact CZ2-CB 3.59Å; W184-H258 HydrophobicContact CZ3-CB 3.93Å; W184-H258 PolarHBondContact O-CE1 2.87Å; W184-H258 PolarHBondContact O-ND1 2.85Å; W184-H258 VanDerWaalsContact O-ND1 3.08Å; W184-I263 HydrophobicContact CE3-CG2 4.22Å; W184-I263 HydrophobicContact CZ3-CG2 3.75Å |
| 185 | N | 89.6 | Confident | 91.1 | Very high | 78 Ų | 78 | 64 Ų | 64 | 42% | 0.417 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -88.1 | 107.3 | 169.1 | -178.3 | -6.5 | 0 | 0 | 0 | 110.3 | D175 G183 T187 R188 | D175-N185 PolarHBondContact OD2-N 2.78Å; G183-N185 VanDerWaalsContact C-N 3.34Å; N185-T187 PolarHBondContact O-N 3.39Å; N185-T187 VanDerWaalsContact O-N 3.13Å; N185-T187 PolarHBondContact OD1-N 3.2Å; N185-T187 PolarHBondContact OD1-OG1 3.04Å; N185-R188 HydrophobicContact CB-CB 4.11Å; N185-R188 WeakPolarHBondContact O-CB 3.44Å; N185-R188 PolarHBondContact O-N 2.88Å; N185-R188 VanDerWaalsContact O-N 3.09Å |
| 186 | R | 85.3 | Confident | 91.4 | Very high | 143 Ų | 143 | 64.3 Ų | 64.3 | 54% | 0.54 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -14.3 | -176.5 | -62.8 | -171.8 | -174.9 | 166.2 | 9.2 | 114.8 | ||
| 187 | T | 90 | Very high | 91.8 | Very high | 111 Ų | 111 | 64.4 Ų | 64.4 | 68% | 0.681 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -11.7 | 176.9 | 67 | 0 | 0 | 0 | 0 | 112.8 | N185 | N185-T187 PolarHBondContact O-N 3.39Å; N185-T187 VanDerWaalsContact O-N 3.13Å; N185-T187 PolarHBondContact OD1-N 3.2Å; N185-T187 PolarHBondContact OD1-OG1 3.04Å |
| 188 | R | 91.8 | Very high | 92.3 | Very high | 102 Ų | 102 | 63 Ų | 63 | 39% | 0.385 | 30% | 0.304 | S | S | . | . | trans | -70.3 | 131.7 | 179.1 | -175.8 | -173.9 | 178.8 | 125.7 | -15.8 | 110.6 | D175 N185 F190 L194 | D175-R188 VanDerWaalsContact C-NH1 3.31Å; D175-R188 PolarHBondContact O-NH1 3.11Å; D175-R188 PolarHBondContact O-NH2 3.01Å; N185-R188 HydrophobicContact CB-CB 4.11Å; N185-R188 WeakPolarHBondContact O-CB 3.44Å; N185-R188 PolarHBondContact O-N 2.88Å; N185-R188 VanDerWaalsContact O-N 3.09Å; R188-F190 HydrophobicContact CB-CE2 4.48Å; R188-F190 HydrophobicContact CG-CE2 4Å; R188-F190 HydrophobicContact CG-CZ 4.4Å; R188-L194 WeakPolarHBondContact O-CD2 3.46Å | ||
| 189 | R | 92.8 | Very high | 92.9 | Very high | 162 Ų | 162 | 60.9 Ų | 60.9 | 61% | 0.611 | 29% | 0.293 | S | S | * | . | trans | -95.5 | 139.9 | 174 | -67.4 | 176.1 | 177.1 | -108.7 | 1.5 | 111.4 | N192 F193 L194 | R189-N192 PolarHBondContact NH1-O 3.21Å; R189-F193 CarbonylContact C-O 3.53Å; R189-F193 VanDerWaalsContact CA-O 3.23Å; R189-F193 WeakPolarHBondContact CA-O 3.1Å; R189-L194 HydrophobicContact CG-CD2 3.81Å; R189-L194 HydrophobicContact CG-CG 4.4Å | ||
| 190 | F | 93.3 | Very high | 93.3 | Very high | 26 Ų | 26 | 64 Ų | 64 | 11% | 0.114 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -113 | 122.7 | 170.9 | -72.7 | -91.3 | 0 | 0 | 0 | 108.2 | D175 K182 R188 N192 F193 L195 N626 | D175-F190 WeakPolarHBondContact OD1-CZ 3.48Å; K182-F190 HydrophobicContact CG-CE1 4.26Å; K182-F190 HydrophobicContact CG-CZ 4.27Å; R188-F190 HydrophobicContact CB-CE2 4.48Å; R188-F190 HydrophobicContact CG-CE2 4Å; R188-F190 HydrophobicContact CG-CZ 4.4Å; F190-N192 PolarHBondContact O-N 3.3Å; F190-N192 VanDerWaalsContact O-N 3.16Å; F190-F193 PolarHBondContact N-O 3.41Å; F190-F193 PolarHBondContact O-N 2.92Å; F190-F193 VanDerWaalsContact O-O 3.1Å; F190-L195 HydrophobicContact CB-CD2 4.21Å; F190-L195 HydrophobicContact CB-CG 4.41Å; F190-L195 HydrophobicContact CD2-CD1 3.77Å; F190-L195 HydrophobicContact CD2-CD2 4.4Å; F190-L195 HydrophobicContact CD2-CG 3.72Å; F190-L195 HydrophobicContact CE2-CD1 3.95Å; F190-L195 HydrophobicContact CE2-CG 4.35Å; F190-L195 HydrophobicContact CG-CD1 4.28Å; F190-L195 HydrophobicContact CG-CD2 4.39Å; F190-L195 HydrophobicContact CG-CG 4.2Å; F190-N626 PolarHBondContact O-ND2 3.18Å |
| 191 | N | 94.3 | Very high | 93.6 | Very high | 89 Ų | 89 | 61 Ų | 61 | 48% | 0.476 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 41.1 | -176.1 | -58.6 | -54 | 0 | 0 | 0 | 112.3 | F193 T623 N626 | N191-F193 VanDerWaalsContact C-N 3.3Å; N191-F193 WeakPolarHBondContact O-CD2 3.39Å; N191-F193 WeakPolarHBondContact O-CE2 3.31Å; N191-F193 PolarHBondContact O-N 2.95Å; N191-T623 HydrophobicContact CB-CG2 3.74Å; N191-N626 PolarHBondContact ND2-OD1 3.03Å |
| 192 | N | 95.4 | Very high | 93.7 | Very high | 132 Ų | 132 | 60.7 Ų | 60.7 | 71% | 0.706 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 3.7 | -175.5 | -56.2 | -39.8 | 0 | 0 | 0 | 117.4 | R189 F190 | R189-N192 PolarHBondContact NH1-O 3.21Å; F190-N192 PolarHBondContact O-N 3.3Å; F190-N192 VanDerWaalsContact O-N 3.16Å |
| 193 | F | 96.3 | Very high | 93.9 | Very high | 88 Ų | 88 | 61.4 Ų | 61.4 | 39% | 0.386 | 30% | 0.295 | S | S | . | . | B | Isolated β-bridge | trans | -118.1 | 154.1 | 178.3 | -59.7 | -82.9 | 0 | 0 | 0 | 112.5 | R189 F190 N191 T623 | R189-F193 CarbonylContact C-O 3.53Å; R189-F193 VanDerWaalsContact CA-O 3.23Å; R189-F193 WeakPolarHBondContact CA-O 3.1Å; F190-F193 PolarHBondContact N-O 3.41Å; F190-F193 PolarHBondContact O-N 2.92Å; F190-F193 VanDerWaalsContact O-O 3.1Å; N191-F193 VanDerWaalsContact C-N 3.3Å; N191-F193 WeakPolarHBondContact O-CD2 3.39Å; N191-F193 WeakPolarHBondContact O-CE2 3.31Å; N191-F193 PolarHBondContact O-N 2.95Å; F193-T623 HydrophobicContact CD2-CG2 3.91Å; F193-T623 HydrophobicContact CE2-CG2 4.2Å |
| 194 | L | 95.7 | Very high | 94.2 | Very high | 83 Ų | 83 | 63.7 Ų | 63.7 | 44% | 0.435 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 143.7 | 166.7 | -62.4 | 176.7 | 0 | 0 | 0 | 108.9 | R188 R189 | R188-L194 WeakPolarHBondContact O-CD2 3.46Å; R189-L194 HydrophobicContact CG-CD2 3.81Å; R189-L194 HydrophobicContact CG-CG 4.4Å |
| 195 | L | 96.3 | Very high | 94.4 | Very high | 29 Ų | 29 | 61.7 Ų | 61.7 | 15% | 0.152 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 137.9 | 172.2 | -66 | 177.8 | 0 | 0 | 0 | 109.7 | K182 F190 N626 | K182-L195 HydrophobicContact CB-CD1 3.94Å; F190-L195 HydrophobicContact CB-CD2 4.21Å; F190-L195 HydrophobicContact CB-CG 4.41Å; F190-L195 HydrophobicContact CD2-CD1 3.77Å; F190-L195 HydrophobicContact CD2-CD2 4.4Å; F190-L195 HydrophobicContact CD2-CG 3.72Å; F190-L195 HydrophobicContact CE2-CD1 3.95Å; F190-L195 HydrophobicContact CE2-CG 4.35Å; F190-L195 HydrophobicContact CG-CD1 4.28Å; F190-L195 HydrophobicContact CG-CD2 4.39Å; F190-L195 HydrophobicContact CG-CG 4.2Å; L195-N626 HydrophobicContact CD2-CB 4Å |
| 196 | P | 96.9 | Very high | 94.7 | Very high | 11 Ų | 11 | 58 Ų | 58 | 7% | 0.071 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -70 | 156.3 | 179.7 | 28.9 | -34.9 | 0 | 0 | 0 | 111.3 | V198 V201 R579 L620 Y621 | P196-V198 PolarHBondContact O-N 2.73Å; P196-V201 HydrophobicContact CB-CG2 3.72Å; P196-V201 HydrophobicContact CG-CG2 3.59Å; P196-R579 PolarHBondContact O-NH1 2.96Å; P196-R579 PolarHBondContact O-NH2 3.37Å; P196-L620 HydrophobicContact CB-CB 4.26Å; P196-L620 WeakPolarHBondContact CB-O 3.43Å; P196-L620 HydrophobicContact CG-CB 4.39Å; P196-Y621 HydrophobicContact CG-CD1 3.63Å; P196-Y621 HydrophobicContact CG-CD2 4.05Å; P196-Y621 HydrophobicContact CG-CE1 3.49Å; P196-Y621 VanDerWaalsContact CG-CE1 3.49Å; P196-Y621 HydrophobicContact CG-CE2 3.9Å; P196-Y621 HydrophobicContact CG-CG 3.93Å |
| 197 | L | 96.1 | Very high | 95 | Very high | 49 Ų | 49 | 53.6 Ų | 53.6 | 26% | 0.257 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 125.1 | 168.6 | -61.6 | -178.7 | 0 | 0 | 0 | 109 | R199 Q200 V201 P266 P268 | L197-R199 PolarHBondContact O-N 3.22Å; L197-Q200 HydrophobicContact CB-CB 4.01Å; L197-Q200 WeakPolarHBondContact O-CA 3.13Å; L197-Q200 VanDerWaalsContact O-CB 3.27Å; L197-Q200 WeakPolarHBondContact O-CB 3.28Å; L197-Q200 PolarHBondContact O-N 2.86Å; L197-V201 PolarHBondContact O-N 3.14Å; L197-V201 VanDerWaalsContact O-N 3.07Å; L197-P266 HydrophobicContact CD1-CB 4.46Å; L197-P266 HydrophobicContact CD2-CB 4Å; L197-P266 HydrophobicContact CD2-CG 3.99Å; L197-P268 HydrophobicContact CD1-CB 4.09Å |
| 198 | V | 97.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.6 | -31.7 | -176 | -64.8 | 0 | 0 | 0 | 0 | 112.9 | P196 V201 S202 I265 A572 M575 Q576 | P196-V198 PolarHBondContact O-N 2.73Å; V198-V201 PolarHBondContact O-N 2.03Å; V198-S202 PolarHBondContact O-N 2.82Å; V198-I265 HydrophobicContact CG2-CB 4.34Å; V198-I265 HydrophobicContact CG2-CD1 4.21Å; V198-I265 HydrophobicContact CG2-CG1 3.98Å; V198-I265 HydrophobicContact CG2-CG2 3.54Å; V198-A572 HydrophobicContact CB-CB 4.45Å; V198-A572 HydrophobicContact CG2-CB 4.09Å; V198-M575 HydrophobicContact CB-CB 3.91Å; V198-M575 HydrophobicContact CB-CE 4.22Å; V198-M575 HydrophobicContact CG1-CB 3.52Å; V198-M575 WeakPolarHBondContact O-CE 3.25Å; V198-Q576 HydrophobicContact CG2-CB 4.26Å |
| 199 | R | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.9 | -34.8 | 173.8 | 178.8 | 59.3 | 177.8 | 178.9 | 3.7 | 112.2 | L197 S202 N203 I265 P268 D271 I282 R556 D557 D569 | L197-R199 PolarHBondContact O-N 3.22Å; R199-S202 WeakPolarHBondContact O-CB 3.42Å; R199-S202 PolarHBondContact O-N 3.01Å; R199-N203 VanDerWaalsContact CZ-OD1 3.27Å; R199-N203 PolarHBondContact NE-OD1 3.34Å; R199-N203 PolarHBondContact O-N 3.26Å; R199-N203 PolarHBondContact O-ND2 2.88Å; R199-I265 HydrophobicContact CB-CG2 3.94Å; R199-P268 HydrophobicContact CG-CG 4.21Å; R199-D271 VanDerWaalsContact CG-OD2 3.3Å; R199-D271 WeakPolarHBondContact CG-OD2 3.43Å; R199-D271 IonicContact CZ-OD2 3.69Å; R199-D271 IonicContact NE-OD1 3.57Å; R199-D271 IonicContact NE-OD2 3.93Å; R199-D271 PolarHBondContact NE-OD2 3.47Å; R199-D271 IonicContact NH2-OD1 3.93Å; R199-D271 PolarHBondContact NH2-OD1 3.13Å; R199-D271 IonicContact NH2-OD2 2.7Å; R199-I282 HydrophobicContact CG-CD1 4.49Å; R199-R556 PolarHBondContact NH1-O 2.98Å; R199-D557 IonicContact CZ-OD1 2.7Å; R199-D557 IonicContact NH1-OD1 3.62Å; R199-D557 PolarHBondContact NH1-OD1 3.27Å; R199-D557 IonicContact NH2-OD1 3.87Å; R199-D557 PolarHBondContact NH2-OD1 3.37Å; R199-D569 WeakPolarHBondContact CD-OD2 3.37Å; R199-D569 IonicContact CZ-OD2 3.59Å; R199-D569 IonicContact NE-OD2 2.71Å; R199-D569 IonicContact NH1-OD2 3.41Å; R199-D569 PolarHBondContact NH1-OD2 3Å |
| 200 | Q | 96.3 | Very high | 94.2 | Very high | 74 Ų | 74 | 43.7 Ų | 43.7 | 35% | 0.346 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.7 | -43.9 | 172.7 | -171.7 | -179.4 | 4 | 0 | 0 | 110.9 | L197 S202 N203 S204 P268 L620 | L197-Q200 HydrophobicContact CB-CB 4.01Å; L197-Q200 WeakPolarHBondContact O-CA 3.13Å; L197-Q200 VanDerWaalsContact O-CB 3.27Å; L197-Q200 WeakPolarHBondContact O-CB 3.28Å; L197-Q200 PolarHBondContact O-N 2.86Å; Q200-S202 VanDerWaalsContact C-N 3.32Å; Q200-S202 PolarHBondContact O-N 3Å; Q200-N203 PolarHBondContact O-N 3.48Å; Q200-S204 WeakPolarHBondContact O-CB 3.18Å; Q200-S204 PolarHBondContact O-N 3.24Å; Q200-S204 PolarHBondContact O-OG 3.44Å; Q200-P268 HydrophobicContact CB-CB 3.96Å; Q200-P268 HydrophobicContact CB-CG 4.13Å; Q200-P268 HydrophobicContact CG-CB 4.35Å; Q200-L620 HydrophobicContact CG-CD2 4.15Å |
| 201 | V | 97.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 175.3 | -177.4 | 0 | 0 | 0 | 0 | 110.9 | P196 L197 V198 N203 S204 I205 M575 L620 Y621 L631 | P196-V201 HydrophobicContact CB-CG2 3.72Å; P196-V201 HydrophobicContact CG-CG2 3.59Å; L197-V201 PolarHBondContact O-N 3.14Å; L197-V201 VanDerWaalsContact O-N 3.07Å; V198-V201 PolarHBondContact O-N 2.03Å; V201-N203 PolarHBondContact O-N 3.41Å; V201-S204 PolarHBondContact O-N 3.06Å; V201-I205 HydrophobicContact CG1-CG1 4.16Å; V201-I205 WeakPolarHBondContact O-CB 3.21Å; V201-I205 PolarHBondContact O-N 3.47Å; V201-M575 HydrophobicContact CB-CE 3.97Å; V201-M575 HydrophobicContact CB-SD 3.98Å; V201-M575 HydrophobicContact CG1-CE 4.02Å; V201-M575 HydrophobicContact CG1-SD 3.66Å; V201-L620 HydrophobicContact CG2-CD1 4.26Å; V201-Y621 HydrophobicContact CG1-CE2 4.03Å; V201-Y621 HydrophobicContact CG2-CE2 3.93Å; V201-L631 HydrophobicContact CG1-CD2 3.41Å; V201-L631 VanDerWaalsContact CG1-CD2 3.41Å |
| 202 | S | 96.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -59.1 | -46.7 | 175.2 | -175 | 0 | 0 | 0 | 0 | 112.5 | V198 R199 Q200 S204 L206 S207 R556 D569 | V198-S202 PolarHBondContact O-N 2.82Å; R199-S202 WeakPolarHBondContact O-CB 3.42Å; R199-S202 PolarHBondContact O-N 3.01Å; Q200-S202 VanDerWaalsContact C-N 3.32Å; Q200-S202 PolarHBondContact O-N 3Å; S202-S204 PolarHBondContact O-N 3Å; S202-L206 WeakPolarHBondContact O-CB 3.49Å; S202-L206 PolarHBondContact O-N 2.98Å; S202-S207 PolarHBondContact O-N 3.34Å; S202-R556 WeakPolarHBondContact OG-CG 3.39Å; S202-D569 WeakPolarHBondContact CB-OD2 3.34Å; S202-D569 VanDerWaalsContact OG-CG 3.29Å; S202-D569 PolarHBondContact OG-OD1 2.83Å; S202-D569 PolarHBondContact OG-OD2 3.46Å |
| 203 | N | 95.1 | Very high | 93.1 | Very high | 34 Ų | 34 | 38.9 Ų | 38.9 | 18% | 0.182 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -63 | -43.2 | 178.4 | -68.9 | -16.1 | 0 | 0 | 0 | 112.2 | R199 Q200 V201 D271 R556 | R199-N203 VanDerWaalsContact CZ-OD1 3.27Å; R199-N203 PolarHBondContact NE-OD1 3.34Å; R199-N203 PolarHBondContact O-N 3.26Å; R199-N203 PolarHBondContact O-ND2 2.88Å; Q200-N203 PolarHBondContact O-N 3.48Å; V201-N203 PolarHBondContact O-N 3.41Å; N203-D271 PolarHBondContact ND2-OD2 2.77Å; N203-R556 PolarHBondContact OD1-NH1 2.7Å |
| 204 | S | 94.8 | Very high | 93 | Very high | 71 Ų | 71 | 37.7 Ų | 37.7 | 50% | 0.497 | 23% | 0.233 | S | C | . | . | I | π-helix | trans | -84.7 | -26.5 | -172.7 | -60.6 | 0 | 0 | 0 | 0 | 114.7 | Q200 V201 S202 | Q200-S204 WeakPolarHBondContact O-CB 3.18Å; Q200-S204 PolarHBondContact O-N 3.24Å; Q200-S204 PolarHBondContact O-OG 3.44Å; V201-S204 PolarHBondContact O-N 3.06Å; S202-S204 PolarHBondContact O-N 3Å |
| 205 | I | 96.3 | Very high | 93 | Very high | 12 Ų | 12 | 37.7 Ų | 37.7 | 6% | 0.062 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -117.2 | -40.8 | -172.2 | -53.4 | -62.9 | 0 | 0 | 0 | 112.4 | V201 M550 L613 N616 L617 L620 L631 | V201-I205 HydrophobicContact CG1-CG1 4.16Å; V201-I205 WeakPolarHBondContact O-CB 3.21Å; V201-I205 PolarHBondContact O-N 3.47Å; I205-M550 HydrophobicContact CG2-CE 4.48Å; I205-M550 HydrophobicContact CG2-SD 4.29Å; I205-L613 HydrophobicContact CD1-CD1 4.25Å; I205-L613 HydrophobicContact CG2-CD1 3.83Å; I205-N616 HydrophobicContact CD1-CB 3.68Å; I205-L617 HydrophobicContact CD1-CD2 4.37Å; I205-L617 HydrophobicContact CG1-CD2 4.31Å; I205-L620 HydrophobicContact CD1-CD1 4.1Å; I205-L620 HydrophobicContact CG1-CD1 3.87Å; I205-L631 HydrophobicContact CG2-CD1 4.11Å |
| 206 | L | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -91 | -18.5 | -167 | -59.5 | 180 | 0 | 0 | 0 | 114.1 | S202 T208 M550 M551 M575 W630 L631 | S202-L206 WeakPolarHBondContact O-CB 3.49Å; S202-L206 PolarHBondContact O-N 2.98Å; L206-T208 PolarHBondContact O-N 3.16Å; L206-M550 HydrophobicContact CD2-CB 4.16Å; L206-M550 HydrophobicContact CD2-SD 3.63Å; L206-M551 HydrophobicContact CB-CB 4.13Å; L206-M551 WeakPolarHBondContact O-CA 3.28Å; L206-M551 WeakPolarHBondContact O-CB 3.23Å; L206-M551 PolarHBondContact O-N 2.8Å; L206-M575 HydrophobicContact CD1-CE 4.08Å; L206-W630 HydrophobicContact CD1-CH2 3.87Å; L206-W630 HydrophobicContact CD1-CZ3 3.74Å; L206-W630 HydrophobicContact CD2-CH2 4.13Å; L206-W630 HydrophobicContact CD2-CZ3 4.11Å; L206-L631 HydrophobicContact CD2-CD1 3.75Å |
| 207 | S | 90.8 | Very high | 92.9 | Very high | 50 Ų | 50 | 41.6 Ų | 41.6 | 35% | 0.35 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 134.3 | -169.5 | -168.1 | 0 | 0 | 0 | 0 | 113.1 | S202 R556 | S202-S207 PolarHBondContact O-N 3.34Å; S207-R556 PolarHBondContact OG-NH2 3.01Å |
| 208 | T | 88.6 | Confident | 92.9 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 151.4 | 163.7 | -165.9 | 0 | 0 | 0 | 0 | 111.1 | L206 H549 M551 V552 N553 | L206-T208 PolarHBondContact O-N 3.16Å; T208-H549 VanDerWaalsContact OG1-CB 3.26Å; T208-H549 WeakPolarHBondContact OG1-CB 3.44Å; T208-H549 PolarHBondContact OG1-CD2 3.29Å; T208-M551 VanDerWaalsContact CG2-C 3.44Å; T208-M551 WeakPolarHBondContact CG2-O 3.17Å; T208-M551 PolarHBondContact N-O 2.91Å; T208-V552 HydrophobicContact CG2-CB 4.44Å; T208-V552 HydrophobicContact CG2-CG1 4.04Å; T208-N553 PolarHBondContact O-OD1 3.19Å |
| 209 | T | 86.4 | Confident | 92.9 | Very high | 82 Ų | 82 | 44.5 Ų | 44.5 | 50% | 0.503 | 27% | 0.269 | S | S | . | . | trans | -86.2 | 156.9 | 170.5 | 65.6 | 0 | 0 | 0 | 0 | 110.2 | A211 G212 | T209-A211 PolarHBondContact O-N 2.77Å; T209-G212 WeakPolarHBondContact O-CA 3.36Å; T209-G212 PolarHBondContact O-N 3.43Å; T209-G212 PolarHBondContact OG1-N 2.94Å | ||
| 210 | D | 84 | Confident | 93 | Very high | 83 Ų | 83 | 44.5 Ų | 44.5 | 44% | 0.444 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -61.8 | -31.3 | 177.3 | -63.6 | -10.7 | 0 | 0 | 0 | 111.6 | G212 V213 P494 | D210-G212 VanDerWaalsContact C-N 3.3Å; D210-G212 PolarHBondContact O-N 3.05Å; D210-V213 WeakPolarHBondContact O-CB 3.48Å; D210-V213 WeakPolarHBondContact O-CG2 3.5Å; D210-V213 PolarHBondContact O-N 3.12Å; D210-P494 HydrophobicContact CB-CB 4.42Å; D210-P494 HydrophobicContact CB-CG 4.49Å |
| 211 | A | 84.5 | Confident | 93 | Very high | 103 Ų | 103 | 41 Ų | 41 | 85% | 0.851 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -71.1 | -22.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | T209 V213 | T209-A211 PolarHBondContact O-N 2.77Å; A211-V213 VanDerWaalsContact C-N 3.3Å |
| 212 | G | 83.8 | Confident | 93 | Very high | 16 Ų | 16 | 41.1 Ų | 41.1 | 17% | 0.165 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -85.7 | 3.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | T209 D210 V214 | T209-G212 WeakPolarHBondContact O-CA 3.36Å; T209-G212 PolarHBondContact O-N 3.43Å; T209-G212 PolarHBondContact OG1-N 2.94Å; D210-G212 VanDerWaalsContact C-N 3.3Å; D210-G212 PolarHBondContact O-N 3.05Å; G212-V214 PolarHBondContact O-N 3.05Å |
| 213 | V | 90.9 | Very high | 93 | Very high | 26 Ų | 26 | 41.6 Ų | 41.6 | 16% | 0.158 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 126.2 | 178 | 172.7 | 0 | 0 | 0 | 0 | 110.3 | D210 A211 P494 K543 V552 | D210-V213 WeakPolarHBondContact O-CB 3.48Å; D210-V213 WeakPolarHBondContact O-CG2 3.5Å; D210-V213 PolarHBondContact O-N 3.12Å; A211-V213 VanDerWaalsContact C-N 3.3Å; V213-P494 HydrophobicContact CG2-CG 4.33Å; V213-K543 HydrophobicContact CG1-CB 4.28Å; V213-K543 HydrophobicContact CG1-CD 4.05Å; V213-K543 HydrophobicContact CG1-CG 3.95Å; V213-K543 HydrophobicContact CG2-CD 4.45Å; V213-V552 HydrophobicContact CG2-CG1 3.49Å; V213-V552 VanDerWaalsContact CG2-CG1 3.49Å |
| 214 | V | 93.9 | Very high | 93.1 | Very high | 64 Ų | 64 | 40.3 Ų | 40.3 | 39% | 0.388 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 128.1 | 173.9 | -177.4 | 0 | 0 | 0 | 0 | 108.8 | G212 L544 T546 | G212-V214 PolarHBondContact O-N 3.05Å; V214-L544 HydrophobicContact CB-CB 4.42Å; V214-L544 HydrophobicContact CG1-CB 4.25Å; V214-L544 HydrophobicContact CG1-CD2 4.14Å; V214-L544 PolarHBondContact O-N 2.82Å; V214-T546 HydrophobicContact CB-CG2 4.29Å; V214-T546 HydrophobicContact CG2-CG2 4.13Å |
| 215 | N | 95.7 | Very high | 93.2 | Very high | 82 Ų | 82 | 37.4 Ų | 37.4 | 44% | 0.439 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 142.6 | 174 | -73.7 | -25.7 | 0 | 0 | 0 | 110.9 | Q493 P541 | N215-Q493 PolarHBondContact OD1-NE2 3.15Å; N215-P541 HydrophobicContact CB-CB 4.04Å; N215-P541 HydrophobicContact CB-CG 3.78Å |
| 216 | D | 96 | Very high | 93.3 | Very high | 6 Ų | 6 | 36.9 Ų | 36.9 | 3% | 0.032 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 130.7 | 167.9 | -160.4 | -47.6 | 0 | 0 | 0 | 109.8 | E218 Y219 P541 A542 L544 R643 | D216-E218 PolarHBondContact OD1-N 3.35Å; D216-Y219 PolarHBondContact OD1-N 3.11Å; D216-P541 WeakPolarHBondContact O-CB 3.42Å; D216-A542 HydrophobicContact CB-CB 4.12Å; D216-A542 WeakPolarHBondContact CB-O 3.35Å; D216-A542 PolarHBondContact N-O 3.35Å; D216-L544 HydrophobicContact CB-CB 4.41Å; D216-R643 IonicContact OD1-CZ 2.78Å; D216-R643 IonicContact OD1-NE 3.01Å; D216-R643 IonicContact OD1-NH2 3.37Å; D216-R643 PolarHBondContact OD1-NH2 3.36Å; D216-R643 IonicContact OD2-CZ 3.48Å; D216-R643 IonicContact OD2-NE 3.51Å; D216-R643 PolarHBondContact OD2-NE 2.89Å; D216-R643 IonicContact OD2-NH2 3.39Å; D216-R643 PolarHBondContact OD2-NH2 3.33Å |
| 217 | T | 96 | Very high | 93.4 | Very high | 117 Ų | 117 | 37 Ų | 37 | 72% | 0.718 | 23% | 0.227 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | -6.4 | -178.7 | 54.1 | 0 | 0 | 0 | 0 | 113.1 | V706 | T217-V706 VanDerWaalsContact O-CG2 3.25Å; T217-V706 WeakPolarHBondContact O-CG2 3.45Å |
| 218 | E | 95.6 | Very high | 93.7 | Very high | 93 Ų | 93 | 36.1 Ų | 36.1 | 44% | 0.435 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | -36.9 | -176.9 | -55 | 173.7 | 171 | 0 | 0 | 111.5 | D216 R643 S705 V706 | D216-E218 PolarHBondContact OD1-N 3.35Å; E218-R643 IonicContact OE2-CZ 3.42Å; E218-R643 IonicContact OE2-NH1 2.8Å; E218-R643 PolarHBondContact OE2-NH1 3.28Å; E218-R643 IonicContact OE2-NH2 3.92Å; E218-R643 PolarHBondContact OE2-NH2 2.78Å; E218-S705 CarbonylContact O-C 3.53Å; E218-S705 WeakPolarHBondContact O-CA 3.46Å; E218-V706 PolarHBondContact O-N 3.19Å |
| 219 | Y | 96.7 | Very high | 94.1 | Very high | 18 Ų | 18 | 36 Ų | 36 | 7% | 0.071 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 134.4 | -170.7 | -57.2 | -38.9 | 0 | 0 | 0 | 114.6 | D216 V223 H451 A542 G641 R643 F704 V706 | D216-Y219 PolarHBondContact OD1-N 3.11Å; Y219-V223 HydrophobicContact CG-CG2 4.41Å; Y219-H451 HydrophobicContact CD1-CB 4.21Å; Y219-H451 AromaticContact CD1-CG 3.93Å; Y219-H451 AromaticContact CD1-ND1 3.83Å; Y219-H451 HydrophobicContact CD2-CB 4.23Å; Y219-H451 HydrophobicContact CE1-CB 3.83Å; Y219-H451 AromaticContact CE1-CE1 3.64Å; Y219-H451 AromaticContact CE1-CG 3.48Å; Y219-H451 VanDerWaalsContact CE1-CG 3.48Å; Y219-H451 AromaticContact CE1-ND1 3.01Å; Y219-H451 WeakPolarHBondContact CE1-ND1 3.44Å; Y219-H451 HydrophobicContact CE2-CB 3.76Å; Y219-H451 HydrophobicContact CG-CB 4.45Å; Y219-H451 AromaticContact CZ-CG 3.71Å; Y219-H451 AromaticContact CZ-ND1 3.35Å; Y219-H451 PolarHBondContact OH-ND1 2.93Å; Y219-A542 PolarHBondContact O-N 2.87Å; Y219-G641 PolarHBondContact OH-O 3.44Å; Y219-R643 HydrophobicContact CD2-CG 3.66Å; Y219-R643 VanDerWaalsContact CD2-NH2 3.28Å; Y219-R643 HydrophobicContact CE2-CG 3.7Å; Y219-R643 VanDerWaalsContact CE2-NH1 3.26Å; Y219-R643 VanDerWaalsContact CE2-NH2 3.33Å; Y219-F704 CarbonylContact C-O 3.58Å; Y219-F704 WeakPolarHBondContact CA-O 3.39Å; Y219-V706 VanDerWaalsContact C-CG1 3.48Å; Y219-V706 WeakPolarHBondContact O-CG1 3.34Å |
| 220 | A | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 159.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | M222 V223 S540 F704 | A220-M222 PolarHBondContact O-N 3.37Å; A220-M222 VanDerWaalsContact O-N 3.08Å; A220-V223 WeakPolarHBondContact O-CB 3.33Å; A220-V223 PolarHBondContact O-N 3.14Å; A220-S540 CarbonylContact C-O 3.49Å; A220-S540 WeakPolarHBondContact CA-O 3.41Å; A220-F704 PolarHBondContact N-O 3.2Å |
| 221 | H | 97.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -22.7 | -178.6 | -163.1 | -174.6 | 0 | 0 | 0 | 112.7 | V223 T224 F225 L495 F497 L537 S540 | H221-V223 PolarHBondContact O-N 3.35Å; H221-T224 WeakPolarHBondContact O-CB 3.36Å; H221-T224 PolarHBondContact O-N 3.38Å; H221-T224 VanDerWaalsContact O-N 3.1Å; H221-F225 AromaticContact CD2-CE2 3.95Å; H221-F225 AromaticContact CE1-CE2 3.63Å; H221-F225 AromaticContact NE2-CD2 3.95Å; H221-F225 AromaticContact NE2-CE2 3.41Å; H221-F225 WeakPolarHBondContact NE2-CE2 3.37Å; H221-F225 PolarHBondContact O-N 3.18Å; H221-L495 PolarHBondContact CE1-O 3.08Å; H221-F497 AromaticContact CE1-CD2 3.96Å; H221-F497 AromaticContact CE1-CE2 4Å; H221-F497 AromaticContact ND1-CD2 3.35Å; H221-F497 VanDerWaalsContact ND1-CD2 3.35Å; H221-F497 WeakPolarHBondContact ND1-CD2 3.44Å; H221-F497 AromaticContact ND1-CE2 3.62Å; H221-L537 CarbonylContact C-O 3.59Å; H221-L537 PolarHBondContact N-O 3.13Å; H221-S540 WeakPolarHBondContact CB-O 3.49Å; H221-S540 PolarHBondContact N-O 2.87Å |
| 222 | M | 97.9 | Very high | 96 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -52.2 | -36 | 170.2 | -176.5 | 58.1 | 79.8 | 0 | 0 | 112.4 | A220 T224 F225 F226 I401 L537 I538 L686 I690 A703 F704 | A220-M222 PolarHBondContact O-N 3.37Å; A220-M222 VanDerWaalsContact O-N 3.08Å; M222-T224 VanDerWaalsContact C-N 3.3Å; M222-T224 PolarHBondContact O-N 2.99Å; M222-F225 PolarHBondContact O-N 3.32Å; M222-F226 WeakPolarHBondContact O-CB 2.96Å; M222-F226 PolarHBondContact O-N 3.28Å; M222-F226 HydrophobicContact SD-CB 4.48Å; M222-I401 HydrophobicContact SD-CD1 4.32Å; M222-L537 HydrophobicContact CB-CB 4.33Å; M222-L537 HydrophobicContact CE-CB 3.74Å; M222-L537 HydrophobicContact CE-CD1 3.91Å; M222-L537 HydrophobicContact CE-CG 4.5Å; M222-L537 PolarHBondContact N-O 3.21Å; M222-L537 HydrophobicContact SD-CB 4.42Å; M222-L537 HydrophobicContact SD-CD1 4.28Å; M222-I538 HydrophobicContact CB-CG2 4.37Å; M222-I538 HydrophobicContact CE-CG2 3.67Å; M222-L686 HydrophobicContact CE-CD2 4.23Å; M222-L686 HydrophobicContact CG-CD2 4.1Å; M222-L686 HydrophobicContact SD-CD2 4.07Å; M222-I690 HydrophobicContact CE-CD1 4.36Å; M222-A703 VanDerWaalsContact CB-O 3.27Å; M222-A703 WeakPolarHBondContact CB-O 3.22Å; M222-F704 HydrophobicContact CB-CD1 4.39Å; M222-F704 HydrophobicContact CG-CD1 3.82Å; M222-F704 HydrophobicContact CG-CE1 3.74Å |
| 223 | V | 96.9 | Very high | 96.7 | Very high | 11 Ų | 11 | 24 Ų | 24 | 7% | 0.067 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.3 | -42.4 | 177.6 | 170.9 | 0 | 0 | 0 | 0 | 111.5 | Y219 A220 H221 G227 Y448 I452 F704 | Y219-V223 HydrophobicContact CG-CG2 4.41Å; A220-V223 WeakPolarHBondContact O-CB 3.33Å; A220-V223 PolarHBondContact O-N 3.14Å; H221-V223 PolarHBondContact O-N 3.35Å; V223-G227 PolarHBondContact O-N 2.79Å; V223-Y448 HydrophobicContact CG1-CE2 4.02Å; V223-Y448 WeakPolarHBondContact O-CE2 3.34Å; V223-I452 HydrophobicContact CG1-CD1 3.77Å; V223-F704 HydrophobicContact CG2-CB 3.63Å; V223-F704 HydrophobicContact CG2-CD1 3.85Å; V223-F704 HydrophobicContact CG2-CG 4.19Å; V223-F704 VanDerWaalsContact CG2-O 3.31Å; V223-F704 WeakPolarHBondContact CG2-O 3.34Å |
| 224 | T | 95.9 | Very high | 97.1 | Very high | 7 Ų | 7 | 22.8 Ų | 22.8 | 4% | 0.043 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.2 | -50.5 | 179.5 | -54.8 | 0 | 0 | 0 | 0 | 111.6 | H221 M222 G227 Q228 A491 I492 | H221-T224 WeakPolarHBondContact O-CB 3.36Å; H221-T224 PolarHBondContact O-N 3.38Å; H221-T224 VanDerWaalsContact O-N 3.1Å; M222-T224 VanDerWaalsContact C-N 3.3Å; M222-T224 PolarHBondContact O-N 2.99Å; T224-G227 PolarHBondContact O-N 3.08Å; T224-Q228 PolarHBondContact O-N 3.47Å; T224-A491 HydrophobicContact CG2-CB 4.19Å; T224-A491 WeakPolarHBondContact CG2-O 3.5Å; T224-A491 PolarHBondContact OG1-O 3.33Å; T224-I492 HydrophobicContact CG2-CG1 3.97Å |
| 225 | F | 97 | Very high | 97.2 | Very high | 9 Ų | 9 | 20 Ų | 20 | 4% | 0.039 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -76.4 | -26.3 | -176.8 | -77.9 | -74.5 | 0 | 0 | 0 | 113.3 | H221 M222 G227 Q228 W229 N395 A397 I401 L537 | H221-F225 AromaticContact CD2-CE2 3.95Å; H221-F225 AromaticContact CE1-CE2 3.63Å; H221-F225 AromaticContact NE2-CD2 3.95Å; H221-F225 AromaticContact NE2-CE2 3.41Å; H221-F225 WeakPolarHBondContact NE2-CE2 3.37Å; H221-F225 PolarHBondContact O-N 3.18Å; M222-F225 PolarHBondContact O-N 3.32Å; F225-G227 VanDerWaalsContact C-N 3.31Å; F225-Q228 PolarHBondContact O-N 2.8Å; F225-W229 WeakPolarHBondContact O-CB 3.22Å; F225-W229 PolarHBondContact O-N 2.98Å; F225-N395 WeakPolarHBondContact CE1-OD1 3.47Å; F225-A397 HydrophobicContact CD1-CB 3.89Å; F225-A397 HydrophobicContact CD2-CB 4.09Å; F225-A397 HydrophobicContact CE1-CB 3.73Å; F225-A397 HydrophobicContact CE2-CB 3.87Å; F225-A397 HydrophobicContact CG-CB 4.07Å; F225-A397 HydrophobicContact CZ-CB 3.7Å; F225-I401 HydrophobicContact CB-CD1 3.9Å; F225-L537 HydrophobicContact CB-CD2 4.36Å; F225-L537 HydrophobicContact CD2-CD2 3.35Å; F225-L537 HydrophobicContact CE2-CD2 3.89Å; F225-L537 HydrophobicContact CG-CD2 4.08Å |
| 226 | F | 97.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 17 Ų | 17 | 0% | 0.004 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -72.9 | -28.8 | 171.1 | -153.8 | -104.1 | 0 | 0 | 0 | 111.4 | M222 W229 N230 F405 F443 V444 Y448 L686 F704 | M222-F226 WeakPolarHBondContact O-CB 2.96Å; M222-F226 PolarHBondContact O-N 3.28Å; M222-F226 HydrophobicContact SD-CB 4.48Å; F226-W229 HydrophobicContact CD2-CB 4.45Å; F226-W229 AromaticContact CD2-CD1 4Å; F226-W229 HydrophobicContact CD2-CG 4.43Å; F226-W229 AromaticContact CE2-CD1 3.7Å; F226-W229 HydrophobicContact CE2-CG 4.49Å; F226-W229 WeakPolarHBondContact O-CB 2.98Å; F226-W229 PolarHBondContact O-N 2.66Å; F226-N230 VanDerWaalsContact CD1-ND2 3.33Å; F226-N230 WeakPolarHBondContact CD1-ND2 3.35Å; F226-N230 WeakPolarHBondContact O-CB 3.47Å; F226-N230 PolarHBondContact O-N 2.96Å; F226-N230 PolarHBondContact O-ND2 3.05Å; F226-F405 HydrophobicContact CE2-CZ 4.49Å; F226-F443 HydrophobicContact CE1-CB 4.22Å; F226-F443 HydrophobicContact CZ-CB 3.91Å; F226-F443 HydrophobicContact CZ-CD2 4.39Å; F226-V444 HydrophobicContact CE1-CG2 3.93Å; F226-Y448 HydrophobicContact CB-CD2 4.29Å; F226-Y448 HydrophobicContact CB-CE2 4.41Å; F226-Y448 AromaticContact CD1-CD2 3.8Å; F226-Y448 HydrophobicContact CD1-CD2 3.8Å; F226-Y448 HydrophobicContact CD1-CE2 4.47Å; F226-Y448 AromaticContact CD1-CG 3.88Å; F226-Y448 HydrophobicContact CD1-CG 3.88Å; F226-Y448 HydrophobicContact CE1-CG 4.47Å; F226-L686 HydrophobicContact CD2-CD2 4.18Å; F226-L686 HydrophobicContact CE2-CD2 4.1Å; F226-F704 HydrophobicContact CB-CD1 4.49Å; F226-F704 HydrophobicContact CB-CE1 3.62Å; F226-F704 HydrophobicContact CB-CZ 4.44Å; F226-F704 AromaticContact CD1-CE1 3.61Å; F226-F704 HydrophobicContact CD1-CE1 3.61Å; F226-F704 AromaticContact CD1-CZ 3.65Å; F226-F704 HydrophobicContact CD1-CZ 3.65Å; F226-F704 HydrophobicContact CD2-CE1 4.06Å; F226-F704 HydrophobicContact CD2-CZ 4.15Å; F226-F704 HydrophobicContact CE1-CE1 4.27Å; F226-F704 AromaticContact CE1-CZ 3.83Å; F226-F704 HydrophobicContact CE1-CZ 3.83Å; F226-F704 HydrophobicContact CE2-CZ 4.31Å; F226-F704 AromaticContact CG-CE1 3.49Å; F226-F704 HydrophobicContact CG-CE1 3.49Å; F226-F704 VanDerWaalsContact CG-CE1 3.49Å; F226-F704 AromaticContact CG-CZ 3.83Å; F226-F704 HydrophobicContact CG-CZ 3.83Å; F226-F704 HydrophobicContact CZ-CZ 4.17Å |
| 227 | G | 97.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 2% | 0.021 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.4 | -47.3 | 166 | 0 | 0 | 0 | 0 | 0 | 112.6 | V223 T224 F225 N230 D231 Y448 Y485 | V223-G227 PolarHBondContact O-N 2.79Å; T224-G227 PolarHBondContact O-N 3.08Å; F225-G227 VanDerWaalsContact C-N 3.31Å; G227-N230 PolarHBondContact O-N 3.1Å; G227-D231 PolarHBondContact O-N 2.72Å; G227-Y448 WeakPolarHBondContact CA-OH 3.33Å; G227-Y485 WeakPolarHBondContact O-CE1 3.17Å |
| 228 | Q | 97.4 | Very high | 97.2 | Very high | 33 Ų | 33 | 11.6 Ų | 11.6 | 15% | 0.154 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -61.7 | -45.7 | 173 | -177.1 | 176.9 | 33.9 | 0 | 0 | 111.9 | T224 F225 N230 D231 H232 E394 N395 L398 | T224-Q228 PolarHBondContact O-N 3.47Å; F225-Q228 PolarHBondContact O-N 2.8Å; Q228-N230 PolarHBondContact O-N 2.97Å; Q228-D231 WeakPolarHBondContact O-CB 3.39Å; Q228-D231 PolarHBondContact O-N 2.04Å; Q228-H232 PolarHBondContact O-CD2 2.96Å; Q228-H232 PolarHBondContact O-N 3.18Å; Q228-E394 VanDerWaalsContact NE2-CD 3.28Å; Q228-E394 PolarHBondContact NE2-OE1 3.42Å; Q228-E394 PolarHBondContact NE2-OE2 2.84Å; Q228-N395 PolarHBondContact OE1-ND2 3.12Å; Q228-N395 VanDerWaalsContact OE1-ND2 3.11Å; Q228-L398 HydrophobicContact CG-CD2 4.41Å |
| 229 | W | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -52.4 | -54.7 | 175.4 | 176.7 | -107.4 | 0 | 0 | 0 | 110.6 | F225 F226 D231 H232 D233 L319 Q321 V322 L398 I401 H402 F405 | F225-W229 WeakPolarHBondContact O-CB 3.22Å; F225-W229 PolarHBondContact O-N 2.98Å; F226-W229 HydrophobicContact CD2-CB 4.45Å; F226-W229 AromaticContact CD2-CD1 4Å; F226-W229 HydrophobicContact CD2-CG 4.43Å; F226-W229 AromaticContact CE2-CD1 3.7Å; F226-W229 HydrophobicContact CE2-CG 4.49Å; F226-W229 WeakPolarHBondContact O-CB 2.98Å; F226-W229 PolarHBondContact O-N 2.66Å; W229-D231 VanDerWaalsContact C-N 3.34Å; W229-D231 PolarHBondContact O-N 2.85Å; W229-H232 PolarHBondContact O-N 2.75Å; W229-H232 VanDerWaalsContact O-N 3.07Å; W229-D233 PolarHBondContact O-N 2.98Å; W229-L319 HydrophobicContact CZ2-CD2 3.55Å; W229-Q321 HydrophobicContact CE3-CB 4.29Å; W229-Q321 HydrophobicContact CE3-CG 4.27Å; W229-Q321 HydrophobicContact CH2-CB 3.87Å; W229-Q321 HydrophobicContact CZ2-CB 4.48Å; W229-Q321 HydrophobicContact CZ3-CB 3.74Å; W229-Q321 HydrophobicContact CZ3-CG 4.22Å; W229-Q321 PolarHBondContact O-NE2 2.74Å; W229-V322 HydrophobicContact CH2-CG2 3.77Å; W229-V322 HydrophobicContact CZ2-CG2 4.17Å; W229-L398 HydrophobicContact CE3-CD1 4.15Å; W229-I401 HydrophobicContact CD2-CG2 3.67Å; W229-I401 HydrophobicContact CE3-CB 4.34Å; W229-I401 HydrophobicContact CE3-CG2 3.58Å; W229-I401 HydrophobicContact CG-CG2 4.17Å; W229-I401 HydrophobicContact CH2-CG2 4.27Å; W229-I401 HydrophobicContact CZ2-CG2 4.35Å; W229-I401 HydrophobicContact CZ3-CG2 3.91Å; W229-H402 HydrophobicContact CZ3-CB 4.37Å; W229-H402 AromaticContact CZ3-CD2 3.63Å; W229-H402 AromaticContact CZ3-CE1 3.89Å; W229-H402 AromaticContact CZ3-CG 3.65Å; W229-H402 AromaticContact CZ3-ND1 3.8Å; W229-H402 AromaticContact CZ3-NE2 3.78Å; W229-F405 HydrophobicContact CH2-CB 4.14Å; W229-F405 AromaticContact CH2-CD2 3.91Å; W229-F405 HydrophobicContact CH2-CD2 3.91Å; W229-F405 HydrophobicContact CH2-CG 4.16Å; W229-F405 HydrophobicContact CZ2-CB 4.15Å; W229-F405 HydrophobicContact CZ2-CD1 4.29Å; W229-F405 AromaticContact CZ2-CD2 3.46Å; W229-F405 HydrophobicContact CZ2-CD2 3.46Å; W229-F405 VanDerWaalsContact CZ2-CD2 3.46Å; W229-F405 AromaticContact CZ2-CE2 3.88Å; W229-F405 HydrophobicContact CZ2-CE2 3.88Å; W229-F405 AromaticContact CZ2-CG 3.71Å; W229-F405 HydrophobicContact CZ2-CG 3.71Å; W229-F405 HydrophobicContact CZ2-CZ 4.46Å |
| 230 | N | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -62.2 | -37.5 | 179.6 | -65.4 | -24.2 | 0 | 0 | 0 | 112.9 | F226 G227 Q228 H232 D233 L234 V444 Y448 Y485 | F226-N230 VanDerWaalsContact CD1-ND2 3.33Å; F226-N230 WeakPolarHBondContact CD1-ND2 3.35Å; F226-N230 WeakPolarHBondContact O-CB 3.47Å; F226-N230 PolarHBondContact O-N 2.96Å; F226-N230 PolarHBondContact O-ND2 3.05Å; G227-N230 PolarHBondContact O-N 3.1Å; Q228-N230 PolarHBondContact O-N 2.97Å; N230-H232 PolarHBondContact O-N 3.35Å; N230-D233 PolarHBondContact O-N 2.68Å; N230-L234 WeakPolarHBondContact O-CG 3.44Å; N230-L234 PolarHBondContact O-N 3.06Å; N230-V444 VanDerWaalsContact OD1-CG2 3.25Å; N230-V444 WeakPolarHBondContact OD1-CG2 3.44Å; N230-Y448 WeakPolarHBondContact ND2-CD1 3.24Å; N230-Y448 WeakPolarHBondContact ND2-CE1 3.46Å; N230-Y485 HydrophobicContact CB-CE1 4.03Å; N230-Y485 WeakPolarHBondContact CB-OH 3.29Å |
| 231 | D | 98.3 | Very high | 95.8 | Very high | 26 Ų | 26 | 7.1 Ų | 7.1 | 14% | 0.139 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -59.8 | -40.8 | 175.4 | -179.9 | -98 | 0 | 0 | 0 | 110.5 | G227 Q228 W229 D233 L234 S235 R391 Y485 | G227-D231 PolarHBondContact O-N 2.72Å; Q228-D231 WeakPolarHBondContact O-CB 3.39Å; Q228-D231 PolarHBondContact O-N 2.04Å; W229-D231 VanDerWaalsContact C-N 3.34Å; W229-D231 PolarHBondContact O-N 2.85Å; D231-D233 PolarHBondContact O-N 2.85Å; D231-L234 PolarHBondContact O-N 3.24Å; D231-S235 PolarHBondContact O-N 3.17Å; D231-S235 PolarHBondContact OD2-OG 2.86Å; D231-R391 IonicContact OD1-NH1 2.75Å; D231-R391 PolarHBondContact OD1-NH1 3.08Å; D231-Y485 HydrophobicContact CB-CD1 3.73Å; D231-Y485 HydrophobicContact CB-CE1 3.9Å |
| 232 | H | 98.1 | Very high | 95.2 | Very high | 6 Ų | 6 | 7 Ų | 7 | 3% | 0.028 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -74.8 | -10.7 | -178.6 | -67.9 | -157.8 | 0 | 0 | 0 | 113.4 | Q228 W229 N230 L313 Q321 D389 R391 E394 | Q228-H232 PolarHBondContact O-CD2 2.96Å; Q228-H232 PolarHBondContact O-N 3.18Å; W229-H232 PolarHBondContact O-N 2.75Å; W229-H232 VanDerWaalsContact O-N 3.07Å; N230-H232 PolarHBondContact O-N 3.35Å; H232-L313 WeakPolarHBondContact O-CD1 3.31Å; H232-Q321 VanDerWaalsContact C-CG 3.49Å; H232-Q321 HydrophobicContact CB-CG 3.82Å; H232-Q321 WeakPolarHBondContact O-CG 3.31Å; H232-D389 IonicContact ND1-OD1 3.38Å; H232-R391 PolarHBondContact CD2-NH1 2.87Å; H232-R391 VanDerWaalsContact CG-CZ 3.44Å; H232-R391 PolarHBondContact NE2-NH1 3.46Å; H232-E394 IonicContact CE1-OE2 2.85Å; H232-E394 PolarHBondContact CE1-OE2 3.28Å; H232-E394 IonicContact NE2-OE2 3.27Å |
| 233 | D | 98.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -79.2 | -44.2 | 166.3 | -139.9 | -11.5 | 0 | 0 | 0 | 109.9 | W229 N230 D231 L317 D318 L319 G320 Q321 | W229-D233 PolarHBondContact O-N 2.98Å; N230-D233 PolarHBondContact O-N 2.68Å; D231-D233 PolarHBondContact O-N 2.85Å; D233-L317 HydrophobicContact CB-CD2 4.48Å; D233-L317 WeakPolarHBondContact OD2-CA 3.38Å; D233-D318 PolarHBondContact OD2-N 3.5Å; D233-L319 WeakPolarHBondContact OD1-CA 3.38Å; D233-L319 PolarHBondContact OD1-N 3.08Å; D233-L319 PolarHBondContact OD2-N 3.12Å; D233-L319 VanDerWaalsContact OD2-N 3.11Å; D233-G320 PolarHBondContact OD1-N 3.4Å; D233-Q321 VanDerWaalsContact CA-CD 3.44Å; D233-Q321 VanDerWaalsContact CA-NE2 3.32Å; D233-Q321 PolarHBondContact OD1-OE1 3.44Å; D233-Q321 VanDerWaalsContact OD1-OE1 3.05Å |
| 234 | L | 98.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -91.6 | -34 | -162.1 | -61.6 | 173.9 | 0 | 0 | 0 | 112.5 | N230 D231 N311 A315 L317 I476 F480 F656 I659 | N230-L234 WeakPolarHBondContact O-CG 3.44Å; N230-L234 PolarHBondContact O-N 3.06Å; D231-L234 PolarHBondContact O-N 3.24Å; L234-N311 PolarHBondContact O-ND2 2.95Å; L234-A315 WeakPolarHBondContact CD2-O 3.36Å; L234-L317 HydrophobicContact CD1-CD2 4.25Å; L234-L317 HydrophobicContact CD2-CD2 3.87Å; L234-L317 HydrophobicContact CD2-CG 4.23Å; L234-L317 HydrophobicContact CG-CD2 4.14Å; L234-I476 HydrophobicContact CB-CD1 4.09Å; L234-I476 HydrophobicContact CB-CG1 4.28Å; L234-I476 HydrophobicContact CD2-CD1 4.27Å; L234-I476 VanDerWaalsContact O-CG1 3.28Å; L234-I476 WeakPolarHBondContact O-CG1 3.33Å; L234-F480 HydrophobicContact CD1-CE1 4.1Å; L234-F480 HydrophobicContact CD1-CZ 4.12Å; L234-F656 HydrophobicContact CD1-CE1 3.98Å; L234-F656 HydrophobicContact CD1-CZ 3.84Å; L234-I659 HydrophobicContact CD1-CD1 4.27Å; L234-I659 HydrophobicContact CD2-CD1 3.8Å |
| 235 | S | 97.3 | Very high | 93.3 | Very high | 5 Ų | 5 | 10.8 Ų | 10.8 | 4% | 0.035 | 5% | 0.049 | C | C | . | . | trans | -145.9 | 136.4 | -171.2 | 82 | 0 | 0 | 0 | 0 | 115.7 | D231 N311 R391 | D231-S235 PolarHBondContact O-N 3.17Å; D231-S235 PolarHBondContact OD2-OG 2.86Å; S235-N311 WeakPolarHBondContact CA-OD1 3.44Å; S235-R391 PolarHBondContact O-NH1 3Å; S235-R391 PolarHBondContact O-NH2 3.27Å | ||
| 236 | F | 97.1 | Very high | 92.5 | Very high | 20 Ų | 20 | 10.8 Ų | 10.8 | 9% | 0.088 | 5% | 0.05 | C | C | . | . | trans | -148.9 | 115.9 | 165.9 | -174.6 | -126.3 | 0 | 0 | 0 | 109.8 | L70 K71 P238 N311 S312 L313 R391 | L70-F236 VanDerWaalsContact O-CZ 3.25Å; L70-F236 WeakPolarHBondContact O-CZ 3.22Å; K71-F236 HydrophobicContact CD-CE2 3.69Å; K71-F236 HydrophobicContact CD-CZ 4.2Å; F236-P238 HydrophobicContact CE1-CB 4.38Å; F236-P238 WeakPolarHBondContact O-CD 3.33Å; F236-N311 PolarHBondContact N-OD1 3.41Å; F236-N311 PolarHBondContact O-OD1 3.06Å; F236-S312 WeakPolarHBondContact CD1-OG 3.4Å; F236-S312 PolarHBondContact O-N 3.39Å; F236-S312 PolarHBondContact O-OG 3.22Å; F236-L313 HydrophobicContact CB-CD1 3.79Å; F236-L313 HydrophobicContact CB-CD2 4.07Å; F236-L313 HydrophobicContact CB-CG 3.56Å; F236-R391 VanDerWaalsContact CD2-CZ 3.46Å; F236-R391 HydrophobicContact CE2-CG 4.17Å | ||
| 237 | T | 96.1 | Very high | 91.6 | Very high | 10 Ų | 10 | 14.1 Ų | 14.1 | 6% | 0.061 | 7% | 0.073 | C | C | . | . | trans | -99.9 | 108.2 | 172.3 | -44.4 | 0 | 0 | 0 | 0 | 109.4 | F166 S287 Q309 | F166-T237 HydrophobicContact CE2-CG2 4.25Å; F166-T237 WeakPolarHBondContact CE2-OG1 3.39Å; F166-T237 VanDerWaalsContact CZ-OG1 3.24Å; F166-T237 WeakPolarHBondContact CZ-OG1 3.5Å; T237-S287 VanDerWaalsContact CG2-CB 3.5Å; T237-S287 WeakPolarHBondContact CG2-OG 3.24Å; T237-Q309 HydrophobicContact CG2-CB 4.09Å | ||
| 238 | P | 93.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | P | Polyproline II helix | trans | -70.3 | 158.2 | 172.9 | 29.3 | -33 | 0 | 0 | 0 | 111.1 | K71 P73 T77 F236 A288 I310 | K71-P238 CarbonylContact O-C 3.56Å; K71-P238 WeakPolarHBondContact O-CA 3.19Å; K71-P238 VanDerWaalsContact O-CB 3.28Å; K71-P238 WeakPolarHBondContact O-CB 3.41Å; P73-P238 HydrophobicContact CB-CB 3.94Å; P73-P238 HydrophobicContact CB-CG 4.25Å; P73-P238 HydrophobicContact CG-CB 4.37Å; T77-P238 HydrophobicContact CG2-CG 3.99Å; F236-P238 HydrophobicContact CE1-CB 4.38Å; F236-P238 WeakPolarHBondContact O-CD 3.33Å; P238-A288 HydrophobicContact CG-CB 4.09Å; P238-A288 PolarHBondContact O-N 2.93Å; P238-I310 HydrophobicContact CG-CG2 3.69Å |
| 239 | F | 90.4 | Very high | 90.1 | Very high | 10 Ų | 10 | 18 Ų | 18 | 4% | 0.044 | 10% | 0.1 | C | C | . | . | B | Isolated β-bridge | trans | -79.5 | 164.8 | 168.4 | -65.2 | -11.1 | 0 | 0 | 0 | 110.7 | L67 K71 F285 R577 | L67-F239 HydrophobicContact CD1-CZ 4.36Å; L67-F239 HydrophobicContact CD2-CE2 4.2Å; L67-F239 HydrophobicContact CD2-CZ 4.24Å; L67-F239 HydrophobicContact CG-CE2 3.93Å; L67-F239 HydrophobicContact CG-CZ 4.16Å; K71-F239 HydrophobicContact CB-CB 4.29Å; K71-F239 HydrophobicContact CB-CD1 3.86Å; K71-F239 HydrophobicContact CB-CD2 3.61Å; K71-F239 HydrophobicContact CB-CE1 4Å; K71-F239 HydrophobicContact CB-CE2 3.8Å; K71-F239 HydrophobicContact CB-CG 3.64Å; K71-F239 HydrophobicContact CB-CZ 3.99Å; K71-F239 HydrophobicContact CD-CE1 4.1Å; K71-F239 HydrophobicContact CD-CZ 4.35Å; K71-F239 HydrophobicContact CG-CD1 4.23Å; K71-F239 HydrophobicContact CG-CD2 4.24Å; K71-F239 HydrophobicContact CG-CE1 3.86Å; K71-F239 HydrophobicContact CG-CE2 3.9Å; K71-F239 HydrophobicContact CG-CG 4.4Å; K71-F239 HydrophobicContact CG-CZ 3.7Å; K71-F239 PolarHBondContact O-N 3.46Å; F239-F285 HydrophobicContact CB-CB 4.16Å; F239-F285 HydrophobicContact CD2-CB 3.82Å; F239-F285 HydrophobicContact CD2-CD2 4.16Å; F239-F285 HydrophobicContact CD2-CG 4.28Å; F239-F285 HydrophobicContact CE2-CB 4.4Å; F239-F285 HydrophobicContact CE2-CD2 4.33Å; F239-F285 HydrophobicContact CG-CB 4.02Å; F239-R577 VanDerWaalsContact CE1-CZ 3.48Å; F239-R577 VanDerWaalsContact CZ-NH2 3.34Å |
| 240 | S | 85.6 | Confident | 89.6 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | P | Polyproline II helix | trans | -51.8 | 135.4 | 161.9 | -177.5 | 0 | 0 | 0 | 0 | 109.4 | S242 P261 R286 | S240-S242 PolarHBondContact O-N 3.13Å; S240-P261 VanDerWaalsContact CB-CB 3.45Å; S240-R286 PolarHBondContact N-O 3.44Å |
| 241 | P | 84.8 | Confident | 89 | Confident | 6 Ų | 6 | 19.7 Ų | 19.7 | 4% | 0.039 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -66.9 | -18.3 | -179.8 | -25.3 | 36.9 | 0 | 0 | 0 | 113.7 | Y45 S48 P73 V81 | Y45-P241 HydrophobicContact CD1-CB 4.03Å; Y45-P241 HydrophobicContact CD2-CB 3.84Å; Y45-P241 HydrophobicContact CD2-CG 4.28Å; Y45-P241 HydrophobicContact CE1-CB 3.76Å; Y45-P241 HydrophobicContact CE1-CG 4Å; Y45-P241 HydrophobicContact CE2-CB 3.58Å; Y45-P241 HydrophobicContact CE2-CG 3.52Å; Y45-P241 HydrophobicContact CG-CB 4.08Å; Y45-P241 WeakPolarHBondContact OH-CD 3.37Å; Y45-P241 WeakPolarHBondContact OH-CG 3.38Å; S48-P241 VanDerWaalsContact CB-O 3.3Å; S48-P241 WeakPolarHBondContact CB-O 3.39Å; P73-P241 HydrophobicContact CG-CB 4.39Å; P73-P241 HydrophobicContact CG-CG 3.5Å; P73-P241 VanDerWaalsContact CG-CG 3.5Å; V81-P241 HydrophobicContact CG1-CG 3.9Å |
| 242 | S | 84.9 | Confident | 88.2 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | -88 | 132.7 | -177.2 | -167.6 | 0 | 0 | 0 | 0 | 112 | S48 S240 R244 F246 P261 | S48-S242 WeakPolarHBondContact OG-CA 3.35Å; S240-S242 PolarHBondContact O-N 3.13Å; S242-R244 WeakPolarHBondContact CB-O 3.45Å; S242-R244 PolarHBondContact OG-N 3.07Å; S242-R244 VanDerWaalsContact OG-N 3.12Å; S242-R244 PolarHBondContact OG-O 3.22Å; S242-F246 VanDerWaalsContact CB-CZ 3.48Å; S242-P261 WeakPolarHBondContact O-CG 3.19Å | ||
| 243 | I | 81.6 | Confident | 87.2 | Confident | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -91.6 | -5.8 | 164.4 | 67.6 | 177.7 | 0 | 0 | 0 | 112.4 | Y47 S48 E51 H68 C252 F285 | Y47-I243 HydrophobicContact CD1-CD1 4.37Å; Y47-I243 HydrophobicContact CD1-CG1 4.19Å; Y47-I243 HydrophobicContact CE1-CD1 3.9Å; Y47-I243 HydrophobicContact CE1-CG1 4Å; S48-I243 PolarHBondContact OG-N 2.85Å; E51-I243 HydrophobicContact CB-CD1 4.04Å; E51-I243 HydrophobicContact CG-CD1 3.73Å; H68-I243 WeakPolarHBondContact CE1-CG2 3.16Å; H68-I243 VanDerWaalsContact NE2-CG2 3.27Å; H68-I243 WeakPolarHBondContact NE2-CG2 3.5Å; I243-C252 PolarHBondContact O-N 3.07Å; I243-C252 PolarHBondContact O-SG 3.25Å; I243-C252 VanDerWaalsContact O-SG 3.37Å; I243-F285 HydrophobicContact CB-CE1 4.16Å; I243-F285 HydrophobicContact CG2-CE1 3.98Å; I243-F285 HydrophobicContact CG2-CZ 4.28Å |
| 244 | R | 85.2 | Confident | 86.4 | Confident | 93 Ų | 93 | 26.4 Ų | 26.4 | 35% | 0.351 | 14% | 0.14 | S | C | . | . | B | Isolated β-bridge | trans | -108.6 | 143.6 | 174.9 | -69.2 | -175.2 | 70 | -170.7 | 3.5 | 110.8 | Y47 S242 F246 G249 L250 | Y47-R244 HydrophobicContact CD1-CG 3.64Å; Y47-R244 HydrophobicContact CE1-CG 3.58Å; S242-R244 WeakPolarHBondContact CB-O 3.45Å; S242-R244 PolarHBondContact OG-N 3.07Å; S242-R244 VanDerWaalsContact OG-N 3.12Å; S242-R244 PolarHBondContact OG-O 3.22Å; R244-F246 PolarHBondContact O-N 3.49Å; R244-G249 PolarHBondContact NE-O 3Å; R244-G249 PolarHBondContact NH2-O 2.78Å; R244-G249 VanDerWaalsContact NH2-O 3.14Å; R244-L250 CarbonylContact C-O 3.58Å; R244-L250 VanDerWaalsContact CA-O 3.29Å; R244-L250 WeakPolarHBondContact CA-O 3.36Å |
| 245 | S | 83.8 | Confident | 85.7 | Confident | 4 Ų | 4 | 27.6 Ų | 27.6 | 3% | 0.028 | 15% | 0.149 | C | C | . | . | trans | -65.2 | 134.5 | 172.1 | 169 | 0 | 0 | 0 | 0 | 111.2 | S247 N248 G249 L250 S259 E260 | S245-S247 PolarHBondContact O-N 3.11Å; S245-S247 PolarHBondContact OG-N 3.41Å; S245-S247 PolarHBondContact OG-OG 2.8Å; S245-N248 WeakPolarHBondContact CB-OD1 3.43Å; S245-N248 PolarHBondContact OG-OD1 3.41Å; S245-G249 VanDerWaalsContact O-CA 3.22Å; S245-G249 WeakPolarHBondContact O-CA 3.49Å; S245-G249 PolarHBondContact O-N 3.33Å; S245-L250 PolarHBondContact N-O 2.8Å; S245-S259 WeakPolarHBondContact CB-OG 3.43Å; S245-S259 PolarHBondContact OG-OG 3.04Å; S245-E260 WeakPolarHBondContact CA-O 3.47Å; S245-E260 WeakPolarHBondContact CB-O 3.44Å; S245-E260 PolarHBondContact OG-O 3.19Å | ||
| 246 | F | 80.2 | Confident | 85.3 | Confident | 10 Ų | 10 | 28.5 Ų | 28.5 | 4% | 0.044 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -20.8 | 177 | -56.5 | -74.7 | 0 | 0 | 0 | 113 | I40 V41 A44 Y45 Q89 S242 R244 E260 | I40-F246 HydrophobicContact CG2-CB 4.34Å; V41-F246 HydrophobicContact CG2-CD1 4.26Å; V41-F246 HydrophobicContact CG2-CE1 4.25Å; A44-F246 HydrophobicContact CB-CD1 4.18Å; A44-F246 HydrophobicContact CB-CE1 4.14Å; Y45-F246 HydrophobicContact CD1-CE1 4.34Å; Y45-F246 AromaticContact CE1-CE1 3.97Å; Y45-F246 HydrophobicContact CE1-CE1 3.97Å; Y45-F246 AromaticContact CE1-CZ 3.97Å; Y45-F246 HydrophobicContact CE1-CZ 3.97Å; Q89-F246 HydrophobicContact CG-CB 4.29Å; Q89-F246 HydrophobicContact CG-CG 4.42Å; S242-F246 VanDerWaalsContact CB-CZ 3.48Å; R244-F246 PolarHBondContact O-N 3.49Å; F246-E260 HydrophobicContact CD2-CG 4.37Å; F246-E260 PolarHBondContact N-O 3.37Å |
| 247 | S | 78.9 | Confident | 84.9 | Confident | 71 Ų | 71 | 33.1 Ų | 33.1 | 50% | 0.497 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -41.3 | -175.5 | 60 | 0 | 0 | 0 | 0 | 113 | S245 | S245-S247 PolarHBondContact O-N 3.11Å; S245-S247 PolarHBondContact OG-N 3.41Å; S245-S247 PolarHBondContact OG-OG 2.8Å |
| 248 | N | 81 | Confident | 84.5 | Confident | 94 Ų | 94 | 35 Ų | 35 | 50% | 0.503 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -130.6 | 4.2 | -173 | 66.6 | -3.8 | 0 | 0 | 0 | 114.1 | S245 L250 S259 | S245-N248 WeakPolarHBondContact CB-OD1 3.43Å; S245-N248 PolarHBondContact OG-OD1 3.41Å; N248-L250 PolarHBondContact O-N 3.1Å; N248-L250 WeakPolarHBondContact OD1-CB 3.38Å; N248-L250 PolarHBondContact OD1-N 3.43Å; N248-S259 PolarHBondContact OD1-OG 3.41Å; N248-S259 VanDerWaalsContact OD1-OG 3.11Å |
| 249 | G | 83 | Confident | 84.3 | Confident | 23 Ų | 23 | 35.4 Ų | 35.4 | 24% | 0.237 | 19% | 0.187 | C | C | . | . | trans | 70.7 | 8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | R244 S245 | R244-G249 PolarHBondContact NE-O 3Å; R244-G249 PolarHBondContact NH2-O 2.78Å; R244-G249 VanDerWaalsContact NH2-O 3.14Å; S245-G249 VanDerWaalsContact O-CA 3.22Å; S245-G249 WeakPolarHBondContact O-CA 3.49Å; S245-G249 PolarHBondContact O-N 3.33Å | ||
| 250 | L | 86.8 | Confident | 84 | Confident | 24 Ų | 24 | 37.1 Ų | 37.1 | 13% | 0.126 | 20% | 0.195 | C | C | . | . | trans | -60.6 | 130.7 | 179.6 | -179.6 | 143.5 | 0 | 0 | 0 | 111.2 | R244 S245 N248 E257 | R244-L250 CarbonylContact C-O 3.58Å; R244-L250 VanDerWaalsContact CA-O 3.29Å; R244-L250 WeakPolarHBondContact CA-O 3.36Å; S245-L250 PolarHBondContact N-O 2.8Å; N248-L250 PolarHBondContact O-N 3.1Å; N248-L250 WeakPolarHBondContact OD1-CB 3.38Å; N248-L250 PolarHBondContact OD1-N 3.43Å; L250-E257 HydrophobicContact CD1-CB 3.79Å; L250-E257 HydrophobicContact CD1-CG 4.27Å; L250-E257 VanDerWaalsContact CD1-OE2 3.29Å; L250-E257 WeakPolarHBondContact CD1-OE2 3.27Å | ||
| 251 | N | 85.3 | Confident | 84.1 | Confident | 11 Ų | 11 | 37.1 Ų | 37.1 | 6% | 0.059 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -84.9 | 119.4 | 178.5 | -174.4 | -13.8 | 0 | 0 | 0 | 110.4 | D253 E254 S255 | N251-D253 PolarHBondContact O-N 3.17Å; N251-D253 VanDerWaalsContact O-N 3.16Å; N251-D253 WeakPolarHBondContact OD1-CB 3.18Å; N251-D253 PolarHBondContact OD1-N 3.19Å; N251-E254 HydrophobicContact CB-CB 4.22Å; N251-E254 HydrophobicContact CB-CG 4.38Å; N251-E254 WeakPolarHBondContact CB-OE2 3.46Å; N251-E254 PolarHBondContact ND2-OE1 2.85Å; N251-E254 PolarHBondContact ND2-OE2 3.07Å; N251-E254 VanDerWaalsContact ND2-OE2 3.12Å; N251-E254 PolarHBondContact O-N 3.06Å; N251-E254 VanDerWaalsContact O-N 3.17Å; N251-S255 PolarHBondContact O-N 3.18Å |
| 252 | C | 82.3 | Confident | 84.4 | Confident | 5 Ų | 5 | 36.9 Ų | 36.9 | 3% | 0.034 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -17.8 | -177.8 | -55.2 | 0 | 0 | 0 | 0 | 113.6 | I243 C262 F285 | I243-C252 PolarHBondContact O-N 3.07Å; I243-C252 PolarHBondContact O-SG 3.25Å; I243-C252 VanDerWaalsContact O-SG 3.37Å; C252-C262 WeakPolarHBondContact CA-SG 3.23Å; C252-C262 HydrophobicContact CB-CB 3.63Å; C252-C262 WeakPolarHBondContact CB-SG 3.42Å; C252-C262 WeakPolarHBondContact SG-CA 3.46Å; C252-C262 WeakPolarHBondContact SG-CB 3.21Å; C252-C262 PolarHBondContact SG-N 2.87Å; C252-C262 VanDerWaalsContact SG-N 3.4Å; C252-C262 CovalentContact SG-SG 2.03Å; C252-C262 PolarHBondContact SG-SG 2.92Å; C252-F285 HydrophobicContact CB-CD1 4.04Å; C252-F285 HydrophobicContact CB-CE1 3.38Å; C252-F285 HydrophobicContact CB-CZ 3.94Å |
| 253 | D | 75.7 | Confident | 84.7 | Confident | 17 Ų | 17 | 37 Ų | 37 | 9% | 0.091 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -19.1 | 178.9 | -66.4 | -47.8 | 0 | 0 | 0 | 113.5 | R55 R64 N251 F285 | R55-D253 IonicContact CZ-OD2 3.65Å; R55-D253 IonicContact NH1-OD2 3.55Å; R55-D253 PolarHBondContact NH1-OD2 3.06Å; R55-D253 IonicContact NH2-OD2 2.72Å; R55-D253 PolarHBondContact NH2-OD2 2.95Å; R55-D253 VanDerWaalsContact NH2-OD2 3.15Å; R64-D253 WeakPolarHBondContact CD-OD1 3.3Å; R64-D253 IonicContact NE-OD1 2.75Å; N251-D253 PolarHBondContact O-N 3.17Å; N251-D253 VanDerWaalsContact O-N 3.16Å; N251-D253 WeakPolarHBondContact OD1-CB 3.18Å; N251-D253 PolarHBondContact OD1-N 3.19Å; D253-F285 WeakPolarHBondContact OD1-CZ 3.38Å |
| 254 | E | 81.5 | Confident | 85.2 | Confident | 151 Ų | 151 | 37.1 Ų | 37.1 | 71% | 0.706 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.4 | -5.3 | -173.1 | -65 | 169.8 | 172.6 | 0 | 0 | 111.9 | N251 | N251-E254 HydrophobicContact CB-CB 4.22Å; N251-E254 HydrophobicContact CB-CG 4.38Å; N251-E254 WeakPolarHBondContact CB-OE2 3.46Å; N251-E254 PolarHBondContact ND2-OE1 2.85Å; N251-E254 PolarHBondContact ND2-OE2 3.07Å; N251-E254 VanDerWaalsContact ND2-OE2 3.12Å; N251-E254 PolarHBondContact O-N 3.06Å; N251-E254 VanDerWaalsContact O-N 3.17Å |
| 255 | S | 85.2 | Confident | 85.6 | Confident | 25 Ų | 25 | 32.7 Ų | 32.7 | 18% | 0.175 | 18% | 0.178 | C | C | . | . | trans | -136.6 | 143.9 | -176.8 | 178.2 | 0 | 0 | 0 | 0 | 112.6 | N251 E257 | N251-S255 PolarHBondContact O-N 3.18Å; S255-E257 WeakPolarHBondContact OG-CB 3.22Å; S255-E257 WeakPolarHBondContact OG-CG 3.48Å; S255-E257 PolarHBondContact OG-N 2.91Å; S255-E257 VanDerWaalsContact OG-N 3.11Å | ||
| 256 | C | 88.3 | Confident | 86 | Confident | 23 Ų | 23 | 33.4 Ų | 33.4 | 16% | 0.155 | 18% | 0.183 | C | C | . | . | trans | -99.4 | 15.1 | 173.8 | -62.8 | 0 | 0 | 0 | 0 | 112.9 | P264 D279 S280 C281 | C256-P264 VanDerWaalsContact C-CG 3.48Å; C256-P264 VanDerWaalsContact O-CG 3.25Å; C256-P264 WeakPolarHBondContact O-CG 3.34Å; C256-D279 VanDerWaalsContact SG-C 3.54Å; C256-D279 PolarHBondContact SG-O 3.49Å; C256-D279 VanDerWaalsContact SG-O 3.37Å; C256-S280 VanDerWaalsContact SG-C 3.53Å; C256-C281 WeakPolarHBondContact CA-SG 3.45Å; C256-C281 HydrophobicContact CB-CB 3.76Å; C256-C281 WeakPolarHBondContact CB-SG 3.49Å; C256-C281 WeakPolarHBondContact SG-CB 3.11Å; C256-C281 PolarHBondContact SG-N 2.89Å; C256-C281 CovalentContact SG-SG 2.04Å; C256-C281 PolarHBondContact SG-SG 3.4Å | ||
| 257 | E | 88.6 | Confident | 86.7 | Confident | 118 Ų | 118 | 33.5 Ų | 33.5 | 55% | 0.551 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -78.5 | 146.8 | 173.5 | -65.1 | -178 | -165.8 | 0 | 0 | 112 | L250 S255 S259 | L250-E257 HydrophobicContact CD1-CB 3.79Å; L250-E257 HydrophobicContact CD1-CG 4.27Å; L250-E257 VanDerWaalsContact CD1-OE2 3.29Å; L250-E257 WeakPolarHBondContact CD1-OE2 3.27Å; S255-E257 WeakPolarHBondContact OG-CB 3.22Å; S255-E257 WeakPolarHBondContact OG-CG 3.48Å; S255-E257 PolarHBondContact OG-N 2.91Å; S255-E257 VanDerWaalsContact OG-N 3.11Å; E257-S259 PolarHBondContact O-N 3Å |
| 258 | H | 88.6 | Confident | 87.4 | Confident | 49 Ų | 49 | 30.4 Ų | 30.4 | 23% | 0.227 | 16% | 0.162 | C | C | . | . | trans | -80.1 | 114 | 171.4 | -65.3 | 173.8 | 0 | 0 | 0 | 109.2 | W184 | W184-H258 HydrophobicContact CD2-CB 4.03Å; W184-H258 HydrophobicContact CE3-CB 4.08Å; W184-H258 HydrophobicContact CH2-CB 3.69Å; W184-H258 HydrophobicContact CZ2-CB 3.59Å; W184-H258 HydrophobicContact CZ3-CB 3.93Å; W184-H258 PolarHBondContact O-CE1 2.87Å; W184-H258 PolarHBondContact O-ND1 2.85Å; W184-H258 VanDerWaalsContact O-ND1 3.08Å | ||
| 259 | S | 88.1 | Confident | 87.9 | Confident | 9 Ų | 9 | 31.3 Ų | 31.3 | 6% | 0.063 | 17% | 0.173 | C | C | . | . | B | Isolated β-bridge | trans | -155.8 | 130.2 | 176.1 | -171.7 | 0 | 0 | 0 | 0 | 108.2 | S245 N248 E257 P261 C262 | S245-S259 WeakPolarHBondContact CB-OG 3.43Å; S245-S259 PolarHBondContact OG-OG 3.04Å; N248-S259 PolarHBondContact OD1-OG 3.41Å; N248-S259 VanDerWaalsContact OD1-OG 3.11Å; E257-S259 PolarHBondContact O-N 3Å; S259-P261 CarbonylContact O-C 3.55Å; S259-C262 PolarHBondContact N-O 3.43Å; S259-C262 VanDerWaalsContact O-CA 3.25Å; S259-C262 WeakPolarHBondContact O-CA 3.24Å; S259-C262 WeakPolarHBondContact O-CB 3.19Å; S259-C262 PolarHBondContact O-N 3.33Å; S259-C262 PolarHBondContact O-SG 2.86Å; S259-C262 VanDerWaalsContact O-SG 3.33Å |
| 260 | E | 85.1 | Confident | 88.3 | Confident | 45 Ų | 45 | 33.9 Ų | 33.9 | 21% | 0.21 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | 123.1 | -176.7 | -178.1 | 80.9 | -157.3 | 0 | 0 | 111 | S245 F246 R286 R307 | S245-E260 WeakPolarHBondContact CA-O 3.47Å; S245-E260 WeakPolarHBondContact CB-O 3.44Å; S245-E260 PolarHBondContact OG-O 3.19Å; F246-E260 HydrophobicContact CD2-CG 4.37Å; F246-E260 PolarHBondContact N-O 3.37Å; E260-R286 IonicContact OE1-NH1 2.86Å; E260-R286 WeakPolarHBondContact OE2-CD 3.07Å; E260-R286 IonicContact OE2-CZ 3.88Å; E260-R286 IonicContact OE2-NE 2.87Å; E260-R286 IonicContact OE2-NH1 3.31Å; E260-R286 PolarHBondContact OE2-NH1 3.32Å; E260-R307 IonicContact OE1-CZ 3.54Å; E260-R307 IonicContact OE1-NH1 2.94Å; E260-R307 PolarHBondContact OE1-NH1 2.85Å; E260-R307 IonicContact OE1-NH2 4Å; E260-R307 PolarHBondContact OE1-NH2 2.84Å; E260-R307 IonicContact OE2-NH1 3.39Å; E260-R307 PolarHBondContact OE2-NH1 2.87Å |
| 261 | P | 88.5 | Confident | 88.6 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -102.5 | 14.1 | 11.9 | 38.2 | -34.3 | 0 | 0 | 0 | 116 | S240 S242 S259 F285 R286 | S240-P261 VanDerWaalsContact CB-CB 3.45Å; S242-P261 WeakPolarHBondContact O-CG 3.19Å; S259-P261 CarbonylContact O-C 3.55Å; P261-F285 CarbonylContact O-C 3.56Å; P261-F285 WeakPolarHBondContact O-CA 3.17Å; P261-R286 HydrophobicContact CB-CB 4.33Å; P261-R286 WeakPolarHBondContact O-CG 3.18Å; P261-R286 PolarHBondContact O-N 3.43Å |
| 262 | C | 89.3 | Confident | 88.8 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.007 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -73.2 | 122.6 | 178 | -33.7 | 0 | 0 | 0 | 0 | 112.7 | C252 S259 P264 | C252-C262 WeakPolarHBondContact CA-SG 3.23Å; C252-C262 HydrophobicContact CB-CB 3.63Å; C252-C262 WeakPolarHBondContact CB-SG 3.42Å; C252-C262 WeakPolarHBondContact SG-CA 3.46Å; C252-C262 WeakPolarHBondContact SG-CB 3.21Å; C252-C262 PolarHBondContact SG-N 2.87Å; C252-C262 VanDerWaalsContact SG-N 3.4Å; C252-C262 CovalentContact SG-SG 2.03Å; C252-C262 PolarHBondContact SG-SG 2.92Å; S259-C262 PolarHBondContact N-O 3.43Å; S259-C262 VanDerWaalsContact O-CA 3.25Å; S259-C262 WeakPolarHBondContact O-CA 3.24Å; S259-C262 WeakPolarHBondContact O-CB 3.19Å; S259-C262 PolarHBondContact O-N 3.33Å; S259-C262 PolarHBondContact O-SG 2.86Å; S259-C262 VanDerWaalsContact O-SG 3.33Å; C262-P264 VanDerWaalsContact C-CD 3.45Å |
| 263 | I | 92.2 | Very high | 89 | Confident | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | trans | -131.3 | 56 | 174.6 | 49 | 162.8 | 0 | 0 | 0 | 111.8 | P181 W184 A284 R286 Q576 D580 | P181-I263 HydrophobicContact CG-CG2 4.02Å; W184-I263 HydrophobicContact CE3-CG2 4.22Å; W184-I263 HydrophobicContact CZ3-CG2 3.75Å; I263-A284 CarbonylContact C-O 3.32Å; I263-A284 HydrophobicContact CG1-CB 4.12Å; I263-A284 WeakPolarHBondContact CG1-O 3.38Å; I263-A284 PolarHBondContact N-O 2.81Å; I263-A284 WeakPolarHBondContact O-CB 3.35Å; I263-R286 HydrophobicContact CB-CG 4.25Å; I263-R286 HydrophobicContact CD1-CG 3.98Å; I263-R286 HydrophobicContact CG1-CG 3.9Å; I263-R286 HydrophobicContact CG2-CG 3.41Å; I263-R286 VanDerWaalsContact CG2-CG 3.41Å; I263-Q576 HydrophobicContact CD1-CG 4.29Å; I263-Q576 PolarHBondContact O-NE2 2.74Å; I263-D580 HydrophobicContact CD1-CB 3.86Å | ||
| 264 | P | 92.2 | Very high | 89.5 | Confident | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.019 | 24% | 0.238 | C | C | . | . | trans | -54.7 | 144.7 | -173.3 | 23.5 | -34.8 | 0 | 0 | 0 | 112.8 | C256 C262 P266 C281 | C256-P264 VanDerWaalsContact C-CG 3.48Å; C256-P264 VanDerWaalsContact O-CG 3.25Å; C256-P264 WeakPolarHBondContact O-CG 3.34Å; C262-P264 VanDerWaalsContact C-CD 3.45Å; P264-P266 WeakPolarHBondContact O-CD 3.23Å; P264-C281 HydrophobicContact CB-CB 3.86Å; P264-C281 WeakPolarHBondContact CB-SG 3.35Å | ||
| 265 | I | 93.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 114.4 | 176.6 | -66.5 | 167.8 | 0 | 0 | 0 | 108.3 | V198 R199 C281 I282 A284 A572 L573 Q576 | V198-I265 HydrophobicContact CG2-CB 4.34Å; V198-I265 HydrophobicContact CG2-CD1 4.21Å; V198-I265 HydrophobicContact CG2-CG1 3.98Å; V198-I265 HydrophobicContact CG2-CG2 3.54Å; R199-I265 HydrophobicContact CB-CG2 3.94Å; I265-C281 WeakPolarHBondContact O-CA 3.42Å; I265-C281 VanDerWaalsContact O-CB 3.3Å; I265-C281 WeakPolarHBondContact O-CB 3.07Å; I265-I282 HydrophobicContact CB-CB 4.04Å; I265-I282 HydrophobicContact CD1-CG2 4.41Å; I265-I282 HydrophobicContact CG2-CB 4.48Å; I265-I282 PolarHBondContact N-O 3.34Å; I265-I282 PolarHBondContact O-N 3.05Å; I265-A284 HydrophobicContact CD1-CB 4.45Å; I265-A284 HydrophobicContact CG1-CB 4.43Å; I265-A572 HydrophobicContact CD1-CB 4.18Å; I265-A572 HydrophobicContact CG2-CB 4.47Å; I265-L573 HydrophobicContact CD1-CD2 3.92Å; I265-L573 HydrophobicContact CD1-CG 4.29Å; I265-Q576 HydrophobicContact CD1-CB 3.85Å; I265-Q576 HydrophobicContact CD1-CG 4.1Å; I265-Q576 HydrophobicContact CG1-CB 3.92Å; I265-Q576 HydrophobicContact CG1-CG 3.7Å |
| 266 | P | 92.9 | Very high | 89.5 | Confident | 19 Ų | 19 | 39 Ų | 39 | 12% | 0.123 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 144.6 | -177.8 | -17.9 | 33.5 | 0 | 0 | 0 | 111.8 | L197 P264 | L197-P266 HydrophobicContact CD1-CB 4.46Å; L197-P266 HydrophobicContact CD2-CB 4Å; L197-P266 HydrophobicContact CD2-CG 3.99Å; P264-P266 WeakPolarHBondContact O-CD 3.23Å |
| 267 | I | 93.4 | Very high | 89.3 | Confident | 13 Ų | 13 | 45.8 Ų | 45.8 | 7% | 0.067 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -83.5 | 126.9 | 176.1 | -51.8 | -48.9 | 0 | 0 | 0 | 109.4 | D271 L274 S280 I282 | I267-D271 HydrophobicContact CG2-CB 3.43Å; I267-D271 VanDerWaalsContact CG2-CB 3.43Å; I267-L274 HydrophobicContact CD1-CB 4.02Å; I267-L274 HydrophobicContact CD1-CD1 3.47Å; I267-L274 VanDerWaalsContact CD1-CD1 3.47Å; I267-L274 HydrophobicContact CD1-CG 4.39Å; I267-L274 HydrophobicContact CG1-CB 4.04Å; I267-L274 HydrophobicContact CG1-CD1 4.32Å; I267-L274 HydrophobicContact CG2-CB 3.86Å; I267-S280 WeakPolarHBondContact CG1-O 3.03Å; I267-I282 HydrophobicContact CD1-CD1 4.27Å; I267-I282 HydrophobicContact CD1-CG1 3.92Å |
| 268 | P | 93.8 | Very high | 88.7 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.032 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 155.7 | 176.7 | 30.7 | -34.9 | 0 | 0 | 0 | 111.7 | L197 R199 Q200 G270 D271 | L197-P268 HydrophobicContact CD1-CB 4.09Å; R199-P268 HydrophobicContact CG-CG 4.21Å; Q200-P268 HydrophobicContact CB-CB 3.96Å; Q200-P268 HydrophobicContact CB-CG 4.13Å; Q200-P268 HydrophobicContact CG-CB 4.35Å; P268-G270 PolarHBondContact O-N 3.37Å; P268-D271 HydrophobicContact CG-CB 4.18Å; P268-D271 PolarHBondContact O-N 2.96Å |
| 269 | P | 92.3 | Very high | 88.3 | Confident | 113 Ų | 113 | 49.9 Ų | 49.9 | 73% | 0.734 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 134.5 | 170.1 | -23.8 | 34 | 0 | 0 | 0 | 111.4 | D271 | P269-D271 VanDerWaalsContact C-N 3.33Å; P269-D271 PolarHBondContact O-N 2.99Å |
| 270 | G | 90.6 | Very high | 88.3 | Confident | 78 Ų | 78 | 50.7 Ų | 50.7 | 80% | 0.804 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | 19.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | P268 | P268-G270 PolarHBondContact O-N 3.37Š|
| 271 | D | 93.6 | Very high | 88.5 | Confident | 17 Ų | 17 | 49.4 Ų | 49.4 | 9% | 0.091 | 30% | 0.298 | C | S | . | . | trans | -54.3 | 132.3 | 171.8 | -171.4 | -76.4 | 0 | 0 | 0 | 110.5 | R199 N203 I267 P268 P269 R273 L274 | R199-D271 VanDerWaalsContact CG-OD2 3.3Å; R199-D271 WeakPolarHBondContact CG-OD2 3.43Å; R199-D271 IonicContact CZ-OD2 3.69Å; R199-D271 IonicContact NE-OD1 3.57Å; R199-D271 IonicContact NE-OD2 3.93Å; R199-D271 PolarHBondContact NE-OD2 3.47Å; R199-D271 IonicContact NH2-OD1 3.93Å; R199-D271 PolarHBondContact NH2-OD1 3.13Å; R199-D271 IonicContact NH2-OD2 2.7Å; N203-D271 PolarHBondContact ND2-OD2 2.77Å; I267-D271 HydrophobicContact CG2-CB 3.43Å; I267-D271 VanDerWaalsContact CG2-CB 3.43Å; P268-D271 HydrophobicContact CG-CB 4.18Å; P268-D271 PolarHBondContact O-N 2.96Å; P269-D271 VanDerWaalsContact C-N 3.33Å; P269-D271 PolarHBondContact O-N 2.99Å; D271-R273 PolarHBondContact O-N 3.45Å; D271-R273 PolarHBondContact OD1-N 3.12Å; D271-L274 PolarHBondContact OD1-N 3.24Å | ||
| 272 | P | 89.3 | Confident | 88.5 | Confident | 103 Ų | 103 | 49.4 Ų | 49.4 | 67% | 0.669 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -71.1 | -12.6 | -173.1 | 28.7 | -36.7 | 0 | 0 | 0 | 113.7 | ||
| 273 | R | 87 | Confident | 88.3 | Confident | 69 Ų | 69 | 49.9 Ų | 49.9 | 26% | 0.26 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -122 | -40.4 | -171.7 | -176.2 | 173.4 | 64.2 | 87.8 | -8.7 | 113.2 | D271 D557 A567 | D271-R273 PolarHBondContact O-N 3.45Å; D271-R273 PolarHBondContact OD1-N 3.12Å; R273-D557 IonicContact NE-OD1 3.64Å; R273-D557 PolarHBondContact NE-OD1 3.48Å; R273-A567 VanDerWaalsContact CZ-O 3.26Å; R273-A567 PolarHBondContact NH1-O 3.31Å; R273-A567 PolarHBondContact NH2-O 3.11Å |
| 274 | L | 85.6 | Confident | 88 | Confident | 17 Ų | 17 | 50 Ų | 50 | 9% | 0.089 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -114.1 | 139.4 | -170.6 | -65.1 | 175.4 | 0 | 0 | 0 | 111.3 | I267 D271 S276 I282 L566 | I267-L274 HydrophobicContact CD1-CB 4.02Å; I267-L274 HydrophobicContact CD1-CD1 3.47Å; I267-L274 VanDerWaalsContact CD1-CD1 3.47Å; I267-L274 HydrophobicContact CD1-CG 4.39Å; I267-L274 HydrophobicContact CG1-CB 4.04Å; I267-L274 HydrophobicContact CG1-CD1 4.32Å; I267-L274 HydrophobicContact CG2-CB 3.86Å; D271-L274 PolarHBondContact OD1-N 3.24Å; L274-S276 PolarHBondContact O-N 2.91Å; L274-I282 HydrophobicContact CD1-CD1 4.03Å; L274-I282 HydrophobicContact CD1-CG1 3.63Å; L274-L566 HydrophobicContact CD2-CD1 3.72Å |
| 275 | P | 84.7 | Confident | 87.9 | Confident | 68 Ų | 68 | 50 Ų | 50 | 44% | 0.442 | 30% | 0.302 | S | S | . | . | trans | -68.1 | 133.8 | 179.1 | 29.1 | -34.1 | 0 | 0 | 0 | 110.6 | R277 S280 | P275-R277 VanDerWaalsContact C-N 3.34Å; P275-R277 HydrophobicContact CB-CG 4.34Å; P275-R277 PolarHBondContact O-N 2.81Å; P275-S280 WeakPolarHBondContact O-CB 3.45Å; P275-S280 PolarHBondContact O-OG 3.35Å | ||
| 276 | S | 82.6 | Confident | 87.9 | Confident | 67 Ų | 67 | 50.2 Ų | 50.2 | 47% | 0.469 | 30% | 0.303 | S | S | . | . | trans | -80.7 | 78.5 | 176.2 | 177 | 0 | 0 | 0 | 0 | 110.7 | L274 | L274-S276 PolarHBondContact O-N 2.91Š| ||
| 277 | R | 82.7 | Confident | 87.9 | Confident | 164 Ų | 164 | 49.3 Ų | 49.3 | 62% | 0.619 | 30% | 0.297 | S | S | * | . | trans | -118.6 | 154.5 | 175 | -59.1 | -179.8 | -179.5 | 176.4 | -0 | 111.3 | P275 D279 S280 | P275-R277 VanDerWaalsContact C-N 3.34Å; P275-R277 HydrophobicContact CB-CG 4.34Å; P275-R277 PolarHBondContact O-N 2.81Å; R277-D279 WeakPolarHBondContact CB-OD1 3.4Å; R277-D279 PolarHBondContact O-N 2.99Å; R277-S280 PolarHBondContact O-N 2.95Å | ||
| 278 | P | 76.8 | Confident | 88 | Confident | 133 Ų | 133 | 48.7 Ų | 48.7 | 86% | 0.864 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -30.1 | -179.7 | -24.6 | 34.8 | 0 | 0 | 0 | 114.4 | ||
| 279 | D | 81.3 | Confident | 87.8 | Confident | 120 Ų | 120 | 49 Ų | 49 | 64% | 0.642 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 3.7 | 177.4 | 62.6 | -32.1 | 0 | 0 | 0 | 113.3 | C256 R277 | C256-D279 VanDerWaalsContact SG-C 3.54Å; C256-D279 PolarHBondContact SG-O 3.49Å; C256-D279 VanDerWaalsContact SG-O 3.37Å; R277-D279 WeakPolarHBondContact CB-OD1 3.4Å; R277-D279 PolarHBondContact O-N 2.99Å |
| 280 | S | 86.7 | Confident | 87.7 | Confident | 27 Ų | 27 | 44.1 Ų | 44.1 | 19% | 0.189 | 26% | 0.264 | C | S | . | . | trans | -109 | 122.7 | 179.6 | -161.6 | 0 | 0 | 0 | 0 | 112.1 | C256 I267 P275 R277 | C256-S280 VanDerWaalsContact SG-C 3.53Å; I267-S280 WeakPolarHBondContact CG1-O 3.03Å; P275-S280 WeakPolarHBondContact O-CB 3.45Å; P275-S280 PolarHBondContact O-OG 3.35Å; R277-S280 PolarHBondContact O-N 2.95Å | ||
| 281 | C | 89 | Confident | 87.5 | Confident | 18 Ų | 18 | 41 Ų | 41 | 12% | 0.122 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 161.3 | 176.7 | 55.8 | 0 | 0 | 0 | 0 | 110.6 | C256 P264 I265 | C256-C281 WeakPolarHBondContact CA-SG 3.45Å; C256-C281 HydrophobicContact CB-CB 3.76Å; C256-C281 WeakPolarHBondContact CB-SG 3.49Å; C256-C281 WeakPolarHBondContact SG-CB 3.11Å; C256-C281 PolarHBondContact SG-N 2.89Å; C256-C281 CovalentContact SG-SG 2.04Å; C256-C281 PolarHBondContact SG-SG 3.4Å; P264-C281 HydrophobicContact CB-CB 3.86Å; P264-C281 WeakPolarHBondContact CB-SG 3.35Å; I265-C281 WeakPolarHBondContact O-CA 3.42Å; I265-C281 VanDerWaalsContact O-CB 3.3Å; I265-C281 WeakPolarHBondContact O-CB 3.07Å |
| 282 | I | 88.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 120.2 | 163.9 | -64.8 | 162.9 | 0 | 0 | 0 | 106.8 | R199 I265 I267 L274 L568 D569 | R199-I282 HydrophobicContact CG-CD1 4.49Å; I265-I282 HydrophobicContact CB-CB 4.04Å; I265-I282 HydrophobicContact CD1-CG2 4.41Å; I265-I282 HydrophobicContact CG2-CB 4.48Å; I265-I282 PolarHBondContact N-O 3.34Å; I265-I282 PolarHBondContact O-N 3.05Å; I267-I282 HydrophobicContact CD1-CD1 4.27Å; I267-I282 HydrophobicContact CD1-CG1 3.92Å; L274-I282 HydrophobicContact CD1-CD1 4.03Å; L274-I282 HydrophobicContact CD1-CG1 3.63Å; I282-L568 HydrophobicContact CG2-CD2 3.75Å; I282-D569 HydrophobicContact CD1-CB 4.12Å |
| 283 | P | 85 | Confident | 86.3 | Confident | 10 Ų | 10 | 36.8 Ų | 36.8 | 7% | 0.065 | 21% | 0.205 | C | C | . | . | trans | -67 | 140 | -179.1 | 26.8 | -33.3 | 0 | 0 | 0 | 110.6 | R64 | R64-P283 HydrophobicContact CB-CG 3.85Å; R64-P283 HydrophobicContact CG-CG 4.42Å | ||
| 284 | A | 87.3 | Confident | 85.8 | Confident | 5 Ų | 5 | 33.6 Ų | 33.6 | 4% | 0.041 | 19% | 0.194 | C | C | . | . | trans | -148.9 | 144.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | I263 I265 L573 | I263-A284 CarbonylContact C-O 3.32Å; I263-A284 HydrophobicContact CG1-CB 4.12Å; I263-A284 WeakPolarHBondContact CG1-O 3.38Å; I263-A284 PolarHBondContact N-O 2.81Å; I263-A284 WeakPolarHBondContact O-CB 3.35Å; I265-A284 HydrophobicContact CD1-CB 4.45Å; I265-A284 HydrophobicContact CG1-CB 4.43Å; A284-L573 HydrophobicContact CB-CD2 4.08Å | ||
| 285 | F | 89.1 | Confident | 85 | Confident | 5 Ų | 5 | 38 Ų | 38 | 2% | 0.022 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | -115.3 | 143.5 | -177.5 | -60.1 | -95.3 | 0 | 0 | 0 | 109.9 | F239 I243 C252 D253 P261 R577 | F239-F285 HydrophobicContact CB-CB 4.16Å; F239-F285 HydrophobicContact CD2-CB 3.82Å; F239-F285 HydrophobicContact CD2-CD2 4.16Å; F239-F285 HydrophobicContact CD2-CG 4.28Å; F239-F285 HydrophobicContact CE2-CB 4.4Å; F239-F285 HydrophobicContact CE2-CD2 4.33Å; F239-F285 HydrophobicContact CG-CB 4.02Å; I243-F285 HydrophobicContact CB-CE1 4.16Å; I243-F285 HydrophobicContact CG2-CE1 3.98Å; I243-F285 HydrophobicContact CG2-CZ 4.28Å; C252-F285 HydrophobicContact CB-CD1 4.04Å; C252-F285 HydrophobicContact CB-CE1 3.38Å; C252-F285 HydrophobicContact CB-CZ 3.94Å; D253-F285 WeakPolarHBondContact OD1-CZ 3.38Å; P261-F285 CarbonylContact O-C 3.56Å; P261-F285 WeakPolarHBondContact O-CA 3.17Å; F285-R577 VanDerWaalsContact O-CZ 3.23Å; F285-R577 PolarHBondContact O-NH1 2.78Å; F285-R577 PolarHBondContact O-NH2 3.48Å |
| 286 | R | 92.8 | Very high | 83.7 | Confident | 3 Ų | 3 | 35 Ų | 35 | 1% | 0.011 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -64.8 | 146.5 | 174.4 | -67.1 | -162.3 | 71.6 | -178.1 | 8 | 111.7 | S179 S240 E260 P261 I263 R307 D580 | S179-R286 VanDerWaalsContact O-CZ 3.25Å; S179-R286 PolarHBondContact O-NH1 3.48Å; S179-R286 PolarHBondContact O-NH2 3.37Å; S240-R286 PolarHBondContact N-O 3.44Å; E260-R286 IonicContact OE1-NH1 2.86Å; E260-R286 WeakPolarHBondContact OE2-CD 3.07Å; E260-R286 IonicContact OE2-CZ 3.88Å; E260-R286 IonicContact OE2-NE 2.87Å; E260-R286 IonicContact OE2-NH1 3.31Å; E260-R286 PolarHBondContact OE2-NH1 3.32Å; P261-R286 HydrophobicContact CB-CB 4.33Å; P261-R286 WeakPolarHBondContact O-CG 3.18Å; P261-R286 PolarHBondContact O-N 3.43Å; I263-R286 HydrophobicContact CB-CG 4.25Å; I263-R286 HydrophobicContact CD1-CG 3.98Å; I263-R286 HydrophobicContact CG1-CG 3.9Å; I263-R286 HydrophobicContact CG2-CG 3.41Å; I263-R286 VanDerWaalsContact CG2-CG 3.41Å; R286-R307 VanDerWaalsContact NH2-CD 3.3Å; R286-D580 IonicContact CZ-OD1 3Å; R286-D580 IonicContact NE-OD1 2.68Å; R286-D580 PolarHBondContact NE-OD1 2.81Å; R286-D580 IonicContact NH2-OD1 2.68Å; R286-D580 PolarHBondContact NH2-OD1 3.01Å |
| 287 | S | 94.9 | Very high | 82.5 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.007 | 17% | 0.17 | C | C | . | . | B | Isolated β-bridge | trans | -66.8 | 143 | 172.3 | -68.9 | 0 | 0 | 0 | 0 | 110.7 | T237 R307 R577 D580 H581 | T237-S287 VanDerWaalsContact CG2-CB 3.5Å; T237-S287 WeakPolarHBondContact CG2-OG 3.24Å; S287-R307 PolarHBondContact O-NH2 3.07Å; S287-R577 VanDerWaalsContact OG-CD 3.31Å; S287-R577 WeakPolarHBondContact OG-CD 3.45Å; S287-R577 PolarHBondContact OG-NH1 2.69Å; S287-D580 WeakPolarHBondContact CB-OD2 3.09Å; S287-D580 PolarHBondContact N-OD2 2.72Å; S287-D580 PolarHBondContact OG-OD2 3.25Å; S287-H581 WeakPolarHBondContact CB-NE2 3.29Å; S287-H581 PolarHBondContact OG-NE2 3.18Å |
| 288 | A | 93.6 | Very high | 81.1 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | P | Polyproline II helix | trans | -60.8 | 138.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V81 P238 I310 | V81-A288 HydrophobicContact CB-CB 4.33Å; V81-A288 HydrophobicContact CG1-CB 3.69Å; V81-A288 HydrophobicContact CG2-CB 3.6Å; P238-A288 HydrophobicContact CG-CB 4.09Å; P238-A288 PolarHBondContact O-N 2.93Å; A288-I310 HydrophobicContact CB-CG2 4.04Å; A288-I310 PolarHBondContact O-N 2.87Å |
| 289 | P | 89.8 | Confident | 79.8 | Confident | 11 Ų | 11 | 20.4 Ų | 20.4 | 7% | 0.071 | 11% | 0.111 | C | C | . | . | B | Isolated β-bridge | trans | -80.7 | 166.6 | 178.5 | 34.4 | -34.5 | 0 | 0 | 0 | 112.2 | A84 E308 | A84-P289 HydrophobicContact CB-CG 4.12Å; P289-E308 WeakPolarHBondContact CA-O 3.33Å |
| 290 | T | 89.9 | Confident | 78.5 | Confident | 10 Ų | 10 | 18.2 Ų | 18.2 | 6% | 0.061 | 10% | 0.096 | C | C | . | . | P | Polyproline II helix | trans | -103.7 | 147.9 | 164.5 | 53.3 | 0 | 0 | 0 | 0 | 112.1 | P165 T293 E308 I310 | P165-T290 HydrophobicContact CB-CG2 3.92Å; T290-T293 PolarHBondContact O-OG1 3.32Å; T290-T293 PolarHBondContact OG1-OG1 3.35Å; T290-E308 PolarHBondContact N-O 3.47Å; T290-E308 PolarHBondContact OG1-O 3.19Å; T290-I310 HydrophobicContact CG2-CB 3.53Å; T290-I310 HydrophobicContact CG2-CD1 4.42Å; T290-I310 HydrophobicContact CG2-CG1 3.86Å |
| 291 | C | 88.3 | Confident | 76.6 | Confident | 13 Ų | 13 | 20.8 Ų | 20.8 | 9% | 0.088 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 141.3 | 170.2 | -79.2 | 0 | 0 | 0 | 0 | 112.1 | C126 I130 | C126-C291 WeakPolarHBondContact CA-SG 3.44Å; C126-C291 HydrophobicContact CB-CB 3.58Å; C126-C291 WeakPolarHBondContact CB-SG 3.46Å; C126-C291 WeakPolarHBondContact SG-CB 3.38Å; C126-C291 CovalentContact SG-SG 2.05Å; C126-C291 PolarHBondContact SG-SG 3.27Å; I130-C291 HydrophobicContact CG2-CB 4.45Å |
| 292 | G | 77 | Confident | 74.7 | Confident | 12 Ų | 12 | 22.2 Ų | 22.2 | 12% | 0.124 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 20.5 | 174 | 0 | 0 | 0 | 0 | 0 | 115.3 | S296 A297 F300 | G292-S296 PolarHBondContact N-OG 3.43Å; G292-A297 WeakPolarHBondContact O-CA 3.38Å; G292-F300 VanDerWaalsContact CA-CE2 3.4Å |
| 293 | T | 80.1 | Confident | 72.9 | Confident | 19 Ų | 19 | 29.9 Ų | 29.9 | 12% | 0.117 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -133.3 | 161 | 178.6 | 73.8 | 0 | 0 | 0 | 0 | 111.9 | T290 S296 K306 E308 | T290-T293 PolarHBondContact O-OG1 3.32Å; T290-T293 PolarHBondContact OG1-OG1 3.35Å; T293-S296 PolarHBondContact N-OG 3.05Å; T293-S296 VanDerWaalsContact N-OG 3.08Å; T293-S296 PolarHBondContact O-N 3.3Å; T293-S296 PolarHBondContact O-OG 2.93Å; T293-K306 WeakPolarHBondContact CB-O 3.18Å; T293-E308 HydrophobicContact CG2-CB 3.94Å; T293-E308 HydrophobicContact CG2-CG 4.02Å; T293-E308 PolarHBondContact OG1-N 3.33Å; T293-E308 VanDerWaalsContact OG1-N 3.11Å |
| 294 | G | 77 | Confident | 71.3 | Confident | 3 Ų | 3 | 32.9 Ų | 32.9 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | 65.4 | -139.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S296 A297 N305 K306 | G294-S296 PolarHBondContact O-N 2.8Å; G294-A297 VanDerWaalsContact O-CB 3.28Å; G294-A297 WeakPolarHBondContact O-CB 3.3Å; G294-A297 PolarHBondContact O-N 2.99Å; G294-N305 WeakPolarHBondContact CA-O 3.26Å; G294-N305 PolarHBondContact N-O 2.95Å; G294-K306 VanDerWaalsContact N-C 3.35Å; G294-K306 PolarHBondContact N-O 3.17Å |
| 295 | Y | 67 | Low | 70.4 | Confident | 109 Ų | 109 | 37.3 Ų | 37.3 | 43% | 0.427 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -60.9 | -14.3 | 177 | -60.1 | -62.6 | 0 | 0 | 0 | 113.6 | D176 I178 S179 | D176-Y295 VanDerWaalsContact OD2-CZ 3.29Å; D176-Y295 PolarHBondContact OD2-OH 3.05Å; I178-Y295 HydrophobicContact CB-CD1 4.48Å; I178-Y295 HydrophobicContact CB-CE1 4.11Å; I178-Y295 HydrophobicContact CD1-CD1 4.15Å; I178-Y295 HydrophobicContact CD1-CE1 3.87Å; I178-Y295 HydrophobicContact CG2-CD1 3.75Å; I178-Y295 HydrophobicContact CG2-CE1 3.86Å; I178-Y295 HydrophobicContact CG2-CG 4.22Å; S179-Y295 WeakPolarHBondContact OG-CE2 3.43Å |
| 296 | S | 58.4 | Low | 70.2 | Confident | 5 Ų | 5 | 40.2 Ų | 40.2 | 4% | 0.035 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -88.9 | -4.2 | 174.6 | 73.3 | 0 | 0 | 0 | 0 | 115.8 | M87 L91 G292 T293 G294 F298 N299 | M87-S296 VanDerWaalsContact CG-CB 3.49Å; L91-S296 VanDerWaalsContact CD1-CA 3.48Å; G292-S296 PolarHBondContact N-OG 3.43Å; T293-S296 PolarHBondContact N-OG 3.05Å; T293-S296 VanDerWaalsContact N-OG 3.08Å; T293-S296 PolarHBondContact O-N 3.3Å; T293-S296 PolarHBondContact O-OG 2.93Å; G294-S296 PolarHBondContact O-N 2.8Å; S296-F298 VanDerWaalsContact C-N 3.27Å; S296-F298 PolarHBondContact O-N 2.68Å; S296-N299 PolarHBondContact O-N 3.26Å |
| 297 | A | 56.9 | Low | 70.1 | Confident | 5 Ų | 5 | 41 Ų | 41 | 4% | 0.041 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -67.5 | -26.9 | -176 | 0 | 0 | 0 | 0 | 0 | 114 | G292 G294 N299 F300 N305 | G292-A297 WeakPolarHBondContact O-CA 3.38Å; G294-A297 VanDerWaalsContact O-CB 3.28Å; G294-A297 WeakPolarHBondContact O-CB 3.3Å; G294-A297 PolarHBondContact O-N 2.99Å; A297-N299 PolarHBondContact O-N 2.68Å; A297-F300 PolarHBondContact O-N 2.93Å; A297-N305 HydrophobicContact CB-CB 3.82Å; A297-N305 VanDerWaalsContact CB-N 3.29Å; A297-N305 VanDerWaalsContact CB-O 3.23Å; A297-N305 WeakPolarHBondContact CB-O 3.47Å |
| 298 | F | 53.9 | Low | 70.1 | Confident | 47 Ų | 47 | 42 Ų | 42 | 21% | 0.206 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -66.1 | -7.8 | -178.4 | -64.7 | -82.6 | 0 | 0 | 0 | 113.8 | T109 L117 S296 P304 | T109-F298 HydrophobicContact CG2-CB 3.22Å; T109-F298 HydrophobicContact CG2-CG 4.23Å; T109-F298 WeakPolarHBondContact OG1-CB 3.47Å; T109-F298 WeakPolarHBondContact OG1-CG 3.5Å; L117-F298 WeakPolarHBondContact CD1-O 3.42Å; S296-F298 VanDerWaalsContact C-N 3.27Å; S296-F298 PolarHBondContact O-N 2.68Å; F298-P304 HydrophobicContact CD1-CG 4.43Å; F298-P304 HydrophobicContact CE1-CB 3.94Å; F298-P304 HydrophobicContact CE1-CG 3.63Å; F298-P304 HydrophobicContact CZ-CB 3.87Å; F298-P304 HydrophobicContact CZ-CG 4Å |
| 299 | N | 50.1 | Low | 70.2 | Confident | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.027 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -84.9 | -6.6 | -178 | -73 | 26.7 | 0 | 0 | 0 | 115.6 | M87 L91 T109 L117 L120 S296 A297 | M87-N299 HydrophobicContact CE-CB 4.48Å; M87-N299 PolarHBondContact SD-ND2 3.12Å; L91-N299 WeakPolarHBondContact CD1-OD1 3.34Å; L91-N299 WeakPolarHBondContact CD2-OD1 3.4Å; T109-N299 WeakPolarHBondContact CG2-OD1 3.13Å; L117-N299 HydrophobicContact CB-CB 4.46Å; L117-N299 WeakPolarHBondContact CB-O 3.5Å; L117-N299 HydrophobicContact CD2-CB 4.15Å; L117-N299 WeakPolarHBondContact CD2-OD1 3.47Å; L120-N299 WeakPolarHBondContact CD2-ND2 3.44Å; S296-N299 PolarHBondContact O-N 3.26Å; A297-N299 PolarHBondContact O-N 2.68Å |
| 300 | F | 52.8 | Low | 70.5 | Confident | 75 Ų | 75 | 41.6 Ų | 41.6 | 33% | 0.329 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -121.4 | 23.2 | -172.1 | -62 | -73.8 | 0 | 0 | 0 | 113.9 | M87 A121 C126 I130 G292 A297 G302 | M87-F300 HydrophobicContact CE-CZ 4.33Å; A121-F300 HydrophobicContact CB-CE1 3.47Å; A121-F300 VanDerWaalsContact CB-CE1 3.47Å; A121-F300 HydrophobicContact CB-CZ 3.61Å; C126-F300 HydrophobicContact CB-CZ 4.33Å; I130-F300 HydrophobicContact CD1-CD1 3.46Å; I130-F300 VanDerWaalsContact CD1-CD1 3.46Å; I130-F300 HydrophobicContact CD1-CE1 3.18Å; I130-F300 HydrophobicContact CD1-CE2 4.43Å; I130-F300 HydrophobicContact CD1-CG 4.21Å; I130-F300 HydrophobicContact CD1-CZ 3.72Å; I130-F300 HydrophobicContact CG1-CE1 4.47Å; G292-F300 VanDerWaalsContact CA-CE2 3.4Å; A297-F300 PolarHBondContact O-N 2.93Å; F300-G302 PolarHBondContact O-N 3.12Å; F300-G302 VanDerWaalsContact O-N 3.16Å |
| 301 | G | 47.1 | Very low | 70.9 | Confident | 80 Ų | 80 | 41.3 Ų | 41.3 | 83% | 0.825 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 20.9 | 170 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 302 | G | 49.1 | Very low | 71.3 | Confident | 49 Ų | 49 | 41 Ų | 41 | 51% | 0.505 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -114.8 | 173.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | F300 | F300-G302 PolarHBondContact O-N 3.12Å; F300-G302 VanDerWaalsContact O-N 3.16Å |
| 303 | E | 50.6 | Low | 72.3 | Confident | 161 Ų | 161 | 40.9 Ų | 40.9 | 75% | 0.752 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -48.2 | 144.1 | 168 | -71.4 | -67.5 | 148.5 | 0 | 0 | 110.9 | N305 | E303-N305 PolarHBondContact O-N 3.23Š|
| 304 | P | 52.5 | Low | 73.2 | Confident | 73 Ų | 73 | 40 Ų | 40 | 47% | 0.474 | 23% | 0.227 | S | C | . | . | trans | -53.8 | 102.7 | 176.6 | -22.2 | 31.5 | 0 | 0 | 0 | 111.2 | F298 | F298-P304 HydrophobicContact CD1-CG 4.43Å; F298-P304 HydrophobicContact CE1-CB 3.94Å; F298-P304 HydrophobicContact CE1-CG 3.63Å; F298-P304 HydrophobicContact CZ-CB 3.87Å; F298-P304 HydrophobicContact CZ-CG 4Å | ||
| 305 | N | 67.3 | Low | 74.2 | Confident | 97 Ų | 97 | 40 Ų | 40 | 52% | 0.519 | 23% | 0.226 | S | C | . | . | P | Polyproline II helix | trans | -83.9 | 129.5 | 177.4 | -79.7 | -28.9 | 0 | 0 | 0 | 110.3 | G294 A297 E303 | G294-N305 WeakPolarHBondContact CA-O 3.26Å; G294-N305 PolarHBondContact N-O 2.95Å; A297-N305 HydrophobicContact CB-CB 3.82Å; A297-N305 VanDerWaalsContact CB-N 3.29Å; A297-N305 VanDerWaalsContact CB-O 3.23Å; A297-N305 WeakPolarHBondContact CB-O 3.47Å; E303-N305 PolarHBondContact O-N 3.23Å |
| 306 | K | 85.8 | Confident | 75.7 | Confident | 67 Ų | 67 | 34.8 Ų | 34.8 | 29% | 0.291 | 21% | 0.206 | S | C | . | . | P | Polyproline II helix | trans | -64.2 | 161.6 | 177.3 | -64 | 177.9 | 177.2 | 169 | 0 | 111.1 | S172 Y174 G177 I178 T293 G294 E308 | S172-K306 VanDerWaalsContact O-CD 3.25Å; S172-K306 WeakPolarHBondContact O-CD 3.33Å; S172-K306 WeakPolarHBondContact O-CE 3.49Å; S172-K306 PolarHBondContact O-NZ 2.75Å; S172-K306 WeakPolarHBondContact OG-CB 3.27Å; S172-K306 WeakPolarHBondContact OG-CD 3.09Å; Y174-K306 HydrophobicContact CD2-CB 4.05Å; Y174-K306 HydrophobicContact CD2-CD 4.39Å; Y174-K306 HydrophobicContact CD2-CG 4.49Å; Y174-K306 HydrophobicContact CE2-CB 3.98Å; G177-K306 WeakPolarHBondContact O-CE 3.21Å; G177-K306 WeakPolarHBondContact O-CG 3.25Å; I178-K306 CarbonylContact O-C 3.47Å; I178-K306 WeakPolarHBondContact O-CA 3.46Å; T293-K306 WeakPolarHBondContact CB-O 3.18Å; G294-K306 VanDerWaalsContact N-C 3.35Å; G294-K306 PolarHBondContact N-O 3.17Å; K306-E308 PolarHBondContact O-N 2.96Å |
| 307 | R | 91.1 | Very high | 77.6 | Confident | 19 Ų | 19 | 34.7 Ų | 34.7 | 7% | 0.072 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -58.5 | 128.1 | -179.8 | 179.9 | -177.4 | -179.5 | 132.1 | -11.2 | 110.5 | Y174 I178 E260 R286 S287 | Y174-R307 HydrophobicContact CE2-CB 4.14Å; Y174-R307 WeakPolarHBondContact CE2-O 3.25Å; Y174-R307 PolarHBondContact OH-O 2.92Å; I178-R307 PolarHBondContact O-N 3.16Å; E260-R307 IonicContact OE1-CZ 3.54Å; E260-R307 IonicContact OE1-NH1 2.94Å; E260-R307 PolarHBondContact OE1-NH1 2.85Å; E260-R307 IonicContact OE1-NH2 4Å; E260-R307 PolarHBondContact OE1-NH2 2.84Å; E260-R307 IonicContact OE2-NH1 3.39Å; E260-R307 PolarHBondContact OE2-NH1 2.87Å; R286-R307 VanDerWaalsContact NH2-CD 3.3Å; S287-R307 PolarHBondContact O-NH2 3.07Å |
| 308 | E | 93.4 | Very high | 79.6 | Confident | 22 Ų | 22 | 34.6 Ų | 34.6 | 10% | 0.103 | 20% | 0.204 | C | C | . | . | trans | -113.3 | 145.5 | 171 | -61.2 | -56.4 | 152.7 | 0 | 0 | 111.8 | P165 R168 P289 T290 T293 K306 | P165-E308 HydrophobicContact CB-CB 3.98Å; R168-E308 WeakPolarHBondContact CG-OE1 3.39Å; R168-E308 IonicContact CZ-OE1 3.38Å; R168-E308 IonicContact CZ-OE2 3.65Å; R168-E308 IonicContact NE-OE1 2.8Å; R168-E308 PolarHBondContact NE-OE1 3Å; R168-E308 IonicContact NE-OE2 3.57Å; R168-E308 PolarHBondContact NE-OE2 3.49Å; R168-E308 IonicContact NH2-OE1 3.51Å; R168-E308 IonicContact NH2-OE2 2.69Å; R168-E308 PolarHBondContact NH2-OE2 3.26Å; P289-E308 WeakPolarHBondContact CA-O 3.33Å; T290-E308 PolarHBondContact N-O 3.47Å; T290-E308 PolarHBondContact OG1-O 3.19Å; T293-E308 HydrophobicContact CG2-CB 3.94Å; T293-E308 HydrophobicContact CG2-CG 4.02Å; T293-E308 PolarHBondContact OG1-N 3.33Å; T293-E308 VanDerWaalsContact OG1-N 3.11Å; K306-E308 PolarHBondContact O-N 2.96Å | ||
| 309 | Q | 95.7 | Very high | 81.7 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | B | Isolated β-bridge | trans | -94.7 | 145.4 | 178.9 | -66.1 | 76.6 | 32.9 | 0 | 0 | 110.1 | P165 F166 Y174 T237 N478 D580 | P165-Q309 WeakPolarHBondContact CA-O 3.15Å; F166-Q309 HydrophobicContact CD2-CB 4.1Å; F166-Q309 VanDerWaalsContact CD2-O 3.29Å; F166-Q309 WeakPolarHBondContact CD2-O 3.44Å; F166-Q309 HydrophobicContact CE2-CB 4.29Å; F166-Q309 PolarHBondContact N-O 2.97Å; F166-Q309 VanDerWaalsContact N-O 3.12Å; Y174-Q309 PolarHBondContact OH-NE2 3.02Å; T237-Q309 HydrophobicContact CG2-CB 4.09Å; Q309-N478 PolarHBondContact OE1-ND2 2.81Å; Q309-D580 PolarHBondContact NE2-O 3.11Å |
| 310 | I | 95.8 | Very high | 83.9 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.015 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 137 | 179.8 | -164.3 | 169.7 | 0 | 0 | 0 | 111.2 | A80 V81 N163 F166 P238 A288 T290 | A80-I310 HydrophobicContact CB-CD1 4.07Å; V81-I310 HydrophobicContact CG2-CD1 4.4Å; V81-I310 HydrophobicContact CG2-CG2 4.28Å; N163-I310 HydrophobicContact CB-CD1 4.07Å; F166-I310 WeakPolarHBondContact CE2-O 3.4Å; P238-I310 HydrophobicContact CG-CG2 3.69Å; A288-I310 HydrophobicContact CB-CG2 4.04Å; A288-I310 PolarHBondContact O-N 2.87Å; T290-I310 HydrophobicContact CG2-CB 3.53Å; T290-I310 HydrophobicContact CG2-CD1 4.42Å; T290-I310 HydrophobicContact CG2-CG1 3.86Å |
| 311 | N | 98 | Very high | 86 | Confident | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 119.6 | 156.3 | -168.9 | 14.7 | 0 | 0 | 0 | 108.4 | N163 T164 F166 L234 S235 F236 L313 | N163-N311 WeakPolarHBondContact CA-O 3.27Å; N163-N311 PolarHBondContact N-O 3.04Å; T164-N311 PolarHBondContact N-O 3.48Å; T164-N311 PolarHBondContact O-N 3.37Å; F166-N311 HydrophobicContact CD1-CB 3.93Å; F166-N311 HydrophobicContact CE1-CB 3.53Å; F166-N311 HydrophobicContact CE2-CB 4.31Å; F166-N311 HydrophobicContact CG-CB 4.48Å; F166-N311 HydrophobicContact CZ-CB 3.74Å; L234-N311 PolarHBondContact O-ND2 2.95Å; S235-N311 WeakPolarHBondContact CA-OD1 3.44Å; F236-N311 PolarHBondContact N-OD1 3.41Å; F236-N311 PolarHBondContact O-OD1 3.06Å; N311-L313 PolarHBondContact ND2-O 3.25Å; N311-L313 PolarHBondContact OD1-N 2.95Å |
| 312 | S | 97.2 | Very high | 88.5 | Confident | 6 Ų | 6 | 25 Ų | 25 | 4% | 0.042 | 14% | 0.139 | C | C | . | . | trans | -90.9 | -0.8 | 179.6 | 53.6 | 0 | 0 | 0 | 0 | 113.8 | T77 S162 N163 F236 | T77-S312 VanDerWaalsContact CG2-CB 3.48Å; S162-S312 WeakPolarHBondContact CB-O 3.24Å; N163-S312 WeakPolarHBondContact OD1-CA 3.37Å; F236-S312 WeakPolarHBondContact CD1-OG 3.4Å; F236-S312 PolarHBondContact O-N 3.39Å; F236-S312 PolarHBondContact O-OG 3.22Å | ||
| 313 | L | 98.2 | Very high | 90.8 | Very high | 10 Ų | 10 | 22.7 Ų | 22.7 | 5% | 0.052 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -107.3 | 165.7 | 173.1 | -53.9 | -172.4 | 0 | 0 | 0 | 111.7 | S162 H232 F236 N311 | S162-L313 WeakPolarHBondContact CA-O 3.44Å; H232-L313 WeakPolarHBondContact O-CD1 3.31Å; F236-L313 HydrophobicContact CB-CD1 3.79Å; F236-L313 HydrophobicContact CB-CD2 4.07Å; F236-L313 HydrophobicContact CB-CG 3.56Å; N311-L313 PolarHBondContact ND2-O 3.25Å; N311-L313 PolarHBondContact OD1-N 2.95Å |
| 314 | T | 98.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.08 | C | C | . | . | trans | -66.7 | 157.4 | 169.1 | 68.6 | 0 | 0 | 0 | 0 | 110.1 | I147 F316 D318 | I147-T314 WeakPolarHBondContact O-CG2 3.4Å; T314-F316 VanDerWaalsContact C-N 3.31Å; T314-D318 PolarHBondContact OG1-OD1 3.03Å; T314-D318 PolarHBondContact OG1-OD2 2.9Å | ||
| 315 | A | 98.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 12 Ų | 12 | 2% | 0.017 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -89.4 | 4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | G160 L234 P474 I476 I659 | G160-A315 PolarHBondContact O-N 2.63Å; L234-A315 WeakPolarHBondContact CD2-O 3.36Å; A315-P474 WeakPolarHBondContact CB-O 3.33Å; A315-I476 HydrophobicContact CB-CD1 3.92Å; A315-I476 HydrophobicContact CB-CG1 3.8Å; A315-I659 VanDerWaalsContact O-CG2 3.26Å; A315-I659 WeakPolarHBondContact O-CG2 3.29Å |
| 316 | F | 98.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 8.5 Ų | 8.5 | 0% | 0.004 | 4% | 0.042 | C | C | . | . | S | Bend | trans | -106.4 | 155.6 | -169.6 | -57.6 | -72.3 | 0 | 0 | 0 | 110.9 | S149 N152 G160 T314 D318 P474 D663 | S149-F316 WeakPolarHBondContact OG-CD2 3.24Å; N152-F316 HydrophobicContact CB-CE2 3.67Å; N152-F316 HydrophobicContact CB-CZ 3.62Å; G160-F316 WeakPolarHBondContact O-CE2 2.98Å; T314-F316 VanDerWaalsContact C-N 3.31Å; F316-D318 VanDerWaalsContact C-N 3.26Å; F316-D318 HydrophobicContact CB-CB 4.26Å; F316-D318 PolarHBondContact O-N 3.39Å; F316-P474 HydrophobicContact CE1-CB 3.66Å; F316-P474 HydrophobicContact CE1-CG 3.93Å; F316-P474 HydrophobicContact CZ-CB 4.03Å; F316-P474 HydrophobicContact CZ-CG 3.77Å; F316-D663 HydrophobicContact CD1-CB 3.68Å; F316-D663 HydrophobicContact CE1-CB 3.78Å |
| 317 | L | 98.6 | Very high | 96.9 | Very high | 2 Ų | 2 | 10 Ų | 10 | 1% | 0.01 | 5% | 0.05 | C | C | . | . | S | Bend | trans | -78.4 | 83.2 | 165.4 | -65 | 172.8 | 0 | 0 | 0 | 107.9 | D233 L234 T440 Q441 V444 F445 F656 I659 | D233-L317 HydrophobicContact CB-CD2 4.48Å; D233-L317 WeakPolarHBondContact OD2-CA 3.38Å; L234-L317 HydrophobicContact CD1-CD2 4.25Å; L234-L317 HydrophobicContact CD2-CD2 3.87Å; L234-L317 HydrophobicContact CD2-CG 4.23Å; L234-L317 HydrophobicContact CG-CD2 4.14Å; L317-T440 HydrophobicContact CB-CG2 4.1Å; L317-Q441 HydrophobicContact CB-CG 3.88Å; L317-Q441 PolarHBondContact O-NE2 2.83Å; L317-Q441 VanDerWaalsContact O-NE2 3.13Å; L317-V444 HydrophobicContact CD1-CB 3.76Å; L317-V444 HydrophobicContact CD1-CG1 3.68Å; L317-V444 HydrophobicContact CD1-CG2 4.03Å; L317-V444 HydrophobicContact CD2-CG2 4.19Å; L317-F445 HydrophobicContact CD1-CD2 4.18Å; L317-F445 HydrophobicContact CD1-CE2 3.78Å; L317-F656 HydrophobicContact CD1-CD1 4.45Å; L317-F656 HydrophobicContact CD1-CE1 4.19Å; L317-F656 HydrophobicContact CD2-CE1 4.38Å; L317-I659 HydrophobicContact CD1-CD1 4.33Å; L317-I659 HydrophobicContact CG-CD1 4.04Å |
| 318 | D | 98.1 | Very high | 97.2 | Very high | 4 Ų | 4 | 17.2 Ų | 17.2 | 2% | 0.021 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -129.1 | 10.3 | -174.4 | 67.7 | 11.7 | 0 | 0 | 0 | 114.3 | S149 D233 T314 F316 | S149-D318 PolarHBondContact OG-OD2 3.2Å; D233-D318 PolarHBondContact OD2-N 3.5Å; T314-D318 PolarHBondContact OG1-OD1 3.03Å; T314-D318 PolarHBondContact OG1-OD2 2.9Å; F316-D318 VanDerWaalsContact C-N 3.26Å; F316-D318 HydrophobicContact CB-CB 4.26Å; F316-D318 PolarHBondContact O-N 3.39Å |
| 319 | L | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | trans | 62.8 | 42.6 | 178.2 | -68.1 | 174.6 | 0 | 0 | 0 | 114 | W229 D233 Q321 V322 Y323 F405 M436 T440 | W229-L319 HydrophobicContact CZ2-CD2 3.55Å; D233-L319 WeakPolarHBondContact OD1-CA 3.38Å; D233-L319 PolarHBondContact OD1-N 3.08Å; D233-L319 PolarHBondContact OD2-N 3.12Å; D233-L319 VanDerWaalsContact OD2-N 3.11Å; L319-Q321 VanDerWaalsContact C-OE1 3.3Å; L319-Q321 VanDerWaalsContact CA-OE1 3.23Å; L319-Q321 PolarHBondContact O-N 2.95Å; L319-Q321 VanDerWaalsContact O-N 3.12Å; L319-V322 HydrophobicContact CB-CB 4.39Å; L319-V322 HydrophobicContact CB-CG2 4.36Å; L319-V322 PolarHBondContact O-N 3.26Å; L319-Y323 HydrophobicContact CB-CD2 3.82Å; L319-Y323 HydrophobicContact CB-CE2 3.77Å; L319-Y323 HydrophobicContact CD1-CE2 4.32Å; L319-Y323 VanDerWaalsContact O-CD2 3.24Å; L319-Y323 WeakPolarHBondContact O-CD2 3.35Å; L319-Y323 PolarHBondContact O-N 3.31Å; L319-F405 HydrophobicContact CD1-CD1 4.3Å; L319-M436 VanDerWaalsContact CD1-C 3.44Å; L319-M436 HydrophobicContact CD1-CB 3.59Å; L319-M436 HydrophobicContact CD1-CE 4.2Å; L319-M436 VanDerWaalsContact CD1-O 3.23Å; L319-M436 WeakPolarHBondContact CD1-O 3.39Å; L319-T440 HydrophobicContact CD1-CG2 4.32Å; L319-T440 HydrophobicContact CD2-CG2 4.06Å; L319-T440 HydrophobicContact CG-CG2 3.72Å | ||
| 320 | G | 97.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -54.2 | -25.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D233 V322 G324 G388 | D233-G320 PolarHBondContact OD1-N 3.4Å; G320-V322 PolarHBondContact O-N 3.08Å; G320-G324 WeakPolarHBondContact O-CA 3.33Å; G320-G324 PolarHBondContact O-N 2.91Å; G320-G388 CarbonylContact O-C 3.3Å; G320-G388 VanDerWaalsContact O-C 3.22Å; G320-G388 VanDerWaalsContact O-CA 3.27Å; G320-G388 WeakPolarHBondContact O-CA 3.43Å |
| 321 | Q | 97 | Very high | 97.4 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.3 | -25.6 | 173.8 | -46.8 | 92.4 | -35.2 | 0 | 0 | 113.4 | W229 H232 D233 L319 G388 D389 H402 | W229-Q321 HydrophobicContact CE3-CB 4.29Å; W229-Q321 HydrophobicContact CE3-CG 4.27Å; W229-Q321 HydrophobicContact CH2-CB 3.87Å; W229-Q321 HydrophobicContact CZ2-CB 4.48Å; W229-Q321 HydrophobicContact CZ3-CB 3.74Å; W229-Q321 HydrophobicContact CZ3-CG 4.22Å; W229-Q321 PolarHBondContact O-NE2 2.74Å; H232-Q321 VanDerWaalsContact C-CG 3.49Å; H232-Q321 HydrophobicContact CB-CG 3.82Å; H232-Q321 WeakPolarHBondContact O-CG 3.31Å; D233-Q321 VanDerWaalsContact CA-CD 3.44Å; D233-Q321 VanDerWaalsContact CA-NE2 3.32Å; D233-Q321 PolarHBondContact OD1-OE1 3.44Å; D233-Q321 VanDerWaalsContact OD1-OE1 3.05Å; L319-Q321 VanDerWaalsContact C-OE1 3.3Å; L319-Q321 VanDerWaalsContact CA-OE1 3.23Å; L319-Q321 PolarHBondContact O-N 2.95Å; L319-Q321 VanDerWaalsContact O-N 3.12Å; Q321-G388 WeakPolarHBondContact O-CA 3.27Å; Q321-G388 PolarHBondContact O-N 3.41Å; Q321-D389 HydrophobicContact CB-CB 4.24Å; Q321-D389 HydrophobicContact CG-CB 4.45Å; Q321-D389 PolarHBondContact O-N 3.11Å; Q321-H402 PolarHBondContact O-CE1 2.81Å; Q321-H402 VanDerWaalsContact O-CE1 3.28Å; Q321-H402 PolarHBondContact O-ND1 3.5Å; Q321-H402 VanDerWaalsContact O-ND1 3.14Å |
| 322 | V | 98.7 | Very high | 97.4 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.018 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -97.7 | -48.5 | 178.4 | -179.5 | 0 | 0 | 0 | 0 | 110 | W229 L319 G320 L343 F405 V406 | W229-V322 HydrophobicContact CH2-CG2 3.77Å; W229-V322 HydrophobicContact CZ2-CG2 4.17Å; L319-V322 HydrophobicContact CB-CB 4.39Å; L319-V322 HydrophobicContact CB-CG2 4.36Å; L319-V322 PolarHBondContact O-N 3.26Å; G320-V322 PolarHBondContact O-N 3.08Å; V322-L343 HydrophobicContact CG1-CD1 3.56Å; V322-F405 HydrophobicContact CG2-CB 3.78Å; V322-V406 HydrophobicContact CG1-CG2 4.09Å |
| 323 | Y | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 0% | 0.004 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -97.1 | -14.4 | -168.7 | -58.3 | -66.6 | 0 | 0 | 0 | 114.7 | L319 A330 L343 H409 Y429 R433 M436 | L319-Y323 HydrophobicContact CB-CD2 3.82Å; L319-Y323 HydrophobicContact CB-CE2 3.77Å; L319-Y323 HydrophobicContact CD1-CE2 4.32Å; L319-Y323 VanDerWaalsContact O-CD2 3.24Å; L319-Y323 WeakPolarHBondContact O-CD2 3.35Å; L319-Y323 PolarHBondContact O-N 3.31Å; Y323-A330 VanDerWaalsContact O-CA 3.27Å; Y323-A330 WeakPolarHBondContact O-CA 3.12Å; Y323-A330 WeakPolarHBondContact O-CB 3.28Å; Y323-L343 HydrophobicContact CD1-CD2 4.4Å; Y323-L343 HydrophobicContact CE1-CD1 4.09Å; Y323-H409 AromaticContact CE1-CE1 3.72Å; Y323-H409 AromaticContact CE1-ND1 3.34Å; Y323-H409 VanDerWaalsContact CE1-ND1 3.34Å; Y323-H409 WeakPolarHBondContact CE1-ND1 3.47Å; Y323-H409 AromaticContact CZ-ND1 3.54Å; Y323-H409 PolarHBondContact OH-ND1 3.37Å; Y323-Y429 AromaticContact CD1-CE2 3.83Å; Y323-Y429 HydrophobicContact CD1-CE2 3.83Å; Y323-Y429 AromaticContact CD1-CZ 3.89Å; Y323-Y429 WeakPolarHBondContact CD1-OH 3.02Å; Y323-Y429 HydrophobicContact CE1-CE2 4.03Å; Y323-R433 HydrophobicContact CD1-CB 4.41Å; Y323-R433 HydrophobicContact CD1-CG 4.21Å; Y323-R433 HydrophobicContact CD2-CG 3.77Å; Y323-R433 HydrophobicContact CE1-CB 3.93Å; Y323-R433 HydrophobicContact CE1-CG 4.11Å; Y323-R433 HydrophobicContact CE2-CB 4.09Å; Y323-R433 HydrophobicContact CE2-CG 3.67Å; Y323-R433 HydrophobicContact CG-CG 4.05Å; Y323-R433 WeakPolarHBondContact OH-CA 3.31Å; Y323-M436 HydrophobicContact CE2-CB 4.33Å; Y323-M436 WeakPolarHBondContact OH-CB 3.45Å; Y323-M436 WeakPolarHBondContact OH-CG 3.18Å |
| 324 | G | 97.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | trans | 84.8 | 166 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | G320 G388 | G320-G324 WeakPolarHBondContact O-CA 3.33Å; G320-G324 PolarHBondContact O-N 2.91Å; G324-G388 WeakPolarHBondContact CA-O 3.32Å; G324-G388 VanDerWaalsContact N-CA 3.33Å | ||
| 325 | S | 97.4 | Very high | 97.4 | Very high | 8 Ų | 8 | 29.2 Ų | 29.2 | 6% | 0.056 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -117.6 | 15.2 | 174.2 | -60.2 | 0 | 0 | 0 | 0 | 112.3 | S162 | S162-S325 PolarHBondContact OG-O 3.12Š|
| 326 | D | 93.9 | Very high | 97.3 | Very high | 24 Ų | 24 | 33.9 Ų | 33.9 | 13% | 0.128 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -136.6 | 130 | -179 | 172.4 | -80.9 | 0 | 0 | 0 | 108.5 | D76 K328 L329 A330 | D76-D326 VanDerWaalsContact CB-OD2 3.24Å; D76-D326 WeakPolarHBondContact CB-OD2 3.3Å; D76-D326 PolarHBondContact N-OD2 3.45Å; D326-K328 VanDerWaalsContact C-N 3.29Å; D326-K328 PolarHBondContact O-N 3.31Å; D326-K328 WeakPolarHBondContact OD1-CA 3.25Å; D326-K328 WeakPolarHBondContact OD1-CB 3.38Å; D326-K328 PolarHBondContact OD1-N 3.25Å; D326-L329 HydrophobicContact CB-CB 4.29Å; D326-L329 PolarHBondContact O-N 3.45Å; D326-L329 PolarHBondContact OD1-N 3.45Å; D326-A330 WeakPolarHBondContact O-CB 3.48Å; D326-A330 PolarHBondContact O-N 3.44Å |
| 327 | E | 95.1 | Very high | 97.1 | Very high | 100 Ų | 100 | 40.3 Ų | 40.3 | 47% | 0.467 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.7 | -37 | -173.9 | -63.8 | -68.6 | 166.9 | 0 | 0 | 112.5 | I147 T148 A330 L331 | I147-E327 HydrophobicContact CB-CG 4.47Å; I147-E327 WeakPolarHBondContact CB-OE1 3.42Å; I147-E327 WeakPolarHBondContact CB-OE2 3.43Å; I147-E327 VanDerWaalsContact CG1-OE2 3.24Å; I147-E327 WeakPolarHBondContact CG1-OE2 3.36Å; I147-E327 PolarHBondContact N-OE1 3.4Å; T148-E327 HydrophobicContact CG2-CG 4.23Å; E327-A330 PolarHBondContact O-N 3.48Å; E327-L331 WeakPolarHBondContact O-CB 3.42Å; E327-L331 PolarHBondContact O-N 3.47Å |
| 328 | K | 95.9 | Very high | 96.8 | Very high | 170 Ų | 170 | 42 Ų | 42 | 74% | 0.739 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -70.9 | -41.5 | -179.2 | -63.6 | -176.4 | 178.2 | -175.7 | 0 | 111 | D326 N332 | D326-K328 VanDerWaalsContact C-N 3.29Å; D326-K328 PolarHBondContact O-N 3.31Å; D326-K328 WeakPolarHBondContact OD1-CA 3.25Å; D326-K328 WeakPolarHBondContact OD1-CB 3.38Å; D326-K328 PolarHBondContact OD1-N 3.25Å; K328-N332 WeakPolarHBondContact O-CB 3.12Å; K328-N332 PolarHBondContact O-N 2.93Å |
| 329 | L | 95.6 | Very high | 96.6 | Very high | 47 Ų | 47 | 46.1 Ų | 46.1 | 25% | 0.246 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.6 | -45.3 | 174.6 | 178.6 | 59.3 | 0 | 0 | 0 | 111 | D326 L331 N332 L333 I386 G388 | D326-L329 HydrophobicContact CB-CB 4.29Å; D326-L329 PolarHBondContact O-N 3.45Å; D326-L329 PolarHBondContact OD1-N 3.45Å; L329-L331 VanDerWaalsContact C-N 3.32Å; L329-L331 PolarHBondContact O-N 3.04Å; L329-N332 WeakPolarHBondContact O-CB 3.41Å; L329-N332 PolarHBondContact O-N 2.89Å; L329-N332 VanDerWaalsContact O-N 3.14Å; L329-L333 HydrophobicContact CD1-CD1 4.03Å; L329-L333 HydrophobicContact CD1-CD2 4.47Å; L329-L333 HydrophobicContact CD1-CG 4.04Å; L329-L333 HydrophobicContact CG-CD1 3.9Å; L329-L333 HydrophobicContact CG-CG 4.36Å; L329-L333 VanDerWaalsContact O-CG 3.31Å; L329-L333 WeakPolarHBondContact O-CG 3.46Å; L329-L333 PolarHBondContact O-N 3.07Å; L329-I386 HydrophobicContact CD1-CD1 4.07Å; L329-I386 HydrophobicContact CD1-CG1 4.43Å; L329-G388 WeakPolarHBondContact CD2-O 3.38Å |
| 330 | A | 98 | Very high | 96.5 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 3% | 0.025 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.1 | -44 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I147 Y323 D326 E327 L333 R334 | I147-A330 HydrophobicContact CB-CB 4.28Å; I147-A330 HydrophobicContact CD1-CB 3.54Å; I147-A330 HydrophobicContact CG1-CB 3.64Å; I147-A330 HydrophobicContact CG2-CB 3.69Å; Y323-A330 VanDerWaalsContact O-CA 3.27Å; Y323-A330 WeakPolarHBondContact O-CA 3.12Å; Y323-A330 WeakPolarHBondContact O-CB 3.28Å; D326-A330 WeakPolarHBondContact O-CB 3.48Å; D326-A330 PolarHBondContact O-N 3.44Å; E327-A330 PolarHBondContact O-N 3.48Å; A330-L333 PolarHBondContact O-N 3.32Å; A330-R334 WeakPolarHBondContact O-CG 3.41Å |
| 331 | L | 97.3 | Very high | 96.5 | Very high | 91 Ų | 91 | 47.7 Ų | 47.7 | 48% | 0.476 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.9 | -41.8 | 175.6 | -172.4 | 65 | 0 | 0 | 0 | 112 | E327 L329 L333 R334 L336 | E327-L331 WeakPolarHBondContact O-CB 3.42Å; E327-L331 PolarHBondContact O-N 3.47Å; L329-L331 VanDerWaalsContact C-N 3.32Å; L329-L331 PolarHBondContact O-N 3.04Å; L331-L333 VanDerWaalsContact C-N 3.28Å; L331-L333 PolarHBondContact O-N 3.26Å; L331-R334 PolarHBondContact O-N 3.37Å; L331-L336 HydrophobicContact CD1-CD1 3.64Å; L331-L336 HydrophobicContact CD1-CD2 4.1Å; L331-L336 HydrophobicContact CD1-CG 4.46Å; L331-L336 HydrophobicContact CG-CD1 3.99Å |
| 332 | N | 96.3 | Very high | 96.6 | Very high | 78 Ų | 78 | 48.6 Ų | 48.6 | 42% | 0.417 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.1 | -31.8 | 178.5 | -172.2 | -17.6 | 0 | 0 | 0 | 112.4 | K328 L329 R334 R344 | K328-N332 WeakPolarHBondContact O-CB 3.12Å; K328-N332 PolarHBondContact O-N 2.93Å; L329-N332 WeakPolarHBondContact O-CB 3.41Å; L329-N332 PolarHBondContact O-N 2.89Å; L329-N332 VanDerWaalsContact O-N 3.14Å; N332-R334 VanDerWaalsContact C-N 3.29Å; N332-R334 PolarHBondContact O-N 2.9Å; N332-R344 WeakPolarHBondContact O-CD 3.3Å; N332-R344 PolarHBondContact O-NH1 3.35Å; N332-R344 PolarHBondContact OD1-NH1 3.06Å |
| 333 | L | 98 | Very high | 96.6 | Very high | 9 Ų | 9 | 48.7 Ų | 48.7 | 5% | 0.047 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -77.4 | -12.6 | 179.1 | -68.8 | 169.6 | 0 | 0 | 0 | 113.6 | L329 A330 L331 L343 R344 I386 | L329-L333 HydrophobicContact CD1-CD1 4.03Å; L329-L333 HydrophobicContact CD1-CD2 4.47Å; L329-L333 HydrophobicContact CD1-CG 4.04Å; L329-L333 HydrophobicContact CG-CD1 3.9Å; L329-L333 HydrophobicContact CG-CG 4.36Å; L329-L333 VanDerWaalsContact O-CG 3.31Å; L329-L333 WeakPolarHBondContact O-CG 3.46Å; L329-L333 PolarHBondContact O-N 3.07Å; A330-L333 PolarHBondContact O-N 3.32Å; L331-L333 VanDerWaalsContact C-N 3.28Å; L331-L333 PolarHBondContact O-N 3.26Å; L333-L343 HydrophobicContact CB-CD2 4.37Å; L333-L343 WeakPolarHBondContact O-CA 3.42Å; L333-L343 WeakPolarHBondContact O-CD2 3.48Å; L333-R344 PolarHBondContact O-N 3.47Å; L333-I386 HydrophobicContact CD2-CG1 4.23Å; L333-I386 HydrophobicContact CD2-CG2 4.36Å |
| 334 | R | 98.3 | Very high | 96.6 | Very high | 35 Ų | 35 | 53.5 Ų | 53.5 | 13% | 0.132 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -85.4 | 144.4 | 179.9 | -70.6 | 166.4 | 60.5 | 166.6 | 5.1 | 111.7 | A330 L331 N332 L336 L343 R344 E426 Y429 | A330-R334 WeakPolarHBondContact O-CG 3.41Å; L331-R334 PolarHBondContact O-N 3.37Å; N332-R334 VanDerWaalsContact C-N 3.29Å; N332-R334 PolarHBondContact O-N 2.9Å; R334-L336 HydrophobicContact CB-CD2 3.8Å; R334-L336 HydrophobicContact CB-CG 4.3Å; R334-L336 PolarHBondContact O-N 2.69Å; R334-L343 HydrophobicContact CG-CD2 4.39Å; R334-R344 WeakPolarHBondContact O-CD 3.41Å; R334-R344 VanDerWaalsContact O-CG 3.3Å; R334-R344 WeakPolarHBondContact O-CG 3.49Å; R334-E426 IonicContact CZ-OE2 2.86Å; R334-E426 IonicContact NH1-OE2 3.86Å; R334-E426 PolarHBondContact NH1-OE2 3.28Å; R334-E426 IonicContact NH2-OE2 3.16Å; R334-E426 PolarHBondContact NH2-OE2 2.8Å; R334-Y429 HydrophobicContact CG-CD2 3.93Å; R334-Y429 HydrophobicContact CG-CE2 3.63Å |
| 335 | D | 97.7 | Very high | 96.6 | Very high | 33 Ų | 33 | 55.1 Ų | 55.1 | 18% | 0.176 | 29% | 0.285 | C | S | . | . | trans | -79.5 | 107.3 | 164.3 | 175.8 | 23 | 0 | 0 | 0 | 108.3 | T337 S338 L342 R344 | D335-T337 WeakPolarHBondContact OD1-CB 3.45Å; D335-T337 PolarHBondContact OD1-N 2.95Å; D335-T337 PolarHBondContact OD1-OG1 3.38Å; D335-S338 PolarHBondContact OD2-OG 3.47Å; D335-L342 HydrophobicContact CB-CB 4.13Å; D335-L342 PolarHBondContact N-O 2.57Å; D335-R344 HydrophobicContact CB-CG 4.22Å | ||
| 336 | L | 96.3 | Very high | 96.7 | Very high | 101 Ų | 101 | 55 Ų | 55 | 53% | 0.529 | 28% | 0.284 | S | S | . | . | trans | -98.2 | 3.9 | 178 | -54.8 | 179 | 0 | 0 | 0 | 112 | L331 R334 | L331-L336 HydrophobicContact CD1-CD1 3.64Å; L331-L336 HydrophobicContact CD1-CD2 4.1Å; L331-L336 HydrophobicContact CD1-CG 4.46Å; L331-L336 HydrophobicContact CG-CD1 3.99Å; R334-L336 HydrophobicContact CB-CD2 3.8Å; R334-L336 HydrophobicContact CB-CG 4.3Å; R334-L336 PolarHBondContact O-N 2.69Å | ||
| 337 | T | 95.1 | Very high | 96.7 | Very high | 136 Ų | 136 | 60.3 Ų | 60.3 | 83% | 0.834 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -87.2 | -16.3 | -180 | 69.7 | 0 | 0 | 0 | 0 | 112.7 | D335 | D335-T337 WeakPolarHBondContact OD1-CB 3.45Å; D335-T337 PolarHBondContact OD1-N 2.95Å; D335-T337 PolarHBondContact OD1-OG1 3.38Å |
| 338 | S | 92.9 | Very high | 96.8 | Very high | 37 Ų | 37 | 60.5 Ų | 60.5 | 26% | 0.259 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -122.4 | 159 | 178.9 | 69.8 | 0 | 0 | 0 | 0 | 112.3 | D335 S340 | D335-S338 PolarHBondContact OD2-OG 3.47Å; S338-S340 PolarHBondContact O-N 3.49Å |
| 339 | D | 93.1 | Very high | 96.8 | Very high | 91 Ų | 91 | 54 Ų | 54 | 49% | 0.487 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 11.7 | 175.1 | 78.3 | -33.2 | 0 | 0 | 0 | 112.9 | K417 S425 | D339-K417 WeakPolarHBondContact OD2-CE 3.45Å; D339-K417 IonicContact OD2-NZ 2.82Å; D339-K417 PolarHBondContact OD2-NZ 2.96Å; D339-S425 WeakPolarHBondContact O-CA 3.2Å |
| 340 | S | 96.6 | Very high | 96.9 | Very high | 31 Ų | 31 | 59 Ų | 59 | 22% | 0.217 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -3.1 | -167.5 | -67.9 | 0 | 0 | 0 | 0 | 114.4 | S338 L342 | S338-S340 PolarHBondContact O-N 3.49Å; S340-L342 VanDerWaalsContact C-N 3.34Å; S340-L342 PolarHBondContact O-N 2.91Å |
| 341 | G | 98.2 | Very high | 96.9 | Very high | 3 Ų | 3 | 59.2 Ų | 59.2 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | trans | 64 | 34.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | H409 S425 | G341-H409 PolarHBondContact O-NE2 3.03Å; G341-H409 VanDerWaalsContact O-NE2 3.15Å; G341-S425 WeakPolarHBondContact CA-O 3.29Å | ||
| 342 | L | 98.8 | Very high | 96.8 | Very high | 18 Ų | 18 | 60.7 Ų | 60.7 | 9% | 0.094 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -88.1 | 161.8 | -175 | -56 | 178.3 | 0 | 0 | 0 | 112.5 | D335 S340 N410 A413 R414 | D335-L342 HydrophobicContact CB-CB 4.13Å; D335-L342 PolarHBondContact N-O 2.57Å; S340-L342 VanDerWaalsContact C-N 3.34Å; S340-L342 PolarHBondContact O-N 2.91Å; L342-N410 HydrophobicContact CD2-CB 4.13Å; L342-A413 HydrophobicContact CD2-CB 3.83Å; L342-R414 HydrophobicContact CD2-CG 4.06Å |
| 343 | L | 98.8 | Very high | 96.8 | Very high | 6 Ų | 6 | 59.5 Ų | 59.5 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | B | Isolated β-bridge | trans | -85.7 | 147.5 | 160.2 | -68.9 | 172.9 | 0 | 0 | 0 | 110.1 | V322 Y323 L333 R334 V406 H409 N410 Y429 | V322-L343 HydrophobicContact CG1-CD1 3.56Å; Y323-L343 HydrophobicContact CD1-CD2 4.4Å; Y323-L343 HydrophobicContact CE1-CD1 4.09Å; L333-L343 HydrophobicContact CB-CD2 4.37Å; L333-L343 WeakPolarHBondContact O-CA 3.42Å; L333-L343 WeakPolarHBondContact O-CD2 3.48Å; R334-L343 HydrophobicContact CG-CD2 4.39Å; L343-V406 HydrophobicContact CB-CG1 4.24Å; L343-V406 HydrophobicContact CD1-CG1 4.35Å; L343-V406 HydrophobicContact CD1-CG2 4.1Å; L343-H409 HydrophobicContact CD1-CB 3.93Å; L343-N410 PolarHBondContact N-OD1 2.99Å; L343-N410 PolarHBondContact O-ND2 3.45Å; L343-Y429 HydrophobicContact CD2-CE2 3.97Å |
| 344 | R | 98.3 | Very high | 96.9 | Very high | 102 Ų | 102 | 63.2 Ų | 63.2 | 39% | 0.385 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 148.2 | 172.6 | -79.2 | 169.2 | 68.6 | -157.4 | 1.6 | 111 | N332 L333 R334 D335 P358 | N332-R344 WeakPolarHBondContact O-CD 3.3Å; N332-R344 PolarHBondContact O-NH1 3.35Å; N332-R344 PolarHBondContact OD1-NH1 3.06Å; L333-R344 PolarHBondContact O-N 3.47Å; R334-R344 WeakPolarHBondContact O-CD 3.41Å; R334-R344 VanDerWaalsContact O-CG 3.3Å; R334-R344 WeakPolarHBondContact O-CG 3.49Å; D335-R344 HydrophobicContact CB-CG 4.22Å; R344-P358 HydrophobicContact CB-CG 4.27Å; R344-P358 WeakPolarHBondContact O-CD 3.35Å |
| 345 | V | 98.1 | Very high | 96.9 | Very high | 34 Ų | 34 | 62.5 Ų | 62.5 | 21% | 0.206 | 33% | 0.332 | C | S | . | . | trans | -132.4 | 166.5 | -179.1 | -61.7 | 0 | 0 | 0 | 0 | 109.9 | T347 E355 L356 V406 N410 | V345-T347 PolarHBondContact O-N 3.42Å; V345-E355 HydrophobicContact CB-CB 4.07Å; V345-E355 HydrophobicContact CB-CG 4.13Å; V345-E355 HydrophobicContact CG1-CB 3.74Å; V345-E355 HydrophobicContact CG1-CG 3.78Å; V345-E355 HydrophobicContact CG2-CG 4.21Å; V345-L356 CarbonylContact C-O 3.27Å; V345-L356 WeakPolarHBondContact CA-O 3.49Å; V345-V406 HydrophobicContact CG1-CG1 4.45Å; V345-N410 WeakPolarHBondContact CG1-ND2 3.28Å | ||
| 346 | N | 97.8 | Very high | 96.9 | Very high | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.027 | 32% | 0.324 | C | S | . | . | trans | -61.4 | 132.1 | 175.5 | -152.6 | -78.5 | 0 | 0 | 0 | 111 | E348 F349 L356 L357 F359 | N346-E348 WeakPolarHBondContact OD1-CA 3.2Å; N346-E348 WeakPolarHBondContact OD1-CB 3.33Å; N346-E348 PolarHBondContact OD1-N 3.35Å; N346-F349 PolarHBondContact OD1-N 2.86Å; N346-L356 HydrophobicContact CB-CB 3.86Å; N346-L356 PolarHBondContact N-O 2.91Å; N346-L357 VanDerWaalsContact CB-O 3.29Å; N346-L357 WeakPolarHBondContact CB-O 3.25Å; N346-L357 PolarHBondContact ND2-O 3.42Å; N346-F359 WeakPolarHBondContact ND2-CD2 3.21Å; N346-F359 WeakPolarHBondContact ND2-CE2 3.48Å; N346-F359 WeakPolarHBondContact ND2-CZ 3.22Å | ||
| 347 | T | 95.6 | Very high | 97 | Very high | 137 Ų | 137 | 56.3 Ų | 56.3 | 84% | 0.84 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -95.2 | -14.6 | 177.5 | 51.1 | 0 | 0 | 0 | 0 | 112.7 | V345 | V345-T347 PolarHBondContact O-N 3.42Š|
| 348 | E | 95.6 | Very high | 97.1 | Very high | 104 Ų | 104 | 50.2 Ų | 50.2 | 49% | 0.486 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -98.8 | -34.8 | -174.7 | -62.5 | 173.9 | -140.4 | 0 | 0 | 112.7 | N346 F359 R380 | N346-E348 WeakPolarHBondContact OD1-CA 3.2Å; N346-E348 WeakPolarHBondContact OD1-CB 3.33Å; N346-E348 PolarHBondContact OD1-N 3.35Å; E348-F359 HydrophobicContact CB-CE2 4.44Å; E348-R380 IonicContact OE2-CZ 3.56Å; E348-R380 IonicContact OE2-NH2 2.7Å; E348-R380 PolarHBondContact OE2-NH2 3.49Å |
| 349 | F | 97.1 | Very high | 97.2 | Very high | 32 Ų | 32 | 49.8 Ų | 49.8 | 14% | 0.14 | 26% | 0.256 | C | S | . | . | trans | -131.8 | 145.2 | -173.8 | -61.8 | -79.8 | 0 | 0 | 0 | 112.3 | N346 L356 F359 R380 I525 F526 | N346-F349 PolarHBondContact OD1-N 2.86Å; F349-L356 HydrophobicContact CB-CD1 3.99Å; F349-F359 AromaticContact CD2-CE2 3.77Å; F349-F359 HydrophobicContact CD2-CE2 3.77Å; F349-F359 AromaticContact CD2-CZ 3.76Å; F349-F359 HydrophobicContact CD2-CZ 3.76Å; F349-F359 AromaticContact CE2-CE2 3.94Å; F349-F359 HydrophobicContact CE2-CE2 3.94Å; F349-F359 HydrophobicContact CE2-CZ 4.02Å; F349-R380 VanDerWaalsContact CZ-CZ 3.44Å; F349-I525 HydrophobicContact CB-CD1 4.41Å; F349-I525 HydrophobicContact CB-CG2 4.09Å; F349-I525 HydrophobicContact CD1-CG2 3.43Å; F349-I525 VanDerWaalsContact CD1-CG2 3.43Å; F349-I525 HydrophobicContact CD2-CD1 3.85Å; F349-I525 HydrophobicContact CD2-CG2 4.24Å; F349-I525 HydrophobicContact CE1-CG2 3.8Å; F349-I525 HydrophobicContact CE2-CD1 4.29Å; F349-I525 HydrophobicContact CG-CD1 4.12Å; F349-I525 HydrophobicContact CG-CG2 3.65Å; F349-I525 HydrophobicContact CZ-CG2 4.33Å; F349-F526 HydrophobicContact CE1-CE1 4.04Å; F349-F526 AromaticContact CE1-CZ 3.77Å; F349-F526 HydrophobicContact CE1-CZ 3.77Å; F349-F526 AromaticContact CZ-CZ 3.92Å; F349-F526 HydrophobicContact CZ-CZ 3.92Å | ||
| 350 | R | 97.8 | Very high | 96.8 | Very high | 154 Ų | 154 | 47.5 Ų | 47.5 | 58% | 0.581 | 24% | 0.242 | S | C | * | . | trans | -129.5 | 151.4 | 171.7 | -69.2 | -178.5 | 174 | -90.6 | -5.7 | 109.6 | G353 R354 | R350-G353 PolarHBondContact NH1-O 2.89Å; R350-G353 VanDerWaalsContact NH1-O 3.12Å; R350-R354 WeakPolarHBondContact CA-O 3.49Å; R350-R354 WeakPolarHBondContact CB-O 3.39Å | ||
| 351 | D | 97.9 | Very high | 95.7 | Very high | 7 Ų | 7 | 51.2 Ų | 51.2 | 4% | 0.037 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -103 | 97.3 | 174.5 | 164.3 | 23.4 | 0 | 0 | 0 | 108.4 | G353 R354 L356 R407 G529 I530 | D351-G353 VanDerWaalsContact C-N 3.29Å; D351-G353 PolarHBondContact O-N 3.33Å; D351-R354 PolarHBondContact N-O 3.38Å; D351-R354 WeakPolarHBondContact O-CA 3.43Å; D351-R354 VanDerWaalsContact O-CB 3.27Å; D351-R354 WeakPolarHBondContact O-CB 3.2Å; D351-R354 PolarHBondContact O-N 3.5Å; D351-L356 HydrophobicContact CB-CD1 4.42Å; D351-L356 HydrophobicContact CB-CD2 3.93Å; D351-L356 HydrophobicContact CB-CG 4.14Å; D351-R407 IonicContact OD2-CZ 3.11Å; D351-R407 IonicContact OD2-NH1 2.64Å; D351-R407 IonicContact OD2-NH2 3.48Å; D351-R407 PolarHBondContact OD2-NH2 3.12Å; D351-G529 WeakPolarHBondContact OD1-CA 3.47Å; D351-I530 PolarHBondContact OD2-N 3.45Å |
| 352 | N | 95.3 | Very high | 94.3 | Very high | 121 Ų | 121 | 56 Ų | 56 | 65% | 0.647 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 49.7 | -178.1 | -58.2 | -64 | 0 | 0 | 0 | 112.1 | R354 | N352-R354 PolarHBondContact O-N 3.36Å; N352-R354 PolarHBondContact O-NH1 3.36Å |
| 353 | G | 96.8 | Very high | 92.4 | Very high | 53 Ų | 53 | 63.3 Ų | 63.3 | 55% | 0.546 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | -15.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | R350 D351 | R350-G353 PolarHBondContact NH1-O 2.89Å; R350-G353 VanDerWaalsContact NH1-O 3.12Å; D351-G353 VanDerWaalsContact C-N 3.29Å; D351-G353 PolarHBondContact O-N 3.33Å |
| 354 | R | 98.4 | Very high | 90.8 | Very high | 88 Ų | 88 | 64.6 Ų | 64.6 | 33% | 0.332 | 33% | 0.334 | S | S | . | . | B | Isolated β-bridge | trans | -86.4 | 156.3 | -178.2 | -58.1 | 174.6 | 179.5 | 70.5 | -3.9 | 112.3 | R350 D351 N352 R407 T694 | R350-R354 WeakPolarHBondContact CA-O 3.49Å; R350-R354 WeakPolarHBondContact CB-O 3.39Å; D351-R354 PolarHBondContact N-O 3.38Å; D351-R354 WeakPolarHBondContact O-CA 3.43Å; D351-R354 VanDerWaalsContact O-CB 3.27Å; D351-R354 WeakPolarHBondContact O-CB 3.2Å; D351-R354 PolarHBondContact O-N 3.5Å; N352-R354 PolarHBondContact O-N 3.36Å; N352-R354 PolarHBondContact O-NH1 3.36Å; R354-R407 VanDerWaalsContact CB-CZ 3.48Å; R354-T694 PolarHBondContact NE-O 3.2Å; R354-T694 PolarHBondContact NH2-O 3.02Å |
| 355 | E | 98.4 | Very high | 89.3 | Confident | 20 Ų | 20 | 62.6 Ų | 62.6 | 9% | 0.093 | 33% | 0.329 | C | S | . | . | trans | -67.6 | 145.3 | -175.4 | -66.2 | 161 | -174.9 | 0 | 0 | 112.1 | V345 R407 N410 R414 | V345-E355 HydrophobicContact CB-CB 4.07Å; V345-E355 HydrophobicContact CB-CG 4.13Å; V345-E355 HydrophobicContact CG1-CB 3.74Å; V345-E355 HydrophobicContact CG1-CG 3.78Å; V345-E355 HydrophobicContact CG2-CG 4.21Å; E355-R407 HydrophobicContact CB-CG 4.32Å; E355-R407 VanDerWaalsContact O-CZ 3.26Å; E355-R407 PolarHBondContact O-NE 2.89Å; E355-R407 PolarHBondContact O-NH2 3.35Å; E355-N410 WeakPolarHBondContact OE2-CB 3.33Å; E355-N410 PolarHBondContact OE2-ND2 3.21Å; E355-R414 IonicContact OE1-CZ 3.23Å; E355-R414 IonicContact OE1-NH1 3.86Å; E355-R414 PolarHBondContact OE1-NH1 2.89Å; E355-R414 IonicContact OE1-NH2 3.19Å; E355-R414 PolarHBondContact OE1-NH2 3.02Å; E355-R414 IonicContact OE2-NH1 2.63Å | ||
| 356 | L | 98.7 | Very high | 88.3 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | trans | -116.1 | 163.8 | 166.8 | -71.3 | 173.8 | 0 | 0 | 0 | 109 | V345 N346 F349 D351 T403 V524 I525 | V345-L356 CarbonylContact C-O 3.27Å; V345-L356 WeakPolarHBondContact CA-O 3.49Å; N346-L356 HydrophobicContact CB-CB 3.86Å; N346-L356 PolarHBondContact N-O 2.91Å; F349-L356 HydrophobicContact CB-CD1 3.99Å; D351-L356 HydrophobicContact CB-CD1 4.42Å; D351-L356 HydrophobicContact CB-CD2 3.93Å; D351-L356 HydrophobicContact CB-CG 4.14Å; L356-T403 HydrophobicContact CD2-CG2 4.06Å; L356-V524 HydrophobicContact CD2-CG1 3.92Å; L356-I525 HydrophobicContact CD1-CG1 4.2Å | ||
| 357 | L | 98.4 | Very high | 87.7 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 146.3 | 174.4 | -61.4 | 170.2 | 0 | 0 | 0 | 110.8 | N346 F385 V392 T399 H402 V406 | N346-L357 VanDerWaalsContact CB-O 3.29Å; N346-L357 WeakPolarHBondContact CB-O 3.25Å; N346-L357 PolarHBondContact ND2-O 3.42Å; L357-F385 HydrophobicContact CB-CB 3.9Å; L357-F385 HydrophobicContact CB-CD1 3.64Å; L357-F385 HydrophobicContact CB-CE1 4.28Å; L357-F385 HydrophobicContact CB-CG 3.82Å; L357-F385 HydrophobicContact CD1-CB 4.08Å; L357-F385 HydrophobicContact CD1-CG 4.28Å; L357-F385 WeakPolarHBondContact O-CD1 3.18Å; L357-F385 WeakPolarHBondContact O-CE1 3.32Å; L357-V392 HydrophobicContact CD1-CG2 3.6Å; L357-T399 HydrophobicContact CD1-CG2 4.35Å; L357-H402 HydrophobicContact CD1-CB 3.75Å; L357-V406 HydrophobicContact CD2-CB 3.91Å; L357-V406 HydrophobicContact CD2-CG1 4.35Å; L357-V406 HydrophobicContact CD2-CG2 3.43Å; L357-V406 VanDerWaalsContact CD2-CG2 3.43Å |
| 358 | P | 96.9 | Very high | 87.2 | Confident | 8 Ų | 8 | 56.6 Ų | 56.6 | 5% | 0.052 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 155.2 | 173.2 | 26.2 | -29.8 | 0 | 0 | 0 | 110.6 | R344 F385 I386 | R344-P358 HydrophobicContact CB-CG 4.27Å; R344-P358 WeakPolarHBondContact O-CD 3.35Å; P358-F385 CarbonylContact O-C 3.54Å; P358-F385 WeakPolarHBondContact O-CA 3.21Å; P358-I386 HydrophobicContact CB-CG2 4.12Å; P358-I386 HydrophobicContact CG-CG2 3.73Å; P358-I386 PolarHBondContact O-N 2.99Å |
| 359 | F | 94.1 | Very high | 86.7 | Confident | 28 Ų | 28 | 52.4 Ų | 52.4 | 12% | 0.123 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -78.8 | 150.2 | 171.8 | -67.6 | -50.1 | 0 | 0 | 0 | 111.6 | N346 E348 F349 V382 P383 F385 I525 | N346-F359 WeakPolarHBondContact ND2-CD2 3.21Å; N346-F359 WeakPolarHBondContact ND2-CE2 3.48Å; N346-F359 WeakPolarHBondContact ND2-CZ 3.22Å; E348-F359 HydrophobicContact CB-CE2 4.44Å; F349-F359 AromaticContact CD2-CE2 3.77Å; F349-F359 HydrophobicContact CD2-CE2 3.77Å; F349-F359 AromaticContact CD2-CZ 3.76Å; F349-F359 HydrophobicContact CD2-CZ 3.76Å; F349-F359 AromaticContact CE2-CE2 3.94Å; F349-F359 HydrophobicContact CE2-CE2 3.94Å; F349-F359 HydrophobicContact CE2-CZ 4.02Å; F359-V382 HydrophobicContact CE1-CG1 3.54Å; F359-V382 HydrophobicContact CZ-CG1 3.82Å; F359-P383 HydrophobicContact CB-CB 4.11Å; F359-P383 HydrophobicContact CB-CG 4.37Å; F359-P383 HydrophobicContact CD1-CB 4.05Å; F359-P383 HydrophobicContact CD1-CG 4.34Å; F359-P383 WeakPolarHBondContact CD1-O 3.15Å; F359-P383 HydrophobicContact CD2-CG 4.36Å; F359-P383 HydrophobicContact CG-CB 4.1Å; F359-P383 HydrophobicContact CG-CG 4.12Å; F359-F385 AromaticContact CD1-CD1 3.78Å; F359-F385 HydrophobicContact CD1-CD1 3.78Å; F359-F385 AromaticContact CD1-CE1 3.92Å; F359-F385 HydrophobicContact CD1-CE1 3.92Å; F359-F385 AromaticContact CE1-CD1 3.83Å; F359-F385 HydrophobicContact CE1-CD1 3.83Å; F359-F385 AromaticContact CE1-CE1 3.49Å; F359-F385 HydrophobicContact CE1-CE1 3.49Å; F359-F385 VanDerWaalsContact CE1-CE1 3.49Å; F359-F385 HydrophobicContact CE1-CZ 4.14Å; F359-F385 HydrophobicContact CZ-CE1 4.29Å; F359-I525 HydrophobicContact CE1-CD1 3.91Å; F359-I525 HydrophobicContact CZ-CD1 3.52Å |
| 360 | H | 86.4 | Confident | 86.3 | Confident | 43 Ų | 43 | 53 Ų | 53 | 20% | 0.199 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 135.8 | 167.7 | -164.6 | -75.3 | 0 | 0 | 0 | 110 | L362 C384 I386 | H360-L362 VanDerWaalsContact C-N 3.31Å; H360-L362 WeakPolarHBondContact ND1-CB 3.47Å; H360-L362 PolarHBondContact ND1-N 3.33Å; H360-L362 VanDerWaalsContact ND1-N 3.11Å; H360-L362 PolarHBondContact O-N 2.84Å; H360-C384 PolarHBondContact N-O 3.37Å; H360-I386 HydrophobicContact CB-CB 4.23Å |
| 361 | S | 73 | Confident | 85.9 | Confident | 109 Ų | 109 | 51.7 Ų | 51.7 | 76% | 0.762 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -66.1 | -31.9 | -176.5 | 55.3 | 0 | 0 | 0 | 0 | 113.5 | Q363 | S361-Q363 PolarHBondContact O-N 2.94Š|
| 362 | L | 67.8 | Low | 85.2 | Confident | 105 Ų | 105 | 57.7 Ų | 57.7 | 55% | 0.55 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -76.1 | 119.5 | 169.7 | -59.6 | 175.1 | 0 | 0 | 0 | 110.1 | H360 V364 | H360-L362 VanDerWaalsContact C-N 3.31Å; H360-L362 WeakPolarHBondContact ND1-CB 3.47Å; H360-L362 PolarHBondContact ND1-N 3.33Å; H360-L362 VanDerWaalsContact ND1-N 3.11Å; H360-L362 PolarHBondContact O-N 2.84Å; L362-V364 HydrophobicContact CB-CG2 4.03Å; L362-V364 PolarHBondContact O-N 2.87Å |
| 363 | Q | 59.5 | Low | 84.6 | Confident | 171 Ų | 171 | 54 Ų | 54 | 80% | 0.799 | 28% | 0.277 | S | S | * | . | trans | -69.8 | 80.6 | 167.6 | -69.6 | -177.7 | -8.7 | 0 | 0 | 109.7 | S361 | S361-Q363 PolarHBondContact O-N 2.94Š| ||
| 364 | V | 64 | Low | 84.2 | Confident | 33 Ų | 33 | 54.1 Ų | 54.1 | 20% | 0.2 | 27% | 0.267 | C | S | . | . | trans | -82.5 | 123.2 | 171.8 | -174.4 | 0 | 0 | 0 | 0 | 107.8 | V56 L362 M366 | V56-V364 HydrophobicContact CB-CG1 4.01Å; V56-V364 HydrophobicContact CG1-CG1 4.09Å; V56-V364 HydrophobicContact CG2-CG1 4.1Å; L362-V364 HydrophobicContact CB-CG2 4.03Å; L362-V364 PolarHBondContact O-N 2.87Å; V364-M366 HydrophobicContact CG1-CB 3.83Å; V364-M366 PolarHBondContact O-N 3.47Å; V364-M366 VanDerWaalsContact O-N 3.07Å | ||
| 365 | Q | 67.2 | Low | 83.7 | Confident | 60 Ų | 60 | 57.3 Ų | 57.3 | 28% | 0.28 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -3.9 | -178.2 | -64.6 | 178.3 | -5.5 | 0 | 0 | 114.1 | V56 R57 K58 C367 A368 | V56-Q365 WeakPolarHBondContact O-CB 3.11Å; V56-Q365 VanDerWaalsContact O-CD 3.3Å; V56-Q365 WeakPolarHBondContact O-CG 3.48Å; V56-Q365 PolarHBondContact O-N 3.48Å; V56-Q365 PolarHBondContact O-OE1 3.12Å; R57-Q365 VanDerWaalsContact C-OE1 3.22Å; R57-Q365 PolarHBondContact O-NE2 3.35Å; R57-Q365 PolarHBondContact O-OE1 3.03Å; K58-Q365 PolarHBondContact O-OE1 3.48Å; Q365-C367 PolarHBondContact O-N 2.9Å; Q365-C367 VanDerWaalsContact O-N 3.13Å; Q365-A368 HydrophobicContact CB-CB 4.17Å; Q365-A368 HydrophobicContact CG-CB 4.48Å; Q365-A368 WeakPolarHBondContact O-CB 3.31Å; Q365-A368 PolarHBondContact O-N 2.84Å |
| 366 | M | 77.2 | Confident | 83.4 | Confident | 19 Ų | 19 | 59.8 Ų | 59.8 | 9% | 0.094 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -34.6 | 178.4 | -173.3 | 178.2 | 67.2 | 0 | 0 | 113.2 | A66 V364 F519 | A66-M366 HydrophobicContact CB-CG 4.22Å; A66-M366 HydrophobicContact CB-SD 3.87Å; V364-M366 HydrophobicContact CG1-CB 3.83Å; V364-M366 PolarHBondContact O-N 3.47Å; V364-M366 VanDerWaalsContact O-N 3.07Å; M366-F519 HydrophobicContact CE-CD1 3.44Å; M366-F519 VanDerWaalsContact CE-CD1 3.44Å; M366-F519 HydrophobicContact CE-CE1 3.41Å; M366-F519 VanDerWaalsContact CE-CE1 3.41Å; M366-F519 HydrophobicContact CE-CG 4.31Å; M366-F519 HydrophobicContact CE-CZ 4.27Å; M366-F519 HydrophobicContact CG-CB 4.29Å; M366-F519 HydrophobicContact CG-CD1 4.04Å; M366-F519 HydrophobicContact CG-CD2 4.33Å; M366-F519 HydrophobicContact CG-CE1 4.43Å; M366-F519 HydrophobicContact CG-CG 3.96Å; M366-F519 HydrophobicContact SD-CD1 3.83Å; M366-F519 HydrophobicContact SD-CE1 3.64Å; M366-F519 HydrophobicContact SD-CE2 4.35Å; M366-F519 HydrophobicContact SD-CG 4.24Å; M366-F519 HydrophobicContact SD-CZ 3.91Å |
| 367 | C | 85.1 | Confident | 82.9 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -96.5 | -12.1 | 175.4 | -64.1 | 0 | 0 | 0 | 0 | 113.9 | Q365 T369 V382 C384 F519 P521 | Q365-C367 PolarHBondContact O-N 2.9Å; Q365-C367 VanDerWaalsContact O-N 3.13Å; C367-T369 PolarHBondContact O-N 3.27Å; C367-T369 PolarHBondContact O-OG1 3.28Å; C367-V382 CarbonylContact C-O 3.59Å; C367-C384 HydrophobicContact CB-CB 3.98Å; C367-C384 WeakPolarHBondContact CB-SG 3.38Å; C367-C384 WeakPolarHBondContact SG-CA 3.41Å; C367-C384 WeakPolarHBondContact SG-CB 3.4Å; C367-C384 CovalentContact SG-SG 2.04Å; C367-C384 PolarHBondContact SG-SG 2.8Å; C367-F519 WeakPolarHBondContact CA-O 3.36Å; C367-P521 HydrophobicContact CB-CG 3.6Å |
| 368 | A | 84.8 | Confident | 82.6 | Confident | 31 Ų | 31 | 72 Ų | 72 | 26% | 0.256 | 37% | 0.374 | S | S | . | . | trans | -78 | 64 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q365 E381 | Q365-A368 HydrophobicContact CB-CB 4.17Å; Q365-A368 HydrophobicContact CG-CB 4.48Å; Q365-A368 WeakPolarHBondContact O-CB 3.31Å; Q365-A368 PolarHBondContact O-N 2.84Å; A368-E381 WeakPolarHBondContact CA-OE2 3.4Å; A368-E381 HydrophobicContact CB-CB 3.99Å; A368-E381 HydrophobicContact CB-CG 3.99Å | ||
| 369 | T | 85.1 | Confident | 82.4 | Confident | 16 Ų | 16 | 71.8 Ų | 71.8 | 10% | 0.098 | 37% | 0.373 | C | S | . | . | trans | -108.3 | -7.3 | -172.9 | 56.6 | 0 | 0 | 0 | 0 | 112.6 | C367 R371 R372 V373 E381 W522 V563 | C367-T369 PolarHBondContact O-N 3.27Å; C367-T369 PolarHBondContact O-OG1 3.28Å; T369-R371 PolarHBondContact O-N 3.14Å; T369-R372 PolarHBondContact O-N 3.04Å; T369-V373 VanDerWaalsContact O-CB 3.31Å; T369-V373 WeakPolarHBondContact O-CB 3.35Å; T369-V373 WeakPolarHBondContact O-CG2 3.19Å; T369-V373 PolarHBondContact O-N 3.14Å; T369-E381 PolarHBondContact N-OE2 2.86Å; T369-W522 PolarHBondContact OG1-NE1 2.92Å; T369-V563 HydrophobicContact CG2-CG1 3.9Å | ||
| 370 | R | 89.1 | Confident | 82.2 | Confident | 45 Ų | 45 | 76.5 Ų | 76.5 | 17% | 0.17 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -67.3 | -45.3 | -164.3 | -172.6 | -176.3 | 177.4 | -142.5 | -1.2 | 112.4 | R372 V373 T374 A379 R380 E381 W522 | R370-R372 VanDerWaalsContact C-N 3.34Å; R370-R372 PolarHBondContact O-N 2.98Å; R370-V373 PolarHBondContact O-N 3.29Å; R370-T374 HydrophobicContact CG-CG2 4.12Å; R370-T374 WeakPolarHBondContact O-CB 3.37Å; R370-T374 WeakPolarHBondContact O-CG2 3.28Å; R370-T374 PolarHBondContact O-N 2.73Å; R370-T374 PolarHBondContact O-OG1 2.96Å; R370-A379 HydrophobicContact CG-CB 4.15Å; R370-R380 WeakPolarHBondContact CD-O 3.34Å; R370-R380 PolarHBondContact NH1-O 3.24Å; R370-R380 VanDerWaalsContact NH1-O 3.07Å; R370-E381 WeakPolarHBondContact CB-OE2 3.23Å; R370-E381 PolarHBondContact N-OE1 2.83Å; R370-E381 PolarHBondContact N-OE2 3.07Å; R370-W522 HydrophobicContact CB-CB 4.19Å; R370-W522 HydrophobicContact CB-CD2 3.92Å; R370-W522 HydrophobicContact CB-CG 3.72Å; R370-W522 HydrophobicContact CG-CB 4.32Å; R370-W522 HydrophobicContact CG-CD2 3.6Å; R370-W522 HydrophobicContact CG-CE3 3.75Å; R370-W522 HydrophobicContact CG-CG 3.87Å; R370-W522 HydrophobicContact CG-CZ3 4.26Å |
| 371 | R | 88.8 | Confident | 82.3 | Confident | 125 Ų | 125 | 76.3 Ų | 76.3 | 47% | 0.472 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.7 | -49.4 | -179.1 | -70.2 | 170.5 | 178.8 | 170.9 | -2.3 | 110.7 | T369 V373 N375 N376 T377 A379 E381 | T369-R371 PolarHBondContact O-N 3.14Å; R371-V373 PolarHBondContact O-N 3.44Å; R371-N375 WeakPolarHBondContact O-CA 3.42Å; R371-N375 PolarHBondContact O-N 3Å; R371-N376 WeakPolarHBondContact CA-O 3.38Å; R371-N376 WeakPolarHBondContact CB-O 3.49Å; R371-N376 WeakPolarHBondContact CG-O 3.27Å; R371-N376 PolarHBondContact O-N 3.01Å; R371-N376 VanDerWaalsContact O-N 3.07Å; R371-T377 PolarHBondContact NE-O 3.29Å; R371-A379 HydrophobicContact CG-CB 4.02Å; R371-A379 WeakPolarHBondContact CG-O 2.88Å; R371-A379 PolarHBondContact NE-O 2.77Å; R371-E381 WeakPolarHBondContact CB-OE1 3.34Å; R371-E381 HydrophobicContact CG-CG 4.14Å; R371-E381 WeakPolarHBondContact CG-OE1 3.37Å; R371-E381 PolarHBondContact N-OE1 2.57Å |
| 372 | R | 83.8 | Confident | 83.2 | Confident | 134 Ų | 134 | 71.2 Ų | 71.2 | 51% | 0.506 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.9 | -46.6 | 177.4 | -176.4 | -178.5 | 176.7 | -164.5 | 0.7 | 111.5 | T369 R370 N375 V563 | T369-R372 PolarHBondContact O-N 3.04Å; R370-R372 VanDerWaalsContact C-N 3.34Å; R370-R372 PolarHBondContact O-N 2.98Å; R372-N375 PolarHBondContact O-N 2.87Å; R372-V563 PolarHBondContact NH1-O 2.89Å |
| 373 | V | 84.1 | Confident | 84.2 | Confident | 44 Ų | 44 | 67.6 Ų | 67.6 | 27% | 0.267 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -71.9 | -37.3 | -174.6 | 169 | 0 | 0 | 0 | 0 | 113 | T369 R370 R371 N375 W522 F562 | T369-V373 VanDerWaalsContact O-CB 3.31Å; T369-V373 WeakPolarHBondContact O-CB 3.35Å; T369-V373 WeakPolarHBondContact O-CG2 3.19Å; T369-V373 PolarHBondContact O-N 3.14Å; R370-V373 PolarHBondContact O-N 3.29Å; R371-V373 PolarHBondContact O-N 3.44Å; V373-N375 VanDerWaalsContact C-N 3.32Å; V373-W522 HydrophobicContact CB-CZ2 4.16Å; V373-W522 HydrophobicContact CG1-CH2 4.32Å; V373-W522 HydrophobicContact CG1-CZ2 3.63Å; V373-F562 HydrophobicContact CB-CE1 4.4Å; V373-F562 HydrophobicContact CB-CZ 3.98Å; V373-F562 HydrophobicContact CG1-CE1 4.17Å; V373-F562 HydrophobicContact CG1-CZ 3.52Å; V373-F562 HydrophobicContact CG2-CD1 4.37Å; V373-F562 HydrophobicContact CG2-CE1 3.34Å; V373-F562 HydrophobicContact CG2-CE2 4.1Å; V373-F562 HydrophobicContact CG2-CZ 3.21Å |
| 374 | T | 87.7 | Confident | 85.7 | Confident | 55 Ų | 55 | 60 Ų | 60 | 34% | 0.337 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -89.2 | -2.7 | -180 | 59.4 | 0 | 0 | 0 | 0 | 112.9 | R370 N376 W522 | R370-T374 HydrophobicContact CG-CG2 4.12Å; R370-T374 WeakPolarHBondContact O-CB 3.37Å; R370-T374 WeakPolarHBondContact O-CG2 3.28Å; R370-T374 PolarHBondContact O-N 2.73Å; R370-T374 PolarHBondContact O-OG1 2.96Å; T374-N376 PolarHBondContact O-N 3.36Å; T374-W522 HydrophobicContact CG2-CH2 3.75Å; T374-W522 HydrophobicContact CG2-CZ2 4.3Å; T374-W522 HydrophobicContact CG2-CZ3 4.13Å |
| 375 | N | 88.3 | Confident | 87.2 | Confident | 155 Ų | 155 | 58.7 Ų | 58.7 | 83% | 0.829 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 39.5 | -171.4 | -162.6 | 33.5 | 0 | 0 | 0 | 112.4 | R371 R372 V373 | R371-N375 WeakPolarHBondContact O-CA 3.42Å; R371-N375 PolarHBondContact O-N 3Å; R372-N375 PolarHBondContact O-N 2.87Å; V373-N375 VanDerWaalsContact C-N 3.32Å |
| 376 | N | 90.8 | Very high | 88.6 | Confident | 72 Ų | 72 | 56.8 Ų | 56.8 | 39% | 0.385 | 29% | 0.285 | S | S | . | . | trans | -129.5 | 101.4 | -177.9 | 179.2 | -1.7 | 0 | 0 | 0 | 109.2 | R371 T374 N378 A379 | R371-N376 WeakPolarHBondContact CA-O 3.38Å; R371-N376 WeakPolarHBondContact CB-O 3.49Å; R371-N376 WeakPolarHBondContact CG-O 3.27Å; R371-N376 PolarHBondContact O-N 3.01Å; R371-N376 VanDerWaalsContact O-N 3.07Å; T374-N376 PolarHBondContact O-N 3.36Å; N376-N378 PolarHBondContact O-N 3.45Å; N376-N378 WeakPolarHBondContact OD1-CB 3.4Å; N376-N378 PolarHBondContact OD1-N 2.82Å; N376-A379 HydrophobicContact CB-CB 4.2Å; N376-A379 VanDerWaalsContact O-CB 3.24Å; N376-A379 WeakPolarHBondContact O-CB 3.48Å; N376-A379 PolarHBondContact O-N 3.1Å; N376-A379 PolarHBondContact OD1-N 3.12Å | ||
| 377 | T | 88.6 | Confident | 89.5 | Confident | 114 Ų | 114 | 56.2 Ų | 56.2 | 70% | 0.699 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -24.6 | -179.5 | 51.2 | 0 | 0 | 0 | 0 | 113.1 | R371 A379 | R371-T377 PolarHBondContact NE-O 3.29Å; T377-A379 VanDerWaalsContact C-N 3.33Å |
| 378 | N | 92.4 | Very high | 90.1 | Very high | 145 Ų | 145 | 56.4 Ų | 56.4 | 78% | 0.775 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -3.8 | 177.6 | -62.1 | -37 | 0 | 0 | 0 | 113 | N376 R380 | N376-N378 PolarHBondContact O-N 3.45Å; N376-N378 WeakPolarHBondContact OD1-CB 3.4Å; N376-N378 PolarHBondContact OD1-N 2.82Å; N378-R380 PolarHBondContact O-N 2.8Å |
| 379 | A | 92.1 | Very high | 90.6 | Very high | 4 Ų | 4 | 55.1 Ų | 55.1 | 3% | 0.033 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -64.7 | 134.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | R370 R371 N376 T377 E381 | R370-A379 HydrophobicContact CG-CB 4.15Å; R371-A379 HydrophobicContact CG-CB 4.02Å; R371-A379 WeakPolarHBondContact CG-O 2.88Å; R371-A379 PolarHBondContact NE-O 2.77Å; N376-A379 HydrophobicContact CB-CB 4.2Å; N376-A379 VanDerWaalsContact O-CB 3.24Å; N376-A379 WeakPolarHBondContact O-CB 3.48Å; N376-A379 PolarHBondContact O-N 3.1Å; N376-A379 PolarHBondContact OD1-N 3.12Å; T377-A379 VanDerWaalsContact C-N 3.33Å; A379-E381 PolarHBondContact O-N 2.89Å |
| 380 | R | 90.9 | Very high | 90.8 | Very high | 126 Ų | 126 | 55.9 Ų | 55.9 | 48% | 0.475 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 122.6 | 171.6 | 178.6 | 173.4 | 178.2 | 176.6 | 4.6 | 109.9 | E348 F349 R370 N378 | E348-R380 IonicContact OE2-CZ 3.56Å; E348-R380 IonicContact OE2-NH2 2.7Å; E348-R380 PolarHBondContact OE2-NH2 3.49Å; F349-R380 VanDerWaalsContact CZ-CZ 3.44Å; R370-R380 WeakPolarHBondContact CD-O 3.34Å; R370-R380 PolarHBondContact NH1-O 3.24Å; R370-R380 VanDerWaalsContact NH1-O 3.07Å; N378-R380 PolarHBondContact O-N 2.8Å |
| 381 | E | 89.3 | Confident | 91 | Very high | 40 Ų | 40 | 54 Ų | 54 | 19% | 0.187 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 154.5 | 172.5 | -71.8 | -61.1 | 167.2 | 0 | 0 | 112 | A368 T369 R370 R371 A379 | A368-E381 WeakPolarHBondContact CA-OE2 3.4Å; A368-E381 HydrophobicContact CB-CB 3.99Å; A368-E381 HydrophobicContact CB-CG 3.99Å; T369-E381 PolarHBondContact N-OE2 2.86Å; R370-E381 WeakPolarHBondContact CB-OE2 3.23Å; R370-E381 PolarHBondContact N-OE1 2.83Å; R370-E381 PolarHBondContact N-OE2 3.07Å; R371-E381 WeakPolarHBondContact CB-OE1 3.34Å; R371-E381 HydrophobicContact CG-CG 4.14Å; R371-E381 WeakPolarHBondContact CG-OE1 3.37Å; R371-E381 PolarHBondContact N-OE1 2.57Å; A379-E381 PolarHBondContact O-N 2.89Å |
| 382 | V | 90.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | trans | -122.8 | 122.3 | -176.8 | 178.8 | 0 | 0 | 0 | 0 | 109.1 | F359 C367 P521 W522 I525 F526 | F359-V382 HydrophobicContact CE1-CG1 3.54Å; F359-V382 HydrophobicContact CZ-CG1 3.82Å; C367-V382 CarbonylContact C-O 3.59Å; V382-P521 HydrophobicContact CG1-CB 4.29Å; V382-P521 HydrophobicContact CG1-CG 4.12Å; V382-W522 HydrophobicContact CB-CB 3.73Å; V382-W522 HydrophobicContact CG1-CB 4.42Å; V382-W522 HydrophobicContact CG2-CB 3.44Å; V382-W522 VanDerWaalsContact CG2-CB 3.44Å; V382-I525 HydrophobicContact CB-CD1 4.49Å; V382-I525 HydrophobicContact CG1-CD1 3.47Å; V382-I525 VanDerWaalsContact CG1-CD1 3.47Å; V382-I525 HydrophobicContact CG1-CG1 4.5Å; V382-I525 HydrophobicContact CG2-CD1 4.14Å; V382-F526 HydrophobicContact CG2-CD2 4.2Å; V382-F526 HydrophobicContact CG2-CE2 3.56Å | ||
| 383 | P | 90.3 | Very high | 91.7 | Very high | 29 Ų | 29 | 42.2 Ų | 42.2 | 19% | 0.188 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -63 | 162.6 | 172.4 | -19.7 | 32.1 | 0 | 0 | 0 | 112 | F359 | F359-P383 HydrophobicContact CB-CB 4.11Å; F359-P383 HydrophobicContact CB-CG 4.37Å; F359-P383 HydrophobicContact CD1-CB 4.05Å; F359-P383 HydrophobicContact CD1-CG 4.34Å; F359-P383 WeakPolarHBondContact CD1-O 3.15Å; F359-P383 HydrophobicContact CD2-CG 4.36Å; F359-P383 HydrophobicContact CG-CB 4.1Å; F359-P383 HydrophobicContact CG-CG 4.12Å |
| 384 | C | 90.5 | Very high | 92.1 | Very high | 13 Ų | 13 | 41.9 Ų | 41.9 | 9% | 0.088 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -62 | 146.1 | 167.9 | -59 | 0 | 0 | 0 | 0 | 110.4 | H360 C367 D393 | H360-C384 PolarHBondContact N-O 3.37Å; C367-C384 HydrophobicContact CB-CB 3.98Å; C367-C384 WeakPolarHBondContact CB-SG 3.38Å; C367-C384 WeakPolarHBondContact SG-CA 3.41Å; C367-C384 WeakPolarHBondContact SG-CB 3.4Å; C367-C384 CovalentContact SG-SG 2.04Å; C367-C384 PolarHBondContact SG-SG 2.8Å; C384-D393 WeakPolarHBondContact CA-OD2 3.24Å; C384-D393 VanDerWaalsContact CB-OD2 3.23Å; C384-D393 WeakPolarHBondContact CB-OD2 3.39Å |
| 385 | F | 95.3 | Very high | 92.4 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 2% | 0.022 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -69.9 | 158.9 | 167.8 | -69.2 | -59.8 | 0 | 0 | 0 | 110.8 | L357 P358 F359 V392 D393 T399 P521 I525 | L357-F385 HydrophobicContact CB-CB 3.9Å; L357-F385 HydrophobicContact CB-CD1 3.64Å; L357-F385 HydrophobicContact CB-CE1 4.28Å; L357-F385 HydrophobicContact CB-CG 3.82Å; L357-F385 HydrophobicContact CD1-CB 4.08Å; L357-F385 HydrophobicContact CD1-CG 4.28Å; L357-F385 WeakPolarHBondContact O-CD1 3.18Å; L357-F385 WeakPolarHBondContact O-CE1 3.32Å; P358-F385 CarbonylContact O-C 3.54Å; P358-F385 WeakPolarHBondContact O-CA 3.21Å; F359-F385 AromaticContact CD1-CD1 3.78Å; F359-F385 HydrophobicContact CD1-CD1 3.78Å; F359-F385 AromaticContact CD1-CE1 3.92Å; F359-F385 HydrophobicContact CD1-CE1 3.92Å; F359-F385 AromaticContact CE1-CD1 3.83Å; F359-F385 HydrophobicContact CE1-CD1 3.83Å; F359-F385 AromaticContact CE1-CE1 3.49Å; F359-F385 HydrophobicContact CE1-CE1 3.49Å; F359-F385 VanDerWaalsContact CE1-CE1 3.49Å; F359-F385 HydrophobicContact CE1-CZ 4.14Å; F359-F385 HydrophobicContact CZ-CE1 4.29Å; F385-V392 HydrophobicContact CB-CG1 4.41Å; F385-V392 HydrophobicContact CB-CG2 4.46Å; F385-V392 WeakPolarHBondContact O-CG1 3.36Å; F385-D393 WeakPolarHBondContact CD2-OD1 3.01Å; F385-D393 PolarHBondContact N-OD2 3.42Å; F385-T399 HydrophobicContact CD2-CG2 3.41Å; F385-T399 VanDerWaalsContact CD2-CG2 3.41Å; F385-T399 HydrophobicContact CE2-CG2 3.68Å; F385-T399 HydrophobicContact CG-CG2 4.49Å; F385-P521 HydrophobicContact CD2-CB 3.66Å; F385-P521 HydrophobicContact CE2-CB 3.54Å; F385-P521 HydrophobicContact CZ-CB 4.44Å; F385-I525 HydrophobicContact CZ-CD1 4.08Å; F385-I525 HydrophobicContact CZ-CG1 4.11Å |
| 386 | I | 95.4 | Very high | 92.8 | Very high | 20 Ų | 20 | 32.1 Ų | 32.1 | 10% | 0.103 | 18% | 0.176 | C | C | . | . | trans | -116.9 | 136 | 169.3 | -168.9 | 175.9 | 0 | 0 | 0 | 109.7 | L329 L333 P358 H360 | L329-I386 HydrophobicContact CD1-CD1 4.07Å; L329-I386 HydrophobicContact CD1-CG1 4.43Å; L333-I386 HydrophobicContact CD2-CG1 4.23Å; L333-I386 HydrophobicContact CD2-CG2 4.36Å; P358-I386 HydrophobicContact CB-CG2 4.12Å; P358-I386 HydrophobicContact CG-CG2 3.73Å; P358-I386 PolarHBondContact O-N 2.99Å; H360-I386 HydrophobicContact CB-CB 4.23Å | ||
| 387 | A | 96.8 | Very high | 93.1 | Very high | 6 Ų | 6 | 28.7 Ų | 28.7 | 5% | 0.05 | 16% | 0.157 | C | C | . | . | trans | -145 | -174.5 | 176 | 0 | 0 | 0 | 0 | 0 | 109.4 | D389 V392 | A387-D389 VanDerWaalsContact C-N 3.26Å; A387-D389 PolarHBondContact O-N 2.78Å; A387-V392 HydrophobicContact CB-CB 3.96Å; A387-V392 HydrophobicContact CB-CG1 4.28Å; A387-V392 HydrophobicContact CB-CG2 3.93Å | ||
| 388 | G | 96.9 | Very high | 93.5 | Very high | 5 Ų | 5 | 23.2 Ų | 23.2 | 5% | 0.052 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -63.4 | -29.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | G320 Q321 G324 L329 | G320-G388 CarbonylContact O-C 3.3Å; G320-G388 VanDerWaalsContact O-C 3.22Å; G320-G388 VanDerWaalsContact O-CA 3.27Å; G320-G388 WeakPolarHBondContact O-CA 3.43Å; Q321-G388 WeakPolarHBondContact O-CA 3.27Å; Q321-G388 PolarHBondContact O-N 3.41Å; G324-G388 WeakPolarHBondContact CA-O 3.32Å; G324-G388 VanDerWaalsContact N-CA 3.33Å; L329-G388 WeakPolarHBondContact CD2-O 3.38Å |
| 389 | D | 95.4 | Very high | 93.8 | Very high | 4 Ų | 4 | 16.4 Ų | 16.4 | 2% | 0.021 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -111.4 | 137.8 | 173.2 | -178.1 | -89.7 | 0 | 0 | 0 | 111.8 | H232 Q321 A387 R391 V392 | H232-D389 IonicContact ND1-OD1 3.38Å; Q321-D389 HydrophobicContact CB-CB 4.24Å; Q321-D389 HydrophobicContact CG-CB 4.45Å; Q321-D389 PolarHBondContact O-N 3.11Å; A387-D389 VanDerWaalsContact C-N 3.26Å; A387-D389 PolarHBondContact O-N 2.78Å; D389-R391 PolarHBondContact O-N 3.33Å; D389-R391 WeakPolarHBondContact OD1-CA 3.35Å; D389-R391 WeakPolarHBondContact OD1-CB 3.46Å; D389-R391 WeakPolarHBondContact OD1-CG 3.25Å; D389-R391 IonicContact OD1-CZ 3.15Å; D389-R391 PolarHBondContact OD1-N 2.97Å; D389-R391 IonicContact OD1-NE 3.72Å; D389-R391 PolarHBondContact OD1-NE 3.24Å; D389-R391 IonicContact OD1-NH2 3.4Å; D389-R391 IonicContact OD2-CZ 3.67Å; D389-R391 IonicContact OD2-NE 2.67Å; D389-R391 PolarHBondContact OD2-NE 2.79Å; D389-R391 VanDerWaalsContact OD2-NE 3.16Å; D389-R391 IonicContact OD2-NH2 3.38Å; D389-R391 PolarHBondContact OD2-NH2 3.34Å; D389-V392 PolarHBondContact O-N 3.1Å |
| 390 | G | 90.6 | Very high | 94.1 | Very high | 31 Ų | 31 | 16.2 Ų | 16.2 | 32% | 0.32 | 9% | 0.086 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -5.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 391 | R | 93.2 | Very high | 94.5 | Very high | 6 Ų | 6 | 10.3 Ų | 10.3 | 2% | 0.023 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 12.6 | -179.4 | -53 | 163.7 | -81.3 | -173.2 | -11.9 | 113.4 | L70 D231 H232 S235 F236 D389 D393 E394 L398 | L70-R391 HydrophobicContact CD1-CB 3.89Å; L70-R391 HydrophobicContact CD1-CG 3.65Å; L70-R391 HydrophobicContact CD2-CG 4.34Å; L70-R391 HydrophobicContact CG-CG 3.93Å; D231-R391 IonicContact OD1-NH1 2.75Å; D231-R391 PolarHBondContact OD1-NH1 3.08Å; H232-R391 PolarHBondContact CD2-NH1 2.87Å; H232-R391 VanDerWaalsContact CG-CZ 3.44Å; H232-R391 PolarHBondContact NE2-NH1 3.46Å; S235-R391 PolarHBondContact O-NH1 3Å; S235-R391 PolarHBondContact O-NH2 3.27Å; F236-R391 VanDerWaalsContact CD2-CZ 3.46Å; F236-R391 HydrophobicContact CE2-CG 4.17Å; D389-R391 PolarHBondContact O-N 3.33Å; D389-R391 WeakPolarHBondContact OD1-CA 3.35Å; D389-R391 WeakPolarHBondContact OD1-CB 3.46Å; D389-R391 WeakPolarHBondContact OD1-CG 3.25Å; D389-R391 IonicContact OD1-CZ 3.15Å; D389-R391 PolarHBondContact OD1-N 2.97Å; D389-R391 IonicContact OD1-NE 3.72Å; D389-R391 PolarHBondContact OD1-NE 3.24Å; D389-R391 IonicContact OD1-NH2 3.4Å; D389-R391 IonicContact OD2-CZ 3.67Å; D389-R391 IonicContact OD2-NE 2.67Å; D389-R391 PolarHBondContact OD2-NE 2.79Å; D389-R391 VanDerWaalsContact OD2-NE 3.16Å; D389-R391 IonicContact OD2-NH2 3.38Å; D389-R391 PolarHBondContact OD2-NH2 3.34Å; R391-D393 PolarHBondContact O-N 3.04Å; R391-D393 VanDerWaalsContact O-N 3.12Å; R391-E394 HydrophobicContact CB-CB 4.44Å; R391-E394 WeakPolarHBondContact O-CB 3.4Å; R391-E394 PolarHBondContact O-N 2.88Å; R391-L398 VanDerWaalsContact O-CD2 3.28Å; R391-L398 WeakPolarHBondContact O-CD2 3.23Å |
| 392 | V | 94.6 | Very high | 95 | Very high | 4 Ų | 4 | 8.5 Ų | 8.5 | 2% | 0.024 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -36 | -179 | 58.8 | 0 | 0 | 0 | 0 | 114.9 | L357 F385 A387 D389 T399 H402 | L357-V392 HydrophobicContact CD1-CG2 3.6Å; F385-V392 HydrophobicContact CB-CG1 4.41Å; F385-V392 HydrophobicContact CB-CG2 4.46Å; F385-V392 WeakPolarHBondContact O-CG1 3.36Å; A387-V392 HydrophobicContact CB-CB 3.96Å; A387-V392 HydrophobicContact CB-CG1 4.28Å; A387-V392 HydrophobicContact CB-CG2 3.93Å; D389-V392 PolarHBondContact O-N 3.1Å; V392-T399 WeakPolarHBondContact O-CA 3.4Å; V392-T399 PolarHBondContact O-N 3.14Å; V392-T399 PolarHBondContact O-OG1 3.39Å; V392-H402 HydrophobicContact CG2-CB 3.86Å |
| 393 | D | 93.1 | Very high | 95.4 | Very high | 8 Ų | 8 | 8.5 Ų | 8.5 | 4% | 0.043 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 11 | 179.1 | -65.4 | -64.1 | 0 | 0 | 0 | 113.7 | C384 F385 R391 N395 F519 P521 | C384-D393 WeakPolarHBondContact CA-OD2 3.24Å; C384-D393 VanDerWaalsContact CB-OD2 3.23Å; C384-D393 WeakPolarHBondContact CB-OD2 3.39Å; F385-D393 WeakPolarHBondContact CD2-OD1 3.01Å; F385-D393 PolarHBondContact N-OD2 3.42Å; R391-D393 PolarHBondContact O-N 3.04Å; R391-D393 VanDerWaalsContact O-N 3.12Å; D393-N395 PolarHBondContact O-N 3.47Å; D393-F519 HydrophobicContact CB-CD1 4.28Å; D393-F519 VanDerWaalsContact O-CA 3.22Å; D393-F519 WeakPolarHBondContact O-CA 3.31Å; D393-F519 VanDerWaalsContact O-CD1 3.3Å; D393-F519 WeakPolarHBondContact O-CD1 3.36Å; D393-F519 PolarHBondContact O-N 2.9Å; D393-F519 VanDerWaalsContact O-N 3.08Å; D393-P521 WeakPolarHBondContact OD1-CB 3.42Å |
| 394 | E | 91.5 | Very high | 95.8 | Very high | 36 Ų | 36 | 7.2 Ų | 7.2 | 17% | 0.168 | 5% | 0.047 | C | C | . | . | S | Bend | trans | -51.8 | -46.1 | 177.7 | -175 | -179 | 165.2 | 0 | 0 | 109.1 | Q228 H232 R391 L398 F518 F519 F560 | Q228-E394 VanDerWaalsContact NE2-CD 3.28Å; Q228-E394 PolarHBondContact NE2-OE1 3.42Å; Q228-E394 PolarHBondContact NE2-OE2 2.84Å; H232-E394 IonicContact CE1-OE2 2.85Å; H232-E394 PolarHBondContact CE1-OE2 3.28Å; H232-E394 IonicContact NE2-OE2 3.27Å; R391-E394 HydrophobicContact CB-CB 4.44Å; R391-E394 WeakPolarHBondContact O-CB 3.4Å; R391-E394 PolarHBondContact O-N 2.88Å; E394-L398 HydrophobicContact CB-CD2 4.28Å; E394-F518 WeakPolarHBondContact O-CA 3.39Å; E394-F518 WeakPolarHBondContact O-CD1 3.38Å; E394-F519 PolarHBondContact O-N 2.65Å; E394-F560 HydrophobicContact CG-CE1 4.42Å |
| 395 | N | 93.8 | Very high | 96.2 | Very high | 4 Ų | 4 | 6.6 Ų | 6.6 | 2% | 0.021 | 4% | 0.043 | C | C | . | . | B | Isolated β-bridge | trans | -149.4 | 157.8 | 169 | 67.4 | 82.2 | 0 | 0 | 0 | 111.8 | F225 Q228 D393 A397 L398 T399 F518 | F225-N395 WeakPolarHBondContact CE1-OD1 3.47Å; Q228-N395 PolarHBondContact OE1-ND2 3.12Å; Q228-N395 VanDerWaalsContact OE1-ND2 3.11Å; D393-N395 PolarHBondContact O-N 3.47Å; N395-A397 VanDerWaalsContact C-N 3.29Å; N395-A397 PolarHBondContact O-N 3.46Å; N395-A397 WeakPolarHBondContact OD1-CB 3.44Å; N395-A397 PolarHBondContact OD1-N 3.2Å; N395-A397 VanDerWaalsContact OD1-N 3.12Å; N395-L398 WeakPolarHBondContact O-CB 3.5Å; N395-L398 PolarHBondContact O-N 3.2Å; N395-L398 PolarHBondContact OD1-N 3.41Å; N395-T399 PolarHBondContact O-N 3Å; N395-T399 VanDerWaalsContact O-N 3.08Å; N395-T399 PolarHBondContact O-OG1 3.39Å; N395-T399 VanDerWaalsContact O-OG1 3.08Å; N395-F518 HydrophobicContact CB-CD1 4.11Å; N395-F518 HydrophobicContact CB-CE1 4.49Å |
| 396 | I | 96.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 6.9 Ų | 6.9 | 1% | 0.005 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -64.7 | -23.8 | -175.1 | 65.2 | -175.4 | 0 | 0 | 0 | 115.1 | S400 V496 V512 A517 T520 R523 V524 L533 | I396-S400 PolarHBondContact O-N 2.84Å; I396-S400 VanDerWaalsContact O-N 3.11Å; I396-S400 PolarHBondContact O-OG 3.48Å; I396-V496 HydrophobicContact CD1-CG1 4.17Å; I396-V496 HydrophobicContact CG1-CG1 3.95Å; I396-V512 HydrophobicContact CD1-CG2 4.41Å; I396-A517 HydrophobicContact CD1-CB 4.13Å; I396-A517 HydrophobicContact CG1-CB 4.17Å; I396-T520 WeakPolarHBondContact CG2-O 3.26Å; I396-T520 WeakPolarHBondContact CG2-OG1 3.42Å; I396-R523 HydrophobicContact CD1-CB 4.48Å; I396-R523 HydrophobicContact CG2-CB 4.32Å; I396-V524 HydrophobicContact CB-CG2 4.3Å; I396-L533 HydrophobicContact CB-CD1 4.22Å; I396-L533 HydrophobicContact CD1-CD1 4.38Å; I396-L533 HydrophobicContact CD1-CD2 3.75Å; I396-L533 HydrophobicContact CG1-CD1 4.23Å; I396-L533 HydrophobicContact CG1-CD2 3.87Å |
| 397 | A | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -71.6 | -44 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | F225 N395 S400 I401 V496 L537 | F225-A397 HydrophobicContact CD1-CB 3.89Å; F225-A397 HydrophobicContact CD2-CB 4.09Å; F225-A397 HydrophobicContact CE1-CB 3.73Å; F225-A397 HydrophobicContact CE2-CB 3.87Å; F225-A397 HydrophobicContact CG-CB 4.07Å; F225-A397 HydrophobicContact CZ-CB 3.7Å; N395-A397 VanDerWaalsContact C-N 3.29Å; N395-A397 PolarHBondContact O-N 3.46Å; N395-A397 WeakPolarHBondContact OD1-CB 3.44Å; N395-A397 PolarHBondContact OD1-N 3.2Å; N395-A397 VanDerWaalsContact OD1-N 3.12Å; A397-S400 WeakPolarHBondContact O-CB 3.42Å; A397-S400 PolarHBondContact O-N 2.89Å; A397-I401 PolarHBondContact O-N 2.97Å; A397-I401 VanDerWaalsContact O-N 3.16Å; A397-V496 HydrophobicContact CB-CG1 4.04Å; A397-L537 HydrophobicContact CB-CD1 4.35Å; A397-L537 HydrophobicContact CB-CD2 4.05Å |
| 398 | L | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -60.6 | -47.3 | 173 | -179 | 61.2 | 0 | 0 | 0 | 111.1 | Q228 W229 R391 E394 N395 S400 I401 H402 | Q228-L398 HydrophobicContact CG-CD2 4.41Å; W229-L398 HydrophobicContact CE3-CD1 4.15Å; R391-L398 VanDerWaalsContact O-CD2 3.28Å; R391-L398 WeakPolarHBondContact O-CD2 3.23Å; E394-L398 HydrophobicContact CB-CD2 4.28Å; N395-L398 WeakPolarHBondContact O-CB 3.5Å; N395-L398 PolarHBondContact O-N 3.2Å; N395-L398 PolarHBondContact OD1-N 3.41Å; L398-S400 PolarHBondContact O-N 2.78Å; L398-I401 PolarHBondContact O-N 3.3Å; L398-H402 PolarHBondContact O-CD2 2.97Å; L398-H402 VanDerWaalsContact O-CD2 3.32Å; L398-H402 PolarHBondContact O-N 3.09Å |
| 399 | T | 98.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 5.8 Ų | 5.8 | 1% | 0.006 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -53.7 | -38.3 | 175 | -48.7 | 0 | 0 | 0 | 0 | 112.4 | L357 F385 V392 N395 H402 T403 V524 | L357-T399 HydrophobicContact CD1-CG2 4.35Å; F385-T399 HydrophobicContact CD2-CG2 3.41Å; F385-T399 VanDerWaalsContact CD2-CG2 3.41Å; F385-T399 HydrophobicContact CE2-CG2 3.68Å; F385-T399 HydrophobicContact CG-CG2 4.49Å; V392-T399 WeakPolarHBondContact O-CA 3.4Å; V392-T399 PolarHBondContact O-N 3.14Å; V392-T399 PolarHBondContact O-OG1 3.39Å; N395-T399 PolarHBondContact O-N 3Å; N395-T399 VanDerWaalsContact O-N 3.08Å; N395-T399 PolarHBondContact O-OG1 3.39Å; N395-T399 VanDerWaalsContact O-OG1 3.08Å; T399-H402 PolarHBondContact O-N 3Å; T399-T403 WeakPolarHBondContact O-CB 3.5Å; T399-T403 PolarHBondContact O-N 3.48Å; T399-T403 PolarHBondContact O-OG1 2.97Å; T399-V524 HydrophobicContact CG2-CG2 4.26Å |
| 400 | S | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -66.8 | -39.5 | 177.8 | -60.6 | 0 | 0 | 0 | 0 | 112.4 | I396 A397 L398 T403 L404 L533 | I396-S400 PolarHBondContact O-N 2.84Å; I396-S400 VanDerWaalsContact O-N 3.11Å; I396-S400 PolarHBondContact O-OG 3.48Å; A397-S400 WeakPolarHBondContact O-CB 3.42Å; A397-S400 PolarHBondContact O-N 2.89Å; L398-S400 PolarHBondContact O-N 2.78Å; S400-T403 PolarHBondContact O-N 3.11Å; S400-L404 WeakPolarHBondContact O-CB 3.07Å; S400-L404 PolarHBondContact O-N 3.3Å; S400-L533 WeakPolarHBondContact OG-CD1 3.39Å |
| 401 | I | 98.7 | Very high | 97.3 | Very high | 3 Ų | 3 | 5.7 Ų | 5.7 | 2% | 0.015 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -66.9 | -45.7 | 175.3 | -61.3 | 172.2 | 0 | 0 | 0 | 110.2 | M222 F225 W229 A397 L398 T403 L404 F405 L537 | M222-I401 HydrophobicContact SD-CD1 4.32Å; F225-I401 HydrophobicContact CB-CD1 3.9Å; W229-I401 HydrophobicContact CD2-CG2 3.67Å; W229-I401 HydrophobicContact CE3-CB 4.34Å; W229-I401 HydrophobicContact CE3-CG2 3.58Å; W229-I401 HydrophobicContact CG-CG2 4.17Å; W229-I401 HydrophobicContact CH2-CG2 4.27Å; W229-I401 HydrophobicContact CZ2-CG2 4.35Å; W229-I401 HydrophobicContact CZ3-CG2 3.91Å; A397-I401 PolarHBondContact O-N 2.97Å; A397-I401 VanDerWaalsContact O-N 3.16Å; L398-I401 PolarHBondContact O-N 3.3Å; I401-T403 VanDerWaalsContact C-N 3.3Å; I401-T403 PolarHBondContact O-N 3.47Å; I401-L404 WeakPolarHBondContact O-CB 3.38Å; I401-L404 PolarHBondContact O-N 2.85Å; I401-L404 VanDerWaalsContact O-N 3.14Å; I401-F405 HydrophobicContact CG2-CD2 3.8Å; I401-F405 HydrophobicContact CG2-CE2 3.77Å; I401-F405 WeakPolarHBondContact O-CD2 3.26Å; I401-F405 PolarHBondContact O-N 3.42Å; I401-F405 VanDerWaalsContact O-N 3.08Å; I401-L537 HydrophobicContact CD1-CD1 4.09Å; I401-L537 HydrophobicContact CG1-CD1 4.13Å |
| 402 | H | 98.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 5.4 Ų | 5.4 | 1% | 0.005 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -55.7 | -46.5 | 174.2 | -81.9 | -97.6 | 0 | 0 | 0 | 111.8 | W229 Q321 L357 V392 L398 T399 L404 F405 V406 | W229-H402 HydrophobicContact CZ3-CB 4.37Å; W229-H402 AromaticContact CZ3-CD2 3.63Å; W229-H402 AromaticContact CZ3-CE1 3.89Å; W229-H402 AromaticContact CZ3-CG 3.65Å; W229-H402 AromaticContact CZ3-ND1 3.8Å; W229-H402 AromaticContact CZ3-NE2 3.78Å; Q321-H402 PolarHBondContact O-CE1 2.81Å; Q321-H402 VanDerWaalsContact O-CE1 3.28Å; Q321-H402 PolarHBondContact O-ND1 3.5Å; Q321-H402 VanDerWaalsContact O-ND1 3.14Å; L357-H402 HydrophobicContact CD1-CB 3.75Å; V392-H402 HydrophobicContact CG2-CB 3.86Å; L398-H402 PolarHBondContact O-CD2 2.97Å; L398-H402 VanDerWaalsContact O-CD2 3.32Å; L398-H402 PolarHBondContact O-N 3.09Å; T399-H402 PolarHBondContact O-N 3Å; H402-L404 VanDerWaalsContact C-N 3.32Å; H402-L404 PolarHBondContact O-N 3.23Å; H402-F405 PolarHBondContact O-N 3.28Å; H402-V406 PolarHBondContact O-N 3.26Å |
| 403 | T | 98.9 | Very high | 97.7 | Very high | 2 Ų | 2 | 5.2 Ų | 5.2 | 1% | 0.012 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -60.5 | -42.8 | 177.9 | -56.1 | 0 | 0 | 0 | 0 | 111.3 | L356 T399 S400 I401 F405 V406 R407 I530 | L356-T403 HydrophobicContact CD2-CG2 4.06Å; T399-T403 WeakPolarHBondContact O-CB 3.5Å; T399-T403 PolarHBondContact O-N 3.48Å; T399-T403 PolarHBondContact O-OG1 2.97Å; S400-T403 PolarHBondContact O-N 3.11Å; I401-T403 VanDerWaalsContact C-N 3.3Å; I401-T403 PolarHBondContact O-N 3.47Å; T403-F405 PolarHBondContact O-N 2.81Å; T403-V406 PolarHBondContact O-N 2.97Å; T403-R407 WeakPolarHBondContact O-CG 3.18Å; T403-R407 PolarHBondContact O-N 2.76Å; T403-I530 HydrophobicContact CG2-CD1 3.95Å; T403-I530 HydrophobicContact CG2-CG2 4.17Å |
| 404 | L | 98.9 | Very high | 98 | Very high | 2 Ų | 2 | 9.1 Ų | 9.1 | 1% | 0.01 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -57.5 | -46.8 | 177.6 | -179.4 | 70.2 | 0 | 0 | 0 | 111.8 | S400 I401 H402 R407 E408 L534 L686 I689 I690 N693 T694 | S400-L404 WeakPolarHBondContact O-CB 3.07Å; S400-L404 PolarHBondContact O-N 3.3Å; I401-L404 WeakPolarHBondContact O-CB 3.38Å; I401-L404 PolarHBondContact O-N 2.85Å; I401-L404 VanDerWaalsContact O-N 3.14Å; H402-L404 VanDerWaalsContact C-N 3.32Å; H402-L404 PolarHBondContact O-N 3.23Å; L404-R407 PolarHBondContact O-N 3.13Å; L404-E408 PolarHBondContact O-N 3.25Å; L404-L534 HydrophobicContact CD1-CD1 4.16Å; L404-L534 HydrophobicContact CD2-CD2 4.47Å; L404-L686 HydrophobicContact CD2-CD1 4.34Å; L404-I689 HydrophobicContact CD1-CG2 4.43Å; L404-I689 HydrophobicContact CD2-CG2 4.38Å; L404-I689 HydrophobicContact CG-CG2 4.19Å; L404-I690 HydrophobicContact CD2-CG1 3.83Å; L404-N693 HydrophobicContact CD1-CB 3.65Å; L404-T694 HydrophobicContact CD1-CG2 3.95Å |
| 405 | F | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -75.5 | -29.4 | -178.3 | -78.9 | -90.1 | 0 | 0 | 0 | 113.2 | F226 W229 L319 V322 I401 H402 T403 E408 H409 M436 F443 L686 | F226-F405 HydrophobicContact CE2-CZ 4.49Å; W229-F405 HydrophobicContact CH2-CB 4.14Å; W229-F405 AromaticContact CH2-CD2 3.91Å; W229-F405 HydrophobicContact CH2-CD2 3.91Å; W229-F405 HydrophobicContact CH2-CG 4.16Å; W229-F405 HydrophobicContact CZ2-CB 4.15Å; W229-F405 HydrophobicContact CZ2-CD1 4.29Å; W229-F405 AromaticContact CZ2-CD2 3.46Å; W229-F405 HydrophobicContact CZ2-CD2 3.46Å; W229-F405 VanDerWaalsContact CZ2-CD2 3.46Å; W229-F405 AromaticContact CZ2-CE2 3.88Å; W229-F405 HydrophobicContact CZ2-CE2 3.88Å; W229-F405 AromaticContact CZ2-CG 3.71Å; W229-F405 HydrophobicContact CZ2-CG 3.71Å; W229-F405 HydrophobicContact CZ2-CZ 4.46Å; L319-F405 HydrophobicContact CD1-CD1 4.3Å; V322-F405 HydrophobicContact CG2-CB 3.78Å; I401-F405 HydrophobicContact CG2-CD2 3.8Å; I401-F405 HydrophobicContact CG2-CE2 3.77Å; I401-F405 WeakPolarHBondContact O-CD2 3.26Å; I401-F405 PolarHBondContact O-N 3.42Å; I401-F405 VanDerWaalsContact O-N 3.08Å; H402-F405 PolarHBondContact O-N 3.28Å; T403-F405 PolarHBondContact O-N 2.81Å; F405-E408 PolarHBondContact O-N 3.5Å; F405-H409 PolarHBondContact O-N 2.92Å; F405-M436 HydrophobicContact CB-CE 3.86Å; F405-M436 HydrophobicContact CD1-CE 3.55Å; F405-M436 HydrophobicContact CD1-SD 4.4Å; F405-M436 HydrophobicContact CG-CE 4.19Å; F405-M436 WeakPolarHBondContact O-CE 3.36Å; F405-F443 HydrophobicContact CE1-CE2 4.43Å; F405-F443 HydrophobicContact CZ-CE2 4.42Å; F405-L686 HydrophobicContact CE2-CD1 4.36Å; F405-L686 HydrophobicContact CZ-CD1 4.11Å |
| 406 | V | 98.9 | Very high | 98.6 | Very high | 10 Ų | 10 | 10.1 Ų | 10.1 | 6% | 0.061 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -65.4 | -42.7 | 170.1 | 168.5 | 0 | 0 | 0 | 0 | 111.2 | V322 L343 V345 L357 H402 T403 E408 H409 N410 | V322-V406 HydrophobicContact CG1-CG2 4.09Å; L343-V406 HydrophobicContact CB-CG1 4.24Å; L343-V406 HydrophobicContact CD1-CG1 4.35Å; L343-V406 HydrophobicContact CD1-CG2 4.1Å; V345-V406 HydrophobicContact CG1-CG1 4.45Å; L357-V406 HydrophobicContact CD2-CB 3.91Å; L357-V406 HydrophobicContact CD2-CG1 4.35Å; L357-V406 HydrophobicContact CD2-CG2 3.43Å; L357-V406 VanDerWaalsContact CD2-CG2 3.43Å; H402-V406 PolarHBondContact O-N 3.26Å; T403-V406 PolarHBondContact O-N 2.97Å; V406-E408 VanDerWaalsContact C-N 3.32Å; V406-E408 PolarHBondContact O-N 2.05Å; V406-H409 PolarHBondContact O-N 3.03Å; V406-N410 PolarHBondContact O-N 3.27Å; V406-N410 VanDerWaalsContact O-N 3.11Å |
| 407 | R | 98.9 | Very high | 98.6 | Very high | 9 Ų | 9 | 12.2 Ų | 12.2 | 3% | 0.034 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -59.1 | -43.9 | 173.8 | -71.3 | 177.5 | -176.1 | 177.6 | 7 | 111.5 | D351 R354 E355 T403 L404 H409 N410 R411 I530 N693 | D351-R407 IonicContact OD2-CZ 3.11Å; D351-R407 IonicContact OD2-NH1 2.64Å; D351-R407 IonicContact OD2-NH2 3.48Å; D351-R407 PolarHBondContact OD2-NH2 3.12Å; R354-R407 VanDerWaalsContact CB-CZ 3.48Å; E355-R407 HydrophobicContact CB-CG 4.32Å; E355-R407 VanDerWaalsContact O-CZ 3.26Å; E355-R407 PolarHBondContact O-NE 2.89Å; E355-R407 PolarHBondContact O-NH2 3.35Å; T403-R407 WeakPolarHBondContact O-CG 3.18Å; T403-R407 PolarHBondContact O-N 2.76Å; L404-R407 PolarHBondContact O-N 3.13Å; R407-H409 PolarHBondContact O-N 3.48Å; R407-N410 PolarHBondContact O-N 3.29Å; R407-R411 WeakPolarHBondContact O-CB 3.46Å; R407-R411 PolarHBondContact O-N 3.11Å; R407-I530 VanDerWaalsContact NH1-CD1 3.34Å; R407-N693 HydrophobicContact CB-CB 3.88Å; R407-N693 WeakPolarHBondContact CB-OD1 3.5Å; R407-N693 VanDerWaalsContact CD-O 3.23Å; R407-N693 WeakPolarHBondContact CD-O 3.41Å; R407-N693 PolarHBondContact NH1-O 3.39Å; R407-N693 PolarHBondContact O-OD1 3.23Å |
| 408 | E | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.5 | -40.3 | 179.5 | 179.3 | 60.1 | -168.5 | 0 | 0 | 112.3 | L404 F405 V406 R411 L412 M436 Y439 I689 N693 | L404-E408 PolarHBondContact O-N 3.25Å; F405-E408 PolarHBondContact O-N 3.5Å; V406-E408 VanDerWaalsContact C-N 3.32Å; V406-E408 PolarHBondContact O-N 2.05Å; E408-R411 PolarHBondContact O-N 3.46Å; E408-R411 IonicContact OE1-CZ 2.7Å; E408-R411 IonicContact OE1-NE 2.88Å; E408-R411 PolarHBondContact OE1-NE 3.46Å; E408-R411 IonicContact OE1-NH2 3.75Å; E408-R411 PolarHBondContact OE1-NH2 3.43Å; E408-R411 IonicContact OE2-CZ 2.76Å; E408-R411 IonicContact OE2-NE 3.16Å; E408-R411 PolarHBondContact OE2-NE 2.93Å; E408-R411 IonicContact OE2-NH2 3.88Å; E408-L412 HydrophobicContact CG-CD1 4.08Å; E408-L412 HydrophobicContact CG-CG 4.43Å; E408-L412 WeakPolarHBondContact O-CB 3.11Å; E408-L412 VanDerWaalsContact O-CG 3.32Å; E408-L412 WeakPolarHBondContact O-CG 3.42Å; E408-L412 PolarHBondContact O-N 3.49Å; E408-L412 WeakPolarHBondContact OE1-CG 3.49Å; E408-M436 HydrophobicContact CB-CE 3.96Å; E408-M436 HydrophobicContact CB-SD 3.93Å; E408-M436 HydrophobicContact CG-CE 4.07Å; E408-M436 HydrophobicContact CG-SD 3.34Å; E408-M436 WeakPolarHBondContact CG-SD 3.37Å; E408-Y439 HydrophobicContact CG-CD2 4.42Å; E408-Y439 HydrophobicContact CG-CE2 3.94Å; E408-Y439 VanDerWaalsContact OE1-CE2 3.28Å; E408-Y439 WeakPolarHBondContact OE1-CE2 3.37Å; E408-Y439 PolarHBondContact OE1-OH 3.32Å; E408-I689 HydrophobicContact CB-CG2 4.02Å; E408-I689 HydrophobicContact CG-CD1 4.14Å; E408-I689 HydrophobicContact CG-CG2 4.06Å; E408-N693 WeakPolarHBondContact CA-OD1 3.18Å; E408-N693 PolarHBondContact N-OD1 2.89Å; E408-N693 PolarHBondContact OE2-ND2 2.83Å |
| 409 | H | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -56.9 | -52.3 | 173.1 | 175.5 | 94.4 | 0 | 0 | 0 | 111.1 | Y323 G341 L343 F405 V406 R407 R411 L412 A413 Y429 M436 | Y323-H409 AromaticContact CE1-CE1 3.72Å; Y323-H409 AromaticContact CE1-ND1 3.34Å; Y323-H409 VanDerWaalsContact CE1-ND1 3.34Å; Y323-H409 WeakPolarHBondContact CE1-ND1 3.47Å; Y323-H409 AromaticContact CZ-ND1 3.54Å; Y323-H409 PolarHBondContact OH-ND1 3.37Å; G341-H409 PolarHBondContact O-NE2 3.03Å; G341-H409 VanDerWaalsContact O-NE2 3.15Å; L343-H409 HydrophobicContact CD1-CB 3.93Å; F405-H409 PolarHBondContact O-N 2.92Å; V406-H409 PolarHBondContact O-N 3.03Å; R407-H409 PolarHBondContact O-N 3.48Å; H409-R411 VanDerWaalsContact C-N 3.28Å; H409-R411 PolarHBondContact O-N 3.22Å; H409-L412 PolarHBondContact O-N 3.4Å; H409-A413 WeakPolarHBondContact O-CB 3.4Å; H409-A413 PolarHBondContact O-N 3.44Å; H409-Y429 AromaticContact CE1-CD2 3.57Å; H409-Y429 AromaticContact NE2-CD2 3.76Å; H409-M436 HydrophobicContact CB-CE 4.32Å |
| 410 | N | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.3 | -34.4 | -178.8 | -75.7 | -7.8 | 0 | 0 | 0 | 112.1 | L342 L343 V345 E355 V406 R407 R414 | L342-N410 HydrophobicContact CD2-CB 4.13Å; L343-N410 PolarHBondContact N-OD1 2.99Å; L343-N410 PolarHBondContact O-ND2 3.45Å; V345-N410 WeakPolarHBondContact CG1-ND2 3.28Å; E355-N410 WeakPolarHBondContact OE2-CB 3.33Å; E355-N410 PolarHBondContact OE2-ND2 3.21Å; V406-N410 PolarHBondContact O-N 3.27Å; V406-N410 VanDerWaalsContact O-N 3.11Å; R407-N410 PolarHBondContact O-N 3.29Å; N410-R414 WeakPolarHBondContact O-CB 3.35Å; N410-R414 WeakPolarHBondContact O-CD 3.35Å; N410-R414 WeakPolarHBondContact O-CG 3.5Å; N410-R414 PolarHBondContact O-N 3.45Å; N410-R414 VanDerWaalsContact O-N 3.1Å |
| 411 | R | 98.8 | Very high | 98.5 | Very high | 32 Ų | 32 | 27.3 Ų | 27.3 | 12% | 0.121 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63 | -47.6 | 173.2 | -168.2 | -164.5 | 71.2 | 71.6 | 5.7 | 111.2 | R407 E408 H409 Q415 | R407-R411 WeakPolarHBondContact O-CB 3.46Å; R407-R411 PolarHBondContact O-N 3.11Å; E408-R411 PolarHBondContact O-N 3.46Å; E408-R411 IonicContact OE1-CZ 2.7Å; E408-R411 IonicContact OE1-NE 2.88Å; E408-R411 PolarHBondContact OE1-NE 3.46Å; E408-R411 IonicContact OE1-NH2 3.75Å; E408-R411 PolarHBondContact OE1-NH2 3.43Å; E408-R411 IonicContact OE2-CZ 2.76Å; E408-R411 IonicContact OE2-NE 3.16Å; E408-R411 PolarHBondContact OE2-NE 2.93Å; E408-R411 IonicContact OE2-NH2 3.88Å; H409-R411 VanDerWaalsContact C-N 3.28Å; H409-R411 PolarHBondContact O-N 3.22Å; R411-Q415 VanDerWaalsContact NH1-NE2 3.12Å; R411-Q415 WeakPolarHBondContact O-CG 3.41Å; R411-Q415 PolarHBondContact O-N 2.99Å; R411-Q415 VanDerWaalsContact O-N 3.12Å |
| 412 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.6 | -50 | 177.9 | -72.8 | 169.4 | 0 | 0 | 0 | 111.4 | E408 H409 R414 Q415 L416 A432 I435 M436 Y439 L722 L724 | E408-L412 HydrophobicContact CG-CD1 4.08Å; E408-L412 HydrophobicContact CG-CG 4.43Å; E408-L412 WeakPolarHBondContact O-CB 3.11Å; E408-L412 VanDerWaalsContact O-CG 3.32Å; E408-L412 WeakPolarHBondContact O-CG 3.42Å; E408-L412 PolarHBondContact O-N 3.49Å; E408-L412 WeakPolarHBondContact OE1-CG 3.49Å; H409-L412 PolarHBondContact O-N 3.4Å; L412-R414 VanDerWaalsContact C-N 3.35Å; L412-R414 PolarHBondContact O-N 3.49Å; L412-Q415 PolarHBondContact O-N 3.06Å; L412-Q415 VanDerWaalsContact O-N 3.14Å; L412-L416 WeakPolarHBondContact O-CB 3.35Å; L412-L416 VanDerWaalsContact O-CG 3.3Å; L412-L416 WeakPolarHBondContact O-CG 3.25Å; L412-L416 PolarHBondContact O-N 3.44Å; L412-A432 HydrophobicContact CB-CB 4.06Å; L412-I435 HydrophobicContact CD1-CB 4.21Å; L412-I435 HydrophobicContact CD1-CG2 3.77Å; L412-I435 HydrophobicContact CD2-CG2 4.17Å; L412-M436 HydrophobicContact CD1-CG 3.64Å; L412-M436 HydrophobicContact CD1-SD 3.82Å; L412-Y439 HydrophobicContact CD1-CE2 4.11Å; L412-L722 HydrophobicContact CD2-CD2 4.2Å; L412-L724 HydrophobicContact CD2-CD1 4.16Å; L412-L724 HydrophobicContact CD2-CD2 4.07Å |
| 413 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.4 | -45.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | L342 H409 Q415 L416 K417 A432 | L342-A413 HydrophobicContact CD2-CB 3.83Å; H409-A413 WeakPolarHBondContact O-CB 3.4Å; H409-A413 PolarHBondContact O-N 3.44Å; A413-Q415 PolarHBondContact O-N 3.43Å; A413-L416 PolarHBondContact O-N 2.84Å; A413-K417 PolarHBondContact O-N 2.87Å; A413-A432 HydrophobicContact CB-CB 4.23Å |
| 414 | R | 98.6 | Very high | 98.2 | Very high | 89 Ų | 89 | 36.2 Ų | 36.2 | 34% | 0.336 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -61.2 | -42.6 | 175 | -72.5 | 171.8 | -175.6 | 129 | 5 | 113 | L342 E355 N410 L412 R418 | L342-R414 HydrophobicContact CD2-CG 4.06Å; E355-R414 IonicContact OE1-CZ 3.23Å; E355-R414 IonicContact OE1-NH1 3.86Å; E355-R414 PolarHBondContact OE1-NH1 2.89Å; E355-R414 IonicContact OE1-NH2 3.19Å; E355-R414 PolarHBondContact OE1-NH2 3.02Å; E355-R414 IonicContact OE2-NH1 2.63Å; N410-R414 WeakPolarHBondContact O-CB 3.35Å; N410-R414 WeakPolarHBondContact O-CD 3.35Å; N410-R414 WeakPolarHBondContact O-CG 3.5Å; N410-R414 PolarHBondContact O-N 3.45Å; N410-R414 VanDerWaalsContact O-N 3.1Å; L412-R414 VanDerWaalsContact C-N 3.35Å; L412-R414 PolarHBondContact O-N 3.49Å; R414-R418 WeakPolarHBondContact O-CG 3.36Å; R414-R418 PolarHBondContact O-N 3.43Å |
| 415 | Q | 98.5 | Very high | 98.1 | Very high | 61 Ų | 61 | 38 Ų | 38 | 29% | 0.285 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -70.4 | -38.8 | 179.4 | -73.2 | -173 | -14.7 | 0 | 0 | 112 | R411 L412 A413 R418 L419 L724 | R411-Q415 VanDerWaalsContact NH1-NE2 3.12Å; R411-Q415 WeakPolarHBondContact O-CG 3.41Å; R411-Q415 PolarHBondContact O-N 2.99Å; R411-Q415 VanDerWaalsContact O-N 3.12Å; L412-Q415 PolarHBondContact O-N 3.06Å; L412-Q415 VanDerWaalsContact O-N 3.14Å; A413-Q415 PolarHBondContact O-N 3.43Å; Q415-R418 PolarHBondContact O-N 3.41Å; Q415-L419 WeakPolarHBondContact O-CB 3.35Å; Q415-L419 PolarHBondContact O-N 2.89Å; Q415-L724 HydrophobicContact CB-CD1 3.53Å; Q415-L724 HydrophobicContact CG-CD1 4.43Å |
| 416 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.8 | -39.2 | 174.6 | -70.9 | 169.9 | 0 | 0 | 0 | 111.5 | L412 A413 R418 L419 N420 W423 L428 E431 A432 I435 L724 W727 | L412-L416 WeakPolarHBondContact O-CB 3.35Å; L412-L416 VanDerWaalsContact O-CG 3.3Å; L412-L416 WeakPolarHBondContact O-CG 3.25Å; L412-L416 PolarHBondContact O-N 3.44Å; A413-L416 PolarHBondContact O-N 2.84Å; L416-R418 VanDerWaalsContact C-N 3.34Å; L416-R418 PolarHBondContact O-N 3.09Å; L416-L419 PolarHBondContact O-N 3.25Å; L416-N420 WeakPolarHBondContact O-CB 3.39Å; L416-N420 PolarHBondContact O-N 2.69Å; L416-W423 HydrophobicContact CB-CE3 4.38Å; L416-W423 HydrophobicContact CB-CZ3 4.17Å; L416-W423 HydrophobicContact CD1-CZ3 4.31Å; L416-W423 HydrophobicContact CD2-CH2 4.47Å; L416-W423 HydrophobicContact CD2-CZ3 3.95Å; L416-W423 HydrophobicContact CG-CZ3 4.37Å; L416-L428 HydrophobicContact CB-CD2 3.77Å; L416-E431 HydrophobicContact CD1-CB 4.05Å; L416-A432 HydrophobicContact CD1-CB 4.37Å; L416-I435 HydrophobicContact CD1-CD1 4.08Å; L416-L724 HydrophobicContact CD2-CD2 4.25Å; L416-W727 HydrophobicContact CD2-CB 3.76Å; L416-W727 HydrophobicContact CD2-CG 4.16Å |
| 417 | K | 98.1 | Very high | 98 | Very high | 46 Ų | 46 | 42.4 Ų | 42.4 | 20% | 0.2 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61 | -42.2 | 174.1 | -179.2 | 68.2 | 174.7 | -173.2 | 0 | 111.8 | D339 A413 L419 N420 P421 W423 L428 | D339-K417 WeakPolarHBondContact OD2-CE 3.45Å; D339-K417 IonicContact OD2-NZ 2.82Å; D339-K417 PolarHBondContact OD2-NZ 2.96Å; A413-K417 PolarHBondContact O-N 2.87Å; K417-L419 VanDerWaalsContact C-N 3.32Å; K417-N420 CarbonylContact O-C 3.59Å; K417-N420 VanDerWaalsContact O-C 3.27Å; K417-P421 PolarHBondContact NZ-O 3.41Å; K417-P421 VanDerWaalsContact O-CA 3.32Å; K417-P421 WeakPolarHBondContact O-CA 3.31Å; K417-W423 PolarHBondContact NZ-O 3.12Å; K417-L428 HydrophobicContact CB-CD1 4.08Å; K417-L428 HydrophobicContact CB-CD2 3.92Å; K417-L428 HydrophobicContact CD-CD1 3.59Å; K417-L428 HydrophobicContact CG-CD1 4.35Å; K417-L428 VanDerWaalsContact N-CD2 3.31Å |
| 418 | R | 97.7 | Very high | 98 | Very high | 195 Ų | 195 | 42 Ų | 42 | 74% | 0.736 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -65 | -38 | 176 | -69.2 | 174.2 | -169.9 | 166.1 | 1.3 | 112 | R414 Q415 L416 | R414-R418 WeakPolarHBondContact O-CG 3.36Å; R414-R418 PolarHBondContact O-N 3.43Å; Q415-R418 PolarHBondContact O-N 3.41Å; L416-R418 VanDerWaalsContact C-N 3.34Å; L416-R418 PolarHBondContact O-N 3.09Å |
| 419 | L | 97.8 | Very high | 98 | Very high | 34 Ų | 34 | 42 Ų | 42 | 18% | 0.178 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -75.7 | -35.8 | -179 | -173.4 | 62.6 | 0 | 0 | 0 | 112.8 | Q415 L416 K417 L724 L725 R728 | Q415-L419 WeakPolarHBondContact O-CB 3.35Å; Q415-L419 PolarHBondContact O-N 2.89Å; L416-L419 PolarHBondContact O-N 3.25Å; K417-L419 VanDerWaalsContact C-N 3.32Å; L419-L724 HydrophobicContact CD2-CB 4.35Å; L419-L724 WeakPolarHBondContact CD2-O 3.05Å; L419-L725 HydrophobicContact CD1-CD2 3.92Å; L419-R728 HydrophobicContact CD1-CB 3.88Å; L419-R728 HydrophobicContact CD1-CG 3.81Å; L419-R728 HydrophobicContact CD2-CB 3.98Å; L419-R728 HydrophobicContact CG-CB 3.88Å; L419-R728 HydrophobicContact CG-CG 4.03Å |
| 420 | N | 97.9 | Very high | 98 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -129.8 | 75.9 | -177.2 | -59.1 | -52.7 | 0 | 0 | 0 | 109.8 | L416 K417 Q422 W423 W727 R728 E729 | L416-N420 WeakPolarHBondContact O-CB 3.39Å; L416-N420 PolarHBondContact O-N 2.69Å; K417-N420 CarbonylContact O-C 3.59Å; K417-N420 VanDerWaalsContact O-C 3.27Å; N420-Q422 VanDerWaalsContact CA-OE1 3.24Å; N420-Q422 PolarHBondContact O-N 2.87Å; N420-Q422 VanDerWaalsContact O-N 3.09Å; N420-W423 HydrophobicContact CB-CB 4.34Å; N420-W423 HydrophobicContact CB-CD2 3.55Å; N420-W423 HydrophobicContact CB-CE3 4.03Å; N420-W423 HydrophobicContact CB-CG 3.69Å; N420-W423 HydrophobicContact CB-CZ2 4.4Å; N420-W423 VanDerWaalsContact ND2-CH2 3.31Å; N420-W423 WeakPolarHBondContact ND2-CH2 3.42Å; N420-W423 WeakPolarHBondContact ND2-CZ2 3.36Å; N420-W423 PolarHBondContact O-N 3.41Å; N420-W727 PolarHBondContact ND2-O 3.16Å; N420-R728 WeakPolarHBondContact OD1-CA 3.42Å; N420-E729 PolarHBondContact OD1-N 3.08Å | ||
| 421 | P | 96.3 | Very high | 98 | Very high | 89 Ų | 89 | 43.2 Ų | 43.2 | 58% | 0.578 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -25.9 | -178.5 | -25.6 | 35.8 | 0 | 0 | 0 | 114.1 | K417 W423 | K417-P421 PolarHBondContact NZ-O 3.41Å; K417-P421 VanDerWaalsContact O-CA 3.32Å; K417-P421 WeakPolarHBondContact O-CA 3.31Å; P421-W423 VanDerWaalsContact C-N 3.31Å; P421-W423 PolarHBondContact O-N 3.02Å |
| 422 | Q | 95.6 | Very high | 98 | Very high | 91 Ų | 91 | 41.7 Ų | 41.7 | 43% | 0.425 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -14.5 | 179.1 | 77 | -75.5 | 4.6 | 0 | 0 | 114.5 | N420 E729 | N420-Q422 VanDerWaalsContact CA-OE1 3.24Å; N420-Q422 PolarHBondContact O-N 2.87Å; N420-Q422 VanDerWaalsContact O-N 3.09Å; Q422-E729 PolarHBondContact NE2-O 2.92Å |
| 423 | W | 97.4 | Very high | 98 | Very high | 13 Ų | 13 | 42.1 Ų | 42.1 | 5% | 0.049 | 20% | 0.201 | C | C | . | . | trans | -73.5 | 134.5 | 178.5 | -72.9 | -0.7 | 0 | 0 | 0 | 111.1 | L416 K417 N420 P421 T427 L428 E431 W727 E729 | L416-W423 HydrophobicContact CB-CE3 4.38Å; L416-W423 HydrophobicContact CB-CZ3 4.17Å; L416-W423 HydrophobicContact CD1-CZ3 4.31Å; L416-W423 HydrophobicContact CD2-CH2 4.47Å; L416-W423 HydrophobicContact CD2-CZ3 3.95Å; L416-W423 HydrophobicContact CG-CZ3 4.37Å; K417-W423 PolarHBondContact NZ-O 3.12Å; N420-W423 HydrophobicContact CB-CB 4.34Å; N420-W423 HydrophobicContact CB-CD2 3.55Å; N420-W423 HydrophobicContact CB-CE3 4.03Å; N420-W423 HydrophobicContact CB-CG 3.69Å; N420-W423 HydrophobicContact CB-CZ2 4.4Å; N420-W423 VanDerWaalsContact ND2-CH2 3.31Å; N420-W423 WeakPolarHBondContact ND2-CH2 3.42Å; N420-W423 WeakPolarHBondContact ND2-CZ2 3.36Å; N420-W423 PolarHBondContact O-N 3.41Å; P421-W423 VanDerWaalsContact C-N 3.31Å; P421-W423 PolarHBondContact O-N 3.02Å; W423-T427 HydrophobicContact CB-CG2 4.09Å; W423-T427 HydrophobicContact CD2-CG2 3.59Å; W423-T427 HydrophobicContact CE3-CG2 3.91Å; W423-T427 HydrophobicContact CG-CG2 3.68Å; W423-L428 HydrophobicContact CB-CD2 4.15Å; W423-L428 HydrophobicContact CB-CG 3.98Å; W423-L428 HydrophobicContact CE3-CD2 3.97Å; W423-E431 HydrophobicContact CE3-CG 4.38Å; W423-E431 HydrophobicContact CH2-CB 4.25Å; W423-E431 HydrophobicContact CH2-CG 3.74Å; W423-E431 HydrophobicContact CZ3-CB 3.75Å; W423-E431 HydrophobicContact CZ3-CG 3.63Å; W423-W727 HydrophobicContact CH2-CB 4.43Å; W423-E729 HydrophobicContact CZ2-CG 4Å; W423-E729 VanDerWaalsContact NE1-CD 3.33Å; W423-E729 PolarHBondContact NE1-OE2 2.78Å | ||
| 424 | D | 96.5 | Very high | 98 | Very high | 89 Ų | 89 | 43.8 Ų | 43.8 | 48% | 0.476 | 21% | 0.208 | S | C | . | . | trans | -77.4 | 170.5 | 172.4 | 68.2 | 0.1 | 0 | 0 | 0 | 111.7 | E426 T427 L428 | D424-E426 VanDerWaalsContact C-N 3.26Å; D424-E426 PolarHBondContact O-N 3.14Å; D424-T427 PolarHBondContact O-N 3.35Å; D424-T427 WeakPolarHBondContact OD1-CB 3.38Å; D424-T427 PolarHBondContact OD1-N 3Å; D424-T427 PolarHBondContact OD1-OG1 3.48Å; D424-L428 WeakPolarHBondContact O-CD1 3.15Å; D424-L428 VanDerWaalsContact O-CG 3.27Å; D424-L428 WeakPolarHBondContact O-CG 3.28Å; D424-L428 PolarHBondContact O-N 3.49Å | ||
| 425 | S | 97.4 | Very high | 98 | Very high | 40 Ų | 40 | 39.6 Ų | 39.6 | 28% | 0.28 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.6 | -33.3 | -177.4 | 61 | 0 | 0 | 0 | 0 | 113.1 | D339 G341 Y429 | D339-S425 WeakPolarHBondContact O-CA 3.2Å; G341-S425 WeakPolarHBondContact CA-O 3.29Å; S425-Y429 VanDerWaalsContact O-CB 3.3Å; S425-Y429 WeakPolarHBondContact O-CB 3.06Å; S425-Y429 PolarHBondContact O-N 3.24Å |
| 426 | E | 97.8 | Very high | 98 | Very high | 69 Ų | 69 | 36.7 Ų | 36.7 | 32% | 0.322 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -68 | -46.9 | 176.5 | 179.9 | 59.1 | -157.2 | 0 | 0 | 111.2 | R334 D424 L428 Y429 Q430 | R334-E426 IonicContact CZ-OE2 2.86Å; R334-E426 IonicContact NH1-OE2 3.86Å; R334-E426 PolarHBondContact NH1-OE2 3.28Å; R334-E426 IonicContact NH2-OE2 3.16Å; R334-E426 PolarHBondContact NH2-OE2 2.8Å; D424-E426 VanDerWaalsContact C-N 3.26Å; D424-E426 PolarHBondContact O-N 3.14Å; E426-L428 VanDerWaalsContact C-N 3.33Å; E426-L428 PolarHBondContact O-N 2.79Å; E426-Y429 PolarHBondContact O-N 2.52Å; E426-Q430 HydrophobicContact CG-CG 4.42Å; E426-Q430 WeakPolarHBondContact O-CB 3.19Å; E426-Q430 VanDerWaalsContact O-CG 3.26Å; E426-Q430 WeakPolarHBondContact O-CG 3.17Å; E426-Q430 PolarHBondContact O-N 2.84Å; E426-Q430 WeakPolarHBondContact OE1-CG 3.48Å; E426-Q430 PolarHBondContact OE1-NE2 3.04Å |
| 427 | T | 98.1 | Very high | 98 | Very high | 33 Ų | 33 | 36.9 Ų | 36.9 | 20% | 0.202 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.8 | -43.1 | 177.7 | -59.2 | 0 | 0 | 0 | 0 | 111 | W423 D424 Q430 E431 | W423-T427 HydrophobicContact CB-CG2 4.09Å; W423-T427 HydrophobicContact CD2-CG2 3.59Å; W423-T427 HydrophobicContact CE3-CG2 3.91Å; W423-T427 HydrophobicContact CG-CG2 3.68Å; D424-T427 PolarHBondContact O-N 3.35Å; D424-T427 WeakPolarHBondContact OD1-CB 3.38Å; D424-T427 PolarHBondContact OD1-N 3Å; D424-T427 PolarHBondContact OD1-OG1 3.48Å; T427-Q430 PolarHBondContact O-N 2.99Å; T427-E431 HydrophobicContact CG2-CG 4.27Å; T427-E431 WeakPolarHBondContact O-CB 3.34Å; T427-E431 WeakPolarHBondContact O-CG 3.4Å; T427-E431 PolarHBondContact O-N 3.34Å |
| 428 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.7 | -47.9 | 177.1 | -70.5 | 160.8 | 0 | 0 | 0 | 112.1 | L416 K417 W423 D424 E426 Q430 A432 | L416-L428 HydrophobicContact CB-CD2 3.77Å; K417-L428 HydrophobicContact CB-CD1 4.08Å; K417-L428 HydrophobicContact CB-CD2 3.92Å; K417-L428 HydrophobicContact CD-CD1 3.59Å; K417-L428 HydrophobicContact CG-CD1 4.35Å; K417-L428 VanDerWaalsContact N-CD2 3.31Å; W423-L428 HydrophobicContact CB-CD2 4.15Å; W423-L428 HydrophobicContact CB-CG 3.98Å; W423-L428 HydrophobicContact CE3-CD2 3.97Å; D424-L428 WeakPolarHBondContact O-CD1 3.15Å; D424-L428 VanDerWaalsContact O-CG 3.27Å; D424-L428 WeakPolarHBondContact O-CG 3.28Å; D424-L428 PolarHBondContact O-N 3.49Å; E426-L428 VanDerWaalsContact C-N 3.33Å; E426-L428 PolarHBondContact O-N 2.79Å; L428-Q430 PolarHBondContact O-N 2.87Å; L428-A432 VanDerWaalsContact O-CB 3.26Å; L428-A432 WeakPolarHBondContact O-CB 3.25Å; L428-A432 PolarHBondContact O-N 2.86Å |
| 429 | Y | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 0% | 0.004 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.7 | -48.1 | 176.4 | 170.3 | -100.5 | 0 | 0 | 0 | 111.2 | Y323 R334 L343 H409 S425 E426 R433 | Y323-Y429 AromaticContact CD1-CE2 3.83Å; Y323-Y429 HydrophobicContact CD1-CE2 3.83Å; Y323-Y429 AromaticContact CD1-CZ 3.89Å; Y323-Y429 WeakPolarHBondContact CD1-OH 3.02Å; Y323-Y429 HydrophobicContact CE1-CE2 4.03Å; R334-Y429 HydrophobicContact CG-CD2 3.93Å; R334-Y429 HydrophobicContact CG-CE2 3.63Å; L343-Y429 HydrophobicContact CD2-CE2 3.97Å; H409-Y429 AromaticContact CE1-CD2 3.57Å; H409-Y429 AromaticContact NE2-CD2 3.76Å; S425-Y429 VanDerWaalsContact O-CB 3.3Å; S425-Y429 WeakPolarHBondContact O-CB 3.06Å; S425-Y429 PolarHBondContact O-N 3.24Å; E426-Y429 PolarHBondContact O-N 2.52Å; Y429-R433 WeakPolarHBondContact O-CB 3.37Å; Y429-R433 PolarHBondContact O-N 3.35Å |
| 430 | Q | 98.8 | Very high | 98.1 | Very high | 19 Ų | 19 | 23.9 Ų | 23.9 | 9% | 0.089 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -70.6 | -39.5 | -176.6 | -66.7 | -66.7 | -5 | 0 | 0 | 112.9 | Y144 E426 T427 L428 R433 K434 | Y144-Q430 HydrophobicContact CD1-CB 3.67Å; Y144-Q430 HydrophobicContact CD2-CB 3.8Å; Y144-Q430 HydrophobicContact CD2-CG 3.94Å; Y144-Q430 HydrophobicContact CE1-CB 3.62Å; Y144-Q430 HydrophobicContact CE2-CB 3.74Å; Y144-Q430 HydrophobicContact CE2-CG 4.15Å; Y144-Q430 HydrophobicContact CG-CB 3.76Å; Y144-Q430 HydrophobicContact CG-CG 4.14Å; E426-Q430 HydrophobicContact CG-CG 4.42Å; E426-Q430 WeakPolarHBondContact O-CB 3.19Å; E426-Q430 VanDerWaalsContact O-CG 3.26Å; E426-Q430 WeakPolarHBondContact O-CG 3.17Å; E426-Q430 PolarHBondContact O-N 2.84Å; E426-Q430 WeakPolarHBondContact OE1-CG 3.48Å; E426-Q430 PolarHBondContact OE1-NE2 3.04Å; T427-Q430 PolarHBondContact O-N 2.99Å; L428-Q430 PolarHBondContact O-N 2.87Å; Q430-R433 PolarHBondContact O-N 3.32Å; Q430-K434 WeakPolarHBondContact O-CB 3.47Å; Q430-K434 PolarHBondContact O-N 2.7Å |
| 431 | E | 98.8 | Very high | 98.1 | Very high | 6 Ų | 6 | 24 Ų | 24 | 3% | 0.028 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.7 | -42.4 | 176.5 | -74.2 | -67.9 | 162 | 0 | 0 | 111.5 | K143 Y144 L416 W423 T427 K434 I435 W727 | K143-E431 WeakPolarHBondContact CE-OE1 3.42Å; K143-E431 IonicContact NZ-OE1 3.72Å; K143-E431 PolarHBondContact NZ-OE1 2.86Å; Y144-E431 HydrophobicContact CE1-CG 4.22Å; Y144-E431 WeakPolarHBondContact CE1-OE1 2.85Å; Y144-E431 PolarHBondContact OH-OE1 3.25Å; L416-E431 HydrophobicContact CD1-CB 4.05Å; W423-E431 HydrophobicContact CE3-CG 4.38Å; W423-E431 HydrophobicContact CH2-CB 4.25Å; W423-E431 HydrophobicContact CH2-CG 3.74Å; W423-E431 HydrophobicContact CZ3-CB 3.75Å; W423-E431 HydrophobicContact CZ3-CG 3.63Å; T427-E431 HydrophobicContact CG2-CG 4.27Å; T427-E431 WeakPolarHBondContact O-CB 3.34Å; T427-E431 WeakPolarHBondContact O-CG 3.4Å; T427-E431 PolarHBondContact O-N 3.34Å; E431-K434 PolarHBondContact O-N 3.33Å; E431-I435 WeakPolarHBondContact O-CG1 3.39Å; E431-I435 PolarHBondContact O-N 3.27Å; E431-W727 PolarHBondContact OE2-NE1 3.22Å |
| 432 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.7 | -46.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L412 A413 L416 L428 K434 I435 M436 | L412-A432 HydrophobicContact CB-CB 4.06Å; A413-A432 HydrophobicContact CB-CB 4.23Å; L416-A432 HydrophobicContact CD1-CB 4.37Å; L428-A432 VanDerWaalsContact O-CB 3.26Å; L428-A432 WeakPolarHBondContact O-CB 3.25Å; L428-A432 PolarHBondContact O-N 2.86Å; A432-K434 VanDerWaalsContact C-N 3.31Å; A432-K434 PolarHBondContact O-N 2.92Å; A432-I435 PolarHBondContact O-N 2.97Å; A432-M436 WeakPolarHBondContact O-CB 3.2Å; A432-M436 WeakPolarHBondContact O-CG 3.27Å; A432-M436 PolarHBondContact O-N 3.42Å |
| 433 | R | 98.9 | Very high | 98.3 | Very high | 10 Ų | 10 | 15.9 Ų | 15.9 | 4% | 0.038 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -58.2 | -41.4 | 174.4 | 173.6 | 171.4 | 175 | -124.8 | 0.6 | 112.4 | R145 T146 Y323 Y429 Q430 M436 G437 | R145-R433 PolarHBondContact O-NH1 2.78Å; T146-R433 PolarHBondContact O-NH2 2.7Å; Y323-R433 HydrophobicContact CD1-CB 4.41Å; Y323-R433 HydrophobicContact CD1-CG 4.21Å; Y323-R433 HydrophobicContact CD2-CG 3.77Å; Y323-R433 HydrophobicContact CE1-CB 3.93Å; Y323-R433 HydrophobicContact CE1-CG 4.11Å; Y323-R433 HydrophobicContact CE2-CB 4.09Å; Y323-R433 HydrophobicContact CE2-CG 3.67Å; Y323-R433 HydrophobicContact CG-CG 4.05Å; Y323-R433 WeakPolarHBondContact OH-CA 3.31Å; Y429-R433 WeakPolarHBondContact O-CB 3.37Å; Y429-R433 PolarHBondContact O-N 3.35Å; Q430-R433 PolarHBondContact O-N 3.32Å; R433-M436 PolarHBondContact O-N 2.89Å; R433-G437 PolarHBondContact O-N 2.89Å |
| 434 | K | 98.8 | Very high | 98.3 | Very high | 35 Ų | 35 | 15.2 Ų | 15.2 | 15% | 0.152 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -67 | -44.2 | 179.6 | -171.7 | -176.7 | 174 | 176.5 | 0 | 112 | K143 Y144 Q430 E431 A432 M436 G437 A438 V672 F673 | K143-K434 PolarHBondContact O-NZ 2.65Å; Y144-K434 HydrophobicContact CD1-CD 4.19Å; Y144-K434 HydrophobicContact CE1-CD 4.27Å; Q430-K434 WeakPolarHBondContact O-CB 3.47Å; Q430-K434 PolarHBondContact O-N 2.7Å; E431-K434 PolarHBondContact O-N 3.33Å; A432-K434 VanDerWaalsContact C-N 3.31Å; A432-K434 PolarHBondContact O-N 2.92Å; K434-M436 VanDerWaalsContact C-N 3.34Å; K434-G437 PolarHBondContact O-N 3.39Å; K434-A438 PolarHBondContact O-N 3.39Å; K434-A438 VanDerWaalsContact O-N 3.07Å; K434-V672 WeakPolarHBondContact CE-O 3.25Å; K434-V672 PolarHBondContact NZ-O 2.89Å; K434-F673 HydrophobicContact CD-CE1 4.17Å; K434-F673 HydrophobicContact CD-CZ 4.19Å; K434-F673 HydrophobicContact CG-CE1 4.05Å; K434-F673 HydrophobicContact CG-CE2 4.35Å; K434-F673 HydrophobicContact CG-CZ 3.63Å |
| 435 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -60.5 | -45.7 | 173.5 | -67.8 | 168.9 | 0 | 0 | 0 | 110.4 | L412 L416 E431 A432 G437 A438 Y439 L681 L722 L724 W727 | L412-I435 HydrophobicContact CD1-CB 4.21Å; L412-I435 HydrophobicContact CD1-CG2 3.77Å; L412-I435 HydrophobicContact CD2-CG2 4.17Å; L416-I435 HydrophobicContact CD1-CD1 4.08Å; E431-I435 WeakPolarHBondContact O-CG1 3.39Å; E431-I435 PolarHBondContact O-N 3.27Å; A432-I435 PolarHBondContact O-N 2.97Å; I435-G437 VanDerWaalsContact C-N 3.34Å; I435-G437 PolarHBondContact O-N 2.84Å; I435-A438 CarbonylContact O-C 3.58Å; I435-A438 WeakPolarHBondContact O-CA 3.33Å; I435-A438 WeakPolarHBondContact O-CB 3.34Å; I435-A438 PolarHBondContact O-N 3.34Å; I435-Y439 HydrophobicContact CG2-CD1 4.12Å; I435-Y439 HydrophobicContact CG2-CE1 3.57Å; I435-Y439 HydrophobicContact CG2-CE2 4.22Å; I435-Y439 WeakPolarHBondContact O-CD1 3.4Å; I435-Y439 PolarHBondContact O-N 3.35Å; I435-L681 HydrophobicContact CG2-CD2 4.29Å; I435-L722 HydrophobicContact CG2-CD2 3.85Å; I435-L724 HydrophobicContact CD1-CD2 3.89Å; I435-W727 HydrophobicContact CD1-CD2 4.12Å; I435-W727 HydrophobicContact CD1-CG 4.4Å; I435-W727 HydrophobicContact CD1-CZ2 4.06Å; I435-W727 HydrophobicContact CG1-CZ2 3.7Å |
| 436 | M | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -60.8 | -41.6 | 178.3 | -73.1 | -74 | -82 | 0 | 0 | 112.1 | L319 Y323 F405 E408 H409 L412 A432 R433 K434 A438 Y439 T440 | L319-M436 VanDerWaalsContact CD1-C 3.44Å; L319-M436 HydrophobicContact CD1-CB 3.59Å; L319-M436 HydrophobicContact CD1-CE 4.2Å; L319-M436 VanDerWaalsContact CD1-O 3.23Å; L319-M436 WeakPolarHBondContact CD1-O 3.39Å; Y323-M436 HydrophobicContact CE2-CB 4.33Å; Y323-M436 WeakPolarHBondContact OH-CB 3.45Å; Y323-M436 WeakPolarHBondContact OH-CG 3.18Å; F405-M436 HydrophobicContact CB-CE 3.86Å; F405-M436 HydrophobicContact CD1-CE 3.55Å; F405-M436 HydrophobicContact CD1-SD 4.4Å; F405-M436 HydrophobicContact CG-CE 4.19Å; F405-M436 WeakPolarHBondContact O-CE 3.36Å; E408-M436 HydrophobicContact CB-CE 3.96Å; E408-M436 HydrophobicContact CB-SD 3.93Å; E408-M436 HydrophobicContact CG-CE 4.07Å; E408-M436 HydrophobicContact CG-SD 3.34Å; E408-M436 WeakPolarHBondContact CG-SD 3.37Å; H409-M436 HydrophobicContact CB-CE 4.32Å; L412-M436 HydrophobicContact CD1-CG 3.64Å; L412-M436 HydrophobicContact CD1-SD 3.82Å; A432-M436 WeakPolarHBondContact O-CB 3.2Å; A432-M436 WeakPolarHBondContact O-CG 3.27Å; A432-M436 PolarHBondContact O-N 3.42Å; R433-M436 PolarHBondContact O-N 2.89Å; K434-M436 VanDerWaalsContact C-N 3.34Å; M436-A438 VanDerWaalsContact C-N 3.33Å; M436-A438 PolarHBondContact O-N 2.95Å; M436-Y439 WeakPolarHBondContact O-CB 3.2Å; M436-Y439 PolarHBondContact O-N 3.36Å; M436-Y439 HydrophobicContact SD-CD2 3.86Å; M436-Y439 HydrophobicContact SD-CE2 4.17Å; M436-T440 PolarHBondContact O-N 3.09Å; M436-T440 VanDerWaalsContact O-N 3.1Å |
| 437 | G | 98.6 | Very high | 98.3 | Very high | 5 Ų | 5 | 12.3 Ų | 12.3 | 5% | 0.052 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -57.3 | -44 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R433 K434 I435 Y439 T440 Q441 | R433-G437 PolarHBondContact O-N 2.89Å; K434-G437 PolarHBondContact O-N 3.39Å; I435-G437 VanDerWaalsContact C-N 3.34Å; I435-G437 PolarHBondContact O-N 2.84Å; G437-Y439 PolarHBondContact O-N 3.28Å; G437-T440 WeakPolarHBondContact O-CG2 3.46Å; G437-T440 PolarHBondContact O-N 3.39Å; G437-Q441 WeakPolarHBondContact O-CB 3.13Å; G437-Q441 WeakPolarHBondContact O-CG 3.3Å; G437-Q441 PolarHBondContact O-N 3.02Å; G437-Q441 VanDerWaalsContact O-N 3.07Å |
| 438 | A | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 10.8 Ų | 10.8 | 1% | 0.008 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -66.1 | -35.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | K434 I435 M436 T442 H667 F673 L681 | K434-A438 PolarHBondContact O-N 3.39Å; K434-A438 VanDerWaalsContact O-N 3.07Å; I435-A438 CarbonylContact O-C 3.58Å; I435-A438 WeakPolarHBondContact O-CA 3.33Å; I435-A438 WeakPolarHBondContact O-CB 3.34Å; I435-A438 PolarHBondContact O-N 3.34Å; M436-A438 VanDerWaalsContact C-N 3.33Å; M436-A438 PolarHBondContact O-N 2.95Å; A438-T442 WeakPolarHBondContact O-CB 3.27Å; A438-T442 PolarHBondContact O-N 3.35Å; A438-T442 PolarHBondContact O-OG1 3.36Å; A438-H667 HydrophobicContact CB-CB 3.61Å; A438-F673 HydrophobicContact CB-CE2 3.67Å; A438-F673 HydrophobicContact CB-CZ 3.79Å; A438-L681 HydrophobicContact CB-CD1 3.81Å; A438-L681 HydrophobicContact CB-CD2 3.86Å; A438-L681 HydrophobicContact CB-CG 4.41Å |
| 439 | Y | 98.2 | Very high | 98.3 | Very high | 1 Ų | 1 | 10.8 Ų | 10.8 | 0% | 0.004 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -59.2 | -53.1 | 173 | -71.6 | -4.8 | 0 | 0 | 0 | 111.4 | E408 L412 I435 M436 G437 Q441 T442 F443 L681 V684 I689 L722 | E408-Y439 HydrophobicContact CG-CD2 4.42Å; E408-Y439 HydrophobicContact CG-CE2 3.94Å; E408-Y439 VanDerWaalsContact OE1-CE2 3.28Å; E408-Y439 WeakPolarHBondContact OE1-CE2 3.37Å; E408-Y439 PolarHBondContact OE1-OH 3.32Å; L412-Y439 HydrophobicContact CD1-CE2 4.11Å; I435-Y439 HydrophobicContact CG2-CD1 4.12Å; I435-Y439 HydrophobicContact CG2-CE1 3.57Å; I435-Y439 HydrophobicContact CG2-CE2 4.22Å; I435-Y439 WeakPolarHBondContact O-CD1 3.4Å; I435-Y439 PolarHBondContact O-N 3.35Å; M436-Y439 WeakPolarHBondContact O-CB 3.2Å; M436-Y439 PolarHBondContact O-N 3.36Å; M436-Y439 HydrophobicContact SD-CD2 3.86Å; M436-Y439 HydrophobicContact SD-CE2 4.17Å; G437-Y439 PolarHBondContact O-N 3.28Å; Y439-Q441 VanDerWaalsContact C-N 3.31Å; Y439-Q441 PolarHBondContact O-N 3.03Å; Y439-T442 WeakPolarHBondContact O-CB 3.28Å; Y439-T442 PolarHBondContact O-N 3.25Å; Y439-T442 VanDerWaalsContact O-N 3.12Å; Y439-F443 HydrophobicContact CG-CE2 4.47Å; Y439-F443 HydrophobicContact CG-CZ 4.25Å; Y439-F443 WeakPolarHBondContact O-CD2 3.23Å; Y439-F443 WeakPolarHBondContact O-CG 3.35Å; Y439-F443 PolarHBondContact O-N 3.49Å; Y439-L681 HydrophobicContact CD1-CD2 3.87Å; Y439-L681 HydrophobicContact CE1-CD2 3.82Å; Y439-V684 HydrophobicContact CD1-CB 4.24Å; Y439-V684 HydrophobicContact CD1-CG1 4.23Å; Y439-V684 HydrophobicContact CD1-CG2 3.73Å; Y439-V684 HydrophobicContact CE1-CB 4.09Å; Y439-V684 HydrophobicContact CE1-CG1 3.67Å; Y439-V684 HydrophobicContact CE1-CG2 4.07Å; Y439-V684 HydrophobicContact CG-CG2 4.49Å; Y439-I689 HydrophobicContact CD2-CD1 3.93Å; Y439-I689 HydrophobicContact CD2-CG1 4.48Å; Y439-I689 HydrophobicContact CE2-CD1 3.46Å; Y439-I689 VanDerWaalsContact CE2-CD1 3.46Å; Y439-I689 HydrophobicContact CE2-CG1 4.45Å; Y439-L722 HydrophobicContact CE1-CD2 3.93Å; Y439-L722 WeakPolarHBondContact OH-CB 3.47Å; Y439-L722 WeakPolarHBondContact OH-CD2 3.35Å |
| 440 | T | 97.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -61.8 | -41.9 | -178.4 | -167.6 | 0 | 0 | 0 | 0 | 111.1 | L317 L319 M436 G437 T442 F443 V444 | L317-T440 HydrophobicContact CB-CG2 4.1Å; L319-T440 HydrophobicContact CD1-CG2 4.32Å; L319-T440 HydrophobicContact CD2-CG2 4.06Å; L319-T440 HydrophobicContact CG-CG2 3.72Å; M436-T440 PolarHBondContact O-N 3.09Å; M436-T440 VanDerWaalsContact O-N 3.1Å; G437-T440 WeakPolarHBondContact O-CG2 3.46Å; G437-T440 PolarHBondContact O-N 3.39Å; T440-T442 VanDerWaalsContact C-N 3.29Å; T440-T442 PolarHBondContact O-N 2.89Å; T440-F443 PolarHBondContact O-N 3.08Å; T440-V444 WeakPolarHBondContact O-CB 3.43Å; T440-V444 WeakPolarHBondContact O-CG2 3.46Å; T440-V444 PolarHBondContact O-N 3.43Å |
| 441 | Q | 98.4 | Very high | 98.2 | Very high | 2 Ų | 2 | 12.8 Ų | 12.8 | 1% | 0.009 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -59.2 | -41.3 | 175.7 | -71.6 | -179.6 | 5.7 | 0 | 0 | 112.2 | L317 G437 Y439 F445 D663 W666 H667 | L317-Q441 HydrophobicContact CB-CG 3.88Å; L317-Q441 PolarHBondContact O-NE2 2.83Å; L317-Q441 VanDerWaalsContact O-NE2 3.13Å; G437-Q441 WeakPolarHBondContact O-CB 3.13Å; G437-Q441 WeakPolarHBondContact O-CG 3.3Å; G437-Q441 PolarHBondContact O-N 3.02Å; G437-Q441 VanDerWaalsContact O-N 3.07Å; Y439-Q441 VanDerWaalsContact C-N 3.31Å; Y439-Q441 PolarHBondContact O-N 3.03Å; Q441-F445 PolarHBondContact O-N 2.79Å; Q441-D663 PolarHBondContact NE2-OD2 2.75Å; Q441-W666 HydrophobicContact CB-CE3 4.38Å; Q441-W666 HydrophobicContact CB-CH2 3.58Å; Q441-W666 HydrophobicContact CB-CZ2 4.21Å; Q441-W666 HydrophobicContact CB-CZ3 3.71Å; Q441-W666 VanDerWaalsContact CD-CZ3 3.46Å; Q441-W666 HydrophobicContact CG-CE3 3.91Å; Q441-W666 HydrophobicContact CG-CH2 3.86Å; Q441-W666 HydrophobicContact CG-CZ3 3.41Å; Q441-W666 VanDerWaalsContact CG-CZ3 3.41Å; Q441-W666 VanDerWaalsContact OE1-CE3 3.27Å; Q441-H667 WeakPolarHBondContact CB-ND1 3.39Å; Q441-H667 PolarHBondContact OE1-ND1 3.5Å |
| 442 | T | 97.8 | Very high | 98.1 | Very high | 9 Ų | 9 | 12.5 Ų | 12.5 | 6% | 0.055 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -65.8 | -53.5 | 176.6 | -58.3 | 0 | 0 | 0 | 0 | 111 | A438 Y439 T440 V444 F445 R446 V684 | A438-T442 WeakPolarHBondContact O-CB 3.27Å; A438-T442 PolarHBondContact O-N 3.35Å; A438-T442 PolarHBondContact O-OG1 3.36Å; Y439-T442 WeakPolarHBondContact O-CB 3.28Å; Y439-T442 PolarHBondContact O-N 3.25Å; Y439-T442 VanDerWaalsContact O-N 3.12Å; T440-T442 VanDerWaalsContact C-N 3.29Å; T440-T442 PolarHBondContact O-N 2.89Å; T442-V444 VanDerWaalsContact C-N 3.31Å; T442-V444 PolarHBondContact O-N 3.17Å; T442-F445 PolarHBondContact O-N 2.73Å; T442-R446 HydrophobicContact CG2-CB 4.49Å; T442-R446 WeakPolarHBondContact O-CB 3.17Å; T442-R446 PolarHBondContact O-N 3.21Å; T442-V684 HydrophobicContact CG2-CG2 4.36Å |
| 443 | F | 98.2 | Very high | 98.1 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.06 | C | C | . | . | I | π-helix | trans | -59.9 | -43.4 | -178.3 | -56.8 | -25.4 | 0 | 0 | 0 | 111.3 | F226 F405 Y439 T440 D447 Y448 V684 T685 L686 I689 | F226-F443 HydrophobicContact CE1-CB 4.22Å; F226-F443 HydrophobicContact CZ-CB 3.91Å; F226-F443 HydrophobicContact CZ-CD2 4.39Å; F405-F443 HydrophobicContact CE1-CE2 4.43Å; F405-F443 HydrophobicContact CZ-CE2 4.42Å; Y439-F443 HydrophobicContact CG-CE2 4.47Å; Y439-F443 HydrophobicContact CG-CZ 4.25Å; Y439-F443 WeakPolarHBondContact O-CD2 3.23Å; Y439-F443 WeakPolarHBondContact O-CG 3.35Å; Y439-F443 PolarHBondContact O-N 3.49Å; T440-F443 PolarHBondContact O-N 3.08Å; F443-D447 CarbonylContact O-C 3.47Å; F443-D447 WeakPolarHBondContact O-CA 3.38Å; F443-D447 WeakPolarHBondContact O-CB 3.3Å; F443-D447 PolarHBondContact O-N 2.69Å; F443-Y448 PolarHBondContact O-N 3.21Å; F443-V684 HydrophobicContact CE1-CB 4.37Å; F443-V684 HydrophobicContact CE1-CG2 3.77Å; F443-V684 HydrophobicContact CZ-CG2 4.22Å; F443-T685 VanDerWaalsContact CE1-C 3.49Å; F443-L686 HydrophobicContact CD2-CB 4.47Å; F443-L686 HydrophobicContact CE2-CB 4.46Å; F443-L686 HydrophobicContact CE2-CD1 4.38Å; F443-I689 HydrophobicContact CE2-CG1 4.2Å; F443-I689 HydrophobicContact CZ-CG1 3.89Å |
| 444 | V | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.058 | C | C | . | . | I | π-helix | trans | -64 | -50.2 | -178.6 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | F226 N230 L317 T440 T442 Y448 L449 F656 | F226-V444 HydrophobicContact CE1-CG2 3.93Å; N230-V444 VanDerWaalsContact OD1-CG2 3.25Å; N230-V444 WeakPolarHBondContact OD1-CG2 3.44Å; L317-V444 HydrophobicContact CD1-CB 3.76Å; L317-V444 HydrophobicContact CD1-CG1 3.68Å; L317-V444 HydrophobicContact CD1-CG2 4.03Å; L317-V444 HydrophobicContact CD2-CG2 4.19Å; T440-V444 WeakPolarHBondContact O-CB 3.43Å; T440-V444 WeakPolarHBondContact O-CG2 3.46Å; T440-V444 PolarHBondContact O-N 3.43Å; T442-V444 VanDerWaalsContact C-N 3.31Å; T442-V444 PolarHBondContact O-N 3.17Å; V444-Y448 PolarHBondContact O-N 3.27Å; V444-L449 HydrophobicContact CG1-CD1 4.01Å; V444-L449 HydrophobicContact CG1-CG 4.01Å; V444-L449 WeakPolarHBondContact O-CB 3.37Å; V444-L449 VanDerWaalsContact O-CG 3.24Å; V444-L449 WeakPolarHBondContact O-CG 3.24Å; V444-L449 PolarHBondContact O-N 2.92Å; V444-F656 HydrophobicContact CG1-CD1 4.04Å; V444-F656 HydrophobicContact CG1-CE1 3.54Å; V444-F656 HydrophobicContact CG1-CZ 4.22Å |
| 445 | F | 98.3 | Very high | 98 | Very high | 14 Ų | 14 | 13.6 Ų | 13.6 | 6% | 0.061 | 7% | 0.071 | C | C | . | . | I | π-helix | trans | -80.9 | -37.6 | -174.2 | -84.3 | -105.5 | 0 | 0 | 0 | 114.1 | L317 Q441 T442 L449 M458 L462 F656 R660 W666 | L317-F445 HydrophobicContact CD1-CD2 4.18Å; L317-F445 HydrophobicContact CD1-CE2 3.78Å; Q441-F445 PolarHBondContact O-N 2.79Å; T442-F445 PolarHBondContact O-N 2.73Å; F445-L449 HydrophobicContact CD1-CD1 4.23Å; F445-L449 HydrophobicContact CD2-CD1 4.24Å; F445-L449 HydrophobicContact CE1-CD1 4.3Å; F445-L449 HydrophobicContact CE2-CD1 4.32Å; F445-L449 HydrophobicContact CG-CD1 4.21Å; F445-L449 HydrophobicContact CZ-CD1 4.34Å; F445-M458 VanDerWaalsContact O-CE 3.27Å; F445-M458 WeakPolarHBondContact O-CE 3.43Å; F445-L462 HydrophobicContact CE1-CD2 3.98Å; F445-F656 HydrophobicContact CE1-CB 4.35Å; F445-F656 AromaticContact CE2-CD1 3.9Å; F445-F656 HydrophobicContact CE2-CD1 3.9Å; F445-F656 HydrophobicContact CZ-CB 3.87Å; F445-F656 HydrophobicContact CZ-CD1 4.04Å; F445-F656 HydrophobicContact CZ-CG 4.44Å; F445-F656 WeakPolarHBondContact CZ-O 2.59Å; F445-R660 HydrophobicContact CE1-CB 3.89Å; F445-R660 VanDerWaalsContact CE1-CD 3.45Å; F445-R660 HydrophobicContact CE1-CG 4.23Å; F445-R660 HydrophobicContact CE2-CB 4.41Å; F445-R660 HydrophobicContact CZ-CB 3.58Å; F445-R660 HydrophobicContact CZ-CG 4.27Å; F445-W666 AromaticContact CD2-CH2 3.41Å; F445-W666 HydrophobicContact CD2-CH2 3.41Å; F445-W666 VanDerWaalsContact CD2-CH2 3.41Å; F445-W666 HydrophobicContact CD2-CZ2 4.16Å; F445-W666 HydrophobicContact CD2-CZ3 4.31Å; F445-W666 AromaticContact CE2-CH2 3.43Å; F445-W666 HydrophobicContact CE2-CH2 3.43Å; F445-W666 VanDerWaalsContact CE2-CH2 3.43Å; F445-W666 HydrophobicContact CE2-CZ2 4.37Å; F445-W666 AromaticContact CE2-CZ3 3.95Å; F445-W666 HydrophobicContact CE2-CZ3 3.95Å; F445-W666 AromaticContact CG-CH2 4Å; F445-W666 HydrophobicContact CG-CH2 4Å; F445-W666 HydrophobicContact CG-CZ2 4.3Å; F445-W666 HydrophobicContact CZ-CH2 4.06Å |
| 446 | R | 97.1 | Very high | 97.9 | Very high | 94 Ų | 94 | 16.6 Ų | 16.6 | 36% | 0.355 | 9% | 0.088 | S | C | . | . | I | π-helix | trans | -85.5 | -41.5 | -175.7 | -167.5 | -170.1 | 69 | -158.5 | -9.8 | 111.8 | T442 P450 S682 V684 | T442-R446 HydrophobicContact CG2-CB 4.49Å; T442-R446 WeakPolarHBondContact O-CB 3.17Å; T442-R446 PolarHBondContact O-N 3.21Å; R446-P450 WeakPolarHBondContact O-CG 3.26Å; R446-S682 PolarHBondContact NH1-O 3.08Å; R446-V684 PolarHBondContact NH1-O 3.02Å; R446-V684 PolarHBondContact NH2-O 3.5Å |
| 447 | D | 96.9 | Very high | 97.9 | Very high | 28 Ų | 28 | 17.4 Ų | 17.4 | 15% | 0.15 | 9% | 0.094 | C | C | . | . | I | π-helix | trans | -109.8 | -36.2 | -166.2 | -52.4 | -28.8 | 0 | 0 | 0 | 112.6 | F443 H451 F704 | F443-D447 CarbonylContact O-C 3.47Å; F443-D447 WeakPolarHBondContact O-CA 3.38Å; F443-D447 WeakPolarHBondContact O-CB 3.3Å; F443-D447 PolarHBondContact O-N 2.69Å; D447-H451 PolarHBondContact O-CD2 2.74Å; D447-H451 PolarHBondContact O-NE2 2.96Å; D447-F704 HydrophobicContact CB-CD2 3.68Å; D447-F704 HydrophobicContact CB-CE2 3.52Å |
| 448 | Y | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 0% | 0.004 | 10% | 0.098 | C | C | . | . | I | π-helix | trans | -93.2 | -55.3 | -174 | 173.2 | -100.7 | 0 | 0 | 0 | 113.8 | V223 F226 G227 N230 F443 V444 P450 H451 I452 Y485 F704 | V223-Y448 HydrophobicContact CG1-CE2 4.02Å; V223-Y448 WeakPolarHBondContact O-CE2 3.34Å; F226-Y448 HydrophobicContact CB-CD2 4.29Å; F226-Y448 HydrophobicContact CB-CE2 4.41Å; F226-Y448 AromaticContact CD1-CD2 3.8Å; F226-Y448 HydrophobicContact CD1-CD2 3.8Å; F226-Y448 HydrophobicContact CD1-CE2 4.47Å; F226-Y448 AromaticContact CD1-CG 3.88Å; F226-Y448 HydrophobicContact CD1-CG 3.88Å; F226-Y448 HydrophobicContact CE1-CG 4.47Å; G227-Y448 WeakPolarHBondContact CA-OH 3.33Å; N230-Y448 WeakPolarHBondContact ND2-CD1 3.24Å; N230-Y448 WeakPolarHBondContact ND2-CE1 3.46Å; F443-Y448 PolarHBondContact O-N 3.21Å; V444-Y448 PolarHBondContact O-N 3.27Å; Y448-P450 VanDerWaalsContact C-N 3.35Å; Y448-H451 WeakPolarHBondContact O-CB 3.11Å; Y448-H451 PolarHBondContact O-N 3.17Å; Y448-I452 HydrophobicContact CD1-CG1 4.15Å; Y448-I452 HydrophobicContact CD2-CG1 4.42Å; Y448-I452 HydrophobicContact CE1-CD1 4.41Å; Y448-I452 HydrophobicContact CE1-CG1 3.6Å; Y448-I452 HydrophobicContact CE2-CD1 3.88Å; Y448-I452 HydrophobicContact CE2-CG1 3.9Å; Y448-I452 VanDerWaalsContact CZ-CG1 3.45Å; Y448-Y485 VanDerWaalsContact CE1-OH 3.26Å; Y448-Y485 WeakPolarHBondContact CE1-OH 3.47Å; Y448-F704 HydrophobicContact CD2-CD1 4.46Å; Y448-F704 HydrophobicContact CD2-CE1 4.33Å |
| 449 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.5 | -35 | -174.4 | -74.2 | 176.4 | 0 | 0 | 0 | 114.9 | V444 F445 H451 I452 V453 M458 L462 I652 F656 | V444-L449 HydrophobicContact CG1-CD1 4.01Å; V444-L449 HydrophobicContact CG1-CG 4.01Å; V444-L449 WeakPolarHBondContact O-CB 3.37Å; V444-L449 VanDerWaalsContact O-CG 3.24Å; V444-L449 WeakPolarHBondContact O-CG 3.24Å; V444-L449 PolarHBondContact O-N 2.92Å; F445-L449 HydrophobicContact CD1-CD1 4.23Å; F445-L449 HydrophobicContact CD2-CD1 4.24Å; F445-L449 HydrophobicContact CE1-CD1 4.3Å; F445-L449 HydrophobicContact CE2-CD1 4.32Å; F445-L449 HydrophobicContact CG-CD1 4.21Å; F445-L449 HydrophobicContact CZ-CD1 4.34Å; L449-H451 PolarHBondContact O-N 3.15Å; L449-I452 PolarHBondContact O-N 2.88Å; L449-V453 WeakPolarHBondContact O-CG2 3.19Å; L449-V453 PolarHBondContact O-N 3.37Å; L449-M458 HydrophobicContact CB-SD 3.97Å; L449-L462 HydrophobicContact CD1-CD1 3.94Å; L449-I652 HydrophobicContact CD2-CG2 4.24Å; L449-F656 HydrophobicContact CD1-CB 3.78Å; L449-F656 HydrophobicContact CD1-CD1 3.72Å; L449-F656 HydrophobicContact CD1-CD2 4.02Å; L449-F656 HydrophobicContact CD1-CE1 4.34Å; L449-F656 HydrophobicContact CD1-CG 3.54Å; L449-F656 HydrophobicContact CD2-CD1 4.45Å; L449-F656 HydrophobicContact CD2-CD2 3.61Å; L449-F656 HydrophobicContact CD2-CE2 3.67Å; L449-F656 HydrophobicContact CD2-CG 4.03Å; L449-F656 HydrophobicContact CD2-CZ 4.13Å; L449-F656 HydrophobicContact CG-CD2 4.47Å; L449-F656 HydrophobicContact CG-CG 4.42Å |
| 450 | P | 97.4 | Very high | 97.6 | Very high | 36 Ų | 36 | 36.8 Ų | 36.8 | 23% | 0.234 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -55.7 | -35.5 | 174.8 | -27.1 | 35.9 | 0 | 0 | 0 | 113.8 | R446 Y448 I452 G454 M458 | R446-P450 WeakPolarHBondContact O-CG 3.26Å; Y448-P450 VanDerWaalsContact C-N 3.35Å; P450-I452 VanDerWaalsContact C-N 3.3Å; P450-G454 VanDerWaalsContact O-CA 3.25Å; P450-G454 WeakPolarHBondContact O-CA 3.26Å; P450-G454 PolarHBondContact O-N 3.35Å; P450-G454 VanDerWaalsContact O-N 3.17Å; P450-M458 HydrophobicContact CB-CG 4.12Å; P450-M458 HydrophobicContact CG-CE 4.07Å; P450-M458 HydrophobicContact CG-CG 4.09Å; P450-M458 HydrophobicContact CG-SD 4.2Å |
| 451 | H | 96.8 | Very high | 97.6 | Very high | 26 Ų | 26 | 39.1 Ų | 39.1 | 12% | 0.12 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -74.4 | -22.3 | 178.1 | -55.6 | -44.2 | 0 | 0 | 0 | 112.9 | Y219 D447 Y448 L449 G642 R643 D702 | Y219-H451 HydrophobicContact CD1-CB 4.21Å; Y219-H451 AromaticContact CD1-CG 3.93Å; Y219-H451 AromaticContact CD1-ND1 3.83Å; Y219-H451 HydrophobicContact CD2-CB 4.23Å; Y219-H451 HydrophobicContact CE1-CB 3.83Å; Y219-H451 AromaticContact CE1-CE1 3.64Å; Y219-H451 AromaticContact CE1-CG 3.48Å; Y219-H451 VanDerWaalsContact CE1-CG 3.48Å; Y219-H451 AromaticContact CE1-ND1 3.01Å; Y219-H451 WeakPolarHBondContact CE1-ND1 3.44Å; Y219-H451 HydrophobicContact CE2-CB 3.76Å; Y219-H451 HydrophobicContact CG-CB 4.45Å; Y219-H451 AromaticContact CZ-CG 3.71Å; Y219-H451 AromaticContact CZ-ND1 3.35Å; Y219-H451 PolarHBondContact OH-ND1 2.93Å; D447-H451 PolarHBondContact O-CD2 2.74Å; D447-H451 PolarHBondContact O-NE2 2.96Å; Y448-H451 WeakPolarHBondContact O-CB 3.11Å; Y448-H451 PolarHBondContact O-N 3.17Å; L449-H451 PolarHBondContact O-N 3.15Å; H451-G642 CarbonylContact O-C 3.22Å; H451-G642 WeakPolarHBondContact O-CA 3.47Å; H451-R643 PolarHBondContact O-N 3.45Å; H451-R643 VanDerWaalsContact O-N 3.15Å; H451-D702 IonicContact NE2-OD2 2.81Å |
| 452 | I | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -91 | -64.2 | -178.1 | -55.1 | -46.7 | 0 | 0 | 0 | 110.5 | V223 Y448 L449 P450 F487 G642 R643 V644 I652 | V223-I452 HydrophobicContact CG1-CD1 3.77Å; Y448-I452 HydrophobicContact CD1-CG1 4.15Å; Y448-I452 HydrophobicContact CD2-CG1 4.42Å; Y448-I452 HydrophobicContact CE1-CD1 4.41Å; Y448-I452 HydrophobicContact CE1-CG1 3.6Å; Y448-I452 HydrophobicContact CE2-CD1 3.88Å; Y448-I452 HydrophobicContact CE2-CG1 3.9Å; Y448-I452 VanDerWaalsContact CZ-CG1 3.45Å; L449-I452 PolarHBondContact O-N 2.88Å; P450-I452 VanDerWaalsContact C-N 3.3Å; I452-F487 HydrophobicContact CB-CZ 4.45Å; I452-F487 HydrophobicContact CD1-CE2 4.03Å; I452-F487 HydrophobicContact CD1-CZ 3.72Å; I452-F487 HydrophobicContact CG1-CZ 4.1Å; I452-F487 HydrophobicContact CG2-CE1 3.87Å; I452-F487 HydrophobicContact CG2-CE2 4.14Å; I452-F487 HydrophobicContact CG2-CZ 3.53Å; I452-G642 CarbonylContact O-C 3.51Å; I452-G642 VanDerWaalsContact O-CA 3.23Å; I452-G642 WeakPolarHBondContact O-CA 3.5Å; I452-R643 PolarHBondContact O-N 3.45Å; I452-V644 HydrophobicContact CG2-CG1 4.04Å; I452-V644 HydrophobicContact CG2-CG2 4.35Å; I452-V644 WeakPolarHBondContact O-CG2 3.23Å; I452-V644 PolarHBondContact O-N 3.37Å; I452-I652 HydrophobicContact CG2-CD1 4.16Å |
| 453 | V | 98.5 | Very high | 97.3 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.012 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -89.8 | -7.7 | -171.8 | -57.8 | 0 | 0 | 0 | 0 | 113.5 | L449 A457 M458 L462 V639 A649 I652 A653 | L449-V453 WeakPolarHBondContact O-CG2 3.19Å; L449-V453 PolarHBondContact O-N 3.37Å; V453-A457 HydrophobicContact CB-CB 3.8Å; V453-A457 HydrophobicContact CG2-CB 3.69Å; V453-M458 HydrophobicContact CG2-CG 4.31Å; V453-M458 HydrophobicContact CG2-SD 3.97Å; V453-L462 HydrophobicContact CG2-CD1 3.96Å; V453-V639 WeakPolarHBondContact O-CG2 3.46Å; V453-A649 HydrophobicContact CB-CB 4.38Å; V453-I652 HydrophobicContact CG1-CB 3.93Å; V453-I652 HydrophobicContact CG1-CG2 3.65Å; V453-A653 HydrophobicContact CG1-CB 4.42Å |
| 454 | G | 97.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | 77.7 | 165.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | P450 D456 A457 M458 | P450-G454 VanDerWaalsContact O-CA 3.25Å; P450-G454 WeakPolarHBondContact O-CA 3.26Å; P450-G454 PolarHBondContact O-N 3.35Å; P450-G454 VanDerWaalsContact O-N 3.17Å; G454-D456 VanDerWaalsContact C-N 3.25Å; G454-D456 PolarHBondContact O-N 2.76Å; G454-A457 PolarHBondContact O-N 3.05Å; G454-M458 WeakPolarHBondContact O-CG 3.38Å; G454-M458 PolarHBondContact O-N 3.23Å; G454-M458 VanDerWaalsContact O-N 3.17Å |
| 455 | P | 96.9 | Very high | 97.1 | Very high | 65 Ų | 65 | 53 Ų | 53 | 42% | 0.422 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.4 | -25.5 | -175 | 25.4 | -35.2 | 0 | 0 | 0 | 113.9 | R459 P640 | P455-R459 WeakPolarHBondContact O-CB 3.25Å; P455-R459 VanDerWaalsContact O-CG 3.27Å; P455-R459 WeakPolarHBondContact O-CG 3.39Å; P455-R459 PolarHBondContact O-N 2.94Å; P455-R459 PolarHBondContact O-NE 2.89Å; P455-P640 VanDerWaalsContact CD-O 3.32Å; P455-P640 WeakPolarHBondContact CD-O 3.36Å |
| 456 | D | 97.1 | Very high | 97 | Very high | 64 Ų | 64 | 56.5 Ų | 56.5 | 34% | 0.342 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -70.1 | -47.6 | 179.7 | -80.7 | -7.2 | 0 | 0 | 0 | 112.3 | G454 M458 R459 R460 | G454-D456 VanDerWaalsContact C-N 3.25Å; G454-D456 PolarHBondContact O-N 2.76Å; D456-M458 VanDerWaalsContact C-N 3.32Å; D456-R459 PolarHBondContact O-N 2.99Å; D456-R459 IonicContact OD1-CZ 3.76Å; D456-R459 IonicContact OD1-NE 2.92Å; D456-R459 IonicContact OD1-NH2 3.8Å; D456-R459 PolarHBondContact OD1-NH2 3.34Å; D456-R460 WeakPolarHBondContact O-CB 3.43Å; D456-R460 WeakPolarHBondContact O-CG 3.27Å; D456-R460 PolarHBondContact O-N 2.98Å; D456-R460 IonicContact OD2-NH2 3.99Å |
| 457 | A | 97.9 | Very high | 97.1 | Very high | 17 Ų | 17 | 53.2 Ų | 53.2 | 14% | 0.14 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.8 | -38.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V453 G454 Q461 L462 A653 | V453-A457 HydrophobicContact CB-CB 3.8Å; V453-A457 HydrophobicContact CG2-CB 3.69Å; G454-A457 PolarHBondContact O-N 3.05Å; A457-Q461 WeakPolarHBondContact O-CB 3.4Å; A457-Q461 PolarHBondContact O-N 2.87Å; A457-L462 PolarHBondContact O-N 2.97Å; A457-L462 VanDerWaalsContact O-N 3.15Å; A457-A653 HydrophobicContact CB-CB 4.16Å |
| 458 | M | 98 | Very high | 97.1 | Very high | 28 Ų | 28 | 54.3 Ų | 54.3 | 14% | 0.138 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -58.4 | -50.4 | 172.7 | -67.6 | -52.7 | -61.2 | 0 | 0 | 111.7 | F445 L449 P450 V453 G454 D456 L462 G463 | F445-M458 VanDerWaalsContact O-CE 3.27Å; F445-M458 WeakPolarHBondContact O-CE 3.43Å; L449-M458 HydrophobicContact CB-SD 3.97Å; P450-M458 HydrophobicContact CB-CG 4.12Å; P450-M458 HydrophobicContact CG-CE 4.07Å; P450-M458 HydrophobicContact CG-CG 4.09Å; P450-M458 HydrophobicContact CG-SD 4.2Å; V453-M458 HydrophobicContact CG2-CG 4.31Å; V453-M458 HydrophobicContact CG2-SD 3.97Å; G454-M458 WeakPolarHBondContact O-CG 3.38Å; G454-M458 PolarHBondContact O-N 3.23Å; G454-M458 VanDerWaalsContact O-N 3.17Å; D456-M458 VanDerWaalsContact C-N 3.32Å; M458-L462 HydrophobicContact CE-CB 3.92Å; M458-L462 CarbonylContact O-C 3.42Å; M458-L462 PolarHBondContact O-N 3.17Å; M458-L462 HydrophobicContact SD-CB 3.8Å; M458-L462 HydrophobicContact SD-CD1 3.72Å; M458-L462 HydrophobicContact SD-CG 4.43Å; M458-G463 WeakPolarHBondContact O-CA 3.37Å; M458-G463 PolarHBondContact O-N 2.99Å |
| 459 | R | 96.4 | Very high | 97.1 | Very high | 184 Ų | 184 | 57.3 Ų | 57.3 | 69% | 0.694 | 28% | 0.277 | S | S | * | . | I | π-helix | trans | -66.9 | -42.1 | -179.1 | -74 | -176 | -61.5 | -175.7 | 2.6 | 113.2 | P455 D456 | P455-R459 WeakPolarHBondContact O-CB 3.25Å; P455-R459 VanDerWaalsContact O-CG 3.27Å; P455-R459 WeakPolarHBondContact O-CG 3.39Å; P455-R459 PolarHBondContact O-N 2.94Å; P455-R459 PolarHBondContact O-NE 2.89Å; D456-R459 PolarHBondContact O-N 2.99Å; D456-R459 IonicContact OD1-CZ 3.76Å; D456-R459 IonicContact OD1-NE 2.92Å; D456-R459 IonicContact OD1-NH2 3.8Å; D456-R459 PolarHBondContact OD1-NH2 3.34Å |
| 460 | R | 95.4 | Very high | 97.1 | Very high | 202 Ų | 202 | 59.4 Ų | 59.4 | 76% | 0.762 | 29% | 0.291 | S | S | * | . | I | π-helix | trans | -82.9 | -31 | -172 | -66.2 | 179.6 | -168.6 | 159.4 | 9.1 | 113.8 | D456 | D456-R460 WeakPolarHBondContact O-CB 3.43Å; D456-R460 WeakPolarHBondContact O-CG 3.27Å; D456-R460 PolarHBondContact O-N 2.98Å; D456-R460 IonicContact OD2-NH2 3.99Å |
| 461 | Q | 97 | Very high | 97.1 | Very high | 49 Ų | 49 | 64.3 Ų | 64.3 | 23% | 0.229 | 32% | 0.315 | C | S | . | . | I | π-helix | trans | -129.1 | -43.4 | -167 | -168.2 | 172.7 | 6.2 | 0 | 0 | 113.9 | A457 A653 T654 Q657 | A457-Q461 WeakPolarHBondContact O-CB 3.4Å; A457-Q461 PolarHBondContact O-N 2.87Å; Q461-A653 VanDerWaalsContact OE1-CB 3.28Å; Q461-T654 PolarHBondContact NE2-OG1 3.15Å; Q461-T654 VanDerWaalsContact NE2-OG1 3.13Å; Q461-Q657 HydrophobicContact CG-CB 4.2Å; Q461-Q657 VanDerWaalsContact CG-CD 3.49Å; Q461-Q657 HydrophobicContact CG-CG 4.26Å; Q461-Q657 PolarHBondContact O-NE2 2.79Å |
| 462 | L | 97.8 | Very high | 97.2 | Very high | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | I | π-helix | trans | -103.9 | 8.4 | -172.3 | -63.9 | 177 | 0 | 0 | 0 | 114.6 | F445 L449 V453 A457 M458 A653 F656 Q657 R660 | F445-L462 HydrophobicContact CE1-CD2 3.98Å; L449-L462 HydrophobicContact CD1-CD1 3.94Å; V453-L462 HydrophobicContact CG2-CD1 3.96Å; A457-L462 PolarHBondContact O-N 2.97Å; A457-L462 VanDerWaalsContact O-N 3.15Å; M458-L462 HydrophobicContact CE-CB 3.92Å; M458-L462 CarbonylContact O-C 3.42Å; M458-L462 PolarHBondContact O-N 3.17Å; M458-L462 HydrophobicContact SD-CB 3.8Å; M458-L462 HydrophobicContact SD-CD1 3.72Å; M458-L462 HydrophobicContact SD-CG 4.43Å; L462-A653 HydrophobicContact CD1-CB 3.94Å; L462-A653 WeakPolarHBondContact CD2-O 3.48Å; L462-A653 HydrophobicContact CG-CB 4.1Å; L462-F656 HydrophobicContact CD1-CB 4.49Å; L462-F656 HydrophobicContact CD2-CB 3.95Å; L462-Q657 HydrophobicContact CD2-CB 3.92Å; L462-R660 VanDerWaalsContact C-NH2 3.27Å; L462-R660 PolarHBondContact O-NH1 2.98Å; L462-R660 PolarHBondContact O-NH2 3.31Å; L462-R660 VanDerWaalsContact O-NH2 3.14Å |
| 463 | G | 92.9 | Very high | 97.2 | Very high | 33 Ų | 33 | 65.7 Ų | 65.7 | 34% | 0.34 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -69.2 | -129.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | M458 Y465 R660 | M458-G463 WeakPolarHBondContact O-CA 3.37Å; M458-G463 PolarHBondContact O-N 2.99Å; G463-Y465 PolarHBondContact O-N 3.15Å; G463-R660 PolarHBondContact O-NH1 3.14Å; G463-R660 PolarHBondContact O-NH2 3.43Å |
| 464 | R | 94.5 | Very high | 97.2 | Very high | 243 Ų | 243 | 65.6 Ų | 65.6 | 92% | 0.917 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -53.2 | 132.8 | 179.8 | -173.5 | 176.5 | 177.8 | 178.9 | 0 | 111.4 | P466 | R464-P466 WeakPolarHBondContact O-CD 3.09Š|
| 465 | Y | 97.1 | Very high | 97.2 | Very high | 24 Ų | 24 | 66 Ų | 66 | 9% | 0.094 | 33% | 0.327 | C | S | . | . | trans | -64.5 | 122.3 | 177 | 176.8 | -124.4 | 0 | 0 | 0 | 110.9 | G463 G467 Y468 R660 W666 E668 K669 | G463-Y465 PolarHBondContact O-N 3.15Å; Y465-G467 VanDerWaalsContact C-N 3.32Å; Y465-G467 VanDerWaalsContact CE1-CA 3.47Å; Y465-G467 VanDerWaalsContact CZ-CA 3.48Å; Y465-G467 VanDerWaalsContact OH-C 3.27Å; Y465-Y468 WeakPolarHBondContact OH-CA 3.35Å; Y465-Y468 PolarHBondContact OH-N 3.3Å; Y465-R660 HydrophobicContact CD2-CG 3.56Å; Y465-R660 HydrophobicContact CE2-CG 3.66Å; Y465-R660 WeakPolarHBondContact CE2-O 3.18Å; Y465-W666 AromaticContact CD1-CD1 3.86Å; Y465-W666 AromaticContact CD2-CD1 3.94Å; Y465-W666 AromaticContact CD2-NE1 3.94Å; Y465-W666 AromaticContact CE1-CD1 3.54Å; Y465-W666 HydrophobicContact CE1-CG 4.45Å; Y465-W666 AromaticContact CE2-CD1 3.64Å; Y465-W666 HydrophobicContact CE2-CG 4.14Å; Y465-W666 AromaticContact CG-NE1 3.96Å; Y465-W666 AromaticContact CZ-CD1 3.4Å; Y465-W666 VanDerWaalsContact CZ-CD1 3.4Å; Y465-W666 AromaticContact CZ-CG 3.96Å; Y465-E668 WeakPolarHBondContact CB-OE2 3.34Å; Y465-E668 HydrophobicContact CD1-CB 3.7Å; Y465-E668 HydrophobicContact CE1-CB 4.22Å; Y465-E668 HydrophobicContact CG-CB 4.33Å; Y465-K669 HydrophobicContact CE1-CB 4.18Å | ||
| 466 | P | 96.9 | Very high | 97.3 | Very high | 88 Ų | 88 | 63 Ų | 63 | 57% | 0.571 | 31% | 0.307 | S | S | * | . | trans | -83.5 | -6.5 | -177.8 | 33.1 | -35.2 | 0 | 0 | 0 | 113.7 | R464 Q661 | R464-P466 WeakPolarHBondContact O-CD 3.09Å; P466-Q661 HydrophobicContact CG-CG 3.86Å | ||
| 467 | G | 97.9 | Very high | 97.4 | Very high | 24 Ų | 24 | 60 Ų | 60 | 25% | 0.247 | 29% | 0.291 | C | S | . | . | trans | 106.1 | 169 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y465 | Y465-G467 VanDerWaalsContact C-N 3.32Å; Y465-G467 VanDerWaalsContact CE1-CA 3.47Å; Y465-G467 VanDerWaalsContact CZ-CA 3.48Å; Y465-G467 VanDerWaalsContact OH-C 3.27Å | ||
| 468 | Y | 98.5 | Very high | 97.4 | Very high | 52 Ų | 52 | 59.2 Ų | 59.2 | 20% | 0.204 | 28% | 0.284 | C | S | . | . | trans | -77.2 | 135.6 | 177.3 | 167.2 | -110.9 | 0 | 0 | 0 | 110.6 | Y465 P470 Q661 G662 D663 R664 K669 | Y465-Y468 WeakPolarHBondContact OH-CA 3.35Å; Y465-Y468 PolarHBondContact OH-N 3.3Å; Y468-P470 HydrophobicContact CE1-CB 3.94Å; Y468-P470 HydrophobicContact CE1-CG 4.36Å; Y468-Q661 CarbonylContact C-O 3.34Å; Y468-Q661 WeakPolarHBondContact CA-O 3.34Å; Y468-Q661 VanDerWaalsContact CD2-O 3.26Å; Y468-Q661 WeakPolarHBondContact CD2-O 3.46Å; Y468-G662 WeakPolarHBondContact CE2-O 3.2Å; Y468-D663 VanDerWaalsContact CD2-C 3.42Å; Y468-D663 WeakPolarHBondContact CD2-O 3.39Å; Y468-R664 HydrophobicContact CD2-CB 4.27Å; Y468-R664 HydrophobicContact CE1-CB 4.13Å; Y468-R664 HydrophobicContact CE1-CG 4.11Å; Y468-R664 HydrophobicContact CE2-CB 3.81Å; Y468-K669 HydrophobicContact CG-CD 4.36Å | ||
| 469 | N | 98.3 | Very high | 97.5 | Very high | 63 Ų | 63 | 58 Ų | 58 | 34% | 0.337 | 28% | 0.278 | S | S | . | . | trans | -127.4 | 111.6 | 175 | -177.8 | -9.5 | 0 | 0 | 0 | 109.7 | N471 V472 Q661 | N469-N471 PolarHBondContact O-N 3.04Å; N469-N471 VanDerWaalsContact O-N 3.1Å; N469-N471 WeakPolarHBondContact OD1-CB 3.49Å; N469-N471 PolarHBondContact OD1-N 3.07Å; N469-V472 HydrophobicContact CB-CG2 3.81Å; N469-V472 PolarHBondContact O-N 3.45Å; N469-V472 VanDerWaalsContact O-N 3.12Å; N469-Q661 PolarHBondContact N-O 3.32Å | ||
| 470 | P | 97.6 | Very high | 97.6 | Very high | 44 Ų | 44 | 49.2 Ų | 49.2 | 29% | 0.286 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -9.6 | -178.9 | 29.2 | -36.1 | 0 | 0 | 0 | 114 | N153 Y468 | N153-P470 PolarHBondContact ND2-O 3.14Å; Y468-P470 HydrophobicContact CE1-CB 3.94Å; Y468-P470 HydrophobicContact CE1-CG 4.36Å |
| 471 | N | 98.3 | Very high | 97.7 | Very high | 139 Ų | 139 | 39.7 Ų | 39.7 | 74% | 0.743 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92 | -4.4 | 176.8 | -58.7 | -39.4 | 0 | 0 | 0 | 113 | N469 | N469-N471 PolarHBondContact O-N 3.04Å; N469-N471 VanDerWaalsContact O-N 3.1Å; N469-N471 WeakPolarHBondContact OD1-CB 3.49Å; N469-N471 PolarHBondContact OD1-N 3.07Å |
| 472 | V | 98.4 | Very high | 97.7 | Very high | 20 Ų | 20 | 37.3 Ų | 37.3 | 12% | 0.121 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -82.6 | 123.8 | 173.3 | 173.2 | 0 | 0 | 0 | 0 | 108.8 | N469 P474 R658 Q661 | N469-V472 HydrophobicContact CB-CG2 3.81Å; N469-V472 PolarHBondContact O-N 3.45Å; N469-V472 VanDerWaalsContact O-N 3.12Å; V472-P474 VanDerWaalsContact O-CD 3.23Å; V472-P474 WeakPolarHBondContact O-CD 3.19Å; V472-R658 HydrophobicContact CG1-CB 4.12Å; V472-R658 HydrophobicContact CG1-CG 4.15Å; V472-Q661 HydrophobicContact CG1-CB 4.34Å; V472-Q661 HydrophobicContact CG2-CB 4.26Å |
| 473 | D | 98.3 | Very high | 97.8 | Very high | 35 Ų | 35 | 37.2 Ų | 37.2 | 19% | 0.187 | 20% | 0.198 | C | C | . | . | trans | -72.8 | 112 | 168.7 | 177.9 | 12.6 | 0 | 0 | 0 | 109.7 | T167 S475 | T167-D473 WeakPolarHBondContact CB-OD2 3.38Å; T167-D473 PolarHBondContact OG1-OD2 2.91Å; D473-S475 VanDerWaalsContact C-N 3.33Å; D473-S475 WeakPolarHBondContact OD1-CB 3.36Å; D473-S475 PolarHBondContact OD1-N 2.81Å; D473-S475 PolarHBondContact OD1-OG 2.96Å | ||
| 474 | P | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -84.9 | -5.5 | 178.1 | 36.6 | -32.9 | 0 | 0 | 0 | 112.7 | L159 A315 F316 V472 I659 | L159-P474 HydrophobicContact CB-CG 4.3Å; A315-P474 WeakPolarHBondContact CB-O 3.33Å; F316-P474 HydrophobicContact CE1-CB 3.66Å; F316-P474 HydrophobicContact CE1-CG 3.93Å; F316-P474 HydrophobicContact CZ-CB 4.03Å; F316-P474 HydrophobicContact CZ-CG 3.77Å; V472-P474 VanDerWaalsContact O-CD 3.23Å; V472-P474 WeakPolarHBondContact O-CD 3.19Å; P474-I659 WeakPolarHBondContact O-CG2 3.49Å | ||
| 475 | S | 98.4 | Very high | 98.2 | Very high | 10 Ų | 10 | 24.3 Ų | 24.3 | 7% | 0.07 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -56.5 | 144.2 | -175.1 | -51.2 | 0 | 0 | 0 | 0 | 111.1 | G160 T167 D473 A477 Q655 | G160-S475 PolarHBondContact N-OG 3.2Å; T167-S475 WeakPolarHBondContact CG2-O 3.39Å; D473-S475 VanDerWaalsContact C-N 3.33Å; D473-S475 WeakPolarHBondContact OD1-CB 3.36Å; D473-S475 PolarHBondContact OD1-N 2.81Å; D473-S475 PolarHBondContact OD1-OG 2.96Å; S475-A477 PolarHBondContact O-N 3.4Å; S475-Q655 PolarHBondContact O-NE2 3.44Å; S475-Q655 VanDerWaalsContact O-NE2 3.16Å |
| 476 | I | 98.8 | Very high | 98.2 | Very high | 3 Ų | 3 | 25.2 Ų | 25.2 | 2% | 0.015 | 14% | 0.142 | C | C | . | . | P | Polyproline II helix | trans | -68 | 131.3 | 177.1 | -58.7 | -49.6 | 0 | 0 | 0 | 109.6 | F166 T167 L234 A315 F480 A481 Q655 I659 | F166-I476 WeakPolarHBondContact CA-O 3.38Å; F166-I476 HydrophobicContact CD1-CB 4.05Å; F166-I476 HydrophobicContact CD1-CG2 4.03Å; F166-I476 WeakPolarHBondContact CD1-O 3.32Å; F166-I476 HydrophobicContact CE1-CB 4.23Å; F166-I476 HydrophobicContact CE1-CG2 4.02Å; T167-I476 PolarHBondContact N-O 3.16Å; L234-I476 HydrophobicContact CB-CD1 4.09Å; L234-I476 HydrophobicContact CB-CG1 4.28Å; L234-I476 HydrophobicContact CD2-CD1 4.27Å; L234-I476 VanDerWaalsContact O-CG1 3.28Å; L234-I476 WeakPolarHBondContact O-CG1 3.33Å; A315-I476 HydrophobicContact CB-CD1 3.92Å; A315-I476 HydrophobicContact CB-CG1 3.8Å; I476-F480 HydrophobicContact CG2-CB 4.45Å; I476-F480 HydrophobicContact CG2-CD1 3.65Å; I476-F480 HydrophobicContact CG2-CE1 4.4Å; I476-F480 HydrophobicContact CG2-CG 4.46Å; I476-A481 HydrophobicContact CG2-CB 3.98Å; I476-Q655 HydrophobicContact CD1-CG 4.11Å; I476-I659 HydrophobicContact CD1-CG2 3.84Å |
| 477 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | B | Isolated β-bridge | trans | -77.1 | 141.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111 | T167 W169 S475 V479 F480 A481 | T167-A477 HydrophobicContact CG2-CB 3.94Å; T167-A477 VanDerWaalsContact O-CA 3.32Å; T167-A477 WeakPolarHBondContact O-CA 3.44Å; W169-A477 HydrophobicContact CD2-CB 3.81Å; W169-A477 VanDerWaalsContact CE2-CB 3.44Å; W169-A477 HydrophobicContact CE3-CB 4.27Å; W169-A477 HydrophobicContact CG-CB 4.29Å; W169-A477 HydrophobicContact CH2-CB 4.04Å; W169-A477 HydrophobicContact CZ2-CB 3.57Å; W169-A477 HydrophobicContact CZ3-CB 4.38Å; S475-A477 PolarHBondContact O-N 3.4Å; A477-V479 HydrophobicContact CB-CG1 4.25Å; A477-V479 PolarHBondContact O-N 2.92Å; A477-F480 HydrophobicContact CB-CB 4.26Å; A477-F480 WeakPolarHBondContact O-CB 3.44Å; A477-F480 PolarHBondContact O-N 2.84Å; A477-A481 PolarHBondContact O-N 3.31Å |
| 478 | N | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.1 | -40.4 | -178.7 | -162.6 | -45.1 | 0 | 0 | 0 | 111.5 | F166 T167 R168 Q309 F480 T482 H581 L583 | F166-N478 HydrophobicContact CB-CB 3.76Å; F166-N478 HydrophobicContact CG-CB 4.33Å; T167-N478 PolarHBondContact O-N 3.38Å; R168-N478 PolarHBondContact NH2-ND2 3.49Å; Q309-N478 PolarHBondContact OE1-ND2 2.81Å; N478-F480 VanDerWaalsContact C-N 3.3Å; N478-F480 PolarHBondContact O-N 3.09Å; N478-T482 WeakPolarHBondContact O-CB 3.33Å; N478-T482 PolarHBondContact O-N 3.04Å; N478-T482 PolarHBondContact O-OG1 2.92Å; N478-T482 PolarHBondContact OD1-OG1 2.93Å; N478-H581 WeakPolarHBondContact OD1-CB 3.33Å; N478-H581 PolarHBondContact OD1-ND1 3.1Å; N478-L583 HydrophobicContact CB-CD2 4.38Å |
| 479 | V | 98.8 | Very high | 97.7 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.012 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65 | -31.2 | 176.4 | 71.2 | 0 | 0 | 0 | 0 | 113.1 | W169 A477 A483 A484 L583 W589 V629 L651 | W169-V479 HydrophobicContact CE3-CG1 4.07Å; W169-V479 HydrophobicContact CZ3-CG1 4.31Å; A477-V479 HydrophobicContact CB-CG1 4.25Å; A477-V479 PolarHBondContact O-N 2.92Å; V479-A483 HydrophobicContact CG2-CB 4.45Å; V479-A483 WeakPolarHBondContact O-CA 3.37Å; V479-A483 WeakPolarHBondContact O-CB 3.37Å; V479-A483 PolarHBondContact O-N 3.33Å; V479-A483 VanDerWaalsContact O-N 3.08Å; V479-A484 PolarHBondContact O-N 3.45Å; V479-L583 HydrophobicContact CB-CD2 4.36Å; V479-W589 HydrophobicContact CB-CD2 4.49Å; V479-W589 HydrophobicContact CB-CE3 4.49Å; V479-W589 HydrophobicContact CB-CH2 3.54Å; V479-W589 HydrophobicContact CB-CZ2 3.51Å; V479-W589 HydrophobicContact CB-CZ3 4.06Å; V479-W589 HydrophobicContact CG1-CE3 4.26Å; V479-W589 HydrophobicContact CG1-CH2 3.54Å; V479-W589 HydrophobicContact CG1-CZ2 4.07Å; V479-W589 HydrophobicContact CG1-CZ3 3.66Å; V479-W589 HydrophobicContact CG2-CD2 3.8Å; V479-W589 HydrophobicContact CG2-CE3 4.12Å; V479-W589 HydrophobicContact CG2-CG 4.44Å; V479-W589 HydrophobicContact CG2-CH2 3.94Å; V479-W589 HydrophobicContact CG2-CZ2 3.59Å; V479-W589 HydrophobicContact CG2-CZ3 4.19Å; V479-V629 HydrophobicContact CG2-CG1 4.4Å; V479-V629 HydrophobicContact CG2-CG2 4.25Å; V479-L651 HydrophobicContact CG1-CD2 4.32Å; V479-L651 HydrophobicContact CG2-CD1 3.93Å |
| 480 | F | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -68.2 | -56.6 | 178 | 174.5 | -89.9 | 0 | 0 | 0 | 110.3 | L234 I476 A477 N478 T482 A484 Y485 I652 Q655 F656 | L234-F480 HydrophobicContact CD1-CE1 4.1Å; L234-F480 HydrophobicContact CD1-CZ 4.12Å; I476-F480 HydrophobicContact CG2-CB 4.45Å; I476-F480 HydrophobicContact CG2-CD1 3.65Å; I476-F480 HydrophobicContact CG2-CE1 4.4Å; I476-F480 HydrophobicContact CG2-CG 4.46Å; A477-F480 HydrophobicContact CB-CB 4.26Å; A477-F480 WeakPolarHBondContact O-CB 3.44Å; A477-F480 PolarHBondContact O-N 2.84Å; N478-F480 VanDerWaalsContact C-N 3.3Å; N478-F480 PolarHBondContact O-N 3.09Å; F480-T482 PolarHBondContact O-N 3.34Å; F480-A484 PolarHBondContact O-N 3.06Å; F480-Y485 HydrophobicContact CE1-CD1 4.15Å; F480-Y485 HydrophobicContact CE1-CD2 4.27Å; F480-Y485 AromaticContact CE1-CG 3.82Å; F480-Y485 HydrophobicContact CE1-CG 3.82Å; F480-Y485 AromaticContact CE2-CD2 3.5Å; F480-Y485 HydrophobicContact CE2-CD2 3.5Å; F480-Y485 HydrophobicContact CE2-CE2 4.22Å; F480-Y485 AromaticContact CE2-CG 3.84Å; F480-Y485 HydrophobicContact CE2-CG 3.84Å; F480-Y485 AromaticContact CZ-CD1 3.91Å; F480-Y485 HydrophobicContact CZ-CD1 3.91Å; F480-Y485 AromaticContact CZ-CD2 3.36Å; F480-Y485 HydrophobicContact CZ-CD2 3.36Å; F480-Y485 HydrophobicContact CZ-CE1 4.39Å; F480-Y485 AromaticContact CZ-CE2 3.92Å; F480-Y485 HydrophobicContact CZ-CE2 3.92Å; F480-Y485 AromaticContact CZ-CG 3.37Å; F480-Y485 HydrophobicContact CZ-CG 3.37Å; F480-Y485 WeakPolarHBondContact O-CB 3.24Å; F480-Y485 PolarHBondContact O-N 2.91Å; F480-I652 HydrophobicContact CD2-CG1 4.49Å; F480-I652 HydrophobicContact CE2-CB 4.46Å; F480-I652 HydrophobicContact CE2-CG1 4.28Å; F480-I652 HydrophobicContact CE2-CG2 4.35Å; F480-Q655 HydrophobicContact CB-CB 4.32Å; F480-Q655 HydrophobicContact CB-CG 4.24Å; F480-Q655 HydrophobicContact CD1-CG 3.89Å; F480-Q655 HydrophobicContact CD2-CB 3.33Å; F480-Q655 HydrophobicContact CD2-CG 3.6Å; F480-Q655 HydrophobicContact CE1-CG 4.08Å; F480-Q655 HydrophobicContact CE2-CB 3.64Å; F480-Q655 HydrophobicContact CE2-CG 3.79Å; F480-Q655 HydrophobicContact CG-CB 3.82Å; F480-Q655 HydrophobicContact CG-CG 3.64Å; F480-Q655 HydrophobicContact CZ-CB 4.37Å; F480-Q655 HydrophobicContact CZ-CG 4.02Å; F480-F656 HydrophobicContact CE2-CD2 4.25Å; F480-F656 AromaticContact CE2-CE2 3.87Å; F480-F656 HydrophobicContact CE2-CE2 3.87Å; F480-F656 HydrophobicContact CZ-CD2 4.49Å; F480-F656 AromaticContact CZ-CE2 3.78Å; F480-F656 HydrophobicContact CZ-CE2 3.78Å; F480-F656 HydrophobicContact CZ-CZ 4.23Å |
| 481 | A | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.008 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -67.7 | -33.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F166 I476 A477 R486 | F166-A481 HydrophobicContact CD1-CB 4.25Å; F166-A481 HydrophobicContact CE1-CB 3.58Å; F166-A481 HydrophobicContact CZ-CB 3.91Å; I476-A481 HydrophobicContact CG2-CB 3.98Å; A477-A481 PolarHBondContact O-N 3.31Å; A481-R486 PolarHBondContact O-NE 3.29Å |
| 482 | T | 97.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -92.9 | -24.8 | -172.4 | -51.3 | 0 | 0 | 0 | 0 | 112.8 | N478 F480 R486 R577 H581 L583 | N478-T482 WeakPolarHBondContact O-CB 3.33Å; N478-T482 PolarHBondContact O-N 3.04Å; N478-T482 PolarHBondContact O-OG1 2.92Å; N478-T482 PolarHBondContact OD1-OG1 2.93Å; F480-T482 PolarHBondContact O-N 3.34Å; T482-R486 WeakPolarHBondContact O-CD 3.44Å; T482-R486 PolarHBondContact O-NE 3.23Å; T482-R577 HydrophobicContact CG2-CB 4.38Å; T482-R577 HydrophobicContact CG2-CG 3.84Å; T482-H581 HydrophobicContact CG2-CB 4.18Å; T482-H581 PolarHBondContact OG1-CE1 2.82Å; T482-H581 VanDerWaalsContact OG1-CE1 3.32Å; T482-H581 PolarHBondContact OG1-ND1 2.99Å; T482-L583 HydrophobicContact CG2-CD1 3.92Å |
| 483 | A | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.3 | -67.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | V479 Y485 R486 L583 V629 W630 | V479-A483 HydrophobicContact CG2-CB 4.45Å; V479-A483 WeakPolarHBondContact O-CA 3.37Å; V479-A483 WeakPolarHBondContact O-CB 3.37Å; V479-A483 PolarHBondContact O-N 3.33Å; V479-A483 VanDerWaalsContact O-N 3.08Å; A483-Y485 PolarHBondContact O-N 3.23Å; A483-R486 WeakPolarHBondContact O-CB 3.45Å; A483-R486 PolarHBondContact O-N 3.12Å; A483-R486 VanDerWaalsContact O-N 3.09Å; A483-L583 HydrophobicContact CB-CD1 4.16Å; A483-V629 HydrophobicContact CB-CG1 3.7Å; A483-W630 HydrophobicContact CB-CB 3.99Å |
| 484 | A | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.053 | C | C | . | . | G | 310 helix | trans | -60.2 | -44.9 | -164.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V479 F480 R486 F487 F648 L651 I652 | V479-A484 PolarHBondContact O-N 3.45Å; F480-A484 PolarHBondContact O-N 3.06Å; A484-R486 VanDerWaalsContact C-N 3.26Å; A484-R486 PolarHBondContact O-N 3.21Å; A484-F487 WeakPolarHBondContact O-CD1 3.31Å; A484-F487 PolarHBondContact O-N 2.96Å; A484-F648 HydrophobicContact CB-CD1 3.87Å; A484-F648 HydrophobicContact CB-CE1 4.05Å; A484-F648 HydrophobicContact CB-CG 4.25Å; A484-L651 HydrophobicContact CB-CB 3.88Å; A484-L651 HydrophobicContact CB-CD1 4.12Å; A484-I652 HydrophobicContact CB-CG1 4.08Å |
| 485 | Y | 98.1 | Very high | 96.5 | Very high | 5 Ų | 5 | 12.9 Ų | 12.9 | 2% | 0.02 | 7% | 0.069 | C | C | . | . | G | 310 helix | trans | -79.3 | -9.9 | -176.7 | -145.8 | -118.8 | 0 | 0 | 0 | 113.7 | G227 N230 D231 Y448 F480 A483 F487 I652 F656 | G227-Y485 WeakPolarHBondContact O-CE1 3.17Å; N230-Y485 HydrophobicContact CB-CE1 4.03Å; N230-Y485 WeakPolarHBondContact CB-OH 3.29Å; D231-Y485 HydrophobicContact CB-CD1 3.73Å; D231-Y485 HydrophobicContact CB-CE1 3.9Å; Y448-Y485 VanDerWaalsContact CE1-OH 3.26Å; Y448-Y485 WeakPolarHBondContact CE1-OH 3.47Å; F480-Y485 HydrophobicContact CE1-CD1 4.15Å; F480-Y485 HydrophobicContact CE1-CD2 4.27Å; F480-Y485 AromaticContact CE1-CG 3.82Å; F480-Y485 HydrophobicContact CE1-CG 3.82Å; F480-Y485 AromaticContact CE2-CD2 3.5Å; F480-Y485 HydrophobicContact CE2-CD2 3.5Å; F480-Y485 HydrophobicContact CE2-CE2 4.22Å; F480-Y485 AromaticContact CE2-CG 3.84Å; F480-Y485 HydrophobicContact CE2-CG 3.84Å; F480-Y485 AromaticContact CZ-CD1 3.91Å; F480-Y485 HydrophobicContact CZ-CD1 3.91Å; F480-Y485 AromaticContact CZ-CD2 3.36Å; F480-Y485 HydrophobicContact CZ-CD2 3.36Å; F480-Y485 HydrophobicContact CZ-CE1 4.39Å; F480-Y485 AromaticContact CZ-CE2 3.92Å; F480-Y485 HydrophobicContact CZ-CE2 3.92Å; F480-Y485 AromaticContact CZ-CG 3.37Å; F480-Y485 HydrophobicContact CZ-CG 3.37Å; F480-Y485 WeakPolarHBondContact O-CB 3.24Å; F480-Y485 PolarHBondContact O-N 2.91Å; A483-Y485 PolarHBondContact O-N 3.23Å; Y485-F487 HydrophobicContact CD2-CE1 4.17Å; Y485-F487 HydrophobicContact CE2-CE1 4.25Å; Y485-F487 PolarHBondContact O-N 2.93Å; Y485-I652 HydrophobicContact CD2-CD1 4.21Å; Y485-I652 HydrophobicContact CD2-CG1 4.18Å; Y485-I652 HydrophobicContact CD2-CG2 4.3Å; Y485-I652 HydrophobicContact CE2-CG2 4.26Å; Y485-F656 HydrophobicContact CD2-CE2 4.22Å; Y485-F656 AromaticContact CE2-CE2 3.54Å; Y485-F656 HydrophobicContact CE2-CE2 3.54Å; Y485-F656 AromaticContact CE2-CZ 3.91Å; Y485-F656 HydrophobicContact CE2-CZ 3.91Å; Y485-F656 AromaticContact CZ-CZ 3.88Å |
| 486 | R | 96.7 | Very high | 96.5 | Very high | 43 Ų | 43 | 12.5 Ų | 12.5 | 16% | 0.162 | 7% | 0.065 | C | C | . | . | G | 310 helix | trans | -81.3 | 10.1 | 171.6 | -58.6 | -170.4 | -175.2 | -161 | 2.1 | 113.5 | A481 T482 A483 A484 A488 H489 N574 W630 | A481-R486 PolarHBondContact O-NE 3.29Å; T482-R486 WeakPolarHBondContact O-CD 3.44Å; T482-R486 PolarHBondContact O-NE 3.23Å; A483-R486 WeakPolarHBondContact O-CB 3.45Å; A483-R486 PolarHBondContact O-N 3.12Å; A483-R486 VanDerWaalsContact O-N 3.09Å; A484-R486 VanDerWaalsContact C-N 3.26Å; A484-R486 PolarHBondContact O-N 3.21Å; R486-A488 PolarHBondContact O-N 3.33Å; R486-H489 PolarHBondContact O-N 3.16Å; R486-N574 WeakPolarHBondContact CD-OD1 3.16Å; R486-N574 PolarHBondContact NH1-OD1 3.12Å; R486-W630 PolarHBondContact O-NE1 2.86Å |
| 487 | F | 95.1 | Very high | 96.4 | Very high | 17 Ų | 17 | 13.9 Ų | 13.9 | 8% | 0.075 | 7% | 0.071 | C | C | . | . | G | 310 helix | trans | -56.9 | -33.7 | 170.7 | 80.1 | -85.3 | 0 | 0 | 0 | 111.4 | I452 A484 Y485 H489 L490 V634 V644 F648 I652 | I452-F487 HydrophobicContact CB-CZ 4.45Å; I452-F487 HydrophobicContact CD1-CE2 4.03Å; I452-F487 HydrophobicContact CD1-CZ 3.72Å; I452-F487 HydrophobicContact CG1-CZ 4.1Å; I452-F487 HydrophobicContact CG2-CE1 3.87Å; I452-F487 HydrophobicContact CG2-CE2 4.14Å; I452-F487 HydrophobicContact CG2-CZ 3.53Å; A484-F487 WeakPolarHBondContact O-CD1 3.31Å; A484-F487 PolarHBondContact O-N 2.96Å; Y485-F487 HydrophobicContact CD2-CE1 4.17Å; Y485-F487 HydrophobicContact CE2-CE1 4.25Å; Y485-F487 PolarHBondContact O-N 2.93Å; F487-H489 PolarHBondContact O-N 3.44Å; F487-H489 VanDerWaalsContact O-N 3.09Å; F487-L490 PolarHBondContact O-N 2.8Å; F487-V634 HydrophobicContact CB-CG1 4.42Å; F487-V644 HydrophobicContact CB-CG1 3.85Å; F487-V644 HydrophobicContact CD1-CG1 3.86Å; F487-V644 HydrophobicContact CD2-CG1 3.41Å; F487-V644 VanDerWaalsContact CD2-CG1 3.41Å; F487-V644 HydrophobicContact CE1-CG1 4.3Å; F487-V644 HydrophobicContact CE2-CG1 3.91Å; F487-V644 HydrophobicContact CG-CG1 3.39Å; F487-V644 HydrophobicContact CZ-CG1 4.34Å; F487-F648 HydrophobicContact CB-CD2 3.91Å; F487-F648 HydrophobicContact CB-CE2 4.12Å; F487-I652 HydrophobicContact CD1-CD1 3.79Å; F487-I652 HydrophobicContact CE1-CD1 3.96Å |
| 488 | A | 92.8 | Very high | 96.4 | Very high | 11 Ų | 11 | 14.3 Ų | 14.3 | 9% | 0.091 | 7% | 0.073 | C | C | . | . | G | 310 helix | trans | -60.9 | -21.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | R486 L490 A491 I492 | R486-A488 PolarHBondContact O-N 3.33Å; A488-L490 PolarHBondContact O-N 3.39Å; A488-A491 PolarHBondContact O-N 3.44Å; A488-I492 PolarHBondContact O-N 2.71Å |
| 489 | H | 94.9 | Very high | 96.4 | Very high | 42 Ų | 42 | 14.7 Ų | 14.7 | 19% | 0.194 | 8% | 0.075 | C | C | . | . | G | 310 helix | trans | -57.9 | -21.8 | 173.9 | -64.9 | 160.6 | 0 | 0 | 0 | 113.7 | R486 F487 M551 L570 N574 | R486-H489 PolarHBondContact O-N 3.16Å; F487-H489 PolarHBondContact O-N 3.44Å; F487-H489 VanDerWaalsContact O-N 3.09Å; H489-M551 HydrophobicContact CB-CE 3.97Å; H489-L570 HydrophobicContact CB-CD2 4.09Å; H489-N574 PolarHBondContact ND1-ND2 3.5Å |
| 490 | L | 93.8 | Very high | 96.3 | Very high | 3 Ų | 3 | 15 Ų | 15 | 2% | 0.016 | 8% | 0.078 | C | C | . | . | G | 310 helix | trans | -94.4 | -7 | 177.7 | -64.6 | 163.7 | 0 | 0 | 0 | 113.4 | F487 A488 K543 N545 M550 M551 W630 V634 | F487-L490 PolarHBondContact O-N 2.8Å; A488-L490 PolarHBondContact O-N 3.39Å; L490-K543 WeakPolarHBondContact O-CD 3.48Å; L490-K543 PolarHBondContact O-NZ 3.42Å; L490-N545 HydrophobicContact CB-CB 4.01Å; L490-M550 HydrophobicContact CD2-CB 3.63Å; L490-M550 HydrophobicContact CD2-CG 4.48Å; L490-M550 WeakPolarHBondContact CD2-O 3.37Å; L490-M551 HydrophobicContact CD2-CB 3.86Å; L490-M551 HydrophobicContact CD2-CE 3.96Å; L490-M551 HydrophobicContact CG-CE 4.37Å; L490-W630 HydrophobicContact CD1-CZ2 4.37Å; L490-W630 HydrophobicContact CG-CZ2 4.49Å; L490-V634 HydrophobicContact CD1-CB 3.26Å; L490-V634 HydrophobicContact CD1-CG1 3.45Å; L490-V634 VanDerWaalsContact CD1-CG1 3.45Å; L490-V634 HydrophobicContact CD1-CG2 3.6Å |
| 491 | A | 93.4 | Very high | 96.2 | Very high | 19 Ų | 19 | 19.6 Ų | 19.6 | 16% | 0.157 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -97.9 | 6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T224 A488 K543 | T224-A491 HydrophobicContact CG2-CB 4.19Å; T224-A491 WeakPolarHBondContact CG2-O 3.5Å; T224-A491 PolarHBondContact OG1-O 3.33Å; A488-A491 PolarHBondContact O-N 3.44Å; A491-K543 WeakPolarHBondContact CA-O 3.33Å; A491-K543 PolarHBondContact O-N 2.69Å |
| 492 | I | 93.9 | Very high | 96.1 | Very high | 29 Ų | 29 | 24.3 Ų | 24.3 | 15% | 0.149 | 13% | 0.133 | C | C | . | . | trans | -75.7 | 123.9 | 178.3 | -68.1 | 177.8 | 0 | 0 | 0 | 110.6 | T224 A488 L514 K543 V552 V555 | T224-I492 HydrophobicContact CG2-CG1 3.97Å; A488-I492 PolarHBondContact O-N 2.71Å; I492-L514 HydrophobicContact CG2-CD2 3.17Å; I492-K543 WeakPolarHBondContact O-CD 3.42Å; I492-V552 HydrophobicContact CG2-CG2 4.42Å; I492-V555 HydrophobicContact CD1-CG1 4.28Å; I492-V555 HydrophobicContact CG2-CG1 4.3Å | ||
| 493 | Q | 95.1 | Very high | 96.1 | Very high | 5 Ų | 5 | 26.1 Ų | 26.1 | 2% | 0.023 | 14% | 0.14 | C | C | . | . | trans | -75 | 152.3 | 170.6 | -70.7 | -78.2 | 20.5 | 0 | 0 | 111.4 | N215 L495 F497 P541 A542 K543 | N215-Q493 PolarHBondContact OD1-NE2 3.15Å; Q493-L495 PolarHBondContact O-N 3.33Å; Q493-F497 HydrophobicContact CB-CE2 4.22Å; Q493-F497 HydrophobicContact CG-CE2 3.97Å; Q493-F497 HydrophobicContact CG-CZ 4.43Å; Q493-P541 PolarHBondContact NE2-O 2.87Å; Q493-A542 VanDerWaalsContact NE2-C 3.27Å; Q493-A542 PolarHBondContact NE2-O 3.03Å; Q493-K543 HydrophobicContact CG-CB 4.1Å | ||
| 494 | P | 93.6 | Very high | 96 | Very high | 18 Ų | 18 | 34.9 Ų | 34.9 | 12% | 0.117 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -71.7 | -8.6 | 175.4 | 31 | -33.7 | 0 | 0 | 0 | 112.8 | D210 V213 L514 | D210-P494 HydrophobicContact CB-CB 4.42Å; D210-P494 HydrophobicContact CB-CG 4.49Å; V213-P494 HydrophobicContact CG2-CG 4.33Å; P494-L514 PolarHBondContact O-N 3.45Å |
| 495 | L | 94.9 | Very high | 96 | Very high | 62 Ų | 62 | 39.3 Ų | 39.3 | 33% | 0.325 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 146.1 | -179.2 | -58 | 176 | 0 | 0 | 0 | 111 | H221 Q493 F497 V512 P513 | H221-L495 PolarHBondContact CE1-O 3.08Å; Q493-L495 PolarHBondContact O-N 3.33Å; L495-F497 HydrophobicContact CB-CD1 4.36Å; L495-F497 HydrophobicContact CB-CE1 4.05Å; L495-F497 HydrophobicContact CB-CZ 4.35Å; L495-F497 HydrophobicContact CD1-CE1 3.97Å; L495-V512 CarbonylContact C-O 3.58Å; L495-V512 WeakPolarHBondContact CA-O 3.41Å; L495-P513 HydrophobicContact CD2-CB 4.34Å; L495-P513 HydrophobicContact CD2-CG 4.25Å |
| 496 | V | 96.9 | Very high | 96 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 111.1 | 159.4 | -179 | 0 | 0 | 0 | 0 | 107.6 | I396 A397 S511 V512 L514 A517 L533 | I396-V496 HydrophobicContact CD1-CG1 4.17Å; I396-V496 HydrophobicContact CG1-CG1 3.95Å; A397-V496 HydrophobicContact CB-CG1 4.04Å; V496-S511 WeakPolarHBondContact O-CA 3.09Å; V496-V512 PolarHBondContact N-O 2.87Å; V496-V512 PolarHBondContact O-N 2.89Å; V496-L514 HydrophobicContact CG2-CD1 3.68Å; V496-A517 HydrophobicContact CB-CB 4.37Å; V496-A517 HydrophobicContact CG2-CB 3.75Å; V496-L533 HydrophobicContact CG1-CD2 3.65Å |
| 497 | F | 98 | Very high | 95.9 | Very high | 32 Ų | 32 | 44 Ų | 44 | 14% | 0.14 | 23% | 0.228 | C | C | . | . | trans | -74.7 | 141.9 | -173 | -59.1 | -73.2 | 0 | 0 | 0 | 112.6 | H221 Q493 L495 S511 S540 | H221-F497 AromaticContact CE1-CD2 3.96Å; H221-F497 AromaticContact CE1-CE2 4Å; H221-F497 AromaticContact ND1-CD2 3.35Å; H221-F497 VanDerWaalsContact ND1-CD2 3.35Å; H221-F497 WeakPolarHBondContact ND1-CD2 3.44Å; H221-F497 AromaticContact ND1-CE2 3.62Å; Q493-F497 HydrophobicContact CB-CE2 4.22Å; Q493-F497 HydrophobicContact CG-CE2 3.97Å; Q493-F497 HydrophobicContact CG-CZ 4.43Å; L495-F497 HydrophobicContact CB-CD1 4.36Å; L495-F497 HydrophobicContact CB-CE1 4.05Å; L495-F497 HydrophobicContact CB-CZ 4.35Å; L495-F497 HydrophobicContact CD1-CE1 3.97Å; F497-S511 VanDerWaalsContact CA-OG 3.3Å; F497-S511 WeakPolarHBondContact CA-OG 3.39Å; F497-S540 WeakPolarHBondContact CB-OG 3.1Å; F497-S540 WeakPolarHBondContact CD2-OG 3.43Å; F497-S540 VanDerWaalsContact CG-OG 3.25Å; F497-S540 WeakPolarHBondContact CG-OG 3.38Å | ||
| 498 | R | 98.3 | Very high | 96 | Very high | 9 Ų | 9 | 50 Ų | 50 | 3% | 0.034 | 26% | 0.256 | C | S | . | . | trans | -129.2 | 115.2 | 173.2 | -70 | -170.9 | -68.9 | -171.3 | -1.2 | 109.9 | H506 F509 P510 S511 E527 P532 L533 | R498-H506 HydrophobicContact CB-CB 4.35Å; R498-H506 WeakPolarHBondContact O-CB 3.47Å; R498-H506 PolarHBondContact O-N 3.05Å; R498-F509 VanDerWaalsContact CB-O 3.25Å; R498-F509 WeakPolarHBondContact CB-O 3.44Å; R498-F509 PolarHBondContact NE-O 2.97Å; R498-P510 PolarHBondContact NE-O 2.96Å; R498-P510 PolarHBondContact NH2-O 3.33Å; R498-S511 PolarHBondContact N-OG 3.4Å; R498-S511 VanDerWaalsContact N-OG 3.12Å; R498-E527 IonicContact CZ-OE2 3.42Å; R498-E527 IonicContact NH1-OE2 2.58Å; R498-E527 PolarHBondContact NH1-OE2 2.78Å; R498-E527 IonicContact NH2-OE2 3.37Å; R498-E527 PolarHBondContact NH2-OE2 3.06Å; R498-P532 WeakPolarHBondContact CA-O 3.48Å; R498-P532 HydrophobicContact CB-CB 4.12Å; R498-P532 HydrophobicContact CG-CB 4.48Å; R498-L533 HydrophobicContact CG-CD2 3.63Å; R498-L533 HydrophobicContact CG-CG 4.19Å | ||
| 499 | L | 98.4 | Very high | 96.1 | Very high | 10 Ų | 10 | 51 Ų | 51 | 5% | 0.052 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -114.3 | 139.8 | -174.3 | -54.4 | -179.3 | 0 | 0 | 0 | 112.2 | Y503 R504 P532 R535 | L499-Y503 HydrophobicContact CD1-CD1 4.23Å; L499-R504 CarbonylContact C-O 3.49Å; L499-R504 VanDerWaalsContact CA-O 3.22Å; L499-R504 WeakPolarHBondContact CA-O 3.39Å; L499-P532 PolarHBondContact N-O 3.26Å; L499-P532 WeakPolarHBondContact O-CA 3.32Å; L499-R535 HydrophobicContact CB-CB 3.9Å; L499-R535 PolarHBondContact O-NH1 2.81Å |
| 500 | A | 97.6 | Very high | 96.1 | Very high | 8 Ų | 8 | 52.2 Ų | 52.2 | 7% | 0.066 | 27% | 0.27 | C | S | . | . | trans | -69.5 | 170.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | N502 Y503 R504 R535 | A500-N502 WeakPolarHBondContact CB-OD1 3.33Å; A500-N502 PolarHBondContact O-N 3.29Å; A500-Y503 PolarHBondContact O-N 3.13Å; A500-R504 PolarHBondContact N-O 3.08Å; A500-R535 VanDerWaalsContact O-CD 3.31Å; A500-R535 WeakPolarHBondContact O-CD 3.35Å | ||
| 501 | P | 96.8 | Very high | 96.3 | Very high | 96 Ų | 96 | 52.9 Ų | 52.9 | 62% | 0.623 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -24.4 | 178.9 | -29.3 | 37 | 0 | 0 | 0 | 115.2 | Y503 | P501-Y503 PolarHBondContact O-N 2.98Š|
| 502 | N | 95.9 | Very high | 96.4 | Very high | 101 Ų | 101 | 52.2 Ų | 52.2 | 54% | 0.54 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 10 | 175.2 | 67.9 | -2.1 | 0 | 0 | 0 | 114.1 | A500 R504 | A500-N502 WeakPolarHBondContact CB-OD1 3.33Å; A500-N502 PolarHBondContact O-N 3.29Å; N502-R504 PolarHBondContact O-N 2.66Å; N502-R504 WeakPolarHBondContact OD1-CB 3.44Å; N502-R504 PolarHBondContact OD1-N 2.91Å |
| 503 | Y | 96.9 | Very high | 96.4 | Very high | 38 Ų | 38 | 52.8 Ų | 52.8 | 15% | 0.149 | 28% | 0.275 | C | S | . | . | S | Bend | trans | 58.5 | 25.4 | -177.6 | -79 | -101.2 | 0 | 0 | 0 | 114.5 | L499 A500 P501 R535 I538 S698 L713 | L499-Y503 HydrophobicContact CD1-CD1 4.23Å; A500-Y503 PolarHBondContact O-N 3.13Å; P501-Y503 PolarHBondContact O-N 2.98Å; Y503-R535 HydrophobicContact CE1-CB 4.28Å; Y503-R535 HydrophobicContact CE1-CG 4.49Å; Y503-R535 HydrophobicContact CE2-CG 4.49Å; Y503-I538 HydrophobicContact CE1-CG1 4.09Å; Y503-S698 PolarHBondContact OH-O 3.26Å; Y503-L713 HydrophobicContact CD1-CD1 4.37Å; Y503-L713 HydrophobicContact CD1-CD2 4.42Å; Y503-L713 HydrophobicContact CD2-CD1 3.48Å; Y503-L713 VanDerWaalsContact CD2-CD1 3.48Å; Y503-L713 HydrophobicContact CD2-CD2 4.45Å; Y503-L713 HydrophobicContact CE1-CD2 3.91Å; Y503-L713 HydrophobicContact CE2-CD1 3.66Å; Y503-L713 HydrophobicContact CE2-CD2 3.94Å; Y503-L713 HydrophobicContact CE2-CG 4.45Å; Y503-L713 HydrophobicContact CG-CD1 3.85Å |
| 504 | R | 97.1 | Very high | 96.2 | Very high | 183 Ų | 183 | 52.8 Ų | 52.8 | 69% | 0.691 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -106 | 166.2 | 167.8 | -59.2 | -175.8 | 177.7 | -178.1 | -1.3 | 110.1 | L499 A500 N502 H506 | L499-R504 CarbonylContact C-O 3.49Å; L499-R504 VanDerWaalsContact CA-O 3.22Å; L499-R504 WeakPolarHBondContact CA-O 3.39Å; A500-R504 PolarHBondContact N-O 3.08Å; N502-R504 PolarHBondContact O-N 2.66Å; N502-R504 WeakPolarHBondContact OD1-CB 3.44Å; N502-R504 PolarHBondContact OD1-N 2.91Å; R504-H506 PolarHBondContact O-N 3.46Å |
| 505 | E | 97.8 | Very high | 95.8 | Very high | 94 Ų | 94 | 53.6 Ų | 53.6 | 44% | 0.439 | 28% | 0.276 | S | S | . | . | B | Isolated β-bridge | trans | -45 | 131 | 175.4 | -174.8 | 71.4 | 173.3 | 0 | 0 | 111.5 | P510 S511 | E505-P510 VanDerWaalsContact OE1-CA 3.31Å; E505-P510 WeakPolarHBondContact OE1-CA 3.16Å; E505-P510 WeakPolarHBondContact OE1-CB 3.45Å; E505-S511 WeakPolarHBondContact OE1-CB 3.26Å; E505-S511 PolarHBondContact OE1-N 3.01Å; E505-S511 PolarHBondContact OE1-OG 3.12Å; E505-S511 PolarHBondContact OE2-OG 3.45Å |
| 506 | H | 97.6 | Very high | 95.5 | Very high | 29 Ų | 29 | 54.5 Ų | 54.5 | 13% | 0.134 | 28% | 0.278 | C | S | . | . | trans | -70.7 | 122.5 | -176.2 | -168.1 | -72.5 | 0 | 0 | 0 | 110.9 | R498 R504 Q508 F509 | R498-H506 HydrophobicContact CB-CB 4.35Å; R498-H506 WeakPolarHBondContact O-CB 3.47Å; R498-H506 PolarHBondContact O-N 3.05Å; R504-H506 PolarHBondContact O-N 3.46Å; H506-Q508 VanDerWaalsContact C-N 3.34Å; H506-Q508 PolarHBondContact ND1-N 3.19Å; H506-Q508 PolarHBondContact O-N 2.92Å; H506-F509 WeakPolarHBondContact CB-O 3.47Å; H506-F509 AromaticContact CE1-CD2 3.37Å; H506-F509 WeakPolarHBondContact CE1-CD2 3.26Å; H506-F509 AromaticContact ND1-CD2 3.7Å; H506-F509 AromaticContact ND1-CG 3.96Å; H506-F509 PolarHBondContact ND1-N 3.17Å; H506-F509 VanDerWaalsContact ND1-N 3.15Å; H506-F509 CarbonylContact O-C 3.45Å; H506-F509 PolarHBondContact O-N 3.06Å | ||
| 507 | P | 95.9 | Very high | 95.2 | Very high | 118 Ų | 118 | 54.5 Ų | 54.5 | 77% | 0.766 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -66.3 | -34 | -167.9 | 25.2 | -34.7 | 0 | 0 | 0 | 113.4 | ||
| 508 | Q | 96.1 | Very high | 94.8 | Very high | 141 Ų | 141 | 53.2 Ų | 53.2 | 66% | 0.659 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -93.1 | -24.4 | -179.5 | -169.3 | 179.8 | 4.8 | 0 | 0 | 113.5 | H506 | H506-Q508 VanDerWaalsContact C-N 3.34Å; H506-Q508 PolarHBondContact ND1-N 3.19Å; H506-Q508 PolarHBondContact O-N 2.92Å |
| 509 | F | 95.3 | Very high | 94.4 | Very high | 34 Ų | 34 | 52.9 Ų | 52.9 | 15% | 0.149 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -136 | 69 | -167.9 | -57.1 | -50.3 | 0 | 0 | 0 | 108.8 | R498 H506 E527 | R498-F509 VanDerWaalsContact CB-O 3.25Å; R498-F509 WeakPolarHBondContact CB-O 3.44Å; R498-F509 PolarHBondContact NE-O 2.97Å; H506-F509 WeakPolarHBondContact CB-O 3.47Å; H506-F509 AromaticContact CE1-CD2 3.37Å; H506-F509 WeakPolarHBondContact CE1-CD2 3.26Å; H506-F509 AromaticContact ND1-CD2 3.7Å; H506-F509 AromaticContact ND1-CG 3.96Å; H506-F509 PolarHBondContact ND1-N 3.17Å; H506-F509 VanDerWaalsContact ND1-N 3.15Å; H506-F509 CarbonylContact O-C 3.45Å; H506-F509 PolarHBondContact O-N 3.06Å; F509-E527 HydrophobicContact CB-CB 4.44Å; F509-E527 HydrophobicContact CD1-CB 3.61Å; F509-E527 HydrophobicContact CD1-CG 4.05Å; F509-E527 VanDerWaalsContact CD2-C 3.46Å; F509-E527 WeakPolarHBondContact CD2-O 3.32Å; F509-E527 HydrophobicContact CE1-CB 3.95Å; F509-E527 HydrophobicContact CE1-CG 4.23Å; F509-E527 HydrophobicContact CG-CB 3.98Å; F509-E527 WeakPolarHBondContact CG-O 3.3Å |
| 510 | P | 95.8 | Very high | 94.2 | Very high | 66 Ų | 66 | 52.4 Ų | 52.4 | 43% | 0.429 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 159.4 | -172 | 27.5 | -36.4 | 0 | 0 | 0 | 112.2 | R498 E505 V512 | R498-P510 PolarHBondContact NE-O 2.96Å; R498-P510 PolarHBondContact NH2-O 3.33Å; E505-P510 VanDerWaalsContact OE1-CA 3.31Å; E505-P510 WeakPolarHBondContact OE1-CA 3.16Å; E505-P510 WeakPolarHBondContact OE1-CB 3.45Å; P510-V512 PolarHBondContact O-N 3.42Å |
| 511 | S | 97.3 | Very high | 94 | Very high | 17 Ų | 17 | 52.1 Ų | 52.1 | 12% | 0.119 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -48 | 137.5 | 175.5 | -64.5 | 0 | 0 | 0 | 0 | 112.3 | V496 F497 R498 E505 | V496-S511 WeakPolarHBondContact O-CA 3.09Å; F497-S511 VanDerWaalsContact CA-OG 3.3Å; F497-S511 WeakPolarHBondContact CA-OG 3.39Å; R498-S511 PolarHBondContact N-OG 3.4Å; R498-S511 VanDerWaalsContact N-OG 3.12Å; E505-S511 WeakPolarHBondContact OE1-CB 3.26Å; E505-S511 PolarHBondContact OE1-N 3.01Å; E505-S511 PolarHBondContact OE1-OG 3.12Å; E505-S511 PolarHBondContact OE2-OG 3.45Å |
| 512 | V | 95.3 | Very high | 93.9 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.03 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 131.4 | -171.3 | -174.3 | 0 | 0 | 0 | 0 | 109.4 | I396 L495 V496 P510 L514 K516 A517 | I396-V512 HydrophobicContact CD1-CG2 4.41Å; L495-V512 CarbonylContact C-O 3.58Å; L495-V512 WeakPolarHBondContact CA-O 3.41Å; V496-V512 PolarHBondContact N-O 2.87Å; V496-V512 PolarHBondContact O-N 2.89Å; P510-V512 PolarHBondContact O-N 3.42Å; V512-L514 PolarHBondContact O-N 2.93Å; V512-K516 HydrophobicContact CG1-CB 3.86Å; V512-A517 HydrophobicContact CB-CB 4.48Å; V512-A517 HydrophobicContact CG1-CB 4.09Å |
| 513 | P | 93.8 | Very high | 93.9 | Very high | 42 Ų | 42 | 43.9 Ų | 43.9 | 27% | 0.273 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 130.1 | 168 | -24 | 33.6 | 0 | 0 | 0 | 110.8 | L495 F515 K516 A517 | L495-P513 HydrophobicContact CD2-CB 4.34Å; L495-P513 HydrophobicContact CD2-CG 4.25Å; P513-F515 HydrophobicContact CB-CD1 3.69Å; P513-F515 HydrophobicContact CB-CE1 3.41Å; P513-F515 VanDerWaalsContact CB-CE1 3.41Å; P513-F515 HydrophobicContact CB-CZ 4.28Å; P513-F515 HydrophobicContact CG-CE1 4.32Å; P513-F515 PolarHBondContact O-N 3.01Å; P513-F515 VanDerWaalsContact O-N 3.13Å; P513-K516 HydrophobicContact CB-CG 4.24Å; P513-K516 HydrophobicContact CG-CD 4.39Å; P513-K516 CarbonylContact O-C 3.53Å; P513-K516 VanDerWaalsContact O-CA 3.31Å; P513-K516 WeakPolarHBondContact O-CA 3.5Å; P513-K516 WeakPolarHBondContact O-CB 3.13Å; P513-K516 PolarHBondContact O-N 3.11Å; P513-A517 PolarHBondContact O-N 3.35Å |
| 514 | L | 91.2 | Very high | 94 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -54.4 | -41 | -170.9 | 175.5 | 67.3 | 0 | 0 | 0 | 112.2 | I492 P494 V496 V512 K516 A517 F518 A554 V555 | I492-L514 HydrophobicContact CG2-CD2 3.17Å; P494-L514 PolarHBondContact O-N 3.45Å; V496-L514 HydrophobicContact CG2-CD1 3.68Å; V512-L514 PolarHBondContact O-N 2.93Å; L514-K516 PolarHBondContact O-N 2.63Å; L514-K516 VanDerWaalsContact O-N 3.12Å; L514-A517 WeakPolarHBondContact O-CB 3.32Å; L514-A517 PolarHBondContact O-N 3.19Å; L514-F518 HydrophobicContact CD1-CE1 4.04Å; L514-F518 HydrophobicContact CD1-CZ 4.22Å; L514-F518 HydrophobicContact CD2-CZ 4.09Å; L514-F518 HydrophobicContact CG-CE1 4.11Å; L514-F518 HydrophobicContact CG-CE2 4.33Å; L514-F518 HydrophobicContact CG-CZ 3.77Å; L514-A554 HydrophobicContact CB-CB 4.14Å; L514-A554 HydrophobicContact CD2-CB 4.25Å; L514-V555 HydrophobicContact CD2-CG1 3.91Å |
| 515 | F | 85.1 | Confident | 93.9 | Very high | 34 Ų | 34 | 34.6 Ų | 34.6 | 15% | 0.149 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -57.5 | -30.9 | 177.4 | 75.4 | -84.1 | 0 | 0 | 0 | 112 | P513 F518 R558 F562 | P513-F515 HydrophobicContact CB-CD1 3.69Å; P513-F515 HydrophobicContact CB-CE1 3.41Å; P513-F515 VanDerWaalsContact CB-CE1 3.41Å; P513-F515 HydrophobicContact CB-CZ 4.28Å; P513-F515 HydrophobicContact CG-CE1 4.32Å; P513-F515 PolarHBondContact O-N 3.01Å; P513-F515 VanDerWaalsContact O-N 3.13Å; F515-F518 WeakPolarHBondContact O-CD2 3.33Å; F515-R558 HydrophobicContact CB-CB 4.02Å; F515-R558 HydrophobicContact CG-CB 4.42Å; F515-F562 HydrophobicContact CD2-CB 3.98Å; F515-F562 HydrophobicContact CE2-CD2 4.47Å; F515-F562 WeakPolarHBondContact O-CB 3.47Å |
| 516 | K | 88.6 | Confident | 93.9 | Very high | 82 Ų | 82 | 33.3 Ų | 33.3 | 36% | 0.357 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -86.2 | -3.2 | 175.2 | -53.6 | -165.1 | 172.6 | 179.6 | 0 | 115.7 | V512 P513 L514 F562 | V512-K516 HydrophobicContact CG1-CB 3.86Å; P513-K516 HydrophobicContact CB-CG 4.24Å; P513-K516 HydrophobicContact CG-CD 4.39Å; P513-K516 CarbonylContact O-C 3.53Å; P513-K516 VanDerWaalsContact O-CA 3.31Å; P513-K516 WeakPolarHBondContact O-CA 3.5Å; P513-K516 WeakPolarHBondContact O-CB 3.13Å; P513-K516 PolarHBondContact O-N 3.11Å; L514-K516 PolarHBondContact O-N 2.63Å; L514-K516 VanDerWaalsContact O-N 3.12Å; K516-F562 VanDerWaalsContact CA-CD1 3.45Å; K516-F562 VanDerWaalsContact CA-CG 3.46Å; K516-F562 HydrophobicContact CB-CD1 4.06Å; K516-F562 HydrophobicContact CB-CD2 3.87Å; K516-F562 HydrophobicContact CB-CE1 3.94Å; K516-F562 HydrophobicContact CB-CE2 3.77Å; K516-F562 HydrophobicContact CB-CG 3.95Å; K516-F562 HydrophobicContact CB-CZ 3.73Å; K516-F562 HydrophobicContact CD-CD2 4.03Å; K516-F562 HydrophobicContact CD-CE2 3.57Å; K516-F562 HydrophobicContact CD-CZ 4.1Å; K516-F562 HydrophobicContact CG-CB 4.5Å; K516-F562 HydrophobicContact CG-CD2 3.46Å; K516-F562 VanDerWaalsContact CG-CD2 3.46Å; K516-F562 HydrophobicContact CG-CE2 3.48Å; K516-F562 VanDerWaalsContact CG-CE2 3.48Å; K516-F562 HydrophobicContact CG-CG 3.97Å; K516-F562 HydrophobicContact CG-CZ 3.99Å; K516-F562 WeakPolarHBondContact O-CE1 3.34Å |
| 517 | A | 91.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -11.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I396 V496 V512 P513 L514 T520 | I396-A517 HydrophobicContact CD1-CB 4.13Å; I396-A517 HydrophobicContact CG1-CB 4.17Å; V496-A517 HydrophobicContact CB-CB 4.37Å; V496-A517 HydrophobicContact CG2-CB 3.75Å; V512-A517 HydrophobicContact CB-CB 4.48Å; V512-A517 HydrophobicContact CG1-CB 4.09Å; P513-A517 PolarHBondContact O-N 3.35Å; L514-A517 WeakPolarHBondContact O-CB 3.32Å; L514-A517 PolarHBondContact O-N 3.19Å; A517-T520 PolarHBondContact O-OG1 3.25Å |
| 518 | F | 89.5 | Confident | 93.7 | Very high | 6 Ų | 6 | 29 Ų | 29 | 3% | 0.026 | 15% | 0.151 | C | C | . | . | B | Isolated β-bridge | trans | -69.7 | 131.8 | 178.5 | -60.3 | -54 | 0 | 0 | 0 | 111.9 | E394 N395 L514 F515 T520 V555 L559 F560 | E394-F518 WeakPolarHBondContact O-CA 3.39Å; E394-F518 WeakPolarHBondContact O-CD1 3.38Å; N395-F518 HydrophobicContact CB-CD1 4.11Å; N395-F518 HydrophobicContact CB-CE1 4.49Å; L514-F518 HydrophobicContact CD1-CE1 4.04Å; L514-F518 HydrophobicContact CD1-CZ 4.22Å; L514-F518 HydrophobicContact CD2-CZ 4.09Å; L514-F518 HydrophobicContact CG-CE1 4.11Å; L514-F518 HydrophobicContact CG-CE2 4.33Å; L514-F518 HydrophobicContact CG-CZ 3.77Å; F515-F518 WeakPolarHBondContact O-CD2 3.33Å; F518-T520 VanDerWaalsContact C-N 3.29Å; F518-T520 PolarHBondContact O-N 2.88Å; F518-V555 HydrophobicContact CZ-CG1 4.33Å; F518-L559 HydrophobicContact CE2-CD1 4.26Å; F518-L559 HydrophobicContact CZ-CD1 4.05Å; F518-F560 HydrophobicContact CB-CD1 3.95Å; F518-F560 HydrophobicContact CB-CE1 4.31Å; F518-F560 HydrophobicContact CD1-CD1 4.22Å; F518-F560 AromaticContact CD1-CE1 3.95Å; F518-F560 HydrophobicContact CD1-CE1 3.95Å; F518-F560 AromaticContact CD2-CD1 3.77Å; F518-F560 HydrophobicContact CD2-CD1 3.77Å; F518-F560 HydrophobicContact CD2-CE1 4.29Å; F518-F560 HydrophobicContact CE1-CE1 4.27Å; F518-F560 HydrophobicContact CE2-CD1 4.27Å; F518-F560 AromaticContact CG-CD1 3.74Å; F518-F560 HydrophobicContact CG-CD1 3.74Å; F518-F560 AromaticContact CG-CE1 3.95Å; F518-F560 HydrophobicContact CG-CE1 3.95Å |
| 519 | F | 89.8 | Confident | 93.8 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 0% | 0.004 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 43.5 | 178.7 | -47.4 | -75.7 | 0 | 0 | 0 | 114.6 | A66 L70 M366 C367 D393 E394 P521 F560 V563 | A66-F519 HydrophobicContact CB-CE2 4.12Å; L70-F519 HydrophobicContact CD1-CE1 4.16Å; L70-F519 HydrophobicContact CD1-CZ 4.41Å; L70-F519 HydrophobicContact CD2-CZ 4.28Å; M366-F519 HydrophobicContact CE-CD1 3.44Å; M366-F519 VanDerWaalsContact CE-CD1 3.44Å; M366-F519 HydrophobicContact CE-CE1 3.41Å; M366-F519 VanDerWaalsContact CE-CE1 3.41Å; M366-F519 HydrophobicContact CE-CG 4.31Å; M366-F519 HydrophobicContact CE-CZ 4.27Å; M366-F519 HydrophobicContact CG-CB 4.29Å; M366-F519 HydrophobicContact CG-CD1 4.04Å; M366-F519 HydrophobicContact CG-CD2 4.33Å; M366-F519 HydrophobicContact CG-CE1 4.43Å; M366-F519 HydrophobicContact CG-CG 3.96Å; M366-F519 HydrophobicContact SD-CD1 3.83Å; M366-F519 HydrophobicContact SD-CE1 3.64Å; M366-F519 HydrophobicContact SD-CE2 4.35Å; M366-F519 HydrophobicContact SD-CG 4.24Å; M366-F519 HydrophobicContact SD-CZ 3.91Å; C367-F519 WeakPolarHBondContact CA-O 3.36Å; D393-F519 HydrophobicContact CB-CD1 4.28Å; D393-F519 VanDerWaalsContact O-CA 3.22Å; D393-F519 WeakPolarHBondContact O-CA 3.31Å; D393-F519 VanDerWaalsContact O-CD1 3.3Å; D393-F519 WeakPolarHBondContact O-CD1 3.36Å; D393-F519 PolarHBondContact O-N 2.9Å; D393-F519 VanDerWaalsContact O-N 3.08Å; E394-F519 PolarHBondContact O-N 2.65Å; F519-P521 WeakPolarHBondContact O-CD 3.38Å; F519-F560 HydrophobicContact CD2-CD1 4.39Å; F519-F560 AromaticContact CE2-CD1 3.67Å; F519-F560 HydrophobicContact CE2-CD1 3.67Å; F519-F560 AromaticContact CE2-CE1 3.67Å; F519-F560 HydrophobicContact CE2-CE1 3.67Å; F519-F560 HydrophobicContact CE2-CG 4.2Å; F519-F560 HydrophobicContact CE2-CZ 4.17Å; F519-F560 HydrophobicContact CZ-CE1 4.16Å; F519-F560 HydrophobicContact CZ-CZ 4.31Å; F519-V563 HydrophobicContact CB-CG1 4.03Å; F519-V563 HydrophobicContact CD2-CG1 4.14Å; F519-V563 HydrophobicContact CD2-CG2 3.94Å; F519-V563 HydrophobicContact CE2-CG2 4.46Å |
| 520 | T | 92.9 | Very high | 94 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | trans | -120.3 | 55.3 | 177.9 | 52.9 | 0 | 0 | 0 | 0 | 112.5 | I396 A517 F518 W522 R523 F562 | I396-T520 WeakPolarHBondContact CG2-O 3.26Å; I396-T520 WeakPolarHBondContact CG2-OG1 3.42Å; A517-T520 PolarHBondContact O-OG1 3.25Å; F518-T520 VanDerWaalsContact C-N 3.29Å; F518-T520 PolarHBondContact O-N 2.88Å; T520-W522 PolarHBondContact O-N 2.68Å; T520-R523 WeakPolarHBondContact O-CB 3.34Å; T520-R523 PolarHBondContact O-N 2.8Å; T520-F562 HydrophobicContact CG2-CD1 4.31Å; T520-F562 HydrophobicContact CG2-CE1 3.88Å | ||
| 521 | P | 93.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.006 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -24.5 | -178.2 | 24.4 | -33.6 | 0 | 0 | 0 | 113 | C367 V382 F385 D393 F519 R523 V524 I525 | C367-P521 HydrophobicContact CB-CG 3.6Å; V382-P521 HydrophobicContact CG1-CB 4.29Å; V382-P521 HydrophobicContact CG1-CG 4.12Å; F385-P521 HydrophobicContact CD2-CB 3.66Å; F385-P521 HydrophobicContact CE2-CB 3.54Å; F385-P521 HydrophobicContact CZ-CB 4.44Å; D393-P521 WeakPolarHBondContact OD1-CB 3.42Å; F519-P521 WeakPolarHBondContact O-CD 3.38Å; P521-R523 PolarHBondContact O-N 3.11Å; P521-R523 VanDerWaalsContact O-N 3.1Å; P521-V524 WeakPolarHBondContact O-CB 3.48Å; P521-V524 PolarHBondContact O-N 3.38Å; P521-I525 PolarHBondContact O-N 2.88Å |
| 522 | W | 94.8 | Very high | 94.2 | Very high | 4 Ų | 4 | 17.8 Ų | 17.8 | 2% | 0.015 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -56.2 | -25.7 | 174.1 | 71.4 | -99.6 | 0 | 0 | 0 | 113.7 | T369 R370 V373 T374 V382 T520 V524 I525 F526 E527 | T369-W522 PolarHBondContact OG1-NE1 2.92Å; R370-W522 HydrophobicContact CB-CB 4.19Å; R370-W522 HydrophobicContact CB-CD2 3.92Å; R370-W522 HydrophobicContact CB-CG 3.72Å; R370-W522 HydrophobicContact CG-CB 4.32Å; R370-W522 HydrophobicContact CG-CD2 3.6Å; R370-W522 HydrophobicContact CG-CE3 3.75Å; R370-W522 HydrophobicContact CG-CG 3.87Å; R370-W522 HydrophobicContact CG-CZ3 4.26Å; V373-W522 HydrophobicContact CB-CZ2 4.16Å; V373-W522 HydrophobicContact CG1-CH2 4.32Å; V373-W522 HydrophobicContact CG1-CZ2 3.63Å; T374-W522 HydrophobicContact CG2-CH2 3.75Å; T374-W522 HydrophobicContact CG2-CZ2 4.3Å; T374-W522 HydrophobicContact CG2-CZ3 4.13Å; V382-W522 HydrophobicContact CB-CB 3.73Å; V382-W522 HydrophobicContact CG1-CB 4.42Å; V382-W522 HydrophobicContact CG2-CB 3.44Å; V382-W522 VanDerWaalsContact CG2-CB 3.44Å; T520-W522 PolarHBondContact O-N 2.68Å; W522-V524 VanDerWaalsContact C-N 3.35Å; W522-I525 PolarHBondContact O-N 3.09Å; W522-F526 HydrophobicContact CB-CD2 4.19Å; W522-F526 HydrophobicContact CE3-CB 4.46Å; W522-F526 WeakPolarHBondContact O-CB 3.29Å; W522-F526 WeakPolarHBondContact O-CD2 3.24Å; W522-F526 PolarHBondContact O-N 3.15Å; W522-E527 HydrophobicContact CE3-CG 4.38Å; W522-E527 HydrophobicContact CH2-CG 4.48Å; W522-E527 WeakPolarHBondContact CH2-OE1 3.32Å; W522-E527 VanDerWaalsContact CZ3-CD 3.47Å; W522-E527 HydrophobicContact CZ3-CG 3.74Å; W522-E527 WeakPolarHBondContact CZ3-OE1 3.33Å |
| 523 | R | 96.6 | Very high | 94.4 | Very high | 20 Ų | 20 | 17.8 Ų | 17.8 | 8% | 0.075 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -68.1 | -35.2 | 175 | -61.7 | -172.9 | 179.7 | -74 | -1.9 | 111.8 | I396 T520 P521 I525 E527 | I396-R523 HydrophobicContact CD1-CB 4.48Å; I396-R523 HydrophobicContact CG2-CB 4.32Å; T520-R523 WeakPolarHBondContact O-CB 3.34Å; T520-R523 PolarHBondContact O-N 2.8Å; P521-R523 PolarHBondContact O-N 3.11Å; P521-R523 VanDerWaalsContact O-N 3.1Å; R523-I525 VanDerWaalsContact C-N 3.27Å; R523-I525 PolarHBondContact O-N 2.67Å; R523-E527 HydrophobicContact CB-CB 4.38Å; R523-E527 HydrophobicContact CB-CG 4.43Å; R523-E527 WeakPolarHBondContact CB-OE2 3.34Å; R523-E527 WeakPolarHBondContact CD-OE2 3.46Å; R523-E527 VanDerWaalsContact CG-OE2 3.23Å; R523-E527 WeakPolarHBondContact CG-OE2 3.37Å; R523-E527 IonicContact CZ-OE2 3.8Å; R523-E527 IonicContact NH1-OE1 2.79Å; R523-E527 PolarHBondContact NH1-OE1 3.37Å; R523-E527 IonicContact NH1-OE2 2.8Å; R523-E527 PolarHBondContact NH1-OE2 2.9Å; R523-E527 CarbonylContact O-C 3.55Å; R523-E527 VanDerWaalsContact O-CA 3.25Å; R523-E527 WeakPolarHBondContact O-CA 3.32Å; R523-E527 VanDerWaalsContact O-CB 3.22Å; R523-E527 WeakPolarHBondContact O-CB 3.44Å; R523-E527 PolarHBondContact O-N 3.04Å |
| 524 | V | 97.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.006 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63.9 | -38.5 | 173.3 | 177.3 | 0 | 0 | 0 | 0 | 110.1 | L356 I396 T399 P521 W522 G529 I530 L533 | L356-V524 HydrophobicContact CD2-CG1 3.92Å; I396-V524 HydrophobicContact CB-CG2 4.3Å; T399-V524 HydrophobicContact CG2-CG2 4.26Å; P521-V524 WeakPolarHBondContact O-CB 3.48Å; P521-V524 PolarHBondContact O-N 3.38Å; W522-V524 VanDerWaalsContact C-N 3.35Å; V524-G529 WeakPolarHBondContact O-CA 3.23Å; V524-G529 PolarHBondContact O-N 2.61Å; V524-G529 VanDerWaalsContact O-N 3.15Å; V524-I530 HydrophobicContact CG1-CG2 3.69Å; V524-L533 HydrophobicContact CG2-CD1 4.17Å |
| 525 | I | 96.8 | Very high | 94.9 | Very high | 26 Ų | 26 | 16.4 Ų | 16.4 | 13% | 0.133 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -77.5 | -47 | -177.4 | -59.2 | -174.2 | 0 | 0 | 0 | 112.6 | F349 L356 F359 V382 F385 P521 W522 R523 | F349-I525 HydrophobicContact CB-CD1 4.41Å; F349-I525 HydrophobicContact CB-CG2 4.09Å; F349-I525 HydrophobicContact CD1-CG2 3.43Å; F349-I525 VanDerWaalsContact CD1-CG2 3.43Å; F349-I525 HydrophobicContact CD2-CD1 3.85Å; F349-I525 HydrophobicContact CD2-CG2 4.24Å; F349-I525 HydrophobicContact CE1-CG2 3.8Å; F349-I525 HydrophobicContact CE2-CD1 4.29Å; F349-I525 HydrophobicContact CG-CD1 4.12Å; F349-I525 HydrophobicContact CG-CG2 3.65Å; F349-I525 HydrophobicContact CZ-CG2 4.33Å; L356-I525 HydrophobicContact CD1-CG1 4.2Å; F359-I525 HydrophobicContact CE1-CD1 3.91Å; F359-I525 HydrophobicContact CZ-CD1 3.52Å; V382-I525 HydrophobicContact CB-CD1 4.49Å; V382-I525 HydrophobicContact CG1-CD1 3.47Å; V382-I525 VanDerWaalsContact CG1-CD1 3.47Å; V382-I525 HydrophobicContact CG1-CG1 4.5Å; V382-I525 HydrophobicContact CG2-CD1 4.14Å; F385-I525 HydrophobicContact CZ-CD1 4.08Å; F385-I525 HydrophobicContact CZ-CG1 4.11Å; P521-I525 PolarHBondContact O-N 2.88Å; W522-I525 PolarHBondContact O-N 3.09Å; R523-I525 VanDerWaalsContact C-N 3.27Å; R523-I525 PolarHBondContact O-N 2.67Å |
| 526 | F | 96.6 | Very high | 95.6 | Very high | 67 Ų | 67 | 14.8 Ų | 14.8 | 29% | 0.294 | 8% | 0.075 | S | C | . | . | H | α-helix | trans | -108.5 | -6.4 | -168.4 | -62.9 | -67.8 | 0 | 0 | 0 | 114.4 | F349 V382 W522 | F349-F526 HydrophobicContact CE1-CE1 4.04Å; F349-F526 AromaticContact CE1-CZ 3.77Å; F349-F526 HydrophobicContact CE1-CZ 3.77Å; F349-F526 AromaticContact CZ-CZ 3.92Å; F349-F526 HydrophobicContact CZ-CZ 3.92Å; V382-F526 HydrophobicContact CG2-CD2 4.2Å; V382-F526 HydrophobicContact CG2-CE2 3.56Å; W522-F526 HydrophobicContact CB-CD2 4.19Å; W522-F526 HydrophobicContact CE3-CB 4.46Å; W522-F526 WeakPolarHBondContact O-CB 3.29Å; W522-F526 WeakPolarHBondContact O-CD2 3.24Å; W522-F526 PolarHBondContact O-N 3.15Å |
| 527 | E | 96.1 | Very high | 96.1 | Very high | 31 Ų | 31 | 11 Ų | 11 | 15% | 0.145 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | 44.4 | -178.3 | -54.7 | -174 | 152.9 | 0 | 0 | 112.9 | R498 F509 W522 R523 | R498-E527 IonicContact CZ-OE2 3.42Å; R498-E527 IonicContact NH1-OE2 2.58Å; R498-E527 PolarHBondContact NH1-OE2 2.78Å; R498-E527 IonicContact NH2-OE2 3.37Å; R498-E527 PolarHBondContact NH2-OE2 3.06Å; F509-E527 HydrophobicContact CB-CB 4.44Å; F509-E527 HydrophobicContact CD1-CB 3.61Å; F509-E527 HydrophobicContact CD1-CG 4.05Å; F509-E527 VanDerWaalsContact CD2-C 3.46Å; F509-E527 WeakPolarHBondContact CD2-O 3.32Å; F509-E527 HydrophobicContact CE1-CB 3.95Å; F509-E527 HydrophobicContact CE1-CG 4.23Å; F509-E527 HydrophobicContact CG-CB 3.98Å; F509-E527 WeakPolarHBondContact CG-O 3.3Å; W522-E527 HydrophobicContact CE3-CG 4.38Å; W522-E527 HydrophobicContact CH2-CG 4.48Å; W522-E527 WeakPolarHBondContact CH2-OE1 3.32Å; W522-E527 VanDerWaalsContact CZ3-CD 3.47Å; W522-E527 HydrophobicContact CZ3-CG 3.74Å; W522-E527 WeakPolarHBondContact CZ3-OE1 3.33Å; R523-E527 HydrophobicContact CB-CB 4.38Å; R523-E527 HydrophobicContact CB-CG 4.43Å; R523-E527 WeakPolarHBondContact CB-OE2 3.34Å; R523-E527 WeakPolarHBondContact CD-OE2 3.46Å; R523-E527 VanDerWaalsContact CG-OE2 3.23Å; R523-E527 WeakPolarHBondContact CG-OE2 3.37Å; R523-E527 IonicContact CZ-OE2 3.8Å; R523-E527 IonicContact NH1-OE1 2.79Å; R523-E527 PolarHBondContact NH1-OE1 3.37Å; R523-E527 IonicContact NH1-OE2 2.8Å; R523-E527 PolarHBondContact NH1-OE2 2.9Å; R523-E527 CarbonylContact O-C 3.55Å; R523-E527 VanDerWaalsContact O-CA 3.25Å; R523-E527 WeakPolarHBondContact O-CA 3.32Å; R523-E527 VanDerWaalsContact O-CB 3.22Å; R523-E527 WeakPolarHBondContact O-CB 3.44Å; R523-E527 PolarHBondContact O-N 3.04Å |
| 528 | G | 94.6 | Very high | 96.4 | Very high | 26 Ų | 26 | 11 Ų | 11 | 27% | 0.268 | 6% | 0.059 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 99.6 | 13.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 117 | P532 | G528-P532 WeakPolarHBondContact O-CD 3.24Š|
| 529 | G | 97.8 | Very high | 96.8 | Very high | 5 Ų | 5 | 12 Ų | 12 | 5% | 0.052 | 7% | 0.07 | C | C | . | . | trans | 75.4 | -162.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | D351 V524 | D351-G529 WeakPolarHBondContact OD1-CA 3.47Å; V524-G529 WeakPolarHBondContact O-CA 3.23Å; V524-G529 PolarHBondContact O-N 2.61Å; V524-G529 VanDerWaalsContact O-N 3.15Å | ||
| 530 | I | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -86.9 | -16.3 | 178.8 | 69.3 | 173.9 | 0 | 0 | 0 | 113 | D351 T403 R407 V524 L533 L534 T694 | D351-I530 PolarHBondContact OD2-N 3.45Å; T403-I530 HydrophobicContact CG2-CD1 3.95Å; T403-I530 HydrophobicContact CG2-CG2 4.17Å; R407-I530 VanDerWaalsContact NH1-CD1 3.34Å; V524-I530 HydrophobicContact CG1-CG2 3.69Å; I530-L533 PolarHBondContact O-N 3.12Å; I530-L534 HydrophobicContact CB-CD1 4.41Å; I530-L534 HydrophobicContact CD1-CD1 3.85Å; I530-L534 HydrophobicContact CG1-CD1 3.99Å; I530-L534 WeakPolarHBondContact O-CG 3.45Å; I530-L534 PolarHBondContact O-N 3.34Å; I530-T694 HydrophobicContact CD1-CG2 4.4Å |
| 531 | D | 98.7 | Very high | 97.3 | Very high | 13 Ų | 13 | 14 Ų | 14 | 7% | 0.07 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -57.4 | -52.5 | -175.7 | -91.6 | 40.3 | 0 | 0 | 0 | 113.3 | L533 L534 R535 T694 G695 I696 | D531-L533 VanDerWaalsContact C-N 3.27Å; D531-L533 PolarHBondContact O-N 2.92Å; D531-L534 PolarHBondContact O-N 3.35Å; D531-R535 WeakPolarHBondContact O-CG 3.03Å; D531-R535 PolarHBondContact O-N 2.87Å; D531-R535 IonicContact OD2-NH2 3.55Å; D531-R535 PolarHBondContact OD2-NH2 3.19Å; D531-T694 VanDerWaalsContact OD1-CB 3.29Å; D531-T694 WeakPolarHBondContact OD1-CB 3.47Å; D531-G695 PolarHBondContact OD1-N 3.21Å; D531-G695 VanDerWaalsContact OD1-N 3.16Å; D531-G695 WeakPolarHBondContact OD2-CA 3.46Å; D531-G695 PolarHBondContact OD2-N 2.92Å; D531-I696 HydrophobicContact CB-CG1 4.37Å; D531-I696 PolarHBondContact OD2-N 3.45Å |
| 532 | P | 98.6 | Very high | 97.5 | Very high | 3 Ų | 3 | 14.1 Ų | 14.1 | 2% | 0.019 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.2 | -33.6 | 178.5 | -22.2 | 33.9 | 0 | 0 | 0 | 113.3 | R498 L499 G528 G536 | R498-P532 WeakPolarHBondContact CA-O 3.48Å; R498-P532 HydrophobicContact CB-CB 4.12Å; R498-P532 HydrophobicContact CG-CB 4.48Å; L499-P532 PolarHBondContact N-O 3.26Å; L499-P532 WeakPolarHBondContact O-CA 3.32Å; G528-P532 WeakPolarHBondContact O-CD 3.24Å; P532-G536 PolarHBondContact O-N 3.01Å |
| 533 | L | 98.7 | Very high | 97.5 | Very high | 5 Ų | 5 | 14.1 Ų | 14.1 | 3% | 0.026 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -69.6 | -47.9 | 178.8 | -69.9 | 165.2 | 0 | 0 | 0 | 110.7 | I396 S400 V496 R498 V524 I530 D531 R535 G536 L537 | I396-L533 HydrophobicContact CB-CD1 4.22Å; I396-L533 HydrophobicContact CD1-CD1 4.38Å; I396-L533 HydrophobicContact CD1-CD2 3.75Å; I396-L533 HydrophobicContact CG1-CD1 4.23Å; I396-L533 HydrophobicContact CG1-CD2 3.87Å; S400-L533 WeakPolarHBondContact OG-CD1 3.39Å; V496-L533 HydrophobicContact CG1-CD2 3.65Å; R498-L533 HydrophobicContact CG-CD2 3.63Å; R498-L533 HydrophobicContact CG-CG 4.19Å; V524-L533 HydrophobicContact CG2-CD1 4.17Å; I530-L533 PolarHBondContact O-N 3.12Å; D531-L533 VanDerWaalsContact C-N 3.27Å; D531-L533 PolarHBondContact O-N 2.92Å; L533-R535 PolarHBondContact O-N 2.7Å; L533-G536 CarbonylContact O-C 3.28Å; L533-G536 WeakPolarHBondContact O-CA 3.43Å; L533-G536 PolarHBondContact O-N 3.25Å; L533-L537 WeakPolarHBondContact O-CG 3.17Å; L533-L537 PolarHBondContact O-N 2.99Å |
| 534 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.8 | -38.6 | 177.1 | -69.5 | 176.3 | 0 | 0 | 0 | 112 | L404 I530 D531 G536 L537 I538 T694 I696 | L404-L534 HydrophobicContact CD1-CD1 4.16Å; L404-L534 HydrophobicContact CD2-CD2 4.47Å; I530-L534 HydrophobicContact CB-CD1 4.41Å; I530-L534 HydrophobicContact CD1-CD1 3.85Å; I530-L534 HydrophobicContact CG1-CD1 3.99Å; I530-L534 WeakPolarHBondContact O-CG 3.45Å; I530-L534 PolarHBondContact O-N 3.34Å; D531-L534 PolarHBondContact O-N 3.35Å; L534-G536 VanDerWaalsContact C-N 3.32Å; L534-G536 PolarHBondContact O-N 3.12Å; L534-L537 HydrophobicContact CD2-CD1 4.26Å; L534-L537 PolarHBondContact O-N 3.14Å; L534-I538 WeakPolarHBondContact O-CG1 3.47Å; L534-I538 PolarHBondContact O-N 2.67Å; L534-I538 VanDerWaalsContact O-N 3.12Å; L534-T694 HydrophobicContact CD1-CG2 3.47Å; L534-T694 VanDerWaalsContact CD1-CG2 3.47Å; L534-I696 HydrophobicContact CB-CD1 3.85Å |
| 535 | R | 98.7 | Very high | 97.3 | Very high | 19 Ų | 19 | 16.1 Ų | 16.1 | 7% | 0.072 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.4 | -42 | 169.5 | -68.9 | -172.8 | -150 | 99 | 9.2 | 111.5 | L499 A500 Y503 D531 L533 L537 I538 G539 I696 | L499-R535 HydrophobicContact CB-CB 3.9Å; L499-R535 PolarHBondContact O-NH1 2.81Å; A500-R535 VanDerWaalsContact O-CD 3.31Å; A500-R535 WeakPolarHBondContact O-CD 3.35Å; Y503-R535 HydrophobicContact CE1-CB 4.28Å; Y503-R535 HydrophobicContact CE1-CG 4.49Å; Y503-R535 HydrophobicContact CE2-CG 4.49Å; D531-R535 WeakPolarHBondContact O-CG 3.03Å; D531-R535 PolarHBondContact O-N 2.87Å; D531-R535 IonicContact OD2-NH2 3.55Å; D531-R535 PolarHBondContact OD2-NH2 3.19Å; L533-R535 PolarHBondContact O-N 2.7Å; R535-L537 VanDerWaalsContact C-N 3.33Å; R535-L537 PolarHBondContact O-N 3.5Å; R535-I538 PolarHBondContact O-N 3.41Å; R535-G539 VanDerWaalsContact O-CA 3.25Å; R535-G539 WeakPolarHBondContact O-CA 3.45Å; R535-G539 PolarHBondContact O-N 3.21Å; R535-I696 HydrophobicContact CG-CD1 3.7Å; R535-I696 HydrophobicContact CG-CG1 3.99Å; R535-I696 HydrophobicContact CG-CG2 4.37Å |
| 536 | G | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.7 | -38.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | P532 L533 L534 S540 | P532-G536 PolarHBondContact O-N 3.01Å; L533-G536 CarbonylContact O-C 3.28Å; L533-G536 WeakPolarHBondContact O-CA 3.43Å; L533-G536 PolarHBondContact O-N 3.25Å; L534-G536 VanDerWaalsContact C-N 3.32Å; L534-G536 PolarHBondContact O-N 3.12Å; G536-S540 VanDerWaalsContact O-CB 3.24Å; G536-S540 WeakPolarHBondContact O-CB 3.15Å; G536-S540 PolarHBondContact O-N 3.48Å; G536-S540 VanDerWaalsContact O-N 3.11Å; G536-S540 PolarHBondContact O-OG 3.16Å |
| 537 | L | 98.5 | Very high | 97 | Very high | 3 Ų | 3 | 15.3 Ų | 15.3 | 2% | 0.016 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66.8 | -44.6 | 177.6 | -67 | -176.2 | 0 | 0 | 0 | 112.7 | H221 M222 F225 A397 I401 L533 L534 R535 | H221-L537 CarbonylContact C-O 3.59Å; H221-L537 PolarHBondContact N-O 3.13Å; M222-L537 HydrophobicContact CB-CB 4.33Å; M222-L537 HydrophobicContact CE-CB 3.74Å; M222-L537 HydrophobicContact CE-CD1 3.91Å; M222-L537 HydrophobicContact CE-CG 4.5Å; M222-L537 PolarHBondContact N-O 3.21Å; M222-L537 HydrophobicContact SD-CB 4.42Å; M222-L537 HydrophobicContact SD-CD1 4.28Å; F225-L537 HydrophobicContact CB-CD2 4.36Å; F225-L537 HydrophobicContact CD2-CD2 3.35Å; F225-L537 HydrophobicContact CE2-CD2 3.89Å; F225-L537 HydrophobicContact CG-CD2 4.08Å; A397-L537 HydrophobicContact CB-CD1 4.35Å; A397-L537 HydrophobicContact CB-CD2 4.05Å; I401-L537 HydrophobicContact CD1-CD1 4.09Å; I401-L537 HydrophobicContact CG1-CD1 4.13Å; L533-L537 WeakPolarHBondContact O-CG 3.17Å; L533-L537 PolarHBondContact O-N 2.99Å; L534-L537 HydrophobicContact CD2-CD1 4.26Å; L534-L537 PolarHBondContact O-N 3.14Å; R535-L537 VanDerWaalsContact C-N 3.33Å; R535-L537 PolarHBondContact O-N 3.5Å |
| 538 | I | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -91.2 | -10.1 | -176.9 | 71.9 | -163.8 | 0 | 0 | 0 | 113.5 | M222 Y503 L534 R535 I690 V699 P700 A703 | M222-I538 HydrophobicContact CB-CG2 4.37Å; M222-I538 HydrophobicContact CE-CG2 3.67Å; Y503-I538 HydrophobicContact CE1-CG1 4.09Å; L534-I538 WeakPolarHBondContact O-CG1 3.47Å; L534-I538 PolarHBondContact O-N 2.67Å; L534-I538 VanDerWaalsContact O-N 3.12Å; R535-I538 PolarHBondContact O-N 3.41Å; I538-I690 HydrophobicContact CD1-CD1 4.1Å; I538-I690 HydrophobicContact CG2-CD1 3.8Å; I538-V699 HydrophobicContact CD1-CB 4.32Å; I538-V699 HydrophobicContact CD1-CG1 4Å; I538-P700 HydrophobicContact CB-CG 3.95Å; I538-P700 HydrophobicContact CG1-CG 4.21Å; I538-A703 HydrophobicContact CG2-CB 3.98Å |
| 539 | G | 97.5 | Very high | 96.1 | Very high | 25 Ų | 25 | 21.3 Ų | 21.3 | 26% | 0.258 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -107.7 | -24.5 | -175 | 0 | 0 | 0 | 0 | 0 | 114.7 | R535 | R535-G539 VanDerWaalsContact O-CA 3.25Å; R535-G539 WeakPolarHBondContact O-CA 3.45Å; R535-G539 PolarHBondContact O-N 3.21Å |
| 540 | S | 97.7 | Very high | 95.8 | Very high | 13 Ų | 13 | 21.1 Ų | 21.1 | 9% | 0.091 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -103.2 | 152.8 | 178.9 | -59.9 | 0 | 0 | 0 | 0 | 111.7 | A220 H221 F497 G536 | A220-S540 CarbonylContact C-O 3.49Å; A220-S540 WeakPolarHBondContact CA-O 3.41Å; H221-S540 WeakPolarHBondContact CB-O 3.49Å; H221-S540 PolarHBondContact N-O 2.87Å; F497-S540 WeakPolarHBondContact CB-OG 3.1Å; F497-S540 WeakPolarHBondContact CD2-OG 3.43Å; F497-S540 VanDerWaalsContact CG-OG 3.25Å; F497-S540 WeakPolarHBondContact CG-OG 3.38Å; G536-S540 VanDerWaalsContact O-CB 3.24Å; G536-S540 WeakPolarHBondContact O-CB 3.15Å; G536-S540 PolarHBondContact O-N 3.48Å; G536-S540 VanDerWaalsContact O-N 3.11Å; G536-S540 PolarHBondContact O-OG 3.16Å |
| 541 | P | 97 | Very high | 95.5 | Very high | 33 Ų | 33 | 21.1 Ų | 21.1 | 21% | 0.214 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 150.1 | 178 | 30.2 | -35.4 | 0 | 0 | 0 | 112.6 | N215 D216 Q493 V706 | N215-P541 HydrophobicContact CB-CB 4.04Å; N215-P541 HydrophobicContact CB-CG 3.78Å; D216-P541 WeakPolarHBondContact O-CB 3.42Å; Q493-P541 PolarHBondContact NE2-O 2.87Å; P541-V706 HydrophobicContact CB-CG1 4.22Å |
| 542 | A | 96.3 | Very high | 95.2 | Very high | 3 Ų | 3 | 20.6 Ų | 20.6 | 3% | 0.025 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 166.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | D216 Y219 Q493 | D216-A542 HydrophobicContact CB-CB 4.12Å; D216-A542 WeakPolarHBondContact CB-O 3.35Å; D216-A542 PolarHBondContact N-O 3.35Å; Y219-A542 PolarHBondContact O-N 2.87Å; Q493-A542 VanDerWaalsContact NE2-C 3.27Å; Q493-A542 PolarHBondContact NE2-O 3.03Å |
| 543 | K | 95.7 | Very high | 94.6 | Very high | 3 Ų | 3 | 22.1 Ų | 22.1 | 1% | 0.013 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 134.5 | 166.6 | 167.8 | -180 | -179.9 | -56.2 | 0 | 108.9 | V213 L490 A491 I492 Q493 H549 M550 V552 | V213-K543 HydrophobicContact CG1-CB 4.28Å; V213-K543 HydrophobicContact CG1-CD 4.05Å; V213-K543 HydrophobicContact CG1-CG 3.95Å; V213-K543 HydrophobicContact CG2-CD 4.45Å; L490-K543 WeakPolarHBondContact O-CD 3.48Å; L490-K543 PolarHBondContact O-NZ 3.42Å; A491-K543 WeakPolarHBondContact CA-O 3.33Å; A491-K543 PolarHBondContact O-N 2.69Å; I492-K543 WeakPolarHBondContact O-CD 3.42Å; Q493-K543 HydrophobicContact CG-CB 4.1Å; K543-H549 PolarHBondContact NZ-O 3.32Å; K543-M550 WeakPolarHBondContact CE-O 3.48Å; K543-M550 PolarHBondContact NZ-O 3.07Å; K543-V552 HydrophobicContact CD-CG1 3.79Å |
| 544 | L | 95.7 | Very high | 93.9 | Very high | 43 Ų | 43 | 22 Ų | 22 | 23% | 0.225 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 129.1 | 168.2 | -166.3 | 68.9 | 0 | 0 | 0 | 109.4 | V214 D216 F638 | V214-L544 HydrophobicContact CB-CB 4.42Å; V214-L544 HydrophobicContact CG1-CB 4.25Å; V214-L544 HydrophobicContact CG1-CD2 4.14Å; V214-L544 PolarHBondContact O-N 2.82Å; D216-L544 HydrophobicContact CB-CB 4.41Å; L544-F638 HydrophobicContact CD1-CD2 4.48Å; L544-F638 HydrophobicContact CD1-CE2 3.71Å; L544-F638 HydrophobicContact CG-CE2 4.31Å |
| 545 | N | 94 | Very high | 93.3 | Very high | 21 Ų | 21 | 22.1 Ų | 22.1 | 11% | 0.112 | 12% | 0.124 | C | C | . | . | P | Polyproline II helix | trans | -72.3 | 137.1 | 169.2 | -174.6 | 42.7 | 0 | 0 | 0 | 109.8 | L490 V634 F638 | L490-N545 HydrophobicContact CB-CB 4.01Å; N545-V634 PolarHBondContact ND2-O 2.98Å; N545-F638 HydrophobicContact CB-CE1 4.28Å; N545-F638 HydrophobicContact CB-CZ 3.69Å |
| 546 | T | 92.6 | Very high | 92.9 | Very high | 35 Ų | 35 | 21.7 Ų | 21.7 | 22% | 0.215 | 12% | 0.122 | C | C | . | . | B | Isolated β-bridge | trans | -132.2 | 151 | 172.3 | 70.8 | 0 | 0 | 0 | 0 | 109.3 | V214 D548 H549 M550 | V214-T546 HydrophobicContact CB-CG2 4.29Å; V214-T546 HydrophobicContact CG2-CG2 4.13Å; T546-D548 PolarHBondContact O-N 3.38Å; T546-H549 CarbonylContact O-C 3.59Å; T546-H549 PolarHBondContact O-N 3.37Å; T546-H549 WeakPolarHBondContact OG1-CB 3.38Å; T546-H549 PolarHBondContact OG1-N 3.46Å; T546-H549 PolarHBondContact OG1-O 2.82Å; T546-M550 WeakPolarHBondContact O-CG 3.23Å |
| 547 | Q | 94.4 | Very high | 92.1 | Very high | 41 Ų | 41 | 22.8 Ų | 22.8 | 19% | 0.192 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -19.3 | -174.6 | -77.2 | 176.3 | -33.6 | 0 | 0 | 114.1 | L608 N610 L613 A635 | Q547-L608 PolarHBondContact NE2-O 3.33Å; Q547-N610 PolarHBondContact OE1-ND2 3.43Å; Q547-L613 HydrophobicContact CB-CD2 3.93Å; Q547-L613 HydrophobicContact CG-CD2 3.92Å; Q547-A635 PolarHBondContact NE2-O 2.92Å |
| 548 | D | 87.3 | Confident | 91 | Very high | 105 Ų | 105 | 27.7 Ų | 27.7 | 56% | 0.561 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | -11.7 | -178.8 | -52.1 | -37.9 | 0 | 0 | 0 | 112.4 | T546 | T546-D548 PolarHBondContact O-N 3.38Š|
| 549 | H | 83.7 | Confident | 90 | Very high | 78 Ų | 78 | 28.1 Ų | 28.1 | 36% | 0.361 | 15% | 0.148 | S | C | . | . | B | Isolated β-bridge | trans | -143 | 69.7 | -175.8 | -59.6 | 92.7 | 0 | 0 | 0 | 110.6 | T208 K543 T546 | T208-H549 VanDerWaalsContact OG1-CB 3.26Å; T208-H549 WeakPolarHBondContact OG1-CB 3.44Å; T208-H549 PolarHBondContact OG1-CD2 3.29Å; K543-H549 PolarHBondContact NZ-O 3.32Å; T546-H549 CarbonylContact O-C 3.59Å; T546-H549 PolarHBondContact O-N 3.37Å; T546-H549 WeakPolarHBondContact OG1-CB 3.38Å; T546-H549 PolarHBondContact OG1-N 3.46Å; T546-H549 PolarHBondContact OG1-O 2.82Å |
| 550 | M | 91.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -77.5 | -65.7 | -168.1 | -76.5 | -168.6 | -174.1 | 0 | 0 | 113.2 | I205 L206 L490 K543 T546 L613 A635 | I205-M550 HydrophobicContact CG2-CE 4.48Å; I205-M550 HydrophobicContact CG2-SD 4.29Å; L206-M550 HydrophobicContact CD2-CB 4.16Å; L206-M550 HydrophobicContact CD2-SD 3.63Å; L490-M550 HydrophobicContact CD2-CB 3.63Å; L490-M550 HydrophobicContact CD2-CG 4.48Å; L490-M550 WeakPolarHBondContact CD2-O 3.37Å; K543-M550 WeakPolarHBondContact CE-O 3.48Å; K543-M550 PolarHBondContact NZ-O 3.07Å; T546-M550 WeakPolarHBondContact O-CG 3.23Å; M550-L613 HydrophobicContact CE-CD2 4Å; M550-A635 HydrophobicContact CE-CB 4.21Å | ||
| 551 | M | 93.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 120.6 | -164.1 | -169.1 | 168.5 | -80.9 | 0 | 0 | 113.6 | L206 T208 H489 L490 V555 R556 L570 G571 W630 | L206-M551 HydrophobicContact CB-CB 4.13Å; L206-M551 WeakPolarHBondContact O-CA 3.28Å; L206-M551 WeakPolarHBondContact O-CB 3.23Å; L206-M551 PolarHBondContact O-N 2.8Å; T208-M551 VanDerWaalsContact CG2-C 3.44Å; T208-M551 WeakPolarHBondContact CG2-O 3.17Å; T208-M551 PolarHBondContact N-O 2.91Å; H489-M551 HydrophobicContact CB-CE 3.97Å; L490-M551 HydrophobicContact CD2-CB 3.86Å; L490-M551 HydrophobicContact CD2-CE 3.96Å; L490-M551 HydrophobicContact CG-CE 4.37Å; M551-V555 HydrophobicContact CG-CG2 3.6Å; M551-V555 HydrophobicContact SD-CG2 4.07Å; M551-R556 HydrophobicContact CG-CB 4.09Å; M551-R556 HydrophobicContact SD-CB 4.34Å; M551-L570 HydrophobicContact SD-CB 4.3Å; M551-G571 PolarHBondContact SD-N 3.05Å; M551-W630 HydrophobicContact CE-CH2 3.64Å; M551-W630 HydrophobicContact CE-CZ2 3.74Å |
| 552 | V | 91.4 | Very high | 84.4 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.012 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 148.5 | -177.3 | -60.4 | 0 | 0 | 0 | 0 | 112.9 | T208 V213 I492 K543 A554 V555 R556 | T208-V552 HydrophobicContact CG2-CB 4.44Å; T208-V552 HydrophobicContact CG2-CG1 4.04Å; V213-V552 HydrophobicContact CG2-CG1 3.49Å; V213-V552 VanDerWaalsContact CG2-CG1 3.49Å; I492-V552 HydrophobicContact CG2-CG2 4.42Å; K543-V552 HydrophobicContact CD-CG1 3.79Å; V552-A554 HydrophobicContact CG2-CB 4.07Å; V552-A554 PolarHBondContact O-N 3.29Å; V552-A554 VanDerWaalsContact O-N 3.12Å; V552-V555 HydrophobicContact CG2-CG2 3.97Å; V552-V555 PolarHBondContact O-N 3.08Å; V552-V555 VanDerWaalsContact O-N 3.09Å; V552-R556 PolarHBondContact O-N 3.39Å |
| 553 | N | 87.4 | Confident | 82.2 | Confident | 36 Ų | 36 | 30.7 Ų | 30.7 | 19% | 0.193 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.4 | -29.4 | -179.9 | -74.9 | -30 | 0 | 0 | 0 | 112.8 | T208 V555 R556 D557 R558 | T208-N553 PolarHBondContact O-OD1 3.19Å; N553-V555 PolarHBondContact O-N 2.96Å; N553-V555 VanDerWaalsContact O-N 3.12Å; N553-R556 PolarHBondContact O-N 2.86Å; N553-R556 PolarHBondContact OD1-NH2 3.09Å; N553-D557 CarbonylContact O-C 3.48Å; N553-D557 PolarHBondContact O-N 2.92Å; N553-R558 PolarHBondContact O-N 3.5Å |
| 554 | A | 82.6 | Confident | 80.1 | Confident | 3 Ų | 3 | 30.8 Ų | 30.8 | 3% | 0.025 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -54 | -30.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L514 V552 R558 L559 | L514-A554 HydrophobicContact CB-CB 4.14Å; L514-A554 HydrophobicContact CD2-CB 4.25Å; V552-A554 HydrophobicContact CG2-CB 4.07Å; V552-A554 PolarHBondContact O-N 3.29Å; V552-A554 VanDerWaalsContact O-N 3.12Å; A554-R558 CarbonylContact O-C 3.4Å; A554-R558 VanDerWaalsContact O-C 3.22Å; A554-L559 PolarHBondContact O-N 2.9Å |
| 555 | V | 86.6 | Confident | 77.8 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.012 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -117.9 | -18.6 | 179.5 | -60.9 | 0 | 0 | 0 | 0 | 113.9 | I492 L514 F518 M551 V552 N553 L559 L570 | I492-V555 HydrophobicContact CD1-CG1 4.28Å; I492-V555 HydrophobicContact CG2-CG1 4.3Å; L514-V555 HydrophobicContact CD2-CG1 3.91Å; F518-V555 HydrophobicContact CZ-CG1 4.33Å; M551-V555 HydrophobicContact CG-CG2 3.6Å; M551-V555 HydrophobicContact SD-CG2 4.07Å; V552-V555 HydrophobicContact CG2-CG2 3.97Å; V552-V555 PolarHBondContact O-N 3.08Å; V552-V555 VanDerWaalsContact O-N 3.09Å; N553-V555 PolarHBondContact O-N 2.96Å; N553-V555 VanDerWaalsContact O-N 3.12Å; V555-L559 HydrophobicContact CB-CD1 4.48Å; V555-L559 HydrophobicContact CG1-CD1 4.37Å; V555-L570 HydrophobicContact CB-CB 4.19Å; V555-L570 HydrophobicContact CB-CD2 3.98Å; V555-L570 HydrophobicContact CG1-CD2 4.42Å; V555-L570 HydrophobicContact CG2-CD2 4.36Å; V555-L570 VanDerWaalsContact O-CB 3.23Å; V555-L570 WeakPolarHBondContact O-CB 3.09Å; V555-L570 PolarHBondContact O-N 3.49Å |
| 556 | R | 90.4 | Very high | 75.9 | Confident | 9 Ų | 9 | 34.3 Ų | 34.3 | 3% | 0.034 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -84.4 | -37.3 | 175.2 | -166.5 | -171.1 | 63.2 | 72.8 | 4.9 | 113.5 | R199 S202 N203 S207 M551 V552 N553 D569 | R199-R556 PolarHBondContact NH1-O 2.98Å; S202-R556 WeakPolarHBondContact OG-CG 3.39Å; N203-R556 PolarHBondContact OD1-NH1 2.7Å; S207-R556 PolarHBondContact OG-NH2 3.01Å; M551-R556 HydrophobicContact CG-CB 4.09Å; M551-R556 HydrophobicContact SD-CB 4.34Å; V552-R556 PolarHBondContact O-N 3.39Å; N553-R556 PolarHBondContact O-N 2.86Å; N553-R556 PolarHBondContact OD1-NH2 3.09Å; R556-D569 WeakPolarHBondContact O-CA 2.9Å; R556-D569 WeakPolarHBondContact O-CB 3.19Å; R556-D569 VanDerWaalsContact O-CG 3.26Å |
| 557 | D | 81.9 | Confident | 74.8 | Confident | 24 Ų | 24 | 32.8 Ų | 32.8 | 13% | 0.128 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.1 | -11.1 | -172.6 | -92.1 | -6.4 | 0 | 0 | 0 | 113.8 | R199 R273 N553 A567 | R199-D557 IonicContact CZ-OD1 2.7Å; R199-D557 IonicContact NH1-OD1 3.62Å; R199-D557 PolarHBondContact NH1-OD1 3.27Å; R199-D557 IonicContact NH2-OD1 3.87Å; R199-D557 PolarHBondContact NH2-OD1 3.37Å; R273-D557 IonicContact NE-OD1 3.64Å; R273-D557 PolarHBondContact NE-OD1 3.48Å; N553-D557 CarbonylContact O-C 3.48Å; N553-D557 PolarHBondContact O-N 2.92Å; D557-A567 WeakPolarHBondContact O-CB 3.23Å |
| 558 | R | 75.6 | Confident | 74.2 | Confident | 106 Ų | 106 | 30.9 Ų | 30.9 | 40% | 0.4 | 15% | 0.147 | S | C | . | . | trans | -130.4 | 17.5 | -174.7 | -52.3 | -162.7 | 172.7 | 174.8 | -0.3 | 113.5 | F515 N553 A554 F560 Q561 | F515-R558 HydrophobicContact CB-CB 4.02Å; F515-R558 HydrophobicContact CG-CB 4.42Å; N553-R558 PolarHBondContact O-N 3.5Å; A554-R558 CarbonylContact O-C 3.4Å; A554-R558 VanDerWaalsContact O-C 3.22Å; R558-F560 PolarHBondContact O-N 2.94Å; R558-Q561 HydrophobicContact CB-CB 4Å; R558-Q561 VanDerWaalsContact CB-OE1 3.31Å; R558-Q561 WeakPolarHBondContact O-CB 3.15Å; R558-Q561 PolarHBondContact O-N 3.02Å | ||
| 559 | L | 76.7 | Confident | 74.4 | Confident | 8 Ų | 8 | 25.9 Ų | 25.9 | 4% | 0.042 | 12% | 0.12 | C | C | . | . | B | Isolated β-bridge | trans | -59.8 | 118.6 | -179.7 | -176.5 | 69.8 | 0 | 0 | 0 | 109.2 | F518 A554 V555 Q561 L568 L570 L573 | F518-L559 HydrophobicContact CE2-CD1 4.26Å; F518-L559 HydrophobicContact CZ-CD1 4.05Å; A554-L559 PolarHBondContact O-N 2.9Å; V555-L559 HydrophobicContact CB-CD1 4.48Å; V555-L559 HydrophobicContact CG1-CD1 4.37Å; L559-Q561 PolarHBondContact O-N 3.04Å; L559-Q561 VanDerWaalsContact O-N 3.17Å; L559-L568 HydrophobicContact CB-CB 4.05Å; L559-L568 HydrophobicContact CD2-CB 3.96Å; L559-L568 HydrophobicContact CD2-CD1 4.48Å; L559-L568 HydrophobicContact CG-CB 4.34Å; L559-L568 PolarHBondContact O-N 3.39Å; L559-L570 HydrophobicContact CD2-CB 4.08Å; L559-L570 HydrophobicContact CD2-CD1 4.17Å; L559-L573 HydrophobicContact CD2-CD1 4.19Å |
| 560 | F | 69.3 | Low | 74.8 | Confident | 4 Ų | 4 | 23.4 Ų | 23.4 | 2% | 0.018 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 16.9 | -173.5 | -51.5 | -38.3 | 0 | 0 | 0 | 115.7 | P63 L67 L70 E394 F518 F519 R558 F562 V563 M564 L568 | P63-F560 HydrophobicContact CB-CB 4.2Å; L67-F560 HydrophobicContact CB-CD2 4.21Å; L67-F560 HydrophobicContact CB-CE2 4.02Å; L67-F560 HydrophobicContact CD1-CE2 4.07Å; L70-F560 HydrophobicContact CD2-CZ 4.37Å; E394-F560 HydrophobicContact CG-CE1 4.42Å; F518-F560 HydrophobicContact CB-CD1 3.95Å; F518-F560 HydrophobicContact CB-CE1 4.31Å; F518-F560 HydrophobicContact CD1-CD1 4.22Å; F518-F560 AromaticContact CD1-CE1 3.95Å; F518-F560 HydrophobicContact CD1-CE1 3.95Å; F518-F560 AromaticContact CD2-CD1 3.77Å; F518-F560 HydrophobicContact CD2-CD1 3.77Å; F518-F560 HydrophobicContact CD2-CE1 4.29Å; F518-F560 HydrophobicContact CE1-CE1 4.27Å; F518-F560 HydrophobicContact CE2-CD1 4.27Å; F518-F560 AromaticContact CG-CD1 3.74Å; F518-F560 HydrophobicContact CG-CD1 3.74Å; F518-F560 AromaticContact CG-CE1 3.95Å; F518-F560 HydrophobicContact CG-CE1 3.95Å; F519-F560 HydrophobicContact CD2-CD1 4.39Å; F519-F560 AromaticContact CE2-CD1 3.67Å; F519-F560 HydrophobicContact CE2-CD1 3.67Å; F519-F560 AromaticContact CE2-CE1 3.67Å; F519-F560 HydrophobicContact CE2-CE1 3.67Å; F519-F560 HydrophobicContact CE2-CG 4.2Å; F519-F560 HydrophobicContact CE2-CZ 4.17Å; F519-F560 HydrophobicContact CZ-CE1 4.16Å; F519-F560 HydrophobicContact CZ-CZ 4.31Å; R558-F560 PolarHBondContact O-N 2.94Å; F560-F562 VanDerWaalsContact C-N 3.25Å; F560-F562 PolarHBondContact O-N 3.32Å; F560-V563 HydrophobicContact CB-CG2 3.89Å; F560-V563 WeakPolarHBondContact O-CG2 3.24Å; F560-V563 PolarHBondContact O-N 2.92Å; F560-M564 VanDerWaalsContact O-CB 3.32Å; F560-M564 WeakPolarHBondContact O-CB 3.19Å; F560-M564 PolarHBondContact O-N 3Å; F560-M564 VanDerWaalsContact O-N 3.14Å; F560-L568 HydrophobicContact CD2-CD1 4.44Å |
| 561 | Q | 56.3 | Low | 75 | Confident | 78 Ų | 78 | 23.4 Ų | 23.4 | 36% | 0.364 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -28.8 | 180 | -167.4 | -175.1 | 12.5 | 0 | 0 | 113.3 | R558 L559 M564 A567 | R558-Q561 HydrophobicContact CB-CB 4Å; R558-Q561 VanDerWaalsContact CB-OE1 3.31Å; R558-Q561 WeakPolarHBondContact O-CB 3.15Å; R558-Q561 PolarHBondContact O-N 3.02Å; L559-Q561 PolarHBondContact O-N 3.04Å; L559-Q561 VanDerWaalsContact O-N 3.17Å; Q561-M564 CarbonylContact C-O 3.59Å; Q561-M564 VanDerWaalsContact C-O 3.28Å; Q561-M564 VanDerWaalsContact CA-O 3.26Å; Q561-M564 WeakPolarHBondContact CA-O 3.41Å; Q561-M564 CarbonylContact O-C 3.14Å; Q561-M564 PolarHBondContact O-N 2.86Å; Q561-A567 HydrophobicContact CB-CB 3.8Å; Q561-A567 HydrophobicContact CG-CB 3.95Å |
| 562 | F | 49.8 | Very low | 75.2 | Confident | 36 Ų | 36 | 23.4 Ų | 23.4 | 16% | 0.158 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -38.9 | -176.5 | -177.9 | -115.3 | 0 | 0 | 0 | 113.7 | V373 F515 K516 T520 F560 M564 | V373-F562 HydrophobicContact CB-CE1 4.4Å; V373-F562 HydrophobicContact CB-CZ 3.98Å; V373-F562 HydrophobicContact CG1-CE1 4.17Å; V373-F562 HydrophobicContact CG1-CZ 3.52Å; V373-F562 HydrophobicContact CG2-CD1 4.37Å; V373-F562 HydrophobicContact CG2-CE1 3.34Å; V373-F562 HydrophobicContact CG2-CE2 4.1Å; V373-F562 HydrophobicContact CG2-CZ 3.21Å; F515-F562 HydrophobicContact CD2-CB 3.98Å; F515-F562 HydrophobicContact CE2-CD2 4.47Å; F515-F562 WeakPolarHBondContact O-CB 3.47Å; K516-F562 VanDerWaalsContact CA-CD1 3.45Å; K516-F562 VanDerWaalsContact CA-CG 3.46Å; K516-F562 HydrophobicContact CB-CD1 4.06Å; K516-F562 HydrophobicContact CB-CD2 3.87Å; K516-F562 HydrophobicContact CB-CE1 3.94Å; K516-F562 HydrophobicContact CB-CE2 3.77Å; K516-F562 HydrophobicContact CB-CG 3.95Å; K516-F562 HydrophobicContact CB-CZ 3.73Å; K516-F562 HydrophobicContact CD-CD2 4.03Å; K516-F562 HydrophobicContact CD-CE2 3.57Å; K516-F562 HydrophobicContact CD-CZ 4.1Å; K516-F562 HydrophobicContact CG-CB 4.5Å; K516-F562 HydrophobicContact CG-CD2 3.46Å; K516-F562 VanDerWaalsContact CG-CD2 3.46Å; K516-F562 HydrophobicContact CG-CE2 3.48Å; K516-F562 VanDerWaalsContact CG-CE2 3.48Å; K516-F562 HydrophobicContact CG-CG 3.97Å; K516-F562 HydrophobicContact CG-CZ 3.99Å; K516-F562 WeakPolarHBondContact O-CE1 3.34Å; T520-F562 HydrophobicContact CG2-CD1 4.31Å; T520-F562 HydrophobicContact CG2-CE1 3.88Å; F560-F562 VanDerWaalsContact C-N 3.25Å; F560-F562 PolarHBondContact O-N 3.32Å; F562-M564 PolarHBondContact O-N 3.22Å |
| 563 | V | 48.8 | Very low | 75.3 | Confident | 11 Ų | 11 | 24 Ų | 24 | 7% | 0.067 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -22.7 | 168.3 | -73.7 | 0 | 0 | 0 | 0 | 109.1 | T369 R372 F519 F560 | T369-V563 HydrophobicContact CG2-CG1 3.9Å; R372-V563 PolarHBondContact NH1-O 2.89Å; F519-V563 HydrophobicContact CB-CG1 4.03Å; F519-V563 HydrophobicContact CD2-CG1 4.14Å; F519-V563 HydrophobicContact CD2-CG2 3.94Å; F519-V563 HydrophobicContact CE2-CG2 4.46Å; F560-V563 HydrophobicContact CB-CG2 3.89Å; F560-V563 WeakPolarHBondContact O-CG2 3.24Å; F560-V563 PolarHBondContact O-N 2.92Å |
| 564 | M | 51.7 | Low | 75.8 | Confident | 5 Ų | 5 | 22.3 Ų | 22.3 | 3% | 0.025 | 10% | 0.104 | C | C | . | . | trans | -155.6 | 157 | -158.4 | -62.1 | -57.7 | -16.4 | 0 | 0 | 125.1 | V61 Q62 P63 F560 Q561 F562 | V61-M564 WeakPolarHBondContact CA-SD 3.39Å; V61-M564 HydrophobicContact CB-CE 4.16Å; V61-M564 HydrophobicContact CB-SD 3.17Å; V61-M564 WeakPolarHBondContact CB-SD 3.47Å; V61-M564 HydrophobicContact CG1-SD 3.57Å; V61-M564 VanDerWaalsContact CG1-SD 3.57Å; V61-M564 WeakPolarHBondContact O-CE 3.43Å; Q62-M564 VanDerWaalsContact C-SD 3.51Å; Q62-M564 VanDerWaalsContact CA-CE 3.44Å; Q62-M564 HydrophobicContact CB-CE 4.33Å; Q62-M564 HydrophobicContact CG-CE 4.5Å; Q62-M564 VanDerWaalsContact N-CE 3.26Å; Q62-M564 PolarHBondContact N-SD 2.87Å; Q62-M564 WeakPolarHBondContact O-CG 3.44Å; P63-M564 VanDerWaalsContact CA-CB 3.41Å; P63-M564 HydrophobicContact CB-CB 3.62Å; P63-M564 HydrophobicContact CB-CG 4.27Å; P63-M564 HydrophobicContact CG-CB 3.15Å; P63-M564 HydrophobicContact CG-CG 4.16Å; P63-M564 VanDerWaalsContact N-CG 3.31Å; F560-M564 VanDerWaalsContact O-CB 3.32Å; F560-M564 WeakPolarHBondContact O-CB 3.19Å; F560-M564 PolarHBondContact O-N 3Å; F560-M564 VanDerWaalsContact O-N 3.14Å; Q561-M564 CarbonylContact C-O 3.59Å; Q561-M564 VanDerWaalsContact C-O 3.28Å; Q561-M564 VanDerWaalsContact CA-O 3.26Å; Q561-M564 WeakPolarHBondContact CA-O 3.41Å; Q561-M564 CarbonylContact O-C 3.14Å; Q561-M564 PolarHBondContact O-N 2.86Å; F562-M564 PolarHBondContact O-N 3.22Å | ||
| 565 | H | 47.4 | Very low | 76.5 | Confident | 92 Ų | 92 | 22.1 Ų | 22.1 | 43% | 0.426 | 10% | 0.103 | S | C | . | . | S | Bend | trans | -67.4 | -45.7 | -168.5 | -62.8 | -70 | 0 | 0 | 0 | 118.2 | E60 Q62 | E60-H565 IonicContact OE1-CE1 2.7Å; E60-H565 IonicContact OE1-NE2 2.67Å; E60-H565 IonicContact OE2-CD2 2.92Å; E60-H565 IonicContact OE2-CE1 3.65Å; E60-H565 IonicContact OE2-NE2 3.18Å; E60-H565 PolarHBondContact OE2-NE2 3.33Å; Q62-H565 PolarHBondContact NE2-CD2 2.85Å; Q62-H565 VanDerWaalsContact NE2-CD2 3.34Å |
| 566 | L | 54.6 | Low | 77 | Confident | 45 Ų | 45 | 23.1 Ų | 23.1 | 24% | 0.236 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -102.4 | 89 | 179.8 | -176.7 | 70.2 | 0 | 0 | 0 | 115.8 | P63 L274 L568 | P63-L566 WeakPolarHBondContact CB-O 3.47Å; P63-L566 HydrophobicContact CG-CB 4.18Å; P63-L566 WeakPolarHBondContact CG-O 3.21Å; L274-L566 HydrophobicContact CD2-CD1 3.72Å; L566-L568 PolarHBondContact O-N 2.73Å |
| 567 | A | 70.3 | Confident | 77.3 | Confident | 3 Ų | 3 | 23.4 Ų | 23.4 | 3% | 0.025 | 11% | 0.108 | C | C | . | . | trans | -54.6 | 137 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | R273 D557 Q561 | R273-A567 VanDerWaalsContact CZ-O 3.26Å; R273-A567 PolarHBondContact NH1-O 3.31Å; R273-A567 PolarHBondContact NH2-O 3.11Å; D557-A567 WeakPolarHBondContact O-CB 3.23Å; Q561-A567 HydrophobicContact CB-CB 3.8Å; Q561-A567 HydrophobicContact CG-CB 3.95Å | ||
| 568 | L | 81.6 | Confident | 78.1 | Confident | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | B | Isolated β-bridge | trans | -89.1 | 171.9 | 177.2 | -58.3 | 177 | 0 | 0 | 0 | 111.6 | P63 L67 I282 L559 F560 L566 L573 | P63-L568 HydrophobicContact CB-CG 4.48Å; L67-L568 HydrophobicContact CB-CD1 4.14Å; L67-L568 HydrophobicContact CD2-CD1 3.47Å; L67-L568 VanDerWaalsContact CD2-CD1 3.47Å; L67-L568 HydrophobicContact CG-CD1 4.42Å; I282-L568 HydrophobicContact CG2-CD2 3.75Å; L559-L568 HydrophobicContact CB-CB 4.05Å; L559-L568 HydrophobicContact CD2-CB 3.96Å; L559-L568 HydrophobicContact CD2-CD1 4.48Å; L559-L568 HydrophobicContact CG-CB 4.34Å; L559-L568 PolarHBondContact O-N 3.39Å; F560-L568 HydrophobicContact CD2-CD1 4.44Å; L566-L568 PolarHBondContact O-N 2.73Å; L568-L573 HydrophobicContact CB-CD1 4.14Å; L568-L573 HydrophobicContact CD1-CD1 4.26Å |
| 569 | D | 91.6 | Very high | 79.1 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.086 | C | C | . | . | trans | -122.1 | 108.8 | 174.4 | 179.3 | -22.8 | 0 | 0 | 0 | 110.4 | R199 S202 I282 R556 G571 A572 L573 | R199-D569 WeakPolarHBondContact CD-OD2 3.37Å; R199-D569 IonicContact CZ-OD2 3.59Å; R199-D569 IonicContact NE-OD2 2.71Å; R199-D569 IonicContact NH1-OD2 3.41Å; R199-D569 PolarHBondContact NH1-OD2 3Å; S202-D569 WeakPolarHBondContact CB-OD2 3.34Å; S202-D569 VanDerWaalsContact OG-CG 3.29Å; S202-D569 PolarHBondContact OG-OD1 2.83Å; S202-D569 PolarHBondContact OG-OD2 3.46Å; I282-D569 HydrophobicContact CD1-CB 4.12Å; R556-D569 WeakPolarHBondContact O-CA 2.9Å; R556-D569 WeakPolarHBondContact O-CB 3.19Å; R556-D569 VanDerWaalsContact O-CG 3.26Å; D569-G571 VanDerWaalsContact C-N 3.34Å; D569-G571 PolarHBondContact O-N 3.12Å; D569-G571 WeakPolarHBondContact OD1-CA 3.41Å; D569-G571 PolarHBondContact OD1-N 3.12Å; D569-A572 HydrophobicContact CB-CB 3.83Å; D569-A572 VanDerWaalsContact CG-CB 3.48Å; D569-A572 PolarHBondContact O-N 2.84Å; D569-A572 PolarHBondContact OD1-N 3.03Å; D569-L573 WeakPolarHBondContact O-CB 3.08Å; D569-L573 VanDerWaalsContact O-CG 3.23Å; D569-L573 WeakPolarHBondContact O-CG 3.48Å; D569-L573 PolarHBondContact O-N 3.3Å | ||
| 570 | L | 92.8 | Very high | 80.1 | Confident | 26 Ų | 26 | 17.7 Ų | 17.7 | 14% | 0.136 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.7 | -36.5 | -177.1 | -171.4 | 55.8 | 0 | 0 | 0 | 112.9 | H489 M551 V555 L559 L573 N574 | H489-L570 HydrophobicContact CB-CD2 4.09Å; M551-L570 HydrophobicContact SD-CB 4.3Å; V555-L570 HydrophobicContact CB-CB 4.19Å; V555-L570 HydrophobicContact CB-CD2 3.98Å; V555-L570 HydrophobicContact CG1-CD2 4.42Å; V555-L570 HydrophobicContact CG2-CD2 4.36Å; V555-L570 VanDerWaalsContact O-CB 3.23Å; V555-L570 WeakPolarHBondContact O-CB 3.09Å; V555-L570 PolarHBondContact O-N 3.49Å; L559-L570 HydrophobicContact CD2-CB 4.08Å; L559-L570 HydrophobicContact CD2-CD1 4.17Å; L570-L573 PolarHBondContact O-N 3.09Å; L570-N574 PolarHBondContact O-N 3.43Å; L570-N574 PolarHBondContact O-ND2 3.23Å |
| 571 | G | 95.1 | Very high | 81.4 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -67 | -47.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | M551 D569 L573 N574 M575 | M551-G571 PolarHBondContact SD-N 3.05Å; D569-G571 VanDerWaalsContact C-N 3.34Å; D569-G571 PolarHBondContact O-N 3.12Å; D569-G571 WeakPolarHBondContact OD1-CA 3.41Å; D569-G571 PolarHBondContact OD1-N 3.12Å; G571-L573 VanDerWaalsContact C-N 3.32Å; G571-L573 PolarHBondContact O-N 2.93Å; G571-N574 PolarHBondContact O-N 2.95Å; G571-M575 WeakPolarHBondContact O-CE 3.39Å; G571-M575 PolarHBondContact O-N 2.91Å |
| 572 | A | 96.4 | Very high | 83.3 | Confident | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -60.3 | -42 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V198 I265 D569 N574 M575 Q576 | V198-A572 HydrophobicContact CB-CB 4.45Å; V198-A572 HydrophobicContact CG2-CB 4.09Å; I265-A572 HydrophobicContact CD1-CB 4.18Å; I265-A572 HydrophobicContact CG2-CB 4.47Å; D569-A572 HydrophobicContact CB-CB 3.83Å; D569-A572 VanDerWaalsContact CG-CB 3.48Å; D569-A572 PolarHBondContact O-N 2.84Å; D569-A572 PolarHBondContact OD1-N 3.03Å; A572-N574 PolarHBondContact O-N 3.46Å; A572-M575 PolarHBondContact O-N 3.45Å; A572-Q576 WeakPolarHBondContact O-CB 3.46Å; A572-Q576 PolarHBondContact O-N 2.94Å |
| 573 | L | 94.9 | Very high | 85.6 | Confident | 15 Ų | 15 | 12.4 Ų | 12.4 | 8% | 0.079 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63.3 | -38.7 | 175.6 | -75 | 168 | 0 | 0 | 0 | 112.7 | L67 I265 A284 L559 L568 D569 L570 G571 Q576 R577 | L67-L573 HydrophobicContact CD2-CD1 4.29Å; I265-L573 HydrophobicContact CD1-CD2 3.92Å; I265-L573 HydrophobicContact CD1-CG 4.29Å; A284-L573 HydrophobicContact CB-CD2 4.08Å; L559-L573 HydrophobicContact CD2-CD1 4.19Å; L568-L573 HydrophobicContact CB-CD1 4.14Å; L568-L573 HydrophobicContact CD1-CD1 4.26Å; D569-L573 WeakPolarHBondContact O-CB 3.08Å; D569-L573 VanDerWaalsContact O-CG 3.23Å; D569-L573 WeakPolarHBondContact O-CG 3.48Å; D569-L573 PolarHBondContact O-N 3.3Å; L570-L573 PolarHBondContact O-N 3.09Å; G571-L573 VanDerWaalsContact C-N 3.32Å; G571-L573 PolarHBondContact O-N 2.93Å; L573-Q576 PolarHBondContact O-N 3.5Å; L573-R577 WeakPolarHBondContact O-CB 3.15Å; L573-R577 PolarHBondContact O-N 3.23Å |
| 574 | N | 97.3 | Very high | 88 | Confident | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -64.4 | -43.2 | 177.3 | -69 | -33.5 | 0 | 0 | 0 | 112 | R486 H489 L570 G571 A572 R577 S578 W630 | R486-N574 WeakPolarHBondContact CD-OD1 3.16Å; R486-N574 PolarHBondContact NH1-OD1 3.12Å; H489-N574 PolarHBondContact ND1-ND2 3.5Å; L570-N574 PolarHBondContact O-N 3.43Å; L570-N574 PolarHBondContact O-ND2 3.23Å; G571-N574 PolarHBondContact O-N 2.95Å; A572-N574 PolarHBondContact O-N 3.46Å; N574-R577 PolarHBondContact O-N 2.83Å; N574-S578 PolarHBondContact O-N 3Å; N574-S578 PolarHBondContact O-OG 3.44Å; N574-W630 HydrophobicContact CB-CD2 3.73Å; N574-W630 HydrophobicContact CB-CE3 4.05Å; N574-W630 HydrophobicContact CB-CG 4Å; N574-W630 HydrophobicContact CB-CZ2 4.46Å |
| 575 | M | 98.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -68.4 | -44.7 | 176.6 | -66.9 | -179.8 | -78.4 | 0 | 0 | 111.3 | V198 V201 L206 G571 A572 R577 S578 R579 D628 W630 L631 | V198-M575 HydrophobicContact CB-CB 3.91Å; V198-M575 HydrophobicContact CB-CE 4.22Å; V198-M575 HydrophobicContact CG1-CB 3.52Å; V198-M575 WeakPolarHBondContact O-CE 3.25Å; V201-M575 HydrophobicContact CB-CE 3.97Å; V201-M575 HydrophobicContact CB-SD 3.98Å; V201-M575 HydrophobicContact CG1-CE 4.02Å; V201-M575 HydrophobicContact CG1-SD 3.66Å; L206-M575 HydrophobicContact CD1-CE 4.08Å; G571-M575 WeakPolarHBondContact O-CE 3.39Å; G571-M575 PolarHBondContact O-N 2.91Å; A572-M575 PolarHBondContact O-N 3.45Å; M575-R577 VanDerWaalsContact C-N 3.3Å; M575-R577 PolarHBondContact O-N 2.92Å; M575-S578 WeakPolarHBondContact O-CB 3.46Å; M575-S578 PolarHBondContact O-N 3.26Å; M575-S578 VanDerWaalsContact O-N 3.17Å; M575-R579 WeakPolarHBondContact O-CG 3.44Å; M575-R579 PolarHBondContact O-N 2.89Å; M575-R579 VanDerWaalsContact O-N 3.13Å; M575-D628 HydrophobicContact CB-CB 4.41Å; M575-D628 HydrophobicContact CG-CB 4.17Å; M575-W630 HydrophobicContact CG-CE3 4.01Å; M575-W630 HydrophobicContact CG-CZ3 4.45Å; M575-L631 HydrophobicContact SD-CB 4.31Å; M575-L631 HydrophobicContact SD-CD2 4.19Å |
| 576 | Q | 97 | Very high | 92.6 | Very high | 23 Ų | 23 | 7.8 Ų | 7.8 | 11% | 0.107 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -60.5 | -40.2 | 175.6 | -167.9 | 70.1 | -6.2 | 0 | 0 | 111.6 | V198 I263 I265 A572 L573 R579 D580 | V198-Q576 HydrophobicContact CG2-CB 4.26Å; I263-Q576 HydrophobicContact CD1-CG 4.29Å; I263-Q576 PolarHBondContact O-NE2 2.74Å; I265-Q576 HydrophobicContact CD1-CB 3.85Å; I265-Q576 HydrophobicContact CD1-CG 4.1Å; I265-Q576 HydrophobicContact CG1-CB 3.92Å; I265-Q576 HydrophobicContact CG1-CG 3.7Å; A572-Q576 WeakPolarHBondContact O-CB 3.46Å; A572-Q576 PolarHBondContact O-N 2.94Å; L573-Q576 PolarHBondContact O-N 3.5Å; Q576-R579 WeakPolarHBondContact O-CB 3.36Å; Q576-R579 PolarHBondContact O-N 3.35Å; Q576-D580 PolarHBondContact O-N 2.85Å |
| 577 | R | 96.6 | Very high | 94.7 | Very high | 15 Ų | 15 | 6 Ų | 6 | 6% | 0.057 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -66 | -38.2 | 176.4 | -167.9 | 65.6 | 53.6 | -169.8 | -5.9 | 112.2 | F239 F285 S287 T482 L573 N574 M575 R579 D580 H581 | F239-R577 VanDerWaalsContact CE1-CZ 3.48Å; F239-R577 VanDerWaalsContact CZ-NH2 3.34Å; F285-R577 VanDerWaalsContact O-CZ 3.23Å; F285-R577 PolarHBondContact O-NH1 2.78Å; F285-R577 PolarHBondContact O-NH2 3.48Å; S287-R577 VanDerWaalsContact OG-CD 3.31Å; S287-R577 WeakPolarHBondContact OG-CD 3.45Å; S287-R577 PolarHBondContact OG-NH1 2.69Å; T482-R577 HydrophobicContact CG2-CB 4.38Å; T482-R577 HydrophobicContact CG2-CG 3.84Å; L573-R577 WeakPolarHBondContact O-CB 3.15Å; L573-R577 PolarHBondContact O-N 3.23Å; N574-R577 PolarHBondContact O-N 2.83Å; M575-R577 VanDerWaalsContact C-N 3.3Å; M575-R577 PolarHBondContact O-N 2.92Å; R577-R579 VanDerWaalsContact C-N 3.25Å; R577-R579 PolarHBondContact O-N 3.28Å; R577-D580 IonicContact NH1-OD2 3.72Å; R577-D580 PolarHBondContact NH1-OD2 3.42Å; R577-D580 VanDerWaalsContact NH1-OD2 3.12Å; R577-D580 PolarHBondContact O-N 3.39Å; R577-H581 WeakPolarHBondContact CD-NE2 3.03Å; R577-H581 WeakPolarHBondContact O-CB 3.42Å; R577-H581 PolarHBondContact O-CD2 3.04Å; R577-H581 VanDerWaalsContact O-CD2 3.23Å; R577-H581 PolarHBondContact O-N 3.18Å |
| 578 | S | 97.6 | Very high | 96.1 | Very high | 3 Ų | 3 | 6.5 Ų | 6.5 | 2% | 0.021 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -59.9 | -39.2 | 174.5 | -62 | 0 | 0 | 0 | 0 | 111.4 | N574 M575 G582 L583 | N574-S578 PolarHBondContact O-N 3Å; N574-S578 PolarHBondContact O-OG 3.44Å; M575-S578 WeakPolarHBondContact O-CB 3.46Å; M575-S578 PolarHBondContact O-N 3.26Å; M575-S578 VanDerWaalsContact O-N 3.17Å; S578-G582 PolarHBondContact O-N 2.99Å; S578-L583 PolarHBondContact O-N 3.17Å |
| 579 | R | 97.4 | Very high | 96.9 | Very high | 13 Ų | 13 | 6.7 Ų | 6.7 | 5% | 0.049 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -71.6 | -40.3 | 175.3 | -63.9 | 178.1 | -169.7 | -175.2 | 5.2 | 112.9 | P181 K182 P196 M575 Q576 R577 H581 G582 D628 | P181-R579 WeakPolarHBondContact CA-O 3.38Å; K182-R579 HydrophobicContact CB-CB 3.88Å; K182-R579 HydrophobicContact CB-CG 3.97Å; K182-R579 PolarHBondContact N-O 2.93Å; K182-R579 WeakPolarHBondContact O-CD 3.41Å; P196-R579 PolarHBondContact O-NH1 2.96Å; P196-R579 PolarHBondContact O-NH2 3.37Å; M575-R579 WeakPolarHBondContact O-CG 3.44Å; M575-R579 PolarHBondContact O-N 2.89Å; M575-R579 VanDerWaalsContact O-N 3.13Å; Q576-R579 WeakPolarHBondContact O-CB 3.36Å; Q576-R579 PolarHBondContact O-N 3.35Å; R577-R579 VanDerWaalsContact C-N 3.25Å; R577-R579 PolarHBondContact O-N 3.28Å; R579-H581 VanDerWaalsContact C-N 3.28Å; R579-H581 PolarHBondContact O-N 2.8Å; R579-G582 PolarHBondContact O-N 2.88Å; R579-G582 VanDerWaalsContact O-N 3.14Å; R579-D628 WeakPolarHBondContact CG-OD1 3.38Å; R579-D628 IonicContact CZ-OD1 3.91Å; R579-D628 IonicContact CZ-OD2 2.87Å; R579-D628 IonicContact NE-OD1 2.81Å; R579-D628 PolarHBondContact NE-OD1 3.35Å; R579-D628 IonicContact NE-OD2 3.93Å; R579-D628 PolarHBondContact NE-OD2 3.04Å; R579-D628 IonicContact NH2-OD1 3.06Å; R579-D628 IonicContact NH2-OD2 3.42Å; R579-D628 PolarHBondContact NH2-OD2 2.76Å |
| 580 | D | 96.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 7.3 Ų | 7.3 | 1% | 0.005 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -60.4 | -36.2 | 173.2 | 175.5 | 39.6 | 0 | 0 | 0 | 112.7 | Y174 I263 R286 S287 Q309 Q576 R577 G582 | Y174-D580 WeakPolarHBondContact CE1-O 3.48Å; I263-D580 HydrophobicContact CD1-CB 3.86Å; R286-D580 IonicContact CZ-OD1 3Å; R286-D580 IonicContact NE-OD1 2.68Å; R286-D580 PolarHBondContact NE-OD1 2.81Å; R286-D580 IonicContact NH2-OD1 2.68Å; R286-D580 PolarHBondContact NH2-OD1 3.01Å; S287-D580 WeakPolarHBondContact CB-OD2 3.09Å; S287-D580 PolarHBondContact N-OD2 2.72Å; S287-D580 PolarHBondContact OG-OD2 3.25Å; Q309-D580 PolarHBondContact NE2-O 3.11Å; Q576-D580 PolarHBondContact O-N 2.85Å; R577-D580 IonicContact NH1-OD2 3.72Å; R577-D580 PolarHBondContact NH1-OD2 3.42Å; R577-D580 VanDerWaalsContact NH1-OD2 3.12Å; R577-D580 PolarHBondContact O-N 3.39Å; D580-G582 VanDerWaalsContact C-N 3.26Å; D580-G582 PolarHBondContact O-N 3.4Å |
| 581 | H | 97.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 2.4 | 178.4 | -74.9 | -141.4 | 0 | 0 | 0 | 113.2 | R168 S287 N478 T482 R577 R579 L583 | R168-H581 VanDerWaalsContact CZ-O 3.26Å; R168-H581 PolarHBondContact NH1-O 3.35Å; R168-H581 PolarHBondContact NH2-O 2.81Å; S287-H581 WeakPolarHBondContact CB-NE2 3.29Å; S287-H581 PolarHBondContact OG-NE2 3.18Å; N478-H581 WeakPolarHBondContact OD1-CB 3.33Å; N478-H581 PolarHBondContact OD1-ND1 3.1Å; T482-H581 HydrophobicContact CG2-CB 4.18Å; T482-H581 PolarHBondContact OG1-CE1 2.82Å; T482-H581 VanDerWaalsContact OG1-CE1 3.32Å; T482-H581 PolarHBondContact OG1-ND1 2.99Å; R577-H581 WeakPolarHBondContact CD-NE2 3.03Å; R577-H581 WeakPolarHBondContact O-CB 3.42Å; R577-H581 PolarHBondContact O-CD2 3.04Å; R577-H581 VanDerWaalsContact O-CD2 3.23Å; R577-H581 PolarHBondContact O-N 3.18Å; R579-H581 VanDerWaalsContact C-N 3.28Å; R579-H581 PolarHBondContact O-N 2.8Å; H581-L583 VanDerWaalsContact C-N 3.29Å; H581-L583 HydrophobicContact CB-CG 4.27Å; H581-L583 PolarHBondContact O-N 3.45Å |
| 582 | G | 96.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 39 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S172 E173 S578 R579 D580 | S172-G582 CarbonylContact C-O 3.55Å; S172-G582 WeakPolarHBondContact CA-O 3.46Å; S172-G582 WeakPolarHBondContact CB-O 3.17Å; E173-G582 PolarHBondContact N-O 2.62Å; E173-G582 VanDerWaalsContact O-CA 3.23Å; E173-G582 WeakPolarHBondContact O-CA 3.33Å; S578-G582 PolarHBondContact O-N 2.99Å; R579-G582 PolarHBondContact O-N 2.88Å; R579-G582 VanDerWaalsContact O-N 3.14Å; D580-G582 VanDerWaalsContact C-N 3.26Å; D580-G582 PolarHBondContact O-N 3.4Å |
| 583 | L | 98.1 | Very high | 97.8 | Very high | 7 Ų | 7 | 18.3 Ų | 18.3 | 4% | 0.037 | 8% | 0.084 | C | C | . | . | P | Polyproline II helix | trans | -69.6 | 136.8 | 177.4 | -64.1 | -176.6 | 0 | 0 | 0 | 110.8 | K182 N478 V479 T482 A483 S578 H581 V629 | K182-L583 PolarHBondContact NZ-O 3.04Å; N478-L583 HydrophobicContact CB-CD2 4.38Å; V479-L583 HydrophobicContact CB-CD2 4.36Å; T482-L583 HydrophobicContact CG2-CD1 3.92Å; A483-L583 HydrophobicContact CB-CD1 4.16Å; S578-L583 PolarHBondContact O-N 3.17Å; H581-L583 VanDerWaalsContact C-N 3.29Å; H581-L583 HydrophobicContact CB-CG 4.27Å; H581-L583 PolarHBondContact O-N 3.45Å; L583-V629 HydrophobicContact CB-CG1 4.08Å; L583-V629 HydrophobicContact CD1-CG1 3.65Å |
| 584 | P | 98 | Very high | 98 | Very high | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.019 | 12% | 0.116 | C | C | . | . | P | Polyproline II helix | trans | -57.7 | 155.4 | 166.2 | -27.3 | 36.8 | 0 | 0 | 0 | 112.2 | L170 P171 E173 A588 W589 | L170-P584 HydrophobicContact CB-CG 4Å; L170-P584 HydrophobicContact CD1-CB 4.42Å; L170-P584 HydrophobicContact CD1-CG 4.31Å; P171-P584 VanDerWaalsContact O-CG 3.29Å; P171-P584 WeakPolarHBondContact O-CG 3.35Å; E173-P584 HydrophobicContact CG-CG 4.42Å; P584-A588 HydrophobicContact CB-CB 3.6Å; P584-W589 HydrophobicContact CG-CZ2 4.35Å; P584-W589 VanDerWaalsContact O-CD1 3.32Å; P584-W589 PolarHBondContact O-NE1 2.94Å; P584-W589 VanDerWaalsContact O-NE1 3.08Å |
| 585 | G | 98.1 | Very high | 98.1 | Very high | 7 Ų | 7 | 23.1 Ų | 23.1 | 7% | 0.072 | 13% | 0.127 | C | C | . | . | P | Polyproline II helix | trans | -70.7 | 170.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | N587 A588 D625 | G585-N587 PolarHBondContact O-N 3.4Å; G585-A588 WeakPolarHBondContact O-CB 3.22Å; G585-A588 PolarHBondContact O-N 3Å; G585-A588 VanDerWaalsContact O-N 3.09Å; G585-D625 WeakPolarHBondContact CA-O 3.08Å |
| 586 | Y | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 0% | 0.004 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -49.1 | -49.2 | -172.5 | 171 | -114.5 | 0 | 0 | 0 | 114.5 | A588 W589 R590 P598 L604 V607 I627 E636 L647 | Y586-A588 VanDerWaalsContact C-N 3.3Å; Y586-A588 PolarHBondContact O-N 3.49Å; Y586-W589 PolarHBondContact O-N 3.47Å; Y586-W589 VanDerWaalsContact O-N 3.14Å; Y586-R590 HydrophobicContact CD1-CG 4.21Å; Y586-R590 HydrophobicContact CD2-CG 4.11Å; Y586-R590 HydrophobicContact CE1-CG 3.87Å; Y586-R590 HydrophobicContact CE2-CG 3.76Å; Y586-R590 HydrophobicContact CG-CG 4.34Å; Y586-R590 WeakPolarHBondContact O-CG 3.28Å; Y586-R590 PolarHBondContact O-N 3.45Å; Y586-P598 HydrophobicContact CE1-CG 4.23Å; Y586-L604 HydrophobicContact CE1-CD1 4.23Å; Y586-V607 WeakPolarHBondContact OH-CG1 3.3Å; Y586-I627 WeakPolarHBondContact CB-O 3.1Å; Y586-I627 PolarHBondContact N-O 2.73Å; Y586-E636 HydrophobicContact CE2-CG 4.4Å; Y586-E636 PolarHBondContact OH-OE1 2.82Å; Y586-L647 HydrophobicContact CD2-CD2 3.58Å; Y586-L647 HydrophobicContact CE2-CD2 3.57Å |
| 587 | N | 98.8 | Very high | 98.2 | Very high | 7 Ų | 7 | 29.5 Ų | 29.5 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.2 | -29.5 | -177.9 | -87.6 | -7 | 0 | 0 | 0 | 113.9 | G585 W589 R590 R591 Q597 P598 D625 | G585-N587 PolarHBondContact O-N 3.4Å; N587-W589 VanDerWaalsContact C-N 3.28Å; N587-W589 PolarHBondContact O-N 3.23Å; N587-R590 PolarHBondContact O-N 3.33Å; N587-R591 WeakPolarHBondContact O-CB 3.35Å; N587-R591 PolarHBondContact O-N 3.48Å; N587-Q597 HydrophobicContact CB-CB 4.38Å; N587-Q597 HydrophobicContact CB-CG 4.38Å; N587-P598 PolarHBondContact ND2-O 2.92Å; N587-P598 VanDerWaalsContact OD1-CD 3.22Å; N587-P598 WeakPolarHBondContact OD1-CD 3.49Å; N587-D625 WeakPolarHBondContact CB-OD1 3.39Å; N587-D625 PolarHBondContact ND2-OD1 3.2Å |
| 588 | A | 98.8 | Very high | 98.3 | Very high | 15 Ų | 15 | 28.9 Ų | 28.9 | 12% | 0.124 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.1 | -39.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | L170 P584 G585 Y586 F592 | L170-A588 HydrophobicContact CD1-CB 4.08Å; P584-A588 HydrophobicContact CB-CB 3.6Å; G585-A588 WeakPolarHBondContact O-CB 3.22Å; G585-A588 PolarHBondContact O-N 3Å; G585-A588 VanDerWaalsContact O-N 3.09Å; Y586-A588 VanDerWaalsContact C-N 3.3Å; Y586-A588 PolarHBondContact O-N 3.49Å; A588-F592 PolarHBondContact O-N 3.16Å |
| 589 | W | 98.9 | Very high | 98.3 | Very high | 5 Ų | 5 | 38.4 Ų | 38.4 | 2% | 0.019 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -78 | -35 | 177.6 | -65.5 | 106.4 | 0 | 0 | 0 | 113.2 | W169 L170 V479 P584 Y586 N587 R591 F592 C593 V629 L647 L651 | W169-W589 HydrophobicContact CB-CH2 4.28Å; W169-W589 HydrophobicContact CB-CZ3 4.06Å; W169-W589 HydrophobicContact CE3-CZ3 4.45Å; L170-W589 HydrophobicContact CB-CH2 3.86Å; L170-W589 HydrophobicContact CB-CZ2 4.15Å; L170-W589 HydrophobicContact CB-CZ3 4.27Å; L170-W589 HydrophobicContact CD1-CD2 3.74Å; L170-W589 HydrophobicContact CD1-CE3 3.65Å; L170-W589 HydrophobicContact CD1-CG 4.38Å; L170-W589 HydrophobicContact CD1-CH2 3.98Å; L170-W589 HydrophobicContact CD1-CZ2 4.07Å; L170-W589 HydrophobicContact CD1-CZ3 3.76Å; L170-W589 HydrophobicContact CG-CE3 4.16Å; L170-W589 HydrophobicContact CG-CH2 3.88Å; L170-W589 HydrophobicContact CG-CZ2 4.36Å; L170-W589 HydrophobicContact CG-CZ3 3.76Å; V479-W589 HydrophobicContact CB-CD2 4.49Å; V479-W589 HydrophobicContact CB-CE3 4.49Å; V479-W589 HydrophobicContact CB-CH2 3.54Å; V479-W589 HydrophobicContact CB-CZ2 3.51Å; V479-W589 HydrophobicContact CB-CZ3 4.06Å; V479-W589 HydrophobicContact CG1-CE3 4.26Å; V479-W589 HydrophobicContact CG1-CH2 3.54Å; V479-W589 HydrophobicContact CG1-CZ2 4.07Å; V479-W589 HydrophobicContact CG1-CZ3 3.66Å; V479-W589 HydrophobicContact CG2-CD2 3.8Å; V479-W589 HydrophobicContact CG2-CE3 4.12Å; V479-W589 HydrophobicContact CG2-CG 4.44Å; V479-W589 HydrophobicContact CG2-CH2 3.94Å; V479-W589 HydrophobicContact CG2-CZ2 3.59Å; V479-W589 HydrophobicContact CG2-CZ3 4.19Å; P584-W589 HydrophobicContact CG-CZ2 4.35Å; P584-W589 VanDerWaalsContact O-CD1 3.32Å; P584-W589 PolarHBondContact O-NE1 2.94Å; P584-W589 VanDerWaalsContact O-NE1 3.08Å; Y586-W589 PolarHBondContact O-N 3.47Å; Y586-W589 VanDerWaalsContact O-N 3.14Å; N587-W589 VanDerWaalsContact C-N 3.28Å; N587-W589 PolarHBondContact O-N 3.23Å; W589-R591 VanDerWaalsContact C-N 3.29Å; W589-R591 PolarHBondContact O-N 2.82Å; W589-F592 HydrophobicContact CE3-CB 4.27Å; W589-F592 HydrophobicContact CE3-CD1 4.28Å; W589-F592 HydrophobicContact CE3-CG 4.26Å; W589-F592 HydrophobicContact CZ3-CD1 4.5Å; W589-F592 HydrophobicContact CZ3-CG 4.43Å; W589-F592 WeakPolarHBondContact O-CB 3.48Å; W589-F592 PolarHBondContact O-N 2.03Å; W589-C593 PolarHBondContact O-N 3.18Å; W589-V629 HydrophobicContact CB-CG2 4.11Å; W589-V629 HydrophobicContact CG-CB 4.48Å; W589-V629 HydrophobicContact CG-CG2 3.76Å; W589-L647 HydrophobicContact CB-CD1 3.86Å; W589-L647 HydrophobicContact CB-CD2 4.3Å; W589-L647 WeakPolarHBondContact O-CD1 3.16Å; W589-L651 HydrophobicContact CE3-CD2 3.93Å; W589-L651 HydrophobicContact CZ3-CD2 4.33Å |
| 590 | R | 98.9 | Very high | 98.3 | Very high | 13 Ų | 13 | 41 Ų | 41 | 5% | 0.049 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -54.4 | -48.3 | 167.3 | -71.9 | -75.2 | -57.7 | -177.9 | 1.1 | 110.9 | Y586 N587 C593 G594 L595 S596 Q597 E636 | Y586-R590 HydrophobicContact CD1-CG 4.21Å; Y586-R590 HydrophobicContact CD2-CG 4.11Å; Y586-R590 HydrophobicContact CE1-CG 3.87Å; Y586-R590 HydrophobicContact CE2-CG 3.76Å; Y586-R590 HydrophobicContact CG-CG 4.34Å; Y586-R590 WeakPolarHBondContact O-CG 3.28Å; Y586-R590 PolarHBondContact O-N 3.45Å; N587-R590 PolarHBondContact O-N 3.33Å; R590-C593 CarbonylContact O-C 3.58Å; R590-C593 PolarHBondContact O-N 3.17Å; R590-G594 PolarHBondContact O-N 3.01Å; R590-L595 HydrophobicContact CB-CB 4.4Å; R590-L595 VanDerWaalsContact NH2-CB 3.29Å; R590-L595 WeakPolarHBondContact O-CA 3.48Å; R590-L595 WeakPolarHBondContact O-CB 3.44Å; R590-L595 PolarHBondContact O-N 3.4Å; R590-S596 PolarHBondContact NE-O 2.91Å; R590-S596 VanDerWaalsContact NH2-N 3.12Å; R590-S596 PolarHBondContact NH2-O 2.68Å; R590-S596 PolarHBondContact NH2-OG 3Å; R590-Q597 HydrophobicContact CB-CG 4.43Å; R590-E636 VanDerWaalsContact CD-OE1 3.27Å; R590-E636 WeakPolarHBondContact CD-OE1 3.35Å; R590-E636 IonicContact CZ-OE1 3.8Å; R590-E636 IonicContact NE-OE1 2.66Å; R590-E636 IonicContact NH1-OE1 3.59Å; R590-E636 PolarHBondContact NH1-OE1 3.36Å |
| 591 | R | 98.8 | Very high | 98.4 | Very high | 156 Ų | 156 | 45 Ų | 45 | 59% | 0.589 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -61.2 | -44.8 | 176.4 | -176.9 | 176.7 | 57.8 | 178.1 | -4.4 | 112.3 | N587 W589 C593 G594 Q597 | N587-R591 WeakPolarHBondContact O-CB 3.35Å; N587-R591 PolarHBondContact O-N 3.48Å; W589-R591 VanDerWaalsContact C-N 3.29Å; W589-R591 PolarHBondContact O-N 2.82Å; R591-C593 PolarHBondContact O-N 2.76Å; R591-G594 PolarHBondContact O-N 2.98Å; R591-Q597 HydrophobicContact CB-CG 3.99Å |
| 592 | F | 98.8 | Very high | 98.4 | Very high | 75 Ų | 75 | 48.5 Ų | 48.5 | 33% | 0.329 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -54.5 | -41.2 | 175.1 | 172.4 | -91.9 | 0 | 0 | 0 | 111.9 | W169 L170 A588 W589 G594 L651 | W169-F592 HydrophobicContact CB-CD2 4.5Å; W169-F592 HydrophobicContact CB-CE2 3.79Å; W169-F592 HydrophobicContact CB-CZ 3.97Å; W169-F592 HydrophobicContact CD2-CE1 4.47Å; W169-F592 AromaticContact CD2-CZ 3.94Å; W169-F592 HydrophobicContact CD2-CZ 3.94Å; W169-F592 AromaticContact CE3-CE1 3.67Å; W169-F592 HydrophobicContact CE3-CE1 3.67Å; W169-F592 AromaticContact CE3-CZ 3.58Å; W169-F592 HydrophobicContact CE3-CZ 3.58Å; W169-F592 HydrophobicContact CG-CE2 4.38Å; W169-F592 HydrophobicContact CG-CZ 4.14Å; W169-F592 HydrophobicContact CZ3-CE1 4.2Å; W169-F592 HydrophobicContact CZ3-CZ 4.39Å; L170-F592 HydrophobicContact CD1-CB 4.26Å; L170-F592 HydrophobicContact CD2-CB 4.5Å; L170-F592 HydrophobicContact CD2-CD2 4.2Å; L170-F592 HydrophobicContact CG-CD2 4.38Å; A588-F592 PolarHBondContact O-N 3.16Å; W589-F592 HydrophobicContact CE3-CB 4.27Å; W589-F592 HydrophobicContact CE3-CD1 4.28Å; W589-F592 HydrophobicContact CE3-CG 4.26Å; W589-F592 HydrophobicContact CZ3-CD1 4.5Å; W589-F592 HydrophobicContact CZ3-CG 4.43Å; W589-F592 WeakPolarHBondContact O-CB 3.48Å; W589-F592 PolarHBondContact O-N 2.03Å; F592-G594 VanDerWaalsContact C-N 3.26Å; F592-G594 PolarHBondContact O-N 3.17Å; F592-L651 HydrophobicContact CD1-CD2 3.88Å; F592-L651 HydrophobicContact CE1-CD2 3.92Å |
| 593 | C | 98.8 | Very high | 98.5 | Very high | 25 Ų | 25 | 51.7 Ų | 51.7 | 17% | 0.169 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 6.7 | 178.1 | -73.3 | 0 | 0 | 0 | 0 | 114.7 | W589 R590 R591 L595 L647 C650 | W589-C593 PolarHBondContact O-N 3.18Å; R590-C593 CarbonylContact O-C 3.58Å; R590-C593 PolarHBondContact O-N 3.17Å; R591-C593 PolarHBondContact O-N 2.76Å; C593-L595 HydrophobicContact CB-CD1 3.66Å; C593-L595 HydrophobicContact CB-CG 3.8Å; C593-L595 PolarHBondContact O-N 2.72Å; C593-L647 HydrophobicContact CB-CD1 4.35Å; C593-C650 VanDerWaalsContact CA-SG 3.58Å; C593-C650 HydrophobicContact CB-CB 3.71Å; C593-C650 WeakPolarHBondContact CB-SG 2.99Å; C593-C650 WeakPolarHBondContact SG-CB 3.33Å; C593-C650 CovalentContact SG-SG 2.04Å; C593-C650 PolarHBondContact SG-SG 3.35Å |
| 594 | G | 98.6 | Very high | 98.6 | Very high | 73 Ų | 73 | 51.4 Ų | 51.4 | 75% | 0.753 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 22.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R590 R591 F592 | R590-G594 PolarHBondContact O-N 3.01Å; R591-G594 PolarHBondContact O-N 2.98Å; F592-G594 VanDerWaalsContact C-N 3.26Å; F592-G594 PolarHBondContact O-N 3.17Å |
| 595 | L | 98.8 | Very high | 98.6 | Very high | 44 Ų | 44 | 52 Ų | 52 | 23% | 0.23 | 28% | 0.279 | C | S | . | . | trans | -98.3 | 159.7 | -177.5 | -52.9 | 167.4 | 0 | 0 | 0 | 111.1 | R590 C593 Q597 P646 L647 | R590-L595 HydrophobicContact CB-CB 4.4Å; R590-L595 VanDerWaalsContact NH2-CB 3.29Å; R590-L595 WeakPolarHBondContact O-CA 3.48Å; R590-L595 WeakPolarHBondContact O-CB 3.44Å; R590-L595 PolarHBondContact O-N 3.4Å; C593-L595 HydrophobicContact CB-CD1 3.66Å; C593-L595 HydrophobicContact CB-CG 3.8Å; C593-L595 PolarHBondContact O-N 2.72Å; L595-Q597 PolarHBondContact O-NE2 2.95Å; L595-P646 HydrophobicContact CD1-CB 4.17Å; L595-P646 HydrophobicContact CD2-CB 4.34Å; L595-L647 HydrophobicContact CD1-CB 4.26Å; L595-L647 HydrophobicContact CD1-CD1 4.47Å | ||
| 596 | S | 98.6 | Very high | 98.6 | Very high | 71 Ų | 71 | 59.1 Ų | 59.1 | 50% | 0.497 | 31% | 0.311 | S | S | . | . | trans | -59.9 | 142.1 | 177.7 | 60.5 | 0 | 0 | 0 | 0 | 112.1 | R590 P598 | R590-S596 PolarHBondContact NE-O 2.91Å; R590-S596 VanDerWaalsContact NH2-N 3.12Å; R590-S596 PolarHBondContact NH2-O 2.68Å; R590-S596 PolarHBondContact NH2-OG 3Å; S596-P598 VanDerWaalsContact O-CD 3.31Å; S596-P598 WeakPolarHBondContact O-CD 3.27Å | ||
| 597 | Q | 98.7 | Very high | 98.6 | Very high | 86 Ų | 86 | 60.1 Ų | 60.1 | 40% | 0.402 | 32% | 0.317 | S | S | . | . | trans | -107.2 | 92 | 178.6 | -65.8 | 128.6 | 73 | 0 | 0 | 109 | N587 R590 R591 L595 R599 | N587-Q597 HydrophobicContact CB-CB 4.38Å; N587-Q597 HydrophobicContact CB-CG 4.38Å; R590-Q597 HydrophobicContact CB-CG 4.43Å; R591-Q597 HydrophobicContact CB-CG 3.99Å; L595-Q597 PolarHBondContact O-NE2 2.95Å; Q597-R599 PolarHBondContact O-N 3.5Å | ||
| 598 | P | 98.7 | Very high | 98.6 | Very high | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.013 | 32% | 0.316 | C | S | . | . | trans | -59.7 | 135.9 | -178.8 | 24.5 | -35.9 | 0 | 0 | 0 | 111.2 | Y586 N587 S596 E603 L604 V607 P624 | Y586-P598 HydrophobicContact CE1-CG 4.23Å; N587-P598 PolarHBondContact ND2-O 2.92Å; N587-P598 VanDerWaalsContact OD1-CD 3.22Å; N587-P598 WeakPolarHBondContact OD1-CD 3.49Å; S596-P598 VanDerWaalsContact O-CD 3.31Å; S596-P598 WeakPolarHBondContact O-CD 3.27Å; P598-E603 WeakPolarHBondContact CA-OE2 3.43Å; P598-E603 HydrophobicContact CB-CB 3.74Å; P598-L604 HydrophobicContact CB-CB 4.03Å; P598-L604 HydrophobicContact CB-CD1 4.42Å; P598-L604 HydrophobicContact CG-CB 4.4Å; P598-L604 HydrophobicContact CG-CD1 3.86Å; P598-V607 HydrophobicContact CB-CG2 4.36Å; P598-V607 HydrophobicContact CG-CG2 4.2Å; P598-P624 HydrophobicContact CB-CG 4.41Å; P598-P624 HydrophobicContact CG-CB 4.12Å; P598-P624 HydrophobicContact CG-CG 4.4Å; P598-P624 WeakPolarHBondContact O-CB 3.48Å; P598-P624 VanDerWaalsContact O-CG 3.28Å; P598-P624 WeakPolarHBondContact O-CG 3.4Å | ||
| 599 | R | 97.8 | Very high | 98.6 | Very high | 203 Ų | 203 | 69 Ų | 69 | 77% | 0.766 | 35% | 0.347 | S | S | * | . | trans | -104 | -18.8 | -176.8 | -60.2 | 177.5 | -178.3 | -179.9 | 0.2 | 113.9 | Q597 E603 | Q597-R599 PolarHBondContact O-N 3.5Å; R599-E603 PolarHBondContact N-OE2 2.04Å | ||
| 600 | N | 97.8 | Very high | 98.6 | Very high | 68 Ų | 68 | 69.6 Ų | 69.6 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -148.3 | 178 | -173.5 | 58.1 | 59.6 | 0 | 0 | 0 | 110.8 | A602 E603 L604 | N600-A602 VanDerWaalsContact C-N 3.34Å; N600-A602 PolarHBondContact O-N 3.01Å; N600-A602 PolarHBondContact OD1-N 3.19Å; N600-A602 VanDerWaalsContact OD1-N 3.1Å; N600-E603 PolarHBondContact ND2-OE1 2.77Å; N600-E603 PolarHBondContact O-N 2.98Å; N600-E603 PolarHBondContact OD1-N 3.18Å; N600-L604 WeakPolarHBondContact O-CB 2.98Å; N600-L604 PolarHBondContact O-N 3.3Å |
| 601 | Q | 98.4 | Very high | 98.5 | Very high | 85 Ų | 85 | 72.7 Ų | 72.7 | 40% | 0.397 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.1 | -40.2 | -177.5 | -166.8 | -177.2 | -63.3 | 0 | 0 | 113.2 | L604 A605 R615 L618 | Q601-L604 PolarHBondContact O-N 2.68Å; Q601-A605 WeakPolarHBondContact O-CB 3.44Å; Q601-A605 PolarHBondContact O-N 3.22Å; Q601-R615 HydrophobicContact CG-CB 4.41Å; Q601-L618 HydrophobicContact CB-CD1 3.64Å; Q601-L618 HydrophobicContact CG-CD1 4.17Å; Q601-L618 VanDerWaalsContact N-CD1 3.35Å |
| 602 | A | 98.6 | Very high | 98.5 | Very high | 73 Ų | 73 | 68.3 Ų | 68.3 | 60% | 0.603 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -68 | -44.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | N600 A605 Q606 | N600-A602 VanDerWaalsContact C-N 3.34Å; N600-A602 PolarHBondContact O-N 3.01Å; N600-A602 PolarHBondContact OD1-N 3.19Å; N600-A602 VanDerWaalsContact OD1-N 3.1Å; A602-A605 WeakPolarHBondContact O-CB 3.18Å; A602-A605 PolarHBondContact O-N 3.34Å; A602-Q606 PolarHBondContact O-N 3.25Å |
| 603 | E | 98.8 | Very high | 98.5 | Very high | 67 Ų | 67 | 65 Ų | 65 | 31% | 0.313 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 175.9 | -68.8 | 171.9 | -147.7 | 0 | 0 | 111.8 | P598 R599 N600 A605 Q606 V607 | P598-E603 WeakPolarHBondContact CA-OE2 3.43Å; P598-E603 HydrophobicContact CB-CB 3.74Å; R599-E603 PolarHBondContact N-OE2 2.04Å; N600-E603 PolarHBondContact ND2-OE1 2.77Å; N600-E603 PolarHBondContact O-N 2.98Å; N600-E603 PolarHBondContact OD1-N 3.18Å; E603-A605 VanDerWaalsContact C-N 3.33Å; E603-A605 PolarHBondContact O-N 3.18Å; E603-Q606 WeakPolarHBondContact O-CB 3.41Å; E603-Q606 PolarHBondContact O-N 3.47Å; E603-V607 WeakPolarHBondContact O-CG2 2.99Å; E603-V607 PolarHBondContact O-N 3.26Å |
| 604 | L | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.1 | -41 | 175.6 | -177 | 62.9 | 0 | 0 | 0 | 110.9 | Y586 P598 N600 Q601 Q606 V607 L608 A614 L617 L618 P624 I627 | Y586-L604 HydrophobicContact CE1-CD1 4.23Å; P598-L604 HydrophobicContact CB-CB 4.03Å; P598-L604 HydrophobicContact CB-CD1 4.42Å; P598-L604 HydrophobicContact CG-CB 4.4Å; P598-L604 HydrophobicContact CG-CD1 3.86Å; N600-L604 WeakPolarHBondContact O-CB 2.98Å; N600-L604 PolarHBondContact O-N 3.3Å; Q601-L604 PolarHBondContact O-N 2.68Å; L604-Q606 VanDerWaalsContact C-N 3.26Å; L604-Q606 PolarHBondContact O-N 3.16Å; L604-V607 PolarHBondContact O-N 3.49Å; L604-L608 HydrophobicContact CD1-CD1 3.95Å; L604-L608 HydrophobicContact CD1-CD2 4.45Å; L604-L608 HydrophobicContact CD1-CG 3.94Å; L604-L608 HydrophobicContact CD2-CD1 4.33Å; L604-L608 HydrophobicContact CG-CD1 3.84Å; L604-L608 HydrophobicContact CG-CG 4.17Å; L604-L608 WeakPolarHBondContact O-CB 3.45Å; L604-L608 WeakPolarHBondContact O-CG 3.33Å; L604-L608 PolarHBondContact O-N 3.25Å; L604-A614 HydrophobicContact CB-CB 4.1Å; L604-A614 HydrophobicContact CD2-CB 4.04Å; L604-A614 HydrophobicContact CG-CB 3.85Å; L604-L617 HydrophobicContact CD2-CB 4.4Å; L604-L618 HydrophobicContact CD2-CD1 4.46Å; L604-L618 HydrophobicContact CD2-CD2 4.16Å; L604-L618 HydrophobicContact CD2-CG 4Å; L604-P624 HydrophobicContact CB-CG 4.39Å; L604-P624 HydrophobicContact CD2-CG 4.31Å; L604-I627 HydrophobicContact CD2-CD1 4.07Å |
| 605 | A | 98.7 | Very high | 98.5 | Very high | 16 Ų | 16 | 64.6 Ų | 64.6 | 13% | 0.132 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.4 | -37.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q601 A602 E603 R609 N610 P611 A614 | Q601-A605 WeakPolarHBondContact O-CB 3.44Å; Q601-A605 PolarHBondContact O-N 3.22Å; A602-A605 WeakPolarHBondContact O-CB 3.18Å; A602-A605 PolarHBondContact O-N 3.34Å; E603-A605 VanDerWaalsContact C-N 3.33Å; E603-A605 PolarHBondContact O-N 3.18Å; A605-R609 CarbonylContact O-C 3.46Å; A605-R609 WeakPolarHBondContact O-CA 3.26Å; A605-R609 PolarHBondContact O-N 3.1Å; A605-N610 PolarHBondContact O-N 3.04Å; A605-N610 VanDerWaalsContact O-N 3.16Å; A605-P611 HydrophobicContact CB-CB 3.96Å; A605-A614 HydrophobicContact CB-CB 3.87Å |
| 606 | Q | 98.6 | Very high | 98.4 | Very high | 156 Ų | 156 | 65 Ų | 65 | 73% | 0.729 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -66.6 | -44.5 | 175.4 | -172.3 | -177.4 | 11.9 | 0 | 0 | 111.9 | A602 E603 L604 R609 | A602-Q606 PolarHBondContact O-N 3.25Å; E603-Q606 WeakPolarHBondContact O-CB 3.41Å; E603-Q606 PolarHBondContact O-N 3.47Å; L604-Q606 VanDerWaalsContact C-N 3.26Å; L604-Q606 PolarHBondContact O-N 3.16Å; Q606-R609 PolarHBondContact O-N 3.08Å |
| 607 | V | 98.6 | Very high | 98.4 | Very high | 22 Ų | 22 | 61.6 Ų | 61.6 | 13% | 0.133 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.5 | -46.9 | 177.9 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | Y586 P598 E603 L604 R609 | Y586-V607 WeakPolarHBondContact OH-CG1 3.3Å; P598-V607 HydrophobicContact CB-CG2 4.36Å; P598-V607 HydrophobicContact CG-CG2 4.2Å; E603-V607 WeakPolarHBondContact O-CG2 2.99Å; E603-V607 PolarHBondContact O-N 3.26Å; L604-V607 PolarHBondContact O-N 3.49Å; V607-R609 VanDerWaalsContact C-N 3.29Å; V607-R609 PolarHBondContact O-N 2.78Å |
| 608 | L | 98.6 | Very high | 98.4 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -76.8 | -16.6 | -179.5 | -60.8 | -176.3 | 0 | 0 | 0 | 112.9 | Q547 L604 N610 L613 A614 L617 A635 E636 | Q547-L608 PolarHBondContact NE2-O 3.33Å; L604-L608 HydrophobicContact CD1-CD1 3.95Å; L604-L608 HydrophobicContact CD1-CD2 4.45Å; L604-L608 HydrophobicContact CD1-CG 3.94Å; L604-L608 HydrophobicContact CD2-CD1 4.33Å; L604-L608 HydrophobicContact CG-CD1 3.84Å; L604-L608 HydrophobicContact CG-CG 4.17Å; L604-L608 WeakPolarHBondContact O-CB 3.45Å; L604-L608 WeakPolarHBondContact O-CG 3.33Å; L604-L608 PolarHBondContact O-N 3.25Å; L608-N610 HydrophobicContact CB-CB 4.35Å; L608-N610 PolarHBondContact O-N 2.95Å; L608-L613 HydrophobicContact CD1-CD2 4.25Å; L608-L613 HydrophobicContact CD1-CG 4.11Å; L608-A614 HydrophobicContact CD1-CB 4.22Å; L608-L617 HydrophobicContact CD1-CD1 3.69Å; L608-A635 HydrophobicContact CD2-CB 4.1Å; L608-E636 HydrophobicContact CD2-CG 4.37Å |
| 609 | R | 98.4 | Very high | 98.4 | Very high | 206 Ų | 206 | 65.3 Ų | 65.3 | 78% | 0.777 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 30.8 | -166.3 | -55.9 | -178.5 | -177.9 | -178.4 | 0.1 | 112.6 | A605 Q606 V607 P637 | A605-R609 CarbonylContact O-C 3.46Å; A605-R609 WeakPolarHBondContact O-CA 3.26Å; A605-R609 PolarHBondContact O-N 3.1Å; Q606-R609 PolarHBondContact O-N 3.08Å; V607-R609 VanDerWaalsContact C-N 3.29Å; V607-R609 PolarHBondContact O-N 2.78Å; R609-P637 HydrophobicContact CG-CG 4.26Å |
| 610 | N | 98.4 | Very high | 98.4 | Very high | 18 Ų | 18 | 57 Ų | 57 | 10% | 0.096 | 29% | 0.288 | C | S | . | . | trans | -149.8 | 98.3 | -175.7 | -170.1 | -31.2 | 0 | 0 | 0 | 110.3 | Q547 A605 L608 T612 L613 A614 | Q547-N610 PolarHBondContact OE1-ND2 3.43Å; A605-N610 PolarHBondContact O-N 3.04Å; A605-N610 VanDerWaalsContact O-N 3.16Å; L608-N610 HydrophobicContact CB-CB 4.35Å; L608-N610 PolarHBondContact O-N 2.95Å; N610-T612 VanDerWaalsContact C-N 3.31Å; N610-T612 PolarHBondContact O-N 3.21Å; N610-T612 PolarHBondContact OD1-N 3.36Å; N610-L613 HydrophobicContact CB-CB 3.98Å; N610-L613 VanDerWaalsContact CG-CB 3.49Å; N610-L613 PolarHBondContact OD1-N 3.35Å; N610-A614 WeakPolarHBondContact O-CB 3.21Å; N610-A614 PolarHBondContact O-N 2.97Å | ||
| 611 | P | 98.2 | Very high | 98.4 | Very high | 78 Ų | 78 | 53.9 Ų | 53.9 | 51% | 0.506 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69.7 | -27.5 | -177.3 | 26.8 | -33 | 0 | 0 | 0 | 113.3 | A605 R615 | A605-P611 HydrophobicContact CB-CB 3.96Å; P611-R615 WeakPolarHBondContact O-CB 3.34Å; P611-R615 PolarHBondContact O-N 3.45Å; P611-R615 VanDerWaalsContact O-N 3.09Å |
| 612 | T | 98.1 | Very high | 98.4 | Very high | 63 Ų | 63 | 51 Ų | 51 | 39% | 0.387 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -72.8 | -47.9 | 177.5 | -67.6 | 0 | 0 | 0 | 0 | 110.9 | N610 A614 R615 N616 | N610-T612 VanDerWaalsContact C-N 3.31Å; N610-T612 PolarHBondContact O-N 3.21Å; N610-T612 PolarHBondContact OD1-N 3.36Å; T612-A614 VanDerWaalsContact C-N 3.33Å; T612-A614 PolarHBondContact O-N 2.77Å; T612-R615 WeakPolarHBondContact O-CB 3.35Å; T612-R615 PolarHBondContact O-N 2.89Å; T612-R615 PolarHBondContact OG1-NH2 3.48Å; T612-R615 VanDerWaalsContact OG1-NH2 3.13Å; T612-N616 VanDerWaalsContact O-CG 3.23Å; T612-N616 PolarHBondContact O-N 2.97Å; T612-N616 PolarHBondContact O-OD1 3.17Å |
| 613 | L | 98.3 | Very high | 98.4 | Very high | 7 Ų | 7 | 48.3 Ų | 48.3 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61 | -43.1 | 175.4 | -179.6 | 58.2 | 0 | 0 | 0 | 111.5 | I205 Q547 M550 L608 N610 R615 N616 L617 A635 | I205-L613 HydrophobicContact CD1-CD1 4.25Å; I205-L613 HydrophobicContact CG2-CD1 3.83Å; Q547-L613 HydrophobicContact CB-CD2 3.93Å; Q547-L613 HydrophobicContact CG-CD2 3.92Å; M550-L613 HydrophobicContact CE-CD2 4Å; L608-L613 HydrophobicContact CD1-CD2 4.25Å; L608-L613 HydrophobicContact CD1-CG 4.11Å; N610-L613 HydrophobicContact CB-CB 3.98Å; N610-L613 VanDerWaalsContact CG-CB 3.49Å; N610-L613 PolarHBondContact OD1-N 3.35Å; L613-R615 VanDerWaalsContact C-N 3.34Å; L613-R615 PolarHBondContact O-N 3.01Å; L613-N616 PolarHBondContact O-N 3.33Å; L613-L617 HydrophobicContact CD1-CD1 4.11Å; L613-L617 HydrophobicContact CD1-CG 4.1Å; L613-L617 HydrophobicContact CG-CD1 3.96Å; L613-L617 HydrophobicContact CG-CG 4.41Å; L613-L617 WeakPolarHBondContact O-CB 3.21Å; L613-L617 WeakPolarHBondContact O-CG 3.21Å; L613-L617 PolarHBondContact O-N 3.36Å; L613-A635 HydrophobicContact CD2-CB 4.08Å |
| 614 | A | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.7 | -43.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L604 A605 L608 N610 T612 L618 | L604-A614 HydrophobicContact CB-CB 4.1Å; L604-A614 HydrophobicContact CD2-CB 4.04Å; L604-A614 HydrophobicContact CG-CB 3.85Å; A605-A614 HydrophobicContact CB-CB 3.87Å; L608-A614 HydrophobicContact CD1-CB 4.22Å; N610-A614 WeakPolarHBondContact O-CB 3.21Å; N610-A614 PolarHBondContact O-N 2.97Å; T612-A614 VanDerWaalsContact C-N 3.33Å; T612-A614 PolarHBondContact O-N 2.77Å; A614-L618 WeakPolarHBondContact O-CG 3.45Å; A614-L618 PolarHBondContact O-N 2.81Å; A614-L618 VanDerWaalsContact O-N 3.08Å |
| 615 | R | 98.4 | Very high | 98.4 | Very high | 89 Ų | 89 | 48.3 Ų | 48.3 | 34% | 0.336 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.1 | -49.3 | 175.1 | -170.6 | -169.1 | -27.4 | 108.6 | 3.4 | 111.4 | Q601 P611 T612 L613 L617 L618 Q619 | Q601-R615 HydrophobicContact CG-CB 4.41Å; P611-R615 WeakPolarHBondContact O-CB 3.34Å; P611-R615 PolarHBondContact O-N 3.45Å; P611-R615 VanDerWaalsContact O-N 3.09Å; T612-R615 WeakPolarHBondContact O-CB 3.35Å; T612-R615 PolarHBondContact O-N 2.89Å; T612-R615 PolarHBondContact OG1-NH2 3.48Å; T612-R615 VanDerWaalsContact OG1-NH2 3.13Å; L613-R615 VanDerWaalsContact C-N 3.34Å; L613-R615 PolarHBondContact O-N 3.01Å; R615-L617 VanDerWaalsContact C-N 3.33Å; R615-L617 PolarHBondContact O-N 3.32Å; R615-L618 PolarHBondContact O-N 3.46Å; R615-Q619 WeakPolarHBondContact O-CG 3.29Å; R615-Q619 PolarHBondContact O-N 3.14Å |
| 616 | N | 98.1 | Very high | 98.3 | Very high | 51 Ų | 51 | 48.1 Ų | 48.1 | 27% | 0.273 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.2 | -40.2 | -177.8 | -64.8 | -4.3 | 0 | 0 | 0 | 111.6 | I205 T612 L613 Q619 L620 | I205-N616 HydrophobicContact CD1-CB 3.68Å; T612-N616 VanDerWaalsContact O-CG 3.23Å; T612-N616 PolarHBondContact O-N 2.97Å; T612-N616 PolarHBondContact O-OD1 3.17Å; L613-N616 PolarHBondContact O-N 3.33Å; N616-Q619 PolarHBondContact O-N 2.98Å; N616-L620 PolarHBondContact O-N 2.83Å |
| 617 | L | 98.4 | Very high | 98.4 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63 | -44.5 | 174.7 | -73.6 | 169.3 | 0 | 0 | 0 | 111.7 | I205 L604 L608 L613 R615 L620 Y621 I627 L631 | I205-L617 HydrophobicContact CD1-CD2 4.37Å; I205-L617 HydrophobicContact CG1-CD2 4.31Å; L604-L617 HydrophobicContact CD2-CB 4.4Å; L608-L617 HydrophobicContact CD1-CD1 3.69Å; L613-L617 HydrophobicContact CD1-CD1 4.11Å; L613-L617 HydrophobicContact CD1-CG 4.1Å; L613-L617 HydrophobicContact CG-CD1 3.96Å; L613-L617 HydrophobicContact CG-CG 4.41Å; L613-L617 WeakPolarHBondContact O-CB 3.21Å; L613-L617 WeakPolarHBondContact O-CG 3.21Å; L613-L617 PolarHBondContact O-N 3.36Å; R615-L617 VanDerWaalsContact C-N 3.33Å; R615-L617 PolarHBondContact O-N 3.32Å; L617-L620 PolarHBondContact O-N 3.17Å; L617-Y621 HydrophobicContact CD2-CE2 4.44Å; L617-Y621 WeakPolarHBondContact O-CB 3.39Å; L617-Y621 WeakPolarHBondContact O-CD2 3.47Å; L617-Y621 PolarHBondContact O-N 2.62Å; L617-I627 HydrophobicContact CB-CD1 4.25Å; L617-I627 HydrophobicContact CD1-CD1 4.36Å; L617-L631 HydrophobicContact CD2-CD2 3.6Å; L617-L631 HydrophobicContact CD2-CG 4.15Å |
| 618 | L | 98.3 | Very high | 98.4 | Very high | 25 Ų | 25 | 40.2 Ų | 40.2 | 13% | 0.131 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -72.5 | -28.6 | 179.3 | -69.1 | -174.2 | 0 | 0 | 0 | 113.9 | Q601 L604 A614 R615 L620 G622 P624 | Q601-L618 HydrophobicContact CB-CD1 3.64Å; Q601-L618 HydrophobicContact CG-CD1 4.17Å; Q601-L618 VanDerWaalsContact N-CD1 3.35Å; L604-L618 HydrophobicContact CD2-CD1 4.46Å; L604-L618 HydrophobicContact CD2-CD2 4.16Å; L604-L618 HydrophobicContact CD2-CG 4Å; A614-L618 WeakPolarHBondContact O-CG 3.45Å; A614-L618 PolarHBondContact O-N 2.81Å; A614-L618 VanDerWaalsContact O-N 3.08Å; R615-L618 PolarHBondContact O-N 3.46Å; L618-L620 PolarHBondContact O-N 2.91Å; L618-G622 VanDerWaalsContact O-CA 3.23Å; L618-G622 WeakPolarHBondContact O-CA 3.5Å; L618-G622 PolarHBondContact O-N 3.03Å; L618-P624 HydrophobicContact CD2-CG 3.88Å |
| 619 | Q | 98.1 | Very high | 98.4 | Very high | 140 Ų | 140 | 40.2 Ų | 40.2 | 65% | 0.654 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -61 | -31.9 | 169.8 | -76.2 | 175.3 | -9.5 | 0 | 0 | 112.1 | R615 N616 | R615-Q619 WeakPolarHBondContact O-CG 3.29Å; R615-Q619 PolarHBondContact O-N 3.14Å; N616-Q619 PolarHBondContact O-N 2.98Å |
| 620 | L | 97.9 | Very high | 98.4 | Very high | 30 Ų | 30 | 30.4 Ų | 30.4 | 16% | 0.157 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -89.2 | -43.6 | 179.4 | -66.6 | 168.9 | 0 | 0 | 0 | 113 | P196 Q200 V201 I205 N616 L617 L618 | P196-L620 HydrophobicContact CB-CB 4.26Å; P196-L620 WeakPolarHBondContact CB-O 3.43Å; P196-L620 HydrophobicContact CG-CB 4.39Å; Q200-L620 HydrophobicContact CG-CD2 4.15Å; V201-L620 HydrophobicContact CG2-CD1 4.26Å; I205-L620 HydrophobicContact CD1-CD1 4.1Å; I205-L620 HydrophobicContact CG1-CD1 3.87Å; N616-L620 PolarHBondContact O-N 2.83Å; L617-L620 PolarHBondContact O-N 3.17Å; L618-L620 PolarHBondContact O-N 2.91Å |
| 621 | Y | 98.4 | Very high | 98.4 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -100 | -15.7 | -171.2 | -76.7 | -85.3 | 0 | 0 | 0 | 114.6 | P196 V201 L617 T623 N626 I627 D628 L631 | P196-Y621 HydrophobicContact CG-CD1 3.63Å; P196-Y621 HydrophobicContact CG-CD2 4.05Å; P196-Y621 HydrophobicContact CG-CE1 3.49Å; P196-Y621 VanDerWaalsContact CG-CE1 3.49Å; P196-Y621 HydrophobicContact CG-CE2 3.9Å; P196-Y621 HydrophobicContact CG-CG 3.93Å; V201-Y621 HydrophobicContact CG1-CE2 4.03Å; V201-Y621 HydrophobicContact CG2-CE2 3.93Å; L617-Y621 HydrophobicContact CD2-CE2 4.44Å; L617-Y621 WeakPolarHBondContact O-CB 3.39Å; L617-Y621 WeakPolarHBondContact O-CD2 3.47Å; L617-Y621 PolarHBondContact O-N 2.62Å; Y621-T623 PolarHBondContact O-N 3.41Å; Y621-N626 HydrophobicContact CD1-CB 4.05Å; Y621-N626 WeakPolarHBondContact CD1-O 3.42Å; Y621-N626 VanDerWaalsContact CE1-O 3.26Å; Y621-N626 WeakPolarHBondContact CE1-O 3.23Å; Y621-N626 PolarHBondContact O-ND2 3.45Å; Y621-I627 HydrophobicContact CD1-CG1 4.46Å; Y621-I627 HydrophobicContact CD2-CG1 4.05Å; Y621-I627 HydrophobicContact CG-CG1 3.96Å; Y621-D628 WeakPolarHBondContact CE1-OD2 3.14Å; Y621-D628 PolarHBondContact OH-OD2 2.89Å; Y621-L631 HydrophobicContact CE2-CD2 3.65Å |
| 622 | G | 98.3 | Very high | 98.4 | Very high | 26 Ų | 26 | 26 Ų | 26 | 27% | 0.268 | 14% | 0.137 | S | C | . | . | S | Bend | trans | 74.6 | -44.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L618 | L618-G622 VanDerWaalsContact O-CA 3.23Å; L618-G622 WeakPolarHBondContact O-CA 3.5Å; L618-G622 PolarHBondContact O-N 3.03Å |
| 623 | T | 98.4 | Very high | 98.4 | Very high | 16 Ų | 16 | 23 Ų | 23 | 10% | 0.098 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -136.6 | 148.5 | 179.1 | 173.1 | 0 | 0 | 0 | 0 | 111.6 | N191 F193 Y621 D625 N626 | N191-T623 HydrophobicContact CB-CG2 3.74Å; F193-T623 HydrophobicContact CD2-CG2 3.91Å; F193-T623 HydrophobicContact CE2-CG2 4.2Å; Y621-T623 PolarHBondContact O-N 3.41Å; T623-D625 HydrophobicContact CG2-CB 4.09Å; T623-D625 PolarHBondContact O-N 3.37Å; T623-D625 PolarHBondContact OG1-N 3.13Å; T623-D625 PolarHBondContact OG1-OD2 3.17Å; T623-N626 HydrophobicContact CG2-CB 4.01Å; T623-N626 PolarHBondContact O-N 3.44Å; T623-N626 VanDerWaalsContact O-N 3.14Å |
| 624 | P | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -59 | -24.3 | 172.6 | -22.2 | 35.2 | 0 | 0 | 0 | 113.8 | P598 L604 L618 N626 I627 | P598-P624 HydrophobicContact CB-CG 4.41Å; P598-P624 HydrophobicContact CG-CB 4.12Å; P598-P624 HydrophobicContact CG-CG 4.4Å; P598-P624 WeakPolarHBondContact O-CB 3.48Å; P598-P624 VanDerWaalsContact O-CG 3.28Å; P598-P624 WeakPolarHBondContact O-CG 3.4Å; L604-P624 HydrophobicContact CB-CG 4.39Å; L604-P624 HydrophobicContact CD2-CG 4.31Å; L618-P624 HydrophobicContact CD2-CG 3.88Å; P624-N626 PolarHBondContact O-N 2.89Å; P624-I627 HydrophobicContact CB-CD1 4.34Å; P624-I627 PolarHBondContact O-N 3.26Å |
| 625 | D | 98.4 | Very high | 98.4 | Very high | 67 Ų | 67 | 23 Ų | 23 | 36% | 0.358 | 12% | 0.119 | S | C | . | . | G | 310 helix | trans | -64.2 | -24.4 | 177.4 | -61.8 | -45.5 | 0 | 0 | 0 | 113.2 | G585 N587 T623 | G585-D625 WeakPolarHBondContact CA-O 3.08Å; N587-D625 WeakPolarHBondContact CB-OD1 3.39Å; N587-D625 PolarHBondContact ND2-OD1 3.2Å; T623-D625 HydrophobicContact CG2-CB 4.09Å; T623-D625 PolarHBondContact O-N 3.37Å; T623-D625 PolarHBondContact OG1-N 3.13Å; T623-D625 PolarHBondContact OG1-OD2 3.17Å |
| 626 | N | 98.1 | Very high | 98.4 | Very high | 11 Ų | 11 | 19 Ų | 19 | 6% | 0.059 | 10% | 0.104 | C | C | . | . | G | 310 helix | trans | -91.8 | -11.5 | -178.3 | -76.6 | -10.7 | 0 | 0 | 0 | 113.5 | F190 N191 L195 Y621 T623 P624 D628 | F190-N626 PolarHBondContact O-ND2 3.18Å; N191-N626 PolarHBondContact ND2-OD1 3.03Å; L195-N626 HydrophobicContact CD2-CB 4Å; Y621-N626 HydrophobicContact CD1-CB 4.05Å; Y621-N626 WeakPolarHBondContact CD1-O 3.42Å; Y621-N626 VanDerWaalsContact CE1-O 3.26Å; Y621-N626 WeakPolarHBondContact CE1-O 3.23Å; Y621-N626 PolarHBondContact O-ND2 3.45Å; T623-N626 HydrophobicContact CG2-CB 4.01Å; T623-N626 PolarHBondContact O-N 3.44Å; T623-N626 VanDerWaalsContact O-N 3.14Å; P624-N626 PolarHBondContact O-N 2.89Å; N626-D628 PolarHBondContact O-N 2.81Å |
| 627 | I | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -62.2 | 125.1 | -177.6 | -62.5 | 172.8 | 0 | 0 | 0 | 108.7 | Y586 L604 L617 Y621 P624 V629 L631 | Y586-I627 WeakPolarHBondContact CB-O 3.1Å; Y586-I627 PolarHBondContact N-O 2.73Å; L604-I627 HydrophobicContact CD2-CD1 4.07Å; L617-I627 HydrophobicContact CB-CD1 4.25Å; L617-I627 HydrophobicContact CD1-CD1 4.36Å; Y621-I627 HydrophobicContact CD1-CG1 4.46Å; Y621-I627 HydrophobicContact CD2-CG1 4.05Å; Y621-I627 HydrophobicContact CG-CG1 3.96Å; P624-I627 HydrophobicContact CB-CD1 4.34Å; P624-I627 PolarHBondContact O-N 3.26Å; I627-V629 PolarHBondContact O-N 3.31Å; I627-L631 HydrophobicContact CG2-CB 4.4Å; I627-L631 HydrophobicContact CG2-CD2 4.39Å; I627-L631 HydrophobicContact CG2-CG 4.48Å |
| 628 | D | 98.8 | Very high | 98.4 | Very high | 12 Ų | 12 | 21.4 Ų | 21.4 | 6% | 0.064 | 12% | 0.116 | C | C | . | . | trans | -57.8 | 128.5 | 176.1 | -65.6 | -71.4 | 0 | 0 | 0 | 109 | M575 R579 Y621 N626 W630 L631 G632 | M575-D628 HydrophobicContact CB-CB 4.41Å; M575-D628 HydrophobicContact CG-CB 4.17Å; R579-D628 WeakPolarHBondContact CG-OD1 3.38Å; R579-D628 IonicContact CZ-OD1 3.91Å; R579-D628 IonicContact CZ-OD2 2.87Å; R579-D628 IonicContact NE-OD1 2.81Å; R579-D628 PolarHBondContact NE-OD1 3.35Å; R579-D628 IonicContact NE-OD2 3.93Å; R579-D628 PolarHBondContact NE-OD2 3.04Å; R579-D628 IonicContact NH2-OD1 3.06Å; R579-D628 IonicContact NH2-OD2 3.42Å; R579-D628 PolarHBondContact NH2-OD2 2.76Å; Y621-D628 WeakPolarHBondContact CE1-OD2 3.14Å; Y621-D628 PolarHBondContact OH-OD2 2.89Å; N626-D628 PolarHBondContact O-N 2.81Å; D628-W630 PolarHBondContact O-N 3.31Å; D628-W630 VanDerWaalsContact O-N 3.1Å; D628-L631 WeakPolarHBondContact O-CB 3.25Å; D628-L631 PolarHBondContact O-N 2.94Å; D628-G632 PolarHBondContact O-N 3.49Å | ||
| 629 | V | 98.6 | Very high | 98.4 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.012 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -56.8 | -33.5 | -169.7 | 58.6 | 0 | 0 | 0 | 0 | 113.6 | V479 A483 L583 W589 I627 G633 L647 | V479-V629 HydrophobicContact CG2-CG1 4.4Å; V479-V629 HydrophobicContact CG2-CG2 4.25Å; A483-V629 HydrophobicContact CB-CG1 3.7Å; L583-V629 HydrophobicContact CB-CG1 4.08Å; L583-V629 HydrophobicContact CD1-CG1 3.65Å; W589-V629 HydrophobicContact CB-CG2 4.11Å; W589-V629 HydrophobicContact CG-CB 4.48Å; W589-V629 HydrophobicContact CG-CG2 3.76Å; I627-V629 PolarHBondContact O-N 3.31Å; V629-G633 PolarHBondContact O-N 2.7Å; V629-L647 HydrophobicContact CG2-CD2 4.39Å |
| 630 | W | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.1 | -52.1 | 174.1 | 177.8 | 80.7 | 0 | 0 | 0 | 111.1 | L206 A483 R486 L490 M551 N574 M575 D628 G633 V634 | L206-W630 HydrophobicContact CD1-CH2 3.87Å; L206-W630 HydrophobicContact CD1-CZ3 3.74Å; L206-W630 HydrophobicContact CD2-CH2 4.13Å; L206-W630 HydrophobicContact CD2-CZ3 4.11Å; A483-W630 HydrophobicContact CB-CB 3.99Å; R486-W630 PolarHBondContact O-NE1 2.86Å; L490-W630 HydrophobicContact CD1-CZ2 4.37Å; L490-W630 HydrophobicContact CG-CZ2 4.49Å; M551-W630 HydrophobicContact CE-CH2 3.64Å; M551-W630 HydrophobicContact CE-CZ2 3.74Å; N574-W630 HydrophobicContact CB-CD2 3.73Å; N574-W630 HydrophobicContact CB-CE3 4.05Å; N574-W630 HydrophobicContact CB-CG 4Å; N574-W630 HydrophobicContact CB-CZ2 4.46Å; M575-W630 HydrophobicContact CG-CE3 4.01Å; M575-W630 HydrophobicContact CG-CZ3 4.45Å; D628-W630 PolarHBondContact O-N 3.31Å; D628-W630 VanDerWaalsContact O-N 3.1Å; W630-G633 PolarHBondContact O-N 3.28Å; W630-V634 WeakPolarHBondContact O-CG1 3.21Å; W630-V634 WeakPolarHBondContact O-CG2 3.44Å; W630-V634 PolarHBondContact O-N 3.04Å; W630-V634 VanDerWaalsContact O-N 3.16Å |
| 631 | L | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.8 | -44.7 | -179.7 | -179.7 | 67.1 | 0 | 0 | 0 | 111.8 | V201 I205 L206 M575 L617 Y621 I627 D628 G633 V634 A635 | V201-L631 HydrophobicContact CG1-CD2 3.41Å; V201-L631 VanDerWaalsContact CG1-CD2 3.41Å; I205-L631 HydrophobicContact CG2-CD1 4.11Å; L206-L631 HydrophobicContact CD2-CD1 3.75Å; M575-L631 HydrophobicContact SD-CB 4.31Å; M575-L631 HydrophobicContact SD-CD2 4.19Å; L617-L631 HydrophobicContact CD2-CD2 3.6Å; L617-L631 HydrophobicContact CD2-CG 4.15Å; Y621-L631 HydrophobicContact CE2-CD2 3.65Å; I627-L631 HydrophobicContact CG2-CB 4.4Å; I627-L631 HydrophobicContact CG2-CD2 4.39Å; I627-L631 HydrophobicContact CG2-CG 4.48Å; D628-L631 WeakPolarHBondContact O-CB 3.25Å; D628-L631 PolarHBondContact O-N 2.94Å; L631-G633 VanDerWaalsContact C-N 3.35Å; L631-G633 PolarHBondContact O-N 3.41Å; L631-V634 WeakPolarHBondContact O-CG2 3.44Å; L631-V634 PolarHBondContact O-N 2.54Å; L631-A635 WeakPolarHBondContact O-CB 3.46Å; L631-A635 PolarHBondContact O-N 3.06Å |
| 632 | G | 98.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.5 | -43.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D628 A635 | D628-G632 PolarHBondContact O-N 3.49Å; G632-A635 PolarHBondContact O-N 2.97Å |
| 633 | G | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -70.9 | -36.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | V629 W630 L631 A635 | V629-G633 PolarHBondContact O-N 2.7Å; W630-G633 PolarHBondContact O-N 3.28Å; L631-G633 VanDerWaalsContact C-N 3.35Å; L631-G633 PolarHBondContact O-N 3.41Å; G633-A635 VanDerWaalsContact C-N 3.33Å |
| 634 | V | 97.9 | Very high | 98 | Very high | 9 Ų | 9 | 19.4 Ų | 19.4 | 6% | 0.055 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -77.8 | -18.8 | 176.1 | -59.6 | 0 | 0 | 0 | 0 | 113.9 | F487 L490 N545 W630 L631 F648 | F487-V634 HydrophobicContact CB-CG1 4.42Å; L490-V634 HydrophobicContact CD1-CB 3.26Å; L490-V634 HydrophobicContact CD1-CG1 3.45Å; L490-V634 VanDerWaalsContact CD1-CG1 3.45Å; L490-V634 HydrophobicContact CD1-CG2 3.6Å; N545-V634 PolarHBondContact ND2-O 2.98Å; W630-V634 WeakPolarHBondContact O-CG1 3.21Å; W630-V634 WeakPolarHBondContact O-CG2 3.44Å; W630-V634 PolarHBondContact O-N 3.04Å; W630-V634 VanDerWaalsContact O-N 3.16Å; L631-V634 WeakPolarHBondContact O-CG2 3.44Å; L631-V634 PolarHBondContact O-N 2.54Å; V634-F648 HydrophobicContact CG1-CD2 4.36Å; V634-F648 HydrophobicContact CG1-CE2 3.56Å; V634-F648 HydrophobicContact CG1-CZ 4.35Å |
| 635 | A | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -78.1 | -19.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q547 M550 L608 L613 L631 G632 G633 | Q547-A635 PolarHBondContact NE2-O 2.92Å; M550-A635 HydrophobicContact CE-CB 4.21Å; L608-A635 HydrophobicContact CD2-CB 4.1Å; L613-A635 HydrophobicContact CD2-CB 4.08Å; L631-A635 WeakPolarHBondContact O-CB 3.46Å; L631-A635 PolarHBondContact O-N 3.06Å; G632-A635 PolarHBondContact O-N 2.97Å; G633-A635 VanDerWaalsContact C-N 3.33Å |
| 636 | E | 98.6 | Very high | 98 | Very high | 5 Ų | 5 | 18.5 Ų | 18.5 | 2% | 0.023 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -67.4 | 142.9 | 177.5 | -73.2 | -173.3 | 164.7 | 0 | 0 | 111.7 | Y586 R590 L608 P646 L647 | Y586-E636 HydrophobicContact CE2-CG 4.4Å; Y586-E636 PolarHBondContact OH-OE1 2.82Å; R590-E636 VanDerWaalsContact CD-OE1 3.27Å; R590-E636 WeakPolarHBondContact CD-OE1 3.35Å; R590-E636 IonicContact CZ-OE1 3.8Å; R590-E636 IonicContact NE-OE1 2.66Å; R590-E636 IonicContact NH1-OE1 3.59Å; R590-E636 PolarHBondContact NH1-OE1 3.36Å; L608-E636 HydrophobicContact CD2-CG 4.37Å; E636-P646 WeakPolarHBondContact OE2-CD 3.4Å; E636-L647 VanDerWaalsContact OE2-CB 3.3Å; E636-L647 WeakPolarHBondContact OE2-CB 3.47Å; E636-L647 PolarHBondContact OE2-N 2.96Å |
| 637 | P | 98.1 | Very high | 98.1 | Very high | 34 Ų | 34 | 18 Ų | 18 | 22% | 0.221 | 11% | 0.111 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 146.6 | 173.7 | 29.1 | -35.1 | 0 | 0 | 0 | 110.4 | R609 G645 P646 | R609-P637 HydrophobicContact CG-CG 4.26Å; P637-G645 VanDerWaalsContact O-CA 3.27Å; P637-G645 WeakPolarHBondContact O-CA 3.38Å; P637-P646 WeakPolarHBondContact O-CD 3.48Å |
| 638 | F | 98.2 | Very high | 98.1 | Very high | 67 Ų | 67 | 18 Ų | 18 | 29% | 0.294 | 11% | 0.111 | S | C | . | . | P | Polyproline II helix | trans | -59.1 | 143.6 | -179.1 | -61.5 | -34.8 | 0 | 0 | 0 | 113 | L544 N545 R643 V644 | L544-F638 HydrophobicContact CD1-CD2 4.48Å; L544-F638 HydrophobicContact CD1-CE2 3.71Å; L544-F638 HydrophobicContact CG-CE2 4.31Å; N545-F638 HydrophobicContact CB-CE1 4.28Å; N545-F638 HydrophobicContact CB-CZ 3.69Å; F638-R643 WeakPolarHBondContact CE1-O 3.33Å; F638-V644 WeakPolarHBondContact CA-O 3.34Å |
| 639 | V | 98.3 | Very high | 98.1 | Very high | 27 Ų | 27 | 17.8 Ų | 17.8 | 16% | 0.164 | 11% | 0.111 | C | C | . | . | P | Polyproline II helix | trans | -65.7 | 150.7 | 164 | -59.5 | 0 | 0 | 0 | 0 | 109.9 | V453 G641 G642 V644 P646 A649 | V453-V639 WeakPolarHBondContact O-CG2 3.46Å; V639-G641 PolarHBondContact O-N 3.33Å; V639-G642 PolarHBondContact O-N 3.36Å; V639-V644 PolarHBondContact N-O 3Å; V639-P646 HydrophobicContact CG1-CB 4.43Å; V639-P646 HydrophobicContact CG1-CG 4Å; V639-A649 HydrophobicContact CG1-CB 4.19Å; V639-A649 HydrophobicContact CG2-CB 4.47Å |
| 640 | P | 96.8 | Very high | 98.1 | Very high | 102 Ų | 102 | 19 Ų | 19 | 66% | 0.662 | 12% | 0.119 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 128.4 | 178.1 | -26.8 | 35.3 | 0 | 0 | 0 | 112 | P455 G642 | P455-P640 VanDerWaalsContact CD-O 3.32Å; P455-P640 WeakPolarHBondContact CD-O 3.36Å; P640-G642 PolarHBondContact O-N 2.91Å; P640-G642 VanDerWaalsContact O-N 3.16Å |
| 641 | G | 94.1 | Very high | 98.1 | Very high | 33 Ų | 33 | 19 Ų | 19 | 34% | 0.34 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72 | -6.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y219 V639 | Y219-G641 PolarHBondContact OH-O 3.44Å; V639-G641 PolarHBondContact O-N 3.33Å |
| 642 | G | 97 | Very high | 98.1 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | trans | -96.9 | 179.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | H451 I452 V639 P640 | H451-G642 CarbonylContact O-C 3.22Å; H451-G642 WeakPolarHBondContact O-CA 3.47Å; I452-G642 CarbonylContact O-C 3.51Å; I452-G642 VanDerWaalsContact O-CA 3.23Å; I452-G642 WeakPolarHBondContact O-CA 3.5Å; V639-G642 PolarHBondContact O-N 3.36Å; P640-G642 PolarHBondContact O-N 2.91Å; P640-G642 VanDerWaalsContact O-N 3.16Å | ||
| 643 | R | 97.4 | Very high | 98.1 | Very high | 31 Ų | 31 | 18.9 Ų | 18.9 | 12% | 0.117 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -127.4 | 22 | 173.7 | -66.3 | -59.4 | -178.4 | -87.6 | -1.8 | 113.5 | D216 E218 Y219 H451 I452 F638 | D216-R643 IonicContact OD1-CZ 2.78Å; D216-R643 IonicContact OD1-NE 3.01Å; D216-R643 IonicContact OD1-NH2 3.37Å; D216-R643 PolarHBondContact OD1-NH2 3.36Å; D216-R643 IonicContact OD2-CZ 3.48Å; D216-R643 IonicContact OD2-NE 3.51Å; D216-R643 PolarHBondContact OD2-NE 2.89Å; D216-R643 IonicContact OD2-NH2 3.39Å; D216-R643 PolarHBondContact OD2-NH2 3.33Å; E218-R643 IonicContact OE2-CZ 3.42Å; E218-R643 IonicContact OE2-NH1 2.8Å; E218-R643 PolarHBondContact OE2-NH1 3.28Å; E218-R643 IonicContact OE2-NH2 3.92Å; E218-R643 PolarHBondContact OE2-NH2 2.78Å; Y219-R643 HydrophobicContact CD2-CG 3.66Å; Y219-R643 VanDerWaalsContact CD2-NH2 3.28Å; Y219-R643 HydrophobicContact CE2-CG 3.7Å; Y219-R643 VanDerWaalsContact CE2-NH1 3.26Å; Y219-R643 VanDerWaalsContact CE2-NH2 3.33Å; H451-R643 PolarHBondContact O-N 3.45Å; H451-R643 VanDerWaalsContact O-N 3.15Å; I452-R643 PolarHBondContact O-N 3.45Å; F638-R643 WeakPolarHBondContact CE1-O 3.33Å |
| 644 | V | 98.5 | Very high | 98.2 | Very high | 3 Ų | 3 | 19.8 Ų | 19.8 | 2% | 0.018 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -136.9 | 157.6 | 168.6 | -62.1 | 0 | 0 | 0 | 0 | 110.8 | I452 F487 F638 V639 F648 A649 I652 | I452-V644 HydrophobicContact CG2-CG1 4.04Å; I452-V644 HydrophobicContact CG2-CG2 4.35Å; I452-V644 WeakPolarHBondContact O-CG2 3.23Å; I452-V644 PolarHBondContact O-N 3.37Å; F487-V644 HydrophobicContact CB-CG1 3.85Å; F487-V644 HydrophobicContact CD1-CG1 3.86Å; F487-V644 HydrophobicContact CD2-CG1 3.41Å; F487-V644 VanDerWaalsContact CD2-CG1 3.41Å; F487-V644 HydrophobicContact CE1-CG1 4.3Å; F487-V644 HydrophobicContact CE2-CG1 3.91Å; F487-V644 HydrophobicContact CG-CG1 3.39Å; F487-V644 HydrophobicContact CZ-CG1 4.34Å; F638-V644 WeakPolarHBondContact CA-O 3.34Å; V639-V644 PolarHBondContact N-O 3Å; V644-F648 HydrophobicContact CB-CB 3.73Å; V644-F648 HydrophobicContact CG1-CB 4.18Å; V644-F648 HydrophobicContact CG2-CB 4.06Å; V644-A649 HydrophobicContact CG2-CB 3.95Å; V644-I652 HydrophobicContact CG1-CD1 4.04Å; V644-I652 HydrophobicContact CG2-CD1 4.42Å |
| 645 | G | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | trans | -74 | 169.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | P637 L647 F648 A649 | P637-G645 VanDerWaalsContact O-CA 3.27Å; P637-G645 WeakPolarHBondContact O-CA 3.38Å; G645-L647 VanDerWaalsContact C-N 3.27Å; G645-L647 PolarHBondContact O-N 3.28Å; G645-F648 PolarHBondContact O-N 3.18Å; G645-A649 WeakPolarHBondContact O-CB 3.42Å; G645-A649 PolarHBondContact O-N 2.04Å | ||
| 646 | P | 98.8 | Very high | 98.2 | Very high | 48 Ų | 48 | 19.3 Ų | 19.3 | 31% | 0.312 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -48.6 | -40.9 | -178.6 | -29.9 | 34.2 | 0 | 0 | 0 | 115.5 | L595 E636 P637 V639 C650 | L595-P646 HydrophobicContact CD1-CB 4.17Å; L595-P646 HydrophobicContact CD2-CB 4.34Å; E636-P646 WeakPolarHBondContact OE2-CD 3.4Å; P637-P646 WeakPolarHBondContact O-CD 3.48Å; V639-P646 HydrophobicContact CG1-CB 4.43Å; V639-P646 HydrophobicContact CG1-CG 4Å; P646-C650 PolarHBondContact O-N 3.37Å; P646-C650 VanDerWaalsContact O-N 3.07Å |
| 647 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.4 | -51.4 | 180 | 175.9 | 58.6 | 0 | 0 | 0 | 111.3 | Y586 W589 C593 L595 V629 E636 G645 C650 L651 | Y586-L647 HydrophobicContact CD2-CD2 3.58Å; Y586-L647 HydrophobicContact CE2-CD2 3.57Å; W589-L647 HydrophobicContact CB-CD1 3.86Å; W589-L647 HydrophobicContact CB-CD2 4.3Å; W589-L647 WeakPolarHBondContact O-CD1 3.16Å; C593-L647 HydrophobicContact CB-CD1 4.35Å; L595-L647 HydrophobicContact CD1-CB 4.26Å; L595-L647 HydrophobicContact CD1-CD1 4.47Å; V629-L647 HydrophobicContact CG2-CD2 4.39Å; E636-L647 VanDerWaalsContact OE2-CB 3.3Å; E636-L647 WeakPolarHBondContact OE2-CB 3.47Å; E636-L647 PolarHBondContact OE2-N 2.96Å; G645-L647 VanDerWaalsContact C-N 3.27Å; G645-L647 PolarHBondContact O-N 3.28Å; L647-C650 WeakPolarHBondContact O-CB 3.38Å; L647-C650 PolarHBondContact O-N 3.11Å; L647-L651 HydrophobicContact CD1-CD1 4.14Å; L647-L651 HydrophobicContact CD1-CG 4.32Å; L647-L651 HydrophobicContact CG-CD1 4.27Å; L647-L651 WeakPolarHBondContact O-CG 3.32Å; L647-L651 PolarHBondContact O-N 3.35Å |
| 648 | F | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 0% | 0.004 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -72 | -31.9 | 180 | -80.9 | 4.2 | 0 | 0 | 0 | 112.3 | A484 F487 V634 V644 G645 C650 L651 I652 | A484-F648 HydrophobicContact CB-CD1 3.87Å; A484-F648 HydrophobicContact CB-CE1 4.05Å; A484-F648 HydrophobicContact CB-CG 4.25Å; F487-F648 HydrophobicContact CB-CD2 3.91Å; F487-F648 HydrophobicContact CB-CE2 4.12Å; V634-F648 HydrophobicContact CG1-CD2 4.36Å; V634-F648 HydrophobicContact CG1-CE2 3.56Å; V634-F648 HydrophobicContact CG1-CZ 4.35Å; V644-F648 HydrophobicContact CB-CB 3.73Å; V644-F648 HydrophobicContact CG1-CB 4.18Å; V644-F648 HydrophobicContact CG2-CB 4.06Å; G645-F648 PolarHBondContact O-N 3.18Å; F648-C650 VanDerWaalsContact C-N 3.3Å; F648-C650 PolarHBondContact O-N 3.11Å; F648-L651 HydrophobicContact CD1-CD1 4.23Å; F648-L651 PolarHBondContact O-N 3.22Å; F648-I652 HydrophobicContact CB-CD1 4.33Å; F648-I652 WeakPolarHBondContact O-CB 3.25Å; F648-I652 WeakPolarHBondContact O-CG1 2.98Å; F648-I652 PolarHBondContact O-N 2.85Å |
| 649 | A | 98.8 | Very high | 98.3 | Very high | 7 Ų | 7 | 20.4 Ų | 20.4 | 6% | 0.058 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -57.2 | -46.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | V453 V639 V644 G645 A653 | V453-A649 HydrophobicContact CB-CB 4.38Å; V639-A649 HydrophobicContact CG1-CB 4.19Å; V639-A649 HydrophobicContact CG2-CB 4.47Å; V644-A649 HydrophobicContact CG2-CB 3.95Å; G645-A649 WeakPolarHBondContact O-CB 3.42Å; G645-A649 PolarHBondContact O-N 2.04Å; A649-A653 WeakPolarHBondContact O-CB 3.39Å; A649-A653 PolarHBondContact O-N 2.71Å |
| 650 | C | 98.9 | Very high | 98.3 | Very high | 28 Ų | 28 | 19.5 Ų | 19.5 | 19% | 0.189 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.2 | -51.8 | 175 | 161.7 | 0 | 0 | 0 | 0 | 112.7 | C593 P646 L647 F648 T654 | C593-C650 VanDerWaalsContact CA-SG 3.58Å; C593-C650 HydrophobicContact CB-CB 3.71Å; C593-C650 WeakPolarHBondContact CB-SG 2.99Å; C593-C650 WeakPolarHBondContact SG-CB 3.33Å; C593-C650 CovalentContact SG-SG 2.04Å; C593-C650 PolarHBondContact SG-SG 3.35Å; P646-C650 PolarHBondContact O-N 3.37Å; P646-C650 VanDerWaalsContact O-N 3.07Å; L647-C650 WeakPolarHBondContact O-CB 3.38Å; L647-C650 PolarHBondContact O-N 3.11Å; F648-C650 VanDerWaalsContact C-N 3.3Å; F648-C650 PolarHBondContact O-N 3.11Å; C650-T654 VanDerWaalsContact O-CB 3.24Å; C650-T654 WeakPolarHBondContact O-CB 3.3Å; C650-T654 PolarHBondContact O-N 2.83Å; C650-T654 PolarHBondContact O-OG1 3.3Å |
| 651 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.4 | -43.4 | -175.7 | -65.1 | 177 | 0 | 0 | 0 | 112.2 | W169 V479 A484 W589 F592 L647 F648 T654 Q655 | W169-L651 HydrophobicContact CE3-CD2 4.07Å; W169-L651 HydrophobicContact CZ3-CD2 3.85Å; V479-L651 HydrophobicContact CG1-CD2 4.32Å; V479-L651 HydrophobicContact CG2-CD1 3.93Å; A484-L651 HydrophobicContact CB-CB 3.88Å; A484-L651 HydrophobicContact CB-CD1 4.12Å; W589-L651 HydrophobicContact CE3-CD2 3.93Å; W589-L651 HydrophobicContact CZ3-CD2 4.33Å; F592-L651 HydrophobicContact CD1-CD2 3.88Å; F592-L651 HydrophobicContact CE1-CD2 3.92Å; L647-L651 HydrophobicContact CD1-CD1 4.14Å; L647-L651 HydrophobicContact CD1-CG 4.32Å; L647-L651 HydrophobicContact CG-CD1 4.27Å; L647-L651 WeakPolarHBondContact O-CG 3.32Å; L647-L651 PolarHBondContact O-N 3.35Å; F648-L651 HydrophobicContact CD1-CD1 4.23Å; F648-L651 PolarHBondContact O-N 3.22Å; L651-T654 PolarHBondContact O-N 3.26Å; L651-Q655 PolarHBondContact O-N 3.03Å |
| 652 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -65.8 | -50.3 | 178.3 | -65.9 | 172.4 | 0 | 0 | 0 | 109.8 | L449 I452 V453 F480 A484 Y485 F487 V644 F648 T654 Q655 F656 | L449-I652 HydrophobicContact CD2-CG2 4.24Å; I452-I652 HydrophobicContact CG2-CD1 4.16Å; V453-I652 HydrophobicContact CG1-CB 3.93Å; V453-I652 HydrophobicContact CG1-CG2 3.65Å; F480-I652 HydrophobicContact CD2-CG1 4.49Å; F480-I652 HydrophobicContact CE2-CB 4.46Å; F480-I652 HydrophobicContact CE2-CG1 4.28Å; F480-I652 HydrophobicContact CE2-CG2 4.35Å; A484-I652 HydrophobicContact CB-CG1 4.08Å; Y485-I652 HydrophobicContact CD2-CD1 4.21Å; Y485-I652 HydrophobicContact CD2-CG1 4.18Å; Y485-I652 HydrophobicContact CD2-CG2 4.3Å; Y485-I652 HydrophobicContact CE2-CG2 4.26Å; F487-I652 HydrophobicContact CD1-CD1 3.79Å; F487-I652 HydrophobicContact CE1-CD1 3.96Å; V644-I652 HydrophobicContact CG1-CD1 4.04Å; V644-I652 HydrophobicContact CG2-CD1 4.42Å; F648-I652 HydrophobicContact CB-CD1 4.33Å; F648-I652 WeakPolarHBondContact O-CB 3.25Å; F648-I652 WeakPolarHBondContact O-CG1 2.98Å; F648-I652 PolarHBondContact O-N 2.85Å; I652-T654 VanDerWaalsContact C-N 3.25Å; I652-T654 PolarHBondContact O-N 2.99Å; I652-Q655 PolarHBondContact O-N 3.28Å; I652-Q655 VanDerWaalsContact O-N 3.15Å; I652-F656 HydrophobicContact CG2-CD2 3.67Å; I652-F656 HydrophobicContact CG2-CE2 3.8Å; I652-F656 WeakPolarHBondContact O-CD2 3.04Å; I652-F656 PolarHBondContact O-N 3.36Å |
| 653 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61.7 | -35.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | V453 A457 Q461 L462 A649 Q657 | V453-A653 HydrophobicContact CG1-CB 4.42Å; A457-A653 HydrophobicContact CB-CB 4.16Å; Q461-A653 VanDerWaalsContact OE1-CB 3.28Å; L462-A653 HydrophobicContact CD1-CB 3.94Å; L462-A653 WeakPolarHBondContact CD2-O 3.48Å; L462-A653 HydrophobicContact CG-CB 4.1Å; A649-A653 WeakPolarHBondContact O-CB 3.39Å; A649-A653 PolarHBondContact O-N 2.71Å; A653-Q657 WeakPolarHBondContact O-CB 3.16Å; A653-Q657 PolarHBondContact O-N 2.88Å |
| 654 | T | 98.9 | Very high | 98.7 | Very high | 18 Ų | 18 | 14 Ų | 14 | 11% | 0.11 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -65.5 | -42.1 | 175.1 | -58.6 | 0 | 0 | 0 | 0 | 112.4 | W169 Q461 C650 L651 I652 R658 | W169-T654 HydrophobicContact CH2-CG2 3.58Å; W169-T654 HydrophobicContact CZ2-CG2 3.91Å; W169-T654 HydrophobicContact CZ3-CG2 3.91Å; Q461-T654 PolarHBondContact NE2-OG1 3.15Å; Q461-T654 VanDerWaalsContact NE2-OG1 3.13Å; C650-T654 VanDerWaalsContact O-CB 3.24Å; C650-T654 WeakPolarHBondContact O-CB 3.3Å; C650-T654 PolarHBondContact O-N 2.83Å; C650-T654 PolarHBondContact O-OG1 3.3Å; L651-T654 PolarHBondContact O-N 3.26Å; I652-T654 VanDerWaalsContact C-N 3.25Å; I652-T654 PolarHBondContact O-N 2.99Å; T654-R658 WeakPolarHBondContact O-CG 3.27Å; T654-R658 PolarHBondContact O-N 3.18Å; T654-R658 VanDerWaalsContact O-N 3.14Å |
| 655 | Q | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.6 | -51.1 | 176.4 | -174.8 | 65.4 | 60.4 | 0 | 0 | 110.9 | W169 S475 I476 F480 L651 I652 Q657 R658 I659 | W169-Q655 HydrophobicContact CH2-CB 4.11Å; S475-Q655 PolarHBondContact O-NE2 3.44Å; S475-Q655 VanDerWaalsContact O-NE2 3.16Å; I476-Q655 HydrophobicContact CD1-CG 4.11Å; F480-Q655 HydrophobicContact CB-CB 4.32Å; F480-Q655 HydrophobicContact CB-CG 4.24Å; F480-Q655 HydrophobicContact CD1-CG 3.89Å; F480-Q655 HydrophobicContact CD2-CB 3.33Å; F480-Q655 HydrophobicContact CD2-CG 3.6Å; F480-Q655 HydrophobicContact CE1-CG 4.08Å; F480-Q655 HydrophobicContact CE2-CB 3.64Å; F480-Q655 HydrophobicContact CE2-CG 3.79Å; F480-Q655 HydrophobicContact CG-CB 3.82Å; F480-Q655 HydrophobicContact CG-CG 3.64Å; F480-Q655 HydrophobicContact CZ-CB 4.37Å; F480-Q655 HydrophobicContact CZ-CG 4.02Å; L651-Q655 PolarHBondContact O-N 3.03Å; I652-Q655 PolarHBondContact O-N 3.28Å; I652-Q655 VanDerWaalsContact O-N 3.15Å; Q655-Q657 VanDerWaalsContact C-N 3.28Å; Q655-Q657 PolarHBondContact O-N 3.43Å; Q655-R658 WeakPolarHBondContact O-CB 3.38Å; Q655-R658 PolarHBondContact O-N 2.75Å; Q655-I659 HydrophobicContact CG-CG2 4.39Å; Q655-I659 WeakPolarHBondContact O-CG2 3.27Å; Q655-I659 PolarHBondContact O-N 3.03Å |
| 656 | F | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.4 | -37.1 | -178.9 | -81.9 | -76.8 | 0 | 0 | 0 | 112 | L234 L317 V444 F445 L449 L462 F480 Y485 I652 R658 I659 R660 | L234-F656 HydrophobicContact CD1-CE1 3.98Å; L234-F656 HydrophobicContact CD1-CZ 3.84Å; L317-F656 HydrophobicContact CD1-CD1 4.45Å; L317-F656 HydrophobicContact CD1-CE1 4.19Å; L317-F656 HydrophobicContact CD2-CE1 4.38Å; V444-F656 HydrophobicContact CG1-CD1 4.04Å; V444-F656 HydrophobicContact CG1-CE1 3.54Å; V444-F656 HydrophobicContact CG1-CZ 4.22Å; F445-F656 HydrophobicContact CE1-CB 4.35Å; F445-F656 AromaticContact CE2-CD1 3.9Å; F445-F656 HydrophobicContact CE2-CD1 3.9Å; F445-F656 HydrophobicContact CZ-CB 3.87Å; F445-F656 HydrophobicContact CZ-CD1 4.04Å; F445-F656 HydrophobicContact CZ-CG 4.44Å; F445-F656 WeakPolarHBondContact CZ-O 2.59Å; L449-F656 HydrophobicContact CD1-CB 3.78Å; L449-F656 HydrophobicContact CD1-CD1 3.72Å; L449-F656 HydrophobicContact CD1-CD2 4.02Å; L449-F656 HydrophobicContact CD1-CE1 4.34Å; L449-F656 HydrophobicContact CD1-CG 3.54Å; L449-F656 HydrophobicContact CD2-CD1 4.45Å; L449-F656 HydrophobicContact CD2-CD2 3.61Å; L449-F656 HydrophobicContact CD2-CE2 3.67Å; L449-F656 HydrophobicContact CD2-CG 4.03Å; L449-F656 HydrophobicContact CD2-CZ 4.13Å; L449-F656 HydrophobicContact CG-CD2 4.47Å; L449-F656 HydrophobicContact CG-CG 4.42Å; L462-F656 HydrophobicContact CD1-CB 4.49Å; L462-F656 HydrophobicContact CD2-CB 3.95Å; F480-F656 HydrophobicContact CE2-CD2 4.25Å; F480-F656 AromaticContact CE2-CE2 3.87Å; F480-F656 HydrophobicContact CE2-CE2 3.87Å; F480-F656 HydrophobicContact CZ-CD2 4.49Å; F480-F656 AromaticContact CZ-CE2 3.78Å; F480-F656 HydrophobicContact CZ-CE2 3.78Å; F480-F656 HydrophobicContact CZ-CZ 4.23Å; Y485-F656 HydrophobicContact CD2-CE2 4.22Å; Y485-F656 AromaticContact CE2-CE2 3.54Å; Y485-F656 HydrophobicContact CE2-CE2 3.54Å; Y485-F656 AromaticContact CE2-CZ 3.91Å; Y485-F656 HydrophobicContact CE2-CZ 3.91Å; Y485-F656 AromaticContact CZ-CZ 3.88Å; I652-F656 HydrophobicContact CG2-CD2 3.67Å; I652-F656 HydrophobicContact CG2-CE2 3.8Å; I652-F656 WeakPolarHBondContact O-CD2 3.04Å; I652-F656 PolarHBondContact O-N 3.36Å; F656-R658 VanDerWaalsContact C-N 3.32Å; F656-R658 PolarHBondContact O-N 2.93Å; F656-I659 HydrophobicContact CD1-CD1 3.62Å; F656-I659 HydrophobicContact CD1-CG1 4.36Å; F656-I659 HydrophobicContact CE1-CD1 3.9Å; F656-I659 HydrophobicContact CG-CD1 4.43Å; F656-I659 WeakPolarHBondContact O-CG1 3.38Å; F656-R660 WeakPolarHBondContact O-CB 3.39Å; F656-R660 PolarHBondContact O-N 3.45Å |
| 657 | Q | 98.8 | Very high | 98.6 | Very high | 50 Ų | 50 | 13.1 Ų | 13.1 | 23% | 0.234 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -57.9 | -46.3 | 173 | -175.3 | -176.7 | 42.1 | 0 | 0 | 111.6 | Q461 L462 A653 Q655 R660 Q661 | Q461-Q657 HydrophobicContact CG-CB 4.2Å; Q461-Q657 VanDerWaalsContact CG-CD 3.49Å; Q461-Q657 HydrophobicContact CG-CG 4.26Å; Q461-Q657 PolarHBondContact O-NE2 2.79Å; L462-Q657 HydrophobicContact CD2-CB 3.92Å; A653-Q657 WeakPolarHBondContact O-CB 3.16Å; A653-Q657 PolarHBondContact O-N 2.88Å; Q655-Q657 VanDerWaalsContact C-N 3.28Å; Q655-Q657 PolarHBondContact O-N 3.43Å; Q657-R660 PolarHBondContact O-N 2.96Å; Q657-Q661 WeakPolarHBondContact O-CB 3.44Å; Q657-Q661 WeakPolarHBondContact O-CG 3.14Å; Q657-Q661 PolarHBondContact O-N 3.09Å |
| 658 | R | 98.8 | Very high | 98.6 | Very high | 77 Ų | 77 | 16.8 Ų | 16.8 | 29% | 0.291 | 8% | 0.08 | S | C | . | . | H | α-helix | trans | -65.9 | -47 | -178.6 | -75.2 | 173 | 176 | -90.2 | -1.1 | 112.5 | V472 T654 Q655 F656 R660 Q661 G662 | V472-R658 HydrophobicContact CG1-CB 4.12Å; V472-R658 HydrophobicContact CG1-CG 4.15Å; T654-R658 WeakPolarHBondContact O-CG 3.27Å; T654-R658 PolarHBondContact O-N 3.18Å; T654-R658 VanDerWaalsContact O-N 3.14Å; Q655-R658 WeakPolarHBondContact O-CB 3.38Å; Q655-R658 PolarHBondContact O-N 2.75Å; F656-R658 VanDerWaalsContact C-N 3.32Å; F656-R658 PolarHBondContact O-N 2.93Å; R658-R660 VanDerWaalsContact C-N 3.27Å; R658-R660 PolarHBondContact O-N 3.48Å; R658-Q661 PolarHBondContact O-N 2.98Å; R658-G662 WeakPolarHBondContact O-CA 3.38Å; R658-G662 PolarHBondContact O-N 2.86Å |
| 659 | I | 98.7 | Very high | 98.5 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -66.2 | -31.8 | 179.5 | 74 | -176.7 | 0 | 0 | 0 | 111.5 | L234 A315 L317 P474 I476 Q655 F656 D663 | L234-I659 HydrophobicContact CD1-CD1 4.27Å; L234-I659 HydrophobicContact CD2-CD1 3.8Å; A315-I659 VanDerWaalsContact O-CG2 3.26Å; A315-I659 WeakPolarHBondContact O-CG2 3.29Å; L317-I659 HydrophobicContact CD1-CD1 4.33Å; L317-I659 HydrophobicContact CG-CD1 4.04Å; P474-I659 WeakPolarHBondContact O-CG2 3.49Å; I476-I659 HydrophobicContact CD1-CG2 3.84Å; Q655-I659 HydrophobicContact CG-CG2 4.39Å; Q655-I659 WeakPolarHBondContact O-CG2 3.27Å; Q655-I659 PolarHBondContact O-N 3.03Å; F656-I659 HydrophobicContact CD1-CD1 3.62Å; F656-I659 HydrophobicContact CD1-CG1 4.36Å; F656-I659 HydrophobicContact CE1-CD1 3.9Å; F656-I659 HydrophobicContact CG-CD1 4.43Å; F656-I659 WeakPolarHBondContact O-CG1 3.38Å; I659-D663 WeakPolarHBondContact O-CB 3.44Å; I659-D663 PolarHBondContact O-N 3.46Å |
| 660 | R | 98.6 | Very high | 98.4 | Very high | 7 Ų | 7 | 23.6 Ų | 23.6 | 3% | 0.026 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -70.8 | -45.1 | 175 | 176.8 | 170.7 | 75 | 168.1 | 6.8 | 112.7 | F445 L462 G463 Y465 F656 Q657 R658 W666 | F445-R660 HydrophobicContact CE1-CB 3.89Å; F445-R660 VanDerWaalsContact CE1-CD 3.45Å; F445-R660 HydrophobicContact CE1-CG 4.23Å; F445-R660 HydrophobicContact CE2-CB 4.41Å; F445-R660 HydrophobicContact CZ-CB 3.58Å; F445-R660 HydrophobicContact CZ-CG 4.27Å; L462-R660 VanDerWaalsContact C-NH2 3.27Å; L462-R660 PolarHBondContact O-NH1 2.98Å; L462-R660 PolarHBondContact O-NH2 3.31Å; L462-R660 VanDerWaalsContact O-NH2 3.14Å; G463-R660 PolarHBondContact O-NH1 3.14Å; G463-R660 PolarHBondContact O-NH2 3.43Å; Y465-R660 HydrophobicContact CD2-CG 3.56Å; Y465-R660 HydrophobicContact CE2-CG 3.66Å; Y465-R660 WeakPolarHBondContact CE2-O 3.18Å; F656-R660 WeakPolarHBondContact O-CB 3.39Å; F656-R660 PolarHBondContact O-N 3.45Å; Q657-R660 PolarHBondContact O-N 2.96Å; R658-R660 VanDerWaalsContact C-N 3.27Å; R658-R660 PolarHBondContact O-N 3.48Å; R660-W666 HydrophobicContact CB-CD2 4.46Å; R660-W666 HydrophobicContact CB-CE3 4.27Å; R660-W666 HydrophobicContact CB-CH2 4.35Å; R660-W666 HydrophobicContact CB-CZ2 4.5Å; R660-W666 HydrophobicContact CB-CZ3 4.2Å; R660-W666 HydrophobicContact CG-CD2 3.73Å; R660-W666 HydrophobicContact CG-CE3 4.03Å; R660-W666 HydrophobicContact CG-CG 4.29Å; R660-W666 HydrophobicContact CG-CH2 4.06Å; R660-W666 HydrophobicContact CG-CZ2 3.72Å; R660-W666 HydrophobicContact CG-CZ3 4.17Å |
| 661 | Q | 98.6 | Very high | 98.2 | Very high | 33 Ų | 33 | 25.8 Ų | 25.8 | 15% | 0.154 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -80.3 | -29.9 | -176.1 | -67.5 | 179.5 | 22.5 | 0 | 0 | 113 | P466 Y468 N469 V472 Q657 R658 D663 | P466-Q661 HydrophobicContact CG-CG 3.86Å; Y468-Q661 CarbonylContact C-O 3.34Å; Y468-Q661 WeakPolarHBondContact CA-O 3.34Å; Y468-Q661 VanDerWaalsContact CD2-O 3.26Å; Y468-Q661 WeakPolarHBondContact CD2-O 3.46Å; N469-Q661 PolarHBondContact N-O 3.32Å; V472-Q661 HydrophobicContact CG1-CB 4.34Å; V472-Q661 HydrophobicContact CG2-CB 4.26Å; Q657-Q661 WeakPolarHBondContact O-CB 3.44Å; Q657-Q661 WeakPolarHBondContact O-CG 3.14Å; Q657-Q661 PolarHBondContact O-N 3.09Å; R658-Q661 PolarHBondContact O-N 2.98Å; Q661-D663 VanDerWaalsContact C-N 3.32Å |
| 662 | G | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -87 | 2.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N152 Y468 R658 | N152-G662 PolarHBondContact OD1-O 2.66Å; Y468-G662 WeakPolarHBondContact CE2-O 3.2Å; R658-G662 WeakPolarHBondContact O-CA 3.38Å; R658-G662 PolarHBondContact O-N 2.86Å |
| 663 | D | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | trans | -96.5 | 108.3 | 179.1 | -179.6 | 14.8 | 0 | 0 | 0 | 112.1 | R145 N152 F316 Q441 Y468 I659 Q661 L665 W666 | R145-D663 IonicContact CZ-OD1 2.74Å; R145-D663 IonicContact CZ-OD2 3.46Å; R145-D663 IonicContact NH1-OD1 3.7Å; R145-D663 PolarHBondContact NH1-OD1 2.88Å; R145-D663 IonicContact NH1-OD2 2.84Å; R145-D663 PolarHBondContact NH1-OD2 3.01Å; R145-D663 VanDerWaalsContact NH2-CG 3.28Å; R145-D663 IonicContact NH2-OD1 3.65Å; R145-D663 PolarHBondContact NH2-OD1 2.96Å; R145-D663 VanDerWaalsContact NH2-OD1 3.1Å; R145-D663 IonicContact NH2-OD2 3.53Å; R145-D663 PolarHBondContact NH2-OD2 2.82Å; N152-D663 PolarHBondContact ND2-OD1 3.37Å; F316-D663 HydrophobicContact CD1-CB 3.68Å; F316-D663 HydrophobicContact CE1-CB 3.78Å; Q441-D663 PolarHBondContact NE2-OD2 2.75Å; Y468-D663 VanDerWaalsContact CD2-C 3.42Å; Y468-D663 WeakPolarHBondContact CD2-O 3.39Å; I659-D663 WeakPolarHBondContact O-CB 3.44Å; I659-D663 PolarHBondContact O-N 3.46Å; Q661-D663 VanDerWaalsContact C-N 3.32Å; D663-L665 PolarHBondContact O-N 3.42Å; D663-L665 PolarHBondContact OD1-N 3.06Å; D663-W666 HydrophobicContact CB-CB 4.25Å; D663-W666 WeakPolarHBondContact O-CB 3.41Å; D663-W666 PolarHBondContact O-N 2.9Å; D663-W666 PolarHBondContact OD2-N 2.69Å | ||
| 664 | R | 97.9 | Very high | 98 | Very high | 17 Ų | 17 | 29.3 Ų | 29.3 | 6% | 0.064 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -22.6 | 179.6 | -175.2 | 172.2 | 57.4 | 76 | 5.2 | 112.9 | I141 N142 C151 N152 Y468 K669 | I141-R664 VanDerWaalsContact O-CZ 3.29Å; I141-R664 PolarHBondContact O-NH1 2.61Å; I141-R664 PolarHBondContact O-NH2 3.15Å; N142-R664 PolarHBondContact OD1-NH1 2.89Å; C151-R664 PolarHBondContact O-NH2 2.87Å; N152-R664 VanDerWaalsContact O-CB 3.31Å; N152-R664 WeakPolarHBondContact O-CB 3.21Å; N152-R664 WeakPolarHBondContact O-CD 3.49Å; N152-R664 PolarHBondContact O-NE 2.9Å; N152-R664 PolarHBondContact OD1-N 3.03Å; Y468-R664 HydrophobicContact CD2-CB 4.27Å; Y468-R664 HydrophobicContact CE1-CB 4.13Å; Y468-R664 HydrophobicContact CE1-CG 4.11Å; Y468-R664 HydrophobicContact CE2-CB 3.81Å; R664-K669 WeakPolarHBondContact O-CD 3.43Å |
| 665 | L | 97.9 | Very high | 98 | Very high | 13 Ų | 13 | 32.3 Ų | 32.3 | 7% | 0.068 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 22.4 | -176.8 | -65.4 | 174.4 | 0 | 0 | 0 | 112.3 | R145 D663 H667 V672 | R145-L665 HydrophobicContact CB-CD1 4.22Å; R145-L665 HydrophobicContact CG-CB 4.24Å; R145-L665 HydrophobicContact CG-CD1 3.47Å; R145-L665 VanDerWaalsContact CG-CD1 3.47Å; R145-L665 HydrophobicContact CG-CG 4.49Å; R145-L665 PolarHBondContact NH2-O 3.24Å; D663-L665 PolarHBondContact O-N 3.42Å; D663-L665 PolarHBondContact OD1-N 3.06Å; L665-H667 PolarHBondContact O-N 3.47Å; L665-V672 HydrophobicContact CD2-CG2 4.35Å |
| 666 | W | 98.5 | Very high | 97.9 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | trans | -56.9 | 133.3 | 172.4 | -177.5 | -104.2 | 0 | 0 | 0 | 111.4 | Q441 F445 Y465 R660 D663 E668 K669 | Q441-W666 HydrophobicContact CB-CE3 4.38Å; Q441-W666 HydrophobicContact CB-CH2 3.58Å; Q441-W666 HydrophobicContact CB-CZ2 4.21Å; Q441-W666 HydrophobicContact CB-CZ3 3.71Å; Q441-W666 VanDerWaalsContact CD-CZ3 3.46Å; Q441-W666 HydrophobicContact CG-CE3 3.91Å; Q441-W666 HydrophobicContact CG-CH2 3.86Å; Q441-W666 HydrophobicContact CG-CZ3 3.41Å; Q441-W666 VanDerWaalsContact CG-CZ3 3.41Å; Q441-W666 VanDerWaalsContact OE1-CE3 3.27Å; F445-W666 AromaticContact CD2-CH2 3.41Å; F445-W666 HydrophobicContact CD2-CH2 3.41Å; F445-W666 VanDerWaalsContact CD2-CH2 3.41Å; F445-W666 HydrophobicContact CD2-CZ2 4.16Å; F445-W666 HydrophobicContact CD2-CZ3 4.31Å; F445-W666 AromaticContact CE2-CH2 3.43Å; F445-W666 HydrophobicContact CE2-CH2 3.43Å; F445-W666 VanDerWaalsContact CE2-CH2 3.43Å; F445-W666 HydrophobicContact CE2-CZ2 4.37Å; F445-W666 AromaticContact CE2-CZ3 3.95Å; F445-W666 HydrophobicContact CE2-CZ3 3.95Å; F445-W666 AromaticContact CG-CH2 4Å; F445-W666 HydrophobicContact CG-CH2 4Å; F445-W666 HydrophobicContact CG-CZ2 4.3Å; F445-W666 HydrophobicContact CZ-CH2 4.06Å; Y465-W666 AromaticContact CD1-CD1 3.86Å; Y465-W666 AromaticContact CD2-CD1 3.94Å; Y465-W666 AromaticContact CD2-NE1 3.94Å; Y465-W666 AromaticContact CE1-CD1 3.54Å; Y465-W666 HydrophobicContact CE1-CG 4.45Å; Y465-W666 AromaticContact CE2-CD1 3.64Å; Y465-W666 HydrophobicContact CE2-CG 4.14Å; Y465-W666 AromaticContact CG-NE1 3.96Å; Y465-W666 AromaticContact CZ-CD1 3.4Å; Y465-W666 VanDerWaalsContact CZ-CD1 3.4Å; Y465-W666 AromaticContact CZ-CG 3.96Å; R660-W666 HydrophobicContact CB-CD2 4.46Å; R660-W666 HydrophobicContact CB-CE3 4.27Å; R660-W666 HydrophobicContact CB-CH2 4.35Å; R660-W666 HydrophobicContact CB-CZ2 4.5Å; R660-W666 HydrophobicContact CB-CZ3 4.2Å; R660-W666 HydrophobicContact CG-CD2 3.73Å; R660-W666 HydrophobicContact CG-CE3 4.03Å; R660-W666 HydrophobicContact CG-CG 4.29Å; R660-W666 HydrophobicContact CG-CH2 4.06Å; R660-W666 HydrophobicContact CG-CZ2 3.72Å; R660-W666 HydrophobicContact CG-CZ3 4.17Å; D663-W666 HydrophobicContact CB-CB 4.25Å; D663-W666 WeakPolarHBondContact O-CB 3.41Å; D663-W666 PolarHBondContact O-N 2.9Å; D663-W666 PolarHBondContact OD2-N 2.69Å; W666-E668 VanDerWaalsContact C-N 3.27Å; W666-E668 PolarHBondContact NE1-OE2 2.91Å; W666-E668 PolarHBondContact O-N 3.28Å; W666-E668 VanDerWaalsContact O-N 3.15Å; W666-K669 VanDerWaalsContact O-CB 3.24Å; W666-K669 WeakPolarHBondContact O-CB 3.33Å; W666-K669 PolarHBondContact O-N 3.49Å | ||
| 667 | H | 97.8 | Very high | 97.9 | Very high | 20 Ų | 20 | 39.1 Ų | 39.1 | 9% | 0.093 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -29.6 | -168.9 | 75.3 | -75.7 | 0 | 0 | 0 | 114.6 | A438 Q441 L665 K669 F673 | A438-H667 HydrophobicContact CB-CB 3.61Å; Q441-H667 WeakPolarHBondContact CB-ND1 3.39Å; Q441-H667 PolarHBondContact OE1-ND1 3.5Å; L665-H667 PolarHBondContact O-N 3.47Å; H667-K669 VanDerWaalsContact C-N 3.31Å; H667-F673 HydrophobicContact CB-CD2 3.98Å; H667-F673 HydrophobicContact CB-CE2 3.78Å |
| 668 | E | 97.6 | Very high | 97.8 | Very high | 77 Ų | 77 | 40 Ų | 40 | 36% | 0.36 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -15.3 | 177.7 | -59.8 | 175.5 | 89.9 | 0 | 0 | 113 | Y465 W666 | Y465-E668 WeakPolarHBondContact CB-OE2 3.34Å; Y465-E668 HydrophobicContact CD1-CB 3.7Å; Y465-E668 HydrophobicContact CE1-CB 4.22Å; Y465-E668 HydrophobicContact CG-CB 4.33Å; W666-E668 VanDerWaalsContact C-N 3.27Å; W666-E668 PolarHBondContact NE1-OE2 2.91Å; W666-E668 PolarHBondContact O-N 3.28Å; W666-E668 VanDerWaalsContact O-N 3.15Å |
| 669 | K | 97.6 | Very high | 97.7 | Very high | 56 Ų | 56 | 43.4 Ų | 43.4 | 24% | 0.243 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -66.7 | 130.1 | -177.3 | -174.4 | -167.8 | 170.2 | -74.9 | 0 | 110.2 | Y465 Y468 R664 W666 H667 G671 V672 | Y465-K669 HydrophobicContact CE1-CB 4.18Å; Y468-K669 HydrophobicContact CG-CD 4.36Å; R664-K669 WeakPolarHBondContact O-CD 3.43Å; W666-K669 VanDerWaalsContact O-CB 3.24Å; W666-K669 WeakPolarHBondContact O-CB 3.33Å; W666-K669 PolarHBondContact O-N 3.49Å; H667-K669 VanDerWaalsContact C-N 3.31Å; K669-G671 PolarHBondContact O-N 3.45Å; K669-V672 HydrophobicContact CB-CG2 3.89Å; K669-V672 HydrophobicContact CD-CG2 4.17Å; K669-V672 HydrophobicContact CG-CG2 4.39Å; K669-V672 WeakPolarHBondContact O-CB 3.37Å; K669-V672 PolarHBondContact O-N 3.31Å; K669-V672 VanDerWaalsContact O-N 3.16Å |
| 670 | P | 96.3 | Very high | 97.6 | Very high | 94 Ų | 94 | 44 Ų | 44 | 61% | 0.61 | 24% | 0.244 | S | C | * | . | B | Isolated β-bridge | trans | -53.6 | 136.5 | 172.6 | -27.2 | 35.7 | 0 | 0 | 0 | 112.3 | V672 | P670-V672 VanDerWaalsContact C-N 3.35Å |
| 671 | G | 94.6 | Very high | 97.5 | Very high | 75 Ų | 75 | 43.8 Ų | 43.8 | 77% | 0.773 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 88.6 | -16.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | K669 | K669-G671 PolarHBondContact O-N 3.45Š|
| 672 | V | 97.4 | Very high | 97.3 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -49.7 | 174.8 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | K434 L665 K669 P670 | K434-V672 WeakPolarHBondContact CE-O 3.25Å; K434-V672 PolarHBondContact NZ-O 2.89Å; L665-V672 HydrophobicContact CD2-CG2 4.35Å; K669-V672 HydrophobicContact CB-CG2 3.89Å; K669-V672 HydrophobicContact CD-CG2 4.17Å; K669-V672 HydrophobicContact CG-CG2 4.39Å; K669-V672 WeakPolarHBondContact O-CB 3.37Å; K669-V672 PolarHBondContact O-N 3.31Å; K669-V672 VanDerWaalsContact O-N 3.16Å; P670-V672 VanDerWaalsContact C-N 3.35Å |
| 673 | F | 98.1 | Very high | 97 | Very high | 8 Ų | 8 | 48.4 Ų | 48.4 | 4% | 0.035 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -125.2 | 152.8 | 170.4 | -70.7 | -78.8 | 0 | 0 | 0 | 110.2 | K434 A438 H667 Q677 R678 L681 W727 | K434-F673 HydrophobicContact CD-CE1 4.17Å; K434-F673 HydrophobicContact CD-CZ 4.19Å; K434-F673 HydrophobicContact CG-CE1 4.05Å; K434-F673 HydrophobicContact CG-CE2 4.35Å; K434-F673 HydrophobicContact CG-CZ 3.63Å; A438-F673 HydrophobicContact CB-CE2 3.67Å; A438-F673 HydrophobicContact CB-CZ 3.79Å; H667-F673 HydrophobicContact CB-CD2 3.98Å; H667-F673 HydrophobicContact CB-CE2 3.78Å; F673-Q677 HydrophobicContact CB-CB 3.88Å; F673-Q677 HydrophobicContact CD1-CB 3.99Å; F673-Q677 HydrophobicContact CG-CB 4.34Å; F673-R678 HydrophobicContact CB-CG 3.85Å; F673-R678 PolarHBondContact O-NH1 3.5Å; F673-L681 HydrophobicContact CD1-CD1 4Å; F673-L681 HydrophobicContact CD2-CD1 3.92Å; F673-L681 HydrophobicContact CE1-CD1 4.03Å; F673-L681 HydrophobicContact CE2-CD1 3.96Å; F673-L681 HydrophobicContact CG-CD1 3.93Å; F673-L681 HydrophobicContact CZ-CD1 3.96Å; F673-W727 AromaticContact CD1-CZ2 3.73Å; F673-W727 HydrophobicContact CD1-CZ2 3.73Å; F673-W727 AromaticContact CE1-CZ2 3.64Å; F673-W727 HydrophobicContact CE1-CZ2 3.64Å |
| 674 | T | 97.6 | Very high | 96.9 | Very high | 58 Ų | 58 | 48.6 Ų | 48.6 | 36% | 0.356 | 28% | 0.283 | S | S | . | . | trans | -66.7 | 160.9 | 171.1 | 71.3 | 0 | 0 | 0 | 0 | 110.7 | Q676 Q677 R678 | T674-Q676 VanDerWaalsContact C-N 3.27Å; T674-Q676 PolarHBondContact O-N 3.07Å; T674-Q677 PolarHBondContact O-N 3.19Å; T674-Q677 WeakPolarHBondContact OG1-CB 3.31Å; T674-Q677 WeakPolarHBondContact OG1-CG 3.48Å; T674-Q677 PolarHBondContact OG1-N 2.98Å; T674-Q677 PolarHBondContact OG1-OE1 2.86Å; T674-R678 PolarHBondContact O-N 2.96Å | ||
| 675 | P | 97.5 | Very high | 96.9 | Very high | 82 Ų | 82 | 49.3 Ų | 49.3 | 53% | 0.532 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -54.4 | -41 | 174.6 | -26.6 | 35.8 | 0 | 0 | 0 | 113.5 | R678 Q679 | P675-R678 PolarHBondContact O-N 3.39Å; P675-Q679 PolarHBondContact O-N 3.41Å |
| 676 | Q | 97.2 | Very high | 96.9 | Very high | 119 Ų | 119 | 49 Ų | 49 | 56% | 0.556 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -65.9 | -43 | 178.4 | -63.8 | 80.6 | -2.1 | 0 | 0 | 111.4 | T674 Q679 A680 A726 | T674-Q676 VanDerWaalsContact C-N 3.27Å; T674-Q676 PolarHBondContact O-N 3.07Å; Q676-Q679 PolarHBondContact O-N 3.34Å; Q676-A680 PolarHBondContact O-N 2.94Å; Q676-A726 HydrophobicContact CB-CB 3.98Å |
| 677 | Q | 98.3 | Very high | 96.9 | Very high | 23 Ų | 23 | 48.9 Ų | 48.9 | 11% | 0.107 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.4 | -44 | 175.1 | -72.4 | 172.3 | -21 | 0 | 0 | 111.4 | F673 T674 Q679 A680 L681 A726 W727 | F673-Q677 HydrophobicContact CB-CB 3.88Å; F673-Q677 HydrophobicContact CD1-CB 3.99Å; F673-Q677 HydrophobicContact CG-CB 4.34Å; T674-Q677 PolarHBondContact O-N 3.19Å; T674-Q677 WeakPolarHBondContact OG1-CB 3.31Å; T674-Q677 WeakPolarHBondContact OG1-CG 3.48Å; T674-Q677 PolarHBondContact OG1-N 2.98Å; T674-Q677 PolarHBondContact OG1-OE1 2.86Å; Q677-Q679 VanDerWaalsContact C-N 3.33Å; Q677-Q679 PolarHBondContact O-N 3.3Å; Q677-A680 PolarHBondContact O-N 2.89Å; Q677-L681 WeakPolarHBondContact O-CB 3.48Å; Q677-L681 VanDerWaalsContact O-CG 3.28Å; Q677-L681 WeakPolarHBondContact O-CG 3.14Å; Q677-L681 PolarHBondContact O-N 3.08Å; Q677-A726 HydrophobicContact CG-CB 3.9Å; Q677-A726 VanDerWaalsContact CG-O 3.27Å; Q677-A726 WeakPolarHBondContact CG-O 3.33Å; Q677-A726 PolarHBondContact NE2-O 2.89Å; Q677-W727 HydrophobicContact CB-CH2 3.55Å; Q677-W727 HydrophobicContact CB-CZ2 3.68Å; Q677-W727 HydrophobicContact CB-CZ3 4.03Å; Q677-W727 HydrophobicContact CG-CD2 3.76Å; Q677-W727 HydrophobicContact CG-CE3 3.84Å; Q677-W727 HydrophobicContact CG-CG 4.49Å; Q677-W727 HydrophobicContact CG-CH2 3.68Å; Q677-W727 HydrophobicContact CG-CZ2 3.62Å; Q677-W727 HydrophobicContact CG-CZ3 3.8Å |
| 678 | R | 97.2 | Very high | 96.9 | Very high | 68 Ų | 68 | 48.6 Ų | 48.6 | 26% | 0.257 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.5 | -38.5 | 175.5 | -74.2 | -163.5 | -64.6 | -91 | -7.9 | 112.6 | F673 T674 P675 L681 S682 | F673-R678 HydrophobicContact CB-CG 3.85Å; F673-R678 PolarHBondContact O-NH1 3.5Å; T674-R678 PolarHBondContact O-N 2.96Å; P675-R678 PolarHBondContact O-N 3.39Å; R678-L681 PolarHBondContact O-N 2.83Å; R678-S682 PolarHBondContact O-N 2.87Å |
| 679 | Q | 96.4 | Very high | 96.9 | Very high | 149 Ų | 149 | 45 Ų | 45 | 70% | 0.696 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -64.7 | -41.2 | 175.4 | -175.2 | 179.2 | 13.3 | 0 | 0 | 111.6 | P675 Q676 Q677 S682 | P675-Q679 PolarHBondContact O-N 3.41Å; Q676-Q679 PolarHBondContact O-N 3.34Å; Q677-Q679 VanDerWaalsContact C-N 3.33Å; Q677-Q679 PolarHBondContact O-N 3.3Å; Q679-S682 PolarHBondContact O-N 3.28Å; Q679-S682 PolarHBondContact O-OG 2.82Å |
| 680 | A | 97 | Very high | 97 | Very high | 16 Ų | 16 | 42.4 Ų | 42.4 | 13% | 0.132 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.6 | -42.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q676 Q677 S682 A683 L722 W727 | Q676-A680 PolarHBondContact O-N 2.94Å; Q677-A680 PolarHBondContact O-N 2.89Å; A680-S682 VanDerWaalsContact C-N 3.34Å; A680-S682 PolarHBondContact O-N 3.19Å; A680-A683 PolarHBondContact O-N 2.81Å; A680-L722 HydrophobicContact CB-CD1 3.75Å; A680-L722 WeakPolarHBondContact O-CD1 3.15Å; A680-W727 HydrophobicContact CB-CZ3 4.1Å |
| 681 | L | 97 | Very high | 97.1 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.5 | -32.3 | 178.8 | -72.1 | 163.9 | 0 | 0 | 0 | 113.2 | I435 A438 Y439 F673 Q677 R678 A683 V684 L722 W727 | I435-L681 HydrophobicContact CG2-CD2 4.29Å; A438-L681 HydrophobicContact CB-CD1 3.81Å; A438-L681 HydrophobicContact CB-CD2 3.86Å; A438-L681 HydrophobicContact CB-CG 4.41Å; Y439-L681 HydrophobicContact CD1-CD2 3.87Å; Y439-L681 HydrophobicContact CE1-CD2 3.82Å; F673-L681 HydrophobicContact CD1-CD1 4Å; F673-L681 HydrophobicContact CD2-CD1 3.92Å; F673-L681 HydrophobicContact CE1-CD1 4.03Å; F673-L681 HydrophobicContact CE2-CD1 3.96Å; F673-L681 HydrophobicContact CG-CD1 3.93Å; F673-L681 HydrophobicContact CZ-CD1 3.96Å; Q677-L681 WeakPolarHBondContact O-CB 3.48Å; Q677-L681 VanDerWaalsContact O-CG 3.28Å; Q677-L681 WeakPolarHBondContact O-CG 3.14Å; Q677-L681 PolarHBondContact O-N 3.08Å; R678-L681 PolarHBondContact O-N 2.83Å; L681-A683 PolarHBondContact O-N 3.23Å; L681-A683 VanDerWaalsContact O-N 3.16Å; L681-V684 WeakPolarHBondContact O-CG2 3.19Å; L681-V684 PolarHBondContact O-N 3.45Å; L681-L722 HydrophobicContact CD2-CD1 4.45Å; L681-W727 HydrophobicContact CD1-CH2 4.18Å; L681-W727 HydrophobicContact CD1-CZ2 4.28Å; L681-W727 HydrophobicContact CD2-CH2 4.36Å; L681-W727 HydrophobicContact CG-CH2 3.97Å; L681-W727 HydrophobicContact CG-CZ2 4.48Å |
| 682 | S | 94.2 | Very high | 97.3 | Very high | 78 Ų | 78 | 36.6 Ų | 36.6 | 55% | 0.545 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -18.8 | -176.8 | 74 | 0 | 0 | 0 | 0 | 114 | R446 R678 Q679 A680 | R446-S682 PolarHBondContact NH1-O 3.08Å; R678-S682 PolarHBondContact O-N 2.87Å; Q679-S682 PolarHBondContact O-N 3.28Å; Q679-S682 PolarHBondContact O-OG 2.82Å; A680-S682 VanDerWaalsContact C-N 3.34Å; A680-S682 PolarHBondContact O-N 3.19Å |
| 683 | A | 92.7 | Very high | 97.4 | Very high | 52 Ų | 52 | 36.7 Ų | 36.7 | 43% | 0.43 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -7.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | A680 L681 | A680-A683 PolarHBondContact O-N 2.81Å; L681-A683 PolarHBondContact O-N 3.23Å; L681-A683 VanDerWaalsContact O-N 3.16Å |
| 684 | V | 95.6 | Very high | 97.4 | Very high | 6 Ų | 6 | 36.6 Ų | 36.6 | 4% | 0.036 | 21% | 0.205 | C | C | . | . | trans | -72.9 | 145.9 | -174 | -56.2 | 0 | 0 | 0 | 0 | 111.5 | Y439 T442 F443 R446 L681 L722 | Y439-V684 HydrophobicContact CD1-CB 4.24Å; Y439-V684 HydrophobicContact CD1-CG1 4.23Å; Y439-V684 HydrophobicContact CD1-CG2 3.73Å; Y439-V684 HydrophobicContact CE1-CB 4.09Å; Y439-V684 HydrophobicContact CE1-CG1 3.67Å; Y439-V684 HydrophobicContact CE1-CG2 4.07Å; Y439-V684 HydrophobicContact CG-CG2 4.49Å; T442-V684 HydrophobicContact CG2-CG2 4.36Å; F443-V684 HydrophobicContact CE1-CB 4.37Å; F443-V684 HydrophobicContact CE1-CG2 3.77Å; F443-V684 HydrophobicContact CZ-CG2 4.22Å; R446-V684 PolarHBondContact NH1-O 3.02Å; R446-V684 PolarHBondContact NH2-O 3.5Å; L681-V684 WeakPolarHBondContact O-CG2 3.19Å; L681-V684 PolarHBondContact O-N 3.45Å; V684-L722 HydrophobicContact CG1-CB 4.2Å; V684-L722 HydrophobicContact CG1-CD1 3.75Å | ||
| 685 | T | 97.8 | Very high | 97.4 | Very high | 32 Ų | 32 | 35.4 Ų | 35.4 | 20% | 0.196 | 20% | 0.204 | C | C | . | . | trans | -137 | 149.6 | 178.1 | 65.1 | 0 | 0 | 0 | 0 | 110.4 | F443 S687 R688 I689 | F443-T685 VanDerWaalsContact CE1-C 3.49Å; T685-S687 PolarHBondContact O-N 3.08Å; T685-R688 WeakPolarHBondContact O-CB 3.46Å; T685-R688 PolarHBondContact O-N 3.02Å; T685-R688 PolarHBondContact OG1-N 3.04Å; T685-I689 PolarHBondContact O-N 3.35Å | ||
| 686 | L | 98.4 | Very high | 97.5 | Very high | 5 Ų | 5 | 31.8 Ų | 31.8 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.3 | -36.3 | 174.7 | -178.7 | 59.4 | 0 | 0 | 0 | 111.5 | M222 F226 L404 F405 F443 R688 I689 I690 A703 F704 | M222-L686 HydrophobicContact CE-CD2 4.23Å; M222-L686 HydrophobicContact CG-CD2 4.1Å; M222-L686 HydrophobicContact SD-CD2 4.07Å; F226-L686 HydrophobicContact CD2-CD2 4.18Å; F226-L686 HydrophobicContact CE2-CD2 4.1Å; L404-L686 HydrophobicContact CD2-CD1 4.34Å; F405-L686 HydrophobicContact CE2-CD1 4.36Å; F405-L686 HydrophobicContact CZ-CD1 4.11Å; F443-L686 HydrophobicContact CD2-CB 4.47Å; F443-L686 HydrophobicContact CE2-CB 4.46Å; F443-L686 HydrophobicContact CE2-CD1 4.38Å; L686-R688 VanDerWaalsContact C-N 3.31Å; L686-R688 PolarHBondContact O-N 2.94Å; L686-I689 WeakPolarHBondContact O-CB 3.21Å; L686-I689 PolarHBondContact O-N 2.96Å; L686-I689 VanDerWaalsContact O-N 3.14Å; L686-I690 HydrophobicContact CG-CD1 4.38Å; L686-I690 WeakPolarHBondContact O-CG1 3.27Å; L686-I690 PolarHBondContact O-N 3.36Å; L686-A703 HydrophobicContact CB-CB 4.23Å; L686-A703 HydrophobicContact CD2-CB 4.07Å; L686-A703 HydrophobicContact CG-CB 4.24Å; L686-F704 HydrophobicContact CD2-CE1 4.11Å; L686-F704 HydrophobicContact CD2-CE2 4.32Å; L686-F704 HydrophobicContact CD2-CZ 3.68Å |
| 687 | S | 98.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.007 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.9 | -39.5 | 174.5 | -61.2 | 0 | 0 | 0 | 0 | 113 | T685 I690 C691 P700 R701 | T685-S687 PolarHBondContact O-N 3.08Å; S687-I690 PolarHBondContact O-N 3.19Å; S687-C691 PolarHBondContact O-N 2.79Å; S687-C691 PolarHBondContact O-SG 3Å; S687-P700 VanDerWaalsContact CB-O 3.28Å; S687-P700 WeakPolarHBondContact CB-O 3.49Å; S687-P700 PolarHBondContact OG-O 2.91Å; S687-R701 PolarHBondContact OG-O 3.41Å |
| 688 | R | 98.3 | Very high | 97.5 | Very high | 14 Ų | 14 | 30.6 Ų | 30.6 | 5% | 0.053 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66 | -42.1 | 174.4 | 179.9 | 66 | -102.7 | 167.9 | 3.5 | 111.6 | T685 L686 I690 C691 D692 C716 L719 P720 | T685-R688 WeakPolarHBondContact O-CB 3.46Å; T685-R688 PolarHBondContact O-N 3.02Å; T685-R688 PolarHBondContact OG1-N 3.04Å; L686-R688 VanDerWaalsContact C-N 3.31Å; L686-R688 PolarHBondContact O-N 2.94Å; R688-I690 VanDerWaalsContact C-N 3.31Å; R688-I690 PolarHBondContact O-N 2.96Å; R688-C691 WeakPolarHBondContact O-CB 3.28Å; R688-C691 PolarHBondContact O-N 3.19Å; R688-C691 VanDerWaalsContact O-N 3.13Å; R688-D692 WeakPolarHBondContact CG-OD2 3.11Å; R688-D692 IonicContact CZ-OD1 3.21Å; R688-D692 IonicContact CZ-OD2 2.79Å; R688-D692 IonicContact NE-OD1 3.35Å; R688-D692 PolarHBondContact NE-OD1 3.29Å; R688-D692 VanDerWaalsContact NE-OD1 3.11Å; R688-D692 IonicContact NE-OD2 2.73Å; R688-D692 PolarHBondContact NE-OD2 3.03Å; R688-D692 IonicContact NH2-OD1 2.69Å; R688-D692 PolarHBondContact NH2-OD1 2.8Å; R688-D692 IonicContact NH2-OD2 3.59Å; R688-D692 PolarHBondContact O-N 2.89Å; R688-C716 PolarHBondContact NH1-O 3.37Å; R688-L719 WeakPolarHBondContact CD-O 3.28Å; R688-L719 PolarHBondContact NH1-O 2.93Å; R688-P720 WeakPolarHBondContact CD-O 3.49Å; R688-P720 VanDerWaalsContact CG-O 3.27Å; R688-P720 WeakPolarHBondContact CG-O 3.43Å |
| 689 | I | 98.5 | Very high | 97.6 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.7 | -40.7 | 176.6 | -55.3 | -53.5 | 0 | 0 | 0 | 110.9 | L404 E408 Y439 F443 T685 L686 D692 N693 | L404-I689 HydrophobicContact CD1-CG2 4.43Å; L404-I689 HydrophobicContact CD2-CG2 4.38Å; L404-I689 HydrophobicContact CG-CG2 4.19Å; E408-I689 HydrophobicContact CB-CG2 4.02Å; E408-I689 HydrophobicContact CG-CD1 4.14Å; E408-I689 HydrophobicContact CG-CG2 4.06Å; Y439-I689 HydrophobicContact CD2-CD1 3.93Å; Y439-I689 HydrophobicContact CD2-CG1 4.48Å; Y439-I689 HydrophobicContact CE2-CD1 3.46Å; Y439-I689 VanDerWaalsContact CE2-CD1 3.46Å; Y439-I689 HydrophobicContact CE2-CG1 4.45Å; F443-I689 HydrophobicContact CE2-CG1 4.2Å; F443-I689 HydrophobicContact CZ-CG1 3.89Å; T685-I689 PolarHBondContact O-N 3.35Å; L686-I689 WeakPolarHBondContact O-CB 3.21Å; L686-I689 PolarHBondContact O-N 2.96Å; L686-I689 VanDerWaalsContact O-N 3.14Å; I689-D692 PolarHBondContact O-N 2.96Å; I689-N693 WeakPolarHBondContact O-CB 3.3Å; I689-N693 PolarHBondContact O-N 2.91Å; I689-N693 PolarHBondContact O-ND2 2.8Å |
| 690 | I | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.1 | -50.9 | 172.3 | -66.8 | 169.3 | 0 | 0 | 0 | 109.9 | M222 L404 I538 L686 S687 R688 D692 N693 T694 I696 V699 | M222-I690 HydrophobicContact CE-CD1 4.36Å; L404-I690 HydrophobicContact CD2-CG1 3.83Å; I538-I690 HydrophobicContact CD1-CD1 4.1Å; I538-I690 HydrophobicContact CG2-CD1 3.8Å; L686-I690 HydrophobicContact CG-CD1 4.38Å; L686-I690 WeakPolarHBondContact O-CG1 3.27Å; L686-I690 PolarHBondContact O-N 3.36Å; S687-I690 PolarHBondContact O-N 3.19Å; R688-I690 VanDerWaalsContact C-N 3.31Å; R688-I690 PolarHBondContact O-N 2.96Å; I690-D692 VanDerWaalsContact C-N 3.34Å; I690-D692 PolarHBondContact O-N 3.21Å; I690-N693 PolarHBondContact O-N 3.47Å; I690-T694 HydrophobicContact CG2-CG2 4.22Å; I690-T694 VanDerWaalsContact O-CB 3.31Å; I690-T694 WeakPolarHBondContact O-CB 3.21Å; I690-T694 VanDerWaalsContact O-CG2 3.25Å; I690-T694 WeakPolarHBondContact O-CG2 3.43Å; I690-T694 PolarHBondContact O-N 3.05Å; I690-T694 PolarHBondContact O-OG1 3.33Å; I690-I696 HydrophobicContact CG2-CB 4.41Å; I690-I696 HydrophobicContact CG2-CD1 3.79Å; I690-V699 HydrophobicContact CG2-CG1 3.99Å |
| 691 | C | 98.8 | Very high | 97.6 | Very high | 14 Ų | 14 | 26.4 Ų | 26.4 | 10% | 0.095 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.2 | -39.3 | 179 | -69.8 | 0 | 0 | 0 | 0 | 113.9 | S687 R688 N693 V699 C716 | S687-C691 PolarHBondContact O-N 2.79Å; S687-C691 PolarHBondContact O-SG 3Å; R688-C691 WeakPolarHBondContact O-CB 3.28Å; R688-C691 PolarHBondContact O-N 3.19Å; R688-C691 VanDerWaalsContact O-N 3.13Å; C691-N693 VanDerWaalsContact C-N 3.31Å; C691-N693 PolarHBondContact O-N 3.47Å; C691-V699 VanDerWaalsContact SG-CG2 3.5Å; C691-C716 HydrophobicContact CB-CB 3.55Å; C691-C716 WeakPolarHBondContact CB-SG 3.19Å; C691-C716 VanDerWaalsContact SG-CA 3.53Å; C691-C716 WeakPolarHBondContact SG-CB 3.48Å; C691-C716 CovalentContact SG-SG 2.03Å; C691-C716 PolarHBondContact SG-SG 3Å |
| 692 | D | 98.6 | Very high | 97.6 | Very high | 34 Ų | 34 | 28.4 Ų | 28.4 | 18% | 0.182 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -73.4 | -20.9 | -177 | -75.6 | -34.5 | 0 | 0 | 0 | 113.8 | R688 I689 I690 R721 | R688-D692 WeakPolarHBondContact CG-OD2 3.11Å; R688-D692 IonicContact CZ-OD1 3.21Å; R688-D692 IonicContact CZ-OD2 2.79Å; R688-D692 IonicContact NE-OD1 3.35Å; R688-D692 PolarHBondContact NE-OD1 3.29Å; R688-D692 VanDerWaalsContact NE-OD1 3.11Å; R688-D692 IonicContact NE-OD2 2.73Å; R688-D692 PolarHBondContact NE-OD2 3.03Å; R688-D692 IonicContact NH2-OD1 2.69Å; R688-D692 PolarHBondContact NH2-OD1 2.8Å; R688-D692 IonicContact NH2-OD2 3.59Å; R688-D692 PolarHBondContact O-N 2.89Å; I689-D692 PolarHBondContact O-N 2.96Å; I690-D692 VanDerWaalsContact C-N 3.34Å; I690-D692 PolarHBondContact O-N 3.21Å; D692-R721 IonicContact OD1-NE 3.91Å |
| 693 | N | 98.8 | Very high | 97.8 | Very high | 8 Ų | 8 | 24.9 Ų | 24.9 | 4% | 0.043 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -123.8 | 8.2 | -167.7 | -64.5 | -74.1 | 0 | 0 | 0 | 114.1 | L404 R407 E408 I689 I690 C691 | L404-N693 HydrophobicContact CD1-CB 3.65Å; R407-N693 HydrophobicContact CB-CB 3.88Å; R407-N693 WeakPolarHBondContact CB-OD1 3.5Å; R407-N693 VanDerWaalsContact CD-O 3.23Å; R407-N693 WeakPolarHBondContact CD-O 3.41Å; R407-N693 PolarHBondContact NH1-O 3.39Å; R407-N693 PolarHBondContact O-OD1 3.23Å; E408-N693 WeakPolarHBondContact CA-OD1 3.18Å; E408-N693 PolarHBondContact N-OD1 2.89Å; E408-N693 PolarHBondContact OE2-ND2 2.83Å; I689-N693 WeakPolarHBondContact O-CB 3.3Å; I689-N693 PolarHBondContact O-N 2.91Å; I689-N693 PolarHBondContact O-ND2 2.8Å; I690-N693 PolarHBondContact O-N 3.47Å; C691-N693 VanDerWaalsContact C-N 3.31Å; C691-N693 PolarHBondContact O-N 3.47Å |
| 694 | T | 98.8 | Very high | 98 | Very high | 7 Ų | 7 | 22.5 Ų | 22.5 | 4% | 0.043 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -135.1 | 178.2 | -177 | 70.1 | 0 | 0 | 0 | 0 | 111.7 | R354 L404 I530 D531 L534 I690 I696 | R354-T694 PolarHBondContact NE-O 3.2Å; R354-T694 PolarHBondContact NH2-O 3.02Å; L404-T694 HydrophobicContact CD1-CG2 3.95Å; I530-T694 HydrophobicContact CD1-CG2 4.4Å; D531-T694 VanDerWaalsContact OD1-CB 3.29Å; D531-T694 WeakPolarHBondContact OD1-CB 3.47Å; L534-T694 HydrophobicContact CD1-CG2 3.47Å; L534-T694 VanDerWaalsContact CD1-CG2 3.47Å; I690-T694 HydrophobicContact CG2-CG2 4.22Å; I690-T694 VanDerWaalsContact O-CB 3.31Å; I690-T694 WeakPolarHBondContact O-CB 3.21Å; I690-T694 VanDerWaalsContact O-CG2 3.25Å; I690-T694 WeakPolarHBondContact O-CG2 3.43Å; I690-T694 PolarHBondContact O-N 3.05Å; I690-T694 PolarHBondContact O-OG1 3.33Å; T694-I696 VanDerWaalsContact C-N 3.33Å; T694-I696 WeakPolarHBondContact OG1-CB 3.01Å; T694-I696 PolarHBondContact OG1-N 2.9Å; T694-I696 VanDerWaalsContact OG1-N 3.15Å |
| 695 | G | 98.2 | Very high | 98.1 | Very high | 32 Ų | 32 | 23.4 Ų | 23.4 | 33% | 0.33 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -89.6 | 6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | D531 T697 | D531-G695 PolarHBondContact OD1-N 3.21Å; D531-G695 VanDerWaalsContact OD1-N 3.16Å; D531-G695 WeakPolarHBondContact OD2-CA 3.46Å; D531-G695 PolarHBondContact OD2-N 2.92Å; G695-T697 PolarHBondContact O-N 3.07Å |
| 696 | I | 98.6 | Very high | 98 | Very high | 6 Ų | 6 | 23.2 Ų | 23.2 | 3% | 0.031 | 13% | 0.129 | C | C | . | . | trans | -75.9 | 121 | -178.4 | -57.1 | 171.9 | 0 | 0 | 0 | 109.1 | D531 L534 R535 I690 T694 S698 V699 C716 | D531-I696 HydrophobicContact CB-CG1 4.37Å; D531-I696 PolarHBondContact OD2-N 3.45Å; L534-I696 HydrophobicContact CB-CD1 3.85Å; R535-I696 HydrophobicContact CG-CD1 3.7Å; R535-I696 HydrophobicContact CG-CG1 3.99Å; R535-I696 HydrophobicContact CG-CG2 4.37Å; I690-I696 HydrophobicContact CG2-CB 4.41Å; I690-I696 HydrophobicContact CG2-CD1 3.79Å; T694-I696 VanDerWaalsContact C-N 3.33Å; T694-I696 WeakPolarHBondContact OG1-CB 3.01Å; T694-I696 PolarHBondContact OG1-N 2.9Å; T694-I696 VanDerWaalsContact OG1-N 3.15Å; I696-S698 WeakPolarHBondContact CG2-O 3.18Å; I696-V699 HydrophobicContact CG2-CG1 3.67Å; I696-C716 PolarHBondContact O-SG 3.45Å | ||
| 697 | T | 98.2 | Very high | 97.9 | Very high | 94 Ų | 94 | 25.7 Ų | 25.7 | 58% | 0.577 | 15% | 0.145 | S | C | * | . | trans | -97.9 | -14.7 | -177.5 | 54.3 | 0 | 0 | 0 | 0 | 113.9 | G695 Q715 C716 | G695-T697 PolarHBondContact O-N 3.07Å; T697-Q715 WeakPolarHBondContact O-CA 3.46Å; T697-Q715 PolarHBondContact O-OE1 3.36Å; T697-Q715 VanDerWaalsContact O-OE1 3.05Å; T697-C716 WeakPolarHBondContact O-CB 3.41Å; T697-C716 PolarHBondContact O-N 3.16Å; T697-C716 PolarHBondContact O-SG 2.76Å; T697-C716 VanDerWaalsContact O-SG 3.4Å | ||
| 698 | S | 98.3 | Very high | 97.7 | Very high | 23 Ų | 23 | 27.9 Ų | 27.9 | 16% | 0.161 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 133.6 | 177.5 | -68.8 | 0 | 0 | 0 | 0 | 110.2 | Y503 I696 V714 Q715 | Y503-S698 PolarHBondContact OH-O 3.26Å; I696-S698 WeakPolarHBondContact CG2-O 3.18Å; S698-V714 VanDerWaalsContact CA-O 3.23Å; S698-V714 WeakPolarHBondContact CA-O 3.33Å; S698-Q715 VanDerWaalsContact OG-CD 3.26Å; S698-Q715 PolarHBondContact OG-NE2 3.03Å; S698-Q715 VanDerWaalsContact OG-NE2 3.15Å; S698-Q715 PolarHBondContact OG-OE1 3.23Å; S698-Q715 VanDerWaalsContact OG-OE1 3.09Å |
| 699 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 155.5 | -176.7 | -65.9 | 0 | 0 | 0 | 0 | 109.9 | I538 I690 C691 I696 L713 V714 L719 | I538-V699 HydrophobicContact CD1-CB 4.32Å; I538-V699 HydrophobicContact CD1-CG1 4Å; I690-V699 HydrophobicContact CG2-CG1 3.99Å; C691-V699 VanDerWaalsContact SG-CG2 3.5Å; I696-V699 HydrophobicContact CG2-CG1 3.67Å; V699-L713 CarbonylContact O-C 3.53Å; V699-L713 WeakPolarHBondContact O-CA 3.5Å; V699-V714 PolarHBondContact N-O 2.81Å; V699-V714 WeakPolarHBondContact O-CG2 3.44Å; V699-V714 PolarHBondContact O-N 3.21Å; V699-L719 HydrophobicContact CG2-CD1 3.48Å; V699-L719 VanDerWaalsContact CG2-CD1 3.48Å |
| 700 | P | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 152.2 | 167.7 | 28.9 | -34.5 | 0 | 0 | 0 | 110.7 | I538 S687 D702 V707 N711 L713 | I538-P700 HydrophobicContact CB-CG 3.95Å; I538-P700 HydrophobicContact CG1-CG 4.21Å; S687-P700 VanDerWaalsContact CB-O 3.28Å; S687-P700 WeakPolarHBondContact CB-O 3.49Å; S687-P700 PolarHBondContact OG-O 2.91Å; P700-D702 VanDerWaalsContact C-N 3.32Å; P700-D702 WeakPolarHBondContact CB-O 3.33Å; P700-V707 HydrophobicContact CB-CG2 4.39Å; P700-N711 WeakPolarHBondContact CB-ND2 3.26Å; P700-L713 HydrophobicContact CB-CD2 4.43Å |
| 701 | R | 95.4 | Very high | 97 | Very high | 146 Ų | 146 | 46.1 Ų | 46.1 | 55% | 0.551 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -63.7 | -41.9 | 176.5 | -71.8 | -171.6 | -178.9 | -79.8 | -1.2 | 111.4 | S687 N711 V714 | S687-R701 PolarHBondContact OG-O 3.41Å; R701-N711 PolarHBondContact N-OD1 3.26Å; R701-V714 HydrophobicContact CG-CG1 3.87Å; R701-V714 HydrophobicContact CG-CG2 3.86Å |
| 702 | D | 96.8 | Very high | 96.8 | Very high | 43 Ų | 43 | 53.1 Ų | 53.1 | 23% | 0.23 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -106.8 | 115.5 | 170.9 | 175.1 | 13.3 | 0 | 0 | 0 | 109.4 | H451 P700 F704 S705 N711 | H451-D702 IonicContact NE2-OD2 2.81Å; P700-D702 VanDerWaalsContact C-N 3.32Å; P700-D702 WeakPolarHBondContact CB-O 3.33Å; D702-F704 PolarHBondContact O-N 3.31Å; D702-F704 WeakPolarHBondContact OD1-CB 3.31Å; D702-F704 PolarHBondContact OD1-N 3.28Å; D702-S705 WeakPolarHBondContact OD2-CB 3.08Å; D702-S705 PolarHBondContact OD2-N 3.14Å; D702-S705 PolarHBondContact OD2-OG 3.28Å; D702-N711 PolarHBondContact N-OD1 3.12Å; D702-N711 PolarHBondContact O-ND2 3.09Å |
| 703 | A | 97.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 54.5 Ų | 54.5 | 3% | 0.025 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -15.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | M222 I538 L686 | M222-A703 VanDerWaalsContact CB-O 3.27Å; M222-A703 WeakPolarHBondContact CB-O 3.22Å; I538-A703 HydrophobicContact CG2-CB 3.98Å; L686-A703 HydrophobicContact CB-CB 4.23Å; L686-A703 HydrophobicContact CD2-CB 4.07Å; L686-A703 HydrophobicContact CG-CB 4.24Å |
| 704 | F | 97.9 | Very high | 96.7 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.009 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -18.4 | -177 | -60.6 | -66.7 | 0 | 0 | 0 | 113.4 | Y219 A220 M222 V223 F226 D447 Y448 L686 D702 | Y219-F704 CarbonylContact C-O 3.58Å; Y219-F704 WeakPolarHBondContact CA-O 3.39Å; A220-F704 PolarHBondContact N-O 3.2Å; M222-F704 HydrophobicContact CB-CD1 4.39Å; M222-F704 HydrophobicContact CG-CD1 3.82Å; M222-F704 HydrophobicContact CG-CE1 3.74Å; V223-F704 HydrophobicContact CG2-CB 3.63Å; V223-F704 HydrophobicContact CG2-CD1 3.85Å; V223-F704 HydrophobicContact CG2-CG 4.19Å; V223-F704 VanDerWaalsContact CG2-O 3.31Å; V223-F704 WeakPolarHBondContact CG2-O 3.34Å; F226-F704 HydrophobicContact CB-CD1 4.49Å; F226-F704 HydrophobicContact CB-CE1 3.62Å; F226-F704 HydrophobicContact CB-CZ 4.44Å; F226-F704 AromaticContact CD1-CE1 3.61Å; F226-F704 HydrophobicContact CD1-CE1 3.61Å; F226-F704 AromaticContact CD1-CZ 3.65Å; F226-F704 HydrophobicContact CD1-CZ 3.65Å; F226-F704 HydrophobicContact CD2-CE1 4.06Å; F226-F704 HydrophobicContact CD2-CZ 4.15Å; F226-F704 HydrophobicContact CE1-CE1 4.27Å; F226-F704 AromaticContact CE1-CZ 3.83Å; F226-F704 HydrophobicContact CE1-CZ 3.83Å; F226-F704 HydrophobicContact CE2-CZ 4.31Å; F226-F704 AromaticContact CG-CE1 3.49Å; F226-F704 HydrophobicContact CG-CE1 3.49Å; F226-F704 VanDerWaalsContact CG-CE1 3.49Å; F226-F704 AromaticContact CG-CZ 3.83Å; F226-F704 HydrophobicContact CG-CZ 3.83Å; F226-F704 HydrophobicContact CZ-CZ 4.17Å; D447-F704 HydrophobicContact CB-CD2 3.68Å; D447-F704 HydrophobicContact CB-CE2 3.52Å; Y448-F704 HydrophobicContact CD2-CD1 4.46Å; Y448-F704 HydrophobicContact CD2-CE1 4.33Å; L686-F704 HydrophobicContact CD2-CE1 4.11Å; L686-F704 HydrophobicContact CD2-CE2 4.32Å; L686-F704 HydrophobicContact CD2-CZ 3.68Å; D702-F704 PolarHBondContact O-N 3.31Å; D702-F704 WeakPolarHBondContact OD1-CB 3.31Å; D702-F704 PolarHBondContact OD1-N 3.28Å |
| 705 | S | 97.2 | Very high | 96.7 | Very high | 25 Ų | 25 | 59.6 Ų | 59.6 | 18% | 0.175 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | -96.3 | 147.6 | 178.2 | -68.1 | 0 | 0 | 0 | 0 | 112 | E218 D702 N711 | E218-S705 CarbonylContact O-C 3.53Å; E218-S705 WeakPolarHBondContact O-CA 3.46Å; D702-S705 WeakPolarHBondContact OD2-CB 3.08Å; D702-S705 PolarHBondContact OD2-N 3.14Å; D702-S705 PolarHBondContact OD2-OG 3.28Å; S705-N711 WeakPolarHBondContact CB-ND2 3.13Å; S705-N711 PolarHBondContact O-ND2 3.13Å |
| 706 | V | 96.9 | Very high | 96.7 | Very high | 28 Ų | 28 | 58.8 Ų | 58.8 | 17% | 0.17 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -60 | 147.2 | 176.1 | -64 | 0 | 0 | 0 | 0 | 111.8 | T217 E218 Y219 P541 S708 N711 | T217-V706 VanDerWaalsContact O-CG2 3.25Å; T217-V706 WeakPolarHBondContact O-CG2 3.45Å; E218-V706 PolarHBondContact O-N 3.19Å; Y219-V706 VanDerWaalsContact C-CG1 3.48Å; Y219-V706 WeakPolarHBondContact O-CG1 3.34Å; P541-V706 HydrophobicContact CB-CG1 4.22Å; V706-S708 PolarHBondContact O-N 3.15Å; V706-N711 PolarHBondContact O-ND2 2.9Å |
| 707 | V | 95.8 | Very high | 96.6 | Very high | 57 Ų | 57 | 63.7 Ų | 63.7 | 35% | 0.345 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -62.9 | 122.6 | 172.3 | 179.6 | 0 | 0 | 0 | 0 | 109.1 | P700 N711 L713 | P700-V707 HydrophobicContact CB-CG2 4.39Å; V707-N711 WeakPolarHBondContact CA-O 3.49Å; V707-L713 HydrophobicContact CG1-CD2 4.37Å; V707-L713 HydrophobicContact CG1-CG 4.05Å; V707-L713 HydrophobicContact CG2-CD2 3.89Å; V707-L713 HydrophobicContact CG2-CG 4.45Å |
| 708 | S | 94.1 | Very high | 96.6 | Very high | 48 Ų | 48 | 63 Ų | 63 | 34% | 0.336 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -154.5 | 179 | -176.2 | 69.3 | 0 | 0 | 0 | 0 | 111.4 | V706 R710 N711 R712 | V706-S708 PolarHBondContact O-N 3.15Å; S708-R710 PolarHBondContact O-N 2.94Å; S708-R710 VanDerWaalsContact O-N 3.14Å; S708-R710 PolarHBondContact OG-N 2.84Å; S708-N711 PolarHBondContact N-O 3.04Å; S708-N711 CarbonylContact O-C 3.22Å; S708-N711 PolarHBondContact O-N 2.58Å; S708-N711 PolarHBondContact OG-N 2.89Å; S708-N711 VanDerWaalsContact OG-N 3.17Å; S708-R712 WeakPolarHBondContact O-CA 3.46Å; S708-R712 VanDerWaalsContact O-CG 3.3Å; S708-R712 WeakPolarHBondContact O-CG 3.43Å; S708-R712 PolarHBondContact O-N 3.44Å |
| 709 | N | 91.6 | Very high | 96.5 | Very high | 138 Ų | 138 | 62.4 Ų | 62.4 | 74% | 0.738 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -58.2 | -26 | 172.5 | -75.2 | -26.4 | 0 | 0 | 0 | 113.4 | R712 | N709-R712 PolarHBondContact O-NE 3.5Å; N709-R712 VanDerWaalsContact O-NE 3.1Å |
| 710 | R | 92.4 | Very high | 96.3 | Very high | 247 Ų | 247 | 66.3 Ų | 66.3 | 93% | 0.932 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -92.6 | -25.2 | 178.8 | -64.5 | -177.1 | -179.6 | 178 | 0.6 | 113.2 | S708 | S708-R710 PolarHBondContact O-N 2.94Å; S708-R710 VanDerWaalsContact O-N 3.14Å; S708-R710 PolarHBondContact OG-N 2.84Å |
| 711 | N | 96 | Very high | 96.2 | Very high | 13 Ų | 13 | 74.6 Ų | 74.6 | 7% | 0.07 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -126.2 | 71 | 175.4 | -172.8 | 32.5 | 0 | 0 | 0 | 109.5 | P700 R701 D702 S705 V706 V707 S708 | P700-N711 WeakPolarHBondContact CB-ND2 3.26Å; R701-N711 PolarHBondContact N-OD1 3.26Å; D702-N711 PolarHBondContact N-OD1 3.12Å; D702-N711 PolarHBondContact O-ND2 3.09Å; S705-N711 WeakPolarHBondContact CB-ND2 3.13Å; S705-N711 PolarHBondContact O-ND2 3.13Å; V706-N711 PolarHBondContact O-ND2 2.9Å; V707-N711 WeakPolarHBondContact CA-O 3.49Å; S708-N711 PolarHBondContact N-O 3.04Å; S708-N711 CarbonylContact O-C 3.22Å; S708-N711 PolarHBondContact O-N 2.58Å; S708-N711 PolarHBondContact OG-N 2.89Å; S708-N711 VanDerWaalsContact OG-N 3.17Å |
| 712 | R | 95.7 | Very high | 96.3 | Very high | 161 Ų | 161 | 68.4 Ų | 68.4 | 61% | 0.608 | 35% | 0.345 | S | S | * | . | trans | -74.7 | 154.3 | -177.3 | -61.9 | -179 | -174 | -168.9 | -4.8 | 110.5 | S708 N709 V714 | S708-R712 WeakPolarHBondContact O-CA 3.46Å; S708-R712 VanDerWaalsContact O-CG 3.3Å; S708-R712 WeakPolarHBondContact O-CG 3.43Å; S708-R712 PolarHBondContact O-N 3.44Å; N709-R712 PolarHBondContact O-NE 3.5Å; N709-R712 VanDerWaalsContact O-NE 3.1Å; R712-V714 PolarHBondContact O-N 3.4Å | ||
| 713 | L | 97.4 | Very high | 96.2 | Very high | 63 Ų | 63 | 70.6 Ų | 70.6 | 33% | 0.33 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 134 | 163.5 | -60.9 | 177.8 | 0 | 0 | 0 | 109.3 | Y503 V699 P700 V707 | Y503-L713 HydrophobicContact CD1-CD1 4.37Å; Y503-L713 HydrophobicContact CD1-CD2 4.42Å; Y503-L713 HydrophobicContact CD2-CD1 3.48Å; Y503-L713 VanDerWaalsContact CD2-CD1 3.48Å; Y503-L713 HydrophobicContact CD2-CD2 4.45Å; Y503-L713 HydrophobicContact CE1-CD2 3.91Å; Y503-L713 HydrophobicContact CE2-CD1 3.66Å; Y503-L713 HydrophobicContact CE2-CD2 3.94Å; Y503-L713 HydrophobicContact CE2-CG 4.45Å; Y503-L713 HydrophobicContact CG-CD1 3.85Å; V699-L713 CarbonylContact O-C 3.53Å; V699-L713 WeakPolarHBondContact O-CA 3.5Å; P700-L713 HydrophobicContact CB-CD2 4.43Å; V707-L713 HydrophobicContact CG1-CD2 4.37Å; V707-L713 HydrophobicContact CG1-CG 4.05Å; V707-L713 HydrophobicContact CG2-CD2 3.89Å; V707-L713 HydrophobicContact CG2-CG 4.45Å |
| 714 | V | 97.7 | Very high | 96.2 | Very high | 19 Ų | 19 | 71.1 Ų | 71.1 | 12% | 0.115 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 150.8 | 176.1 | -61.8 | 0 | 0 | 0 | 0 | 109.7 | S698 V699 R701 R712 L719 | S698-V714 VanDerWaalsContact CA-O 3.23Å; S698-V714 WeakPolarHBondContact CA-O 3.33Å; V699-V714 PolarHBondContact N-O 2.81Å; V699-V714 WeakPolarHBondContact O-CG2 3.44Å; V699-V714 PolarHBondContact O-N 3.21Å; R701-V714 HydrophobicContact CG-CG1 3.87Å; R701-V714 HydrophobicContact CG-CG2 3.86Å; R712-V714 PolarHBondContact O-N 3.4Å; V714-L719 HydrophobicContact CG2-CD1 4.45Å; V714-L719 HydrophobicContact CG2-CD2 3.84Å; V714-L719 HydrophobicContact CG2-CG 4.13Å |
| 715 | Q | 98.3 | Very high | 96.2 | Very high | 103 Ų | 103 | 76.2 Ų | 76.2 | 48% | 0.481 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 137.3 | 175.6 | -65.2 | -62.3 | -19.7 | 0 | 0 | 110.1 | T697 S698 S717 T718 | T697-Q715 WeakPolarHBondContact O-CA 3.46Å; T697-Q715 PolarHBondContact O-OE1 3.36Å; T697-Q715 VanDerWaalsContact O-OE1 3.05Å; S698-Q715 VanDerWaalsContact OG-CD 3.26Å; S698-Q715 PolarHBondContact OG-NE2 3.03Å; S698-Q715 VanDerWaalsContact OG-NE2 3.15Å; S698-Q715 PolarHBondContact OG-OE1 3.23Å; S698-Q715 VanDerWaalsContact OG-OE1 3.09Å; Q715-S717 PolarHBondContact O-N 2.82Å; Q715-S717 VanDerWaalsContact O-N 3.15Å; Q715-T718 HydrophobicContact CB-CG2 4.28Å; Q715-T718 WeakPolarHBondContact O-CB 3.41Å; Q715-T718 PolarHBondContact O-N 3.46Å; Q715-T718 PolarHBondContact O-OG1 2.84Å |
| 716 | C | 98.3 | Very high | 96.1 | Very high | 15 Ų | 15 | 76.3 Ų | 76.3 | 10% | 0.101 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -56.9 | -30.3 | 179.2 | -77.9 | 0 | 0 | 0 | 0 | 112.6 | R688 C691 I696 T697 T718 L719 | R688-C716 PolarHBondContact NH1-O 3.37Å; C691-C716 HydrophobicContact CB-CB 3.55Å; C691-C716 WeakPolarHBondContact CB-SG 3.19Å; C691-C716 VanDerWaalsContact SG-CA 3.53Å; C691-C716 WeakPolarHBondContact SG-CB 3.48Å; C691-C716 CovalentContact SG-SG 2.03Å; C691-C716 PolarHBondContact SG-SG 3Å; I696-C716 PolarHBondContact O-SG 3.45Å; T697-C716 WeakPolarHBondContact O-CB 3.41Å; T697-C716 PolarHBondContact O-N 3.16Å; T697-C716 PolarHBondContact O-SG 2.76Å; T697-C716 VanDerWaalsContact O-SG 3.4Å; C716-T718 PolarHBondContact O-N 3.09Å; C716-L719 PolarHBondContact O-N 3.49Å |
| 717 | S | 97.6 | Very high | 96.2 | Very high | 110 Ų | 110 | 75.2 Ų | 75.2 | 77% | 0.769 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -60.9 | -24 | 174.9 | 53.4 | 0 | 0 | 0 | 0 | 113.6 | Q715 | Q715-S717 PolarHBondContact O-N 2.82Å; Q715-S717 VanDerWaalsContact O-N 3.15Å |
| 718 | T | 96.9 | Very high | 96.2 | Very high | 78 Ų | 78 | 80.3 Ų | 80.3 | 48% | 0.479 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -86.4 | -9.5 | -179.9 | 70.5 | 0 | 0 | 0 | 0 | 113.8 | Q715 C716 | Q715-T718 HydrophobicContact CB-CG2 4.28Å; Q715-T718 WeakPolarHBondContact O-CB 3.41Å; Q715-T718 PolarHBondContact O-N 3.46Å; Q715-T718 PolarHBondContact O-OG1 2.84Å; C716-T718 PolarHBondContact O-N 3.09Å |
| 719 | L | 96.7 | Very high | 96.2 | Very high | 12 Ų | 12 | 82.4 Ų | 82.4 | 6% | 0.063 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -91.3 | 125 | 179.4 | -65.3 | -175.9 | 0 | 0 | 0 | 110.3 | R688 V699 V714 C716 R721 | R688-L719 WeakPolarHBondContact CD-O 3.28Å; R688-L719 PolarHBondContact NH1-O 2.93Å; V699-L719 HydrophobicContact CG2-CD1 3.48Å; V699-L719 VanDerWaalsContact CG2-CD1 3.48Å; V714-L719 HydrophobicContact CG2-CD1 4.45Å; V714-L719 HydrophobicContact CG2-CD2 3.84Å; V714-L719 HydrophobicContact CG2-CG 4.13Å; C716-L719 PolarHBondContact O-N 3.49Å; L719-R721 PolarHBondContact O-N 3.49Å |
| 720 | P | 95.1 | Very high | 95.7 | Very high | 81 Ų | 81 | 80.2 Ų | 80.2 | 53% | 0.526 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 136.7 | -176.9 | 27.1 | -34.6 | 0 | 0 | 0 | 110.8 | R688 | R688-P720 WeakPolarHBondContact CD-O 3.49Å; R688-P720 VanDerWaalsContact CG-O 3.27Å; R688-P720 WeakPolarHBondContact CG-O 3.43Å |
| 721 | R | 95.4 | Very high | 94.1 | Very high | 174 Ų | 174 | 74.1 Ų | 74.1 | 66% | 0.657 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -80.8 | 156.5 | 172.1 | -65.5 | -177.7 | 177.8 | -177.8 | 1 | 110.2 | D692 L719 N723 | D692-R721 IonicContact OD1-NE 3.91Å; L719-R721 PolarHBondContact O-N 3.49Å; R721-N723 PolarHBondContact O-N 2.95Å |
| 722 | L | 96.3 | Very high | 91.8 | Very high | 16 Ų | 16 | 78 Ų | 78 | 8% | 0.084 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 123.7 | 168.3 | 176.9 | 69 | 0 | 0 | 0 | 109 | L412 I435 Y439 A680 L681 V684 L724 W727 | L412-L722 HydrophobicContact CD2-CD2 4.2Å; I435-L722 HydrophobicContact CG2-CD2 3.85Å; Y439-L722 HydrophobicContact CE1-CD2 3.93Å; Y439-L722 WeakPolarHBondContact OH-CB 3.47Å; Y439-L722 WeakPolarHBondContact OH-CD2 3.35Å; A680-L722 HydrophobicContact CB-CD1 3.75Å; A680-L722 WeakPolarHBondContact O-CD1 3.15Å; L681-L722 HydrophobicContact CD2-CD1 4.45Å; V684-L722 HydrophobicContact CG1-CB 4.2Å; V684-L722 HydrophobicContact CG1-CD1 3.75Å; L722-L724 HydrophobicContact CD2-CD2 3.45Å; L722-L724 VanDerWaalsContact CD2-CD2 3.45Å; L722-L724 HydrophobicContact CD2-CG 4.17Å; L722-L724 HydrophobicContact CG-CD2 4.13Å; L722-L724 HydrophobicContact CG-CG 4.43Å; L722-L724 PolarHBondContact O-N 3.13Å; L722-L724 VanDerWaalsContact O-N 3.17Å; L722-W727 HydrophobicContact CD1-CZ3 4.48Å |
| 723 | N | 95.9 | Very high | 89.2 | Confident | 90 Ų | 90 | 78.6 Ų | 78.6 | 48% | 0.481 | 42% | 0.42 | S | S | . | . | trans | -79 | 97.6 | 173 | -175.7 | 0.8 | 0 | 0 | 0 | 110.4 | R721 L725 | R721-N723 PolarHBondContact O-N 2.95Å; N723-L725 VanDerWaalsContact C-N 3.26Å; N723-L725 PolarHBondContact O-N 2.97Å; N723-L725 VanDerWaalsContact OD1-CB 3.26Å; N723-L725 WeakPolarHBondContact OD1-CB 3.44Å; N723-L725 WeakPolarHBondContact OD1-CG 3.23Å; N723-L725 PolarHBondContact OD1-N 3.39Å; N723-L725 VanDerWaalsContact OD1-N 3.08Å | ||
| 724 | L | 97.6 | Very high | 86.5 | Confident | 13 Ų | 13 | 83.2 Ų | 83.2 | 7% | 0.068 | 45% | 0.445 | C | S | . | . | G | 310 helix | trans | -74.9 | -7.7 | 179.7 | -73.3 | 177.7 | 0 | 0 | 0 | 114.4 | L412 Q415 L416 L419 I435 L722 A726 W727 | L412-L724 HydrophobicContact CD2-CD1 4.16Å; L412-L724 HydrophobicContact CD2-CD2 4.07Å; Q415-L724 HydrophobicContact CB-CD1 3.53Å; Q415-L724 HydrophobicContact CG-CD1 4.43Å; L416-L724 HydrophobicContact CD2-CD2 4.25Å; L419-L724 HydrophobicContact CD2-CB 4.35Å; L419-L724 WeakPolarHBondContact CD2-O 3.05Å; I435-L724 HydrophobicContact CD1-CD2 3.89Å; L722-L724 HydrophobicContact CD2-CD2 3.45Å; L722-L724 VanDerWaalsContact CD2-CD2 3.45Å; L722-L724 HydrophobicContact CD2-CG 4.17Å; L722-L724 HydrophobicContact CG-CD2 4.13Å; L722-L724 HydrophobicContact CG-CG 4.43Å; L722-L724 PolarHBondContact O-N 3.13Å; L722-L724 VanDerWaalsContact O-N 3.17Å; L724-A726 PolarHBondContact O-N 3.43Å; L724-W727 HydrophobicContact CD2-CD2 4.49Å; L724-W727 HydrophobicContact CD2-CE3 4.14Å; L724-W727 WeakPolarHBondContact O-CB 3.23Å; L724-W727 PolarHBondContact O-N 3.29Å |
| 725 | L | 96.7 | Very high | 83.4 | Confident | 110 Ų | 110 | 86.7 Ų | 86.7 | 58% | 0.576 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -58 | -24.6 | 177.7 | -64.7 | 176.4 | 0 | 0 | 0 | 112.7 | L419 N723 W727 R728 | L419-L725 HydrophobicContact CD1-CD2 3.92Å; N723-L725 VanDerWaalsContact C-N 3.26Å; N723-L725 PolarHBondContact O-N 2.97Å; N723-L725 VanDerWaalsContact OD1-CB 3.26Å; N723-L725 WeakPolarHBondContact OD1-CB 3.44Å; N723-L725 WeakPolarHBondContact OD1-CG 3.23Å; N723-L725 PolarHBondContact OD1-N 3.39Å; N723-L725 VanDerWaalsContact OD1-N 3.08Å; L725-W727 PolarHBondContact O-N 3.24Å; L725-W727 VanDerWaalsContact O-N 3.17Å; L725-R728 WeakPolarHBondContact O-CB 3.04Å; L725-R728 PolarHBondContact O-N 3.44Å; L725-R728 VanDerWaalsContact O-N 3.09Å |
| 726 | A | 96.1 | Very high | 80.4 | Confident | 27 Ų | 27 | 88.7 Ų | 88.7 | 22% | 0.223 | 48% | 0.483 | C | S | . | . | G | 310 helix | trans | -66.4 | -8.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q676 Q677 L724 | Q676-A726 HydrophobicContact CB-CB 3.98Å; Q677-A726 HydrophobicContact CG-CB 3.9Å; Q677-A726 VanDerWaalsContact CG-O 3.27Å; Q677-A726 WeakPolarHBondContact CG-O 3.33Å; Q677-A726 PolarHBondContact NE2-O 2.89Å; L724-A726 PolarHBondContact O-N 3.43Å |
| 727 | W | 97.8 | Very high | 77.8 | Confident | 5 Ų | 5 | 93.7 Ų | 93.7 | 2% | 0.019 | 52% | 0.518 | C | S | . | . | G | 310 helix | trans | -104.9 | 4.1 | 173.3 | -78.8 | -103.6 | 0 | 0 | 0 | 113.3 | L416 N420 W423 E431 I435 F673 Q677 A680 L681 L722 L724 L725 E729 | L416-W727 HydrophobicContact CD2-CB 3.76Å; L416-W727 HydrophobicContact CD2-CG 4.16Å; N420-W727 PolarHBondContact ND2-O 3.16Å; W423-W727 HydrophobicContact CH2-CB 4.43Å; E431-W727 PolarHBondContact OE2-NE1 3.22Å; I435-W727 HydrophobicContact CD1-CD2 4.12Å; I435-W727 HydrophobicContact CD1-CG 4.4Å; I435-W727 HydrophobicContact CD1-CZ2 4.06Å; I435-W727 HydrophobicContact CG1-CZ2 3.7Å; F673-W727 AromaticContact CD1-CZ2 3.73Å; F673-W727 HydrophobicContact CD1-CZ2 3.73Å; F673-W727 AromaticContact CE1-CZ2 3.64Å; F673-W727 HydrophobicContact CE1-CZ2 3.64Å; Q677-W727 HydrophobicContact CB-CH2 3.55Å; Q677-W727 HydrophobicContact CB-CZ2 3.68Å; Q677-W727 HydrophobicContact CB-CZ3 4.03Å; Q677-W727 HydrophobicContact CG-CD2 3.76Å; Q677-W727 HydrophobicContact CG-CE3 3.84Å; Q677-W727 HydrophobicContact CG-CG 4.49Å; Q677-W727 HydrophobicContact CG-CH2 3.68Å; Q677-W727 HydrophobicContact CG-CZ2 3.62Å; Q677-W727 HydrophobicContact CG-CZ3 3.8Å; A680-W727 HydrophobicContact CB-CZ3 4.1Å; L681-W727 HydrophobicContact CD1-CH2 4.18Å; L681-W727 HydrophobicContact CD1-CZ2 4.28Å; L681-W727 HydrophobicContact CD2-CH2 4.36Å; L681-W727 HydrophobicContact CG-CH2 3.97Å; L681-W727 HydrophobicContact CG-CZ2 4.48Å; L722-W727 HydrophobicContact CD1-CZ3 4.48Å; L724-W727 HydrophobicContact CD2-CD2 4.49Å; L724-W727 HydrophobicContact CD2-CE3 4.14Å; L724-W727 WeakPolarHBondContact O-CB 3.23Å; L724-W727 PolarHBondContact O-N 3.29Å; L725-W727 PolarHBondContact O-N 3.24Å; L725-W727 VanDerWaalsContact O-N 3.17Å; W727-E729 PolarHBondContact O-N 3.27Å |
| 728 | R | 97 | Very high | 75.1 | Confident | 163 Ų | 163 | 91.5 Ų | 91.5 | 62% | 0.615 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -69.4 | 126.6 | 177.3 | -168.1 | 178.5 | -177.6 | -179.1 | -0.7 | 110.2 | L419 N420 L725 | L419-R728 HydrophobicContact CD1-CB 3.88Å; L419-R728 HydrophobicContact CD1-CG 3.81Å; L419-R728 HydrophobicContact CD2-CB 3.98Å; L419-R728 HydrophobicContact CG-CB 3.88Å; L419-R728 HydrophobicContact CG-CG 4.03Å; N420-R728 WeakPolarHBondContact OD1-CA 3.42Å; L725-R728 WeakPolarHBondContact O-CB 3.04Å; L725-R728 PolarHBondContact O-N 3.44Å; L725-R728 VanDerWaalsContact O-N 3.09Å |
| 729 | E | 93.4 | Very high | 72.2 | Confident | 93 Ų | 93 | 93 Ų | 93 | 44% | 0.435 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -102.2 | 122.7 | 168.6 | -71.9 | -179.5 | -179.4 | 0 | 0 | 108.9 | N420 Q422 W423 W727 | N420-E729 PolarHBondContact OD1-N 3.08Å; Q422-E729 PolarHBondContact NE2-O 2.92Å; W423-E729 HydrophobicContact CZ2-CG 4Å; W423-E729 VanDerWaalsContact NE1-CD 3.33Å; W423-E729 PolarHBondContact NE1-OE2 2.78Å; W727-E729 PolarHBondContact O-N 3.27Å |
| 730 | T | 80.9 | Confident | 69.5 | Low | 91 Ų | 91 | 98.5 Ų | 98.5 | 56% | 0.558 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 133.6 | 174.7 | 46.7 | 0 | 0 | 0 | 0 | 110.2 | S732 | T730-S732 PolarHBondContact O-N 3.47Š|
| 731 | T | 59.1 | Low | 66.8 | Low | 120 Ų | 120 | 99 Ų | 99 | 74% | 0.736 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -61.4 | -0.8 | -179.3 | 16.2 | 0 | 0 | 0 | 0 | 115.4 | M733 | T731-M733 VanDerWaalsContact C-N 3.32Å; T731-M733 PolarHBondContact O-N 3.35Å |
| 732 | S | 48.2 | Very low | 63.9 | Low | 93 Ų | 93 | 94.4 Ų | 94.4 | 65% | 0.65 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -81.6 | 6.6 | -172.5 | 58.8 | 0 | 0 | 0 | 0 | 115.9 | T730 | T730-S732 PolarHBondContact O-N 3.47Š|
| 733 | M | 40.9 | Very low | 60.8 | Low | 174 Ų | 174 | 98.7 Ų | 98.7 | 86% | 0.857 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -109.9 | 10.1 | 179.6 | -71 | -163.9 | 174.6 | 0 | 0 | 115.5 | T731 C735 | T731-M733 VanDerWaalsContact C-N 3.32Å; T731-M733 PolarHBondContact O-N 3.35Å; M733-C735 VanDerWaalsContact C-N 3.32Å; M733-C735 PolarHBondContact O-N 2.85Å |
| 734 | L | 39.6 | Very low | 57.8 | Low | 161 Ų | 161 | 102.7 Ų | 102.7 | 84% | 0.843 | 63% | 0.634 | S | S | * | * | trans | -95.7 | 59.5 | 164.6 | -74.8 | 163.4 | 0 | 0 | 0 | 110.1 | ||||
| 735 | C | 33.9 | Very low | 54.5 | Low | 91 Ų | 91 | 110.9 Ų | 110.9 | 62% | 0.615 | 67% | 0.672 | S | S | * | * | trans | -125.3 | 93 | 157.7 | -76.7 | 0 | 0 | 0 | 0 | 105.5 | M733 | M733-C735 VanDerWaalsContact C-N 3.32Å; M733-C735 PolarHBondContact O-N 2.85Å | ||
| 736 | D | 35.4 | Very low | 51.3 | Low | 146 Ų | 146 | 111.1 Ų | 111.1 | 78% | 0.781 | 68% | 0.683 | S | S | * | * | trans | -59.5 | 138.8 | 178.7 | -160.2 | 2.9 | 0 | 0 | 0 | 109.8 | G738 | D736-G738 PolarHBondContact O-N 3.35Š| ||
| 737 | S | 42.3 | Very low | 48.3 | Very low | 120 Ų | 120 | 114.7 Ų | 114.7 | 84% | 0.839 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -65.9 | 81.7 | 171.6 | 45.8 | 0 | 0 | 0 | 0 | 109.2 | ||
| 738 | G | 42.8 | Very low | 45.2 | Very low | 64 Ų | 64 | 122.2 Ų | 122.2 | 66% | 0.66 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 179.3 | 26 | -172.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | D736 | D736-G738 PolarHBondContact O-N 3.35Š|
| 739 | S | 35.9 | Very low | 42.2 | Very low | 108 Ų | 108 | 118.2 Ų | 118.2 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | trans | 177.4 | 129.2 | 146.8 | 51.5 | 0 | 0 | 0 | 0 | 110 | A741 | S739-A741 PolarHBondContact O-N 3.19Å; S739-A741 VanDerWaalsContact O-N 3.09Å | ||
| 740 | S | 38.9 | Very low | 39.2 | Very low | 128 Ų | 128 | 123 Ų | 123 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | trans | -75.6 | 87.4 | 169.9 | 52.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 741 | A | 39.2 | Very low | 36.7 | Very low | 91 Ų | 91 | 125.7 Ų | 125.7 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | trans | -169.1 | 113.6 | 155.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S739 | S739-A741 PolarHBondContact O-N 3.19Å; S739-A741 VanDerWaalsContact O-N 3.09Å | ||
| 742 | G | 34.4 | Very low | 35.6 | Very low | 78 Ų | 78 | 125.8 Ų | 125.8 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 95 | 66 | 149.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 743 | C | 30.4 | Very low | 34.9 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 72% | 0.723 | 80% | 0.797 | S | S | * | * | trans | -97.7 | 104.8 | 151.3 | -67.8 | 0 | 0 | 0 | 0 | 107.5 | E745 | C743-E745 PolarHBondContact O-N 2.87Š| ||
| 744 | L | 32.6 | Very low | 34.4 | Very low | 174 Ų | 174 | 127.1 Ų | 127.1 | 91% | 0.911 | 80% | 0.795 | S | S | * | * | trans | -78.6 | 111.8 | 168.9 | -79.5 | 164 | 0 | 0 | 0 | 107.9 | S746 | L744-S746 PolarHBondContact O-N 3.3Š| ||
| 745 | E | 29.6 | Very low | 34.2 | Very low | 184 Ų | 184 | 126 Ų | 126 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -61 | 120 | 163.8 | -73.3 | 179.5 | 152 | 0 | 0 | 108.5 | C743 S747 | C743-E745 PolarHBondContact O-N 2.87Å; E745-S747 PolarHBondContact O-N 2.85Å | ||
| 746 | S | 29.3 | Very low | 34.2 | Very low | 115 Ų | 115 | 129 Ų | 129 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -85.1 | 99.3 | 154.6 | 37.3 | 0 | 0 | 0 | 0 | 106.7 | L744 D748 | L744-S746 PolarHBondContact O-N 3.3Å; S746-D748 PolarHBondContact O-N 2.92Å | ||
| 747 | S | 33.4 | Very low | 34 | Very low | 103 Ų | 103 | 129.9 Ų | 129.9 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | trans | -72.3 | 103.4 | 164.1 | 57.3 | 0 | 0 | 0 | 0 | 108.3 | E745 | E745-S747 PolarHBondContact O-N 2.85Š| ||
| 748 | D | 32.4 | Very low | 33.7 | Very low | 163 Ų | 163 | 132.6 Ų | 132.6 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | -123.8 | 106 | 152.3 | -80.3 | -39.1 | 0 | 0 | 0 | 107.4 | S746 | S746-D748 PolarHBondContact O-N 2.92Š| ||
| 749 | G | 34 | Very low | 33.2 | Very low | 78 Ų | 78 | 137 Ų | 137 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -81.6 | 127.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 750 | E | 30.2 | Very low | 33.2 | Very low | 195 Ų | 195 | 139.5 Ų | 139.5 | 91% | 0.911 | 82% | 0.822 | S | S | * | * | trans | -135.2 | 142.2 | 153.5 | -81.8 | -167.7 | 148.5 | 0 | 0 | 110.4 | ||||
| 751 | N | 28.3 | Very low | 33 | Very low | 147 Ų | 147 | 141.9 Ų | 141.9 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | trans | -63 | 158.1 | -168.5 | -88 | -40.4 | 0 | 0 | 0 | 115 | T753 | N751-T753 PolarHBondContact O-N 3.35Å; N751-T753 VanDerWaalsContact O-N 3.14Å | ||
| 752 | P | 36.2 | Very low | 32.5 | Very low | 122 Ų | 122 | 145 Ų | 145 | 79% | 0.792 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -85.8 | 83.4 | -179.4 | 35.1 | -32.3 | 0 | 0 | 0 | 111.5 | ||
| 753 | T | 32.6 | Very low | 32.6 | Very low | 124 Ų | 124 | 146.8 Ų | 146.8 | 76% | 0.761 | 82% | 0.824 | S | S | * | * | trans | -151.4 | 82.3 | 165.3 | 46.3 | 0 | 0 | 0 | 0 | 111.4 | N751 | N751-T753 PolarHBondContact O-N 3.35Å; N751-T753 VanDerWaalsContact O-N 3.14Å | ||
| 754 | Q | 30.4 | Very low | 32.8 | Very low | 171 Ų | 171 | 149.3 Ų | 149.3 | 80% | 0.799 | 83% | 0.83 | S | S | * | * | trans | -169.4 | 69.1 | 151.7 | -111.8 | 174.1 | 9.9 | 0 | 0 | 109.9 | ||||
| 755 | T | 35.8 | Very low | 32.7 | Very low | 136 Ų | 136 | 148.7 Ų | 148.7 | 83% | 0.834 | 83% | 0.828 | S | S | * | * | trans | -100.1 | 81.5 | 157.8 | 47.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 756 | D | 33.2 | Very low | 32.7 | Very low | 156 Ų | 156 | 148.6 Ų | 148.6 | 83% | 0.834 | 83% | 0.832 | S | S | * | * | S | Bend | trans | 171.5 | 62.9 | 156.6 | -92.6 | -20.3 | 0 | 0 | 0 | 110.1 | ||
| 757 | E | 32.7 | Very low | 32.8 | Very low | 164 Ų | 164 | 151.6 Ų | 151.6 | 77% | 0.766 | 83% | 0.834 | S | S | * | * | trans | -163.6 | 60.1 | 165.6 | -115.9 | 169.9 | -148 | 0 | 0 | 111.5 | ||||
| 758 | L | 34.5 | Very low | 32.5 | Very low | 176 Ų | 176 | 154.3 Ų | 154.3 | 92% | 0.921 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -141.8 | 21.1 | 166.9 | -120.1 | 120.4 | 0 | 0 | 0 | 113.7 | ||
| 759 | N | 34 | Very low | 32.2 | Very low | 158 Ų | 158 | 151.4 Ų | 151.4 | 85% | 0.845 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -118.6 | 0.6 | -178.4 | -88.3 | -22.2 | 0 | 0 | 0 | 115.9 | ||
| 760 | N | 35.5 | Very low | 32 | Very low | 160 Ų | 160 | 156 Ų | 156 | 86% | 0.856 | 84% | 0.843 | S | S | * | * | trans | -141.5 | 103.4 | 173.7 | -85.5 | -23.1 | 0 | 0 | 0 | 110.7 | ||||
| 761 | L | 33.4 | Very low | 31.9 | Very low | 178 Ų | 178 | 154 Ų | 154 | 93% | 0.932 | 84% | 0.839 | S | S | * | * | trans | -126.3 | 111.5 | 154.1 | -75.1 | 171.7 | 0 | 0 | 0 | 106.9 | ||||
| 762 | D | 30.5 | Very low | 32 | Very low | 155 Ų | 155 | 152.8 Ų | 152.8 | 83% | 0.829 | 84% | 0.839 | S | S | * | * | trans | -71.1 | 150.7 | 170.8 | -114.8 | -24.4 | 0 | 0 | 0 | 110 | L764 | D762-L764 PolarHBondContact O-N 3.16Š| ||
| 763 | P | 35.5 | Very low | 31.7 | Very low | 116 Ų | 116 | 153.9 Ų | 153.9 | 75% | 0.753 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -95.6 | 81.2 | -174.6 | 35.7 | -29.5 | 0 | 0 | 0 | 111.4 | ||
| 764 | L | 35.4 | Very low | 31.4 | Very low | 160 Ų | 160 | 154.7 Ų | 154.7 | 84% | 0.838 | 84% | 0.843 | S | S | * | * | trans | -150.2 | 91.4 | 165.8 | -91.3 | 167.2 | 0 | 0 | 0 | 108.6 | D762 | D762-L764 PolarHBondContact O-N 3.16Š| ||
| 765 | D | 29.2 | Very low | 31.3 | Very low | 162 Ų | 162 | 152.4 Ų | 152.4 | 87% | 0.866 | 84% | 0.843 | S | S | * | * | trans | 175.5 | 95.4 | 143.2 | -93.4 | -16 | 0 | 0 | 0 | 108.5 | ||||
| 766 | L | 30.6 | Very low | 30.9 | Very low | 181 Ų | 181 | 152.2 Ų | 152.2 | 95% | 0.948 | 84% | 0.841 | S | S | * | * | trans | -150.7 | 72.3 | 163 | -104.9 | 157.4 | 0 | 0 | 0 | 106.5 | ||||
| 767 | Q | 30.2 | Very low | 30.6 | Very low | 179 Ų | 179 | 151.5 Ų | 151.5 | 84% | 0.836 | 84% | 0.838 | S | S | * | * | trans | -129 | 135.7 | 158.2 | -115.5 | 154.9 | 10.1 | 0 | 0 | 107.6 | ||||
| 768 | D | 27.3 | Very low | 30.5 | Very low | 159 Ų | 159 | 149.6 Ų | 149.6 | 85% | 0.85 | 84% | 0.837 | S | S | * | * | trans | 79.7 | 93.9 | 171.6 | -54.3 | -20.6 | 0 | 0 | 0 | 118.2 | ||||
| 769 | A | 26.3 | Very low | 30.1 | Very low | 102 Ų | 102 | 149.9 Ų | 149.9 | 84% | 0.843 | 83% | 0.833 | S | S | * | * | -176.5 | 96.4 | 117.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 770 | L | 30.7 | Very low | 29.7 | Very low | 174 Ų | 174 | 145.3 Ų | 145.3 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | trans | -110.8 | 108.1 | 162.7 | -82.4 | 167.8 | 0 | 0 | 0 | 106.8 | ||||
| 771 | D | 27.1 | Very low | 29.3 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -106.4 | 137.1 | 158.1 | -81.5 | -34.2 | 0 | 0 | 0 | 108.9 | ||||
| 772 | P | 30.3 | Very low | 29 | Very low | 122 Ų | 122 | 143.4 Ų | 143.4 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | trans | -82.1 | 135 | -178 | 31.9 | -30.7 | 0 | 0 | 0 | 110.9 | ||||
| 773 | V | 30.2 | Very low | 28.7 | Very low | 145 Ų | 145 | 142.6 Ų | 142.6 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | trans | -108.1 | 125.3 | 166.8 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 774 | D | 26.5 | Very low | 28.3 | Very low | 142 Ų | 142 | 144.6 Ų | 144.6 | 76% | 0.759 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 155 | -179.2 | -78.2 | -44.8 | 0 | 0 | 0 | 114 | ||
| 775 | P | 29 | Very low | 27.6 | Very low | 123 Ų | 123 | 145.2 Ų | 145.2 | 80% | 0.799 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 126 | -176.6 | 29.3 | -32.3 | 0 | 0 | 0 | 112.4 | ||
| 776 | V | 27.1 | Very low | 27.5 | Very low | 131 Ų | 131 | 146.5 Ų | 146.5 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 119.4 | 168.4 | 179.3 | 0 | 0 | 0 | 0 | 109.4 | V778 | V776-V778 HydrophobicContact CG1-CG2 3.91Š|
| 777 | N | 27.1 | Very low | 27.2 | Very low | 141 Ų | 141 | 143.6 Ų | 143.6 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -89 | 126.1 | 173.7 | -162.3 | 3 | 0 | 0 | 0 | 109 | ||
| 778 | V | 29.6 | Very low | 26.8 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | trans | -127.6 | 102.8 | 174.6 | -167.8 | 0 | 0 | 0 | 0 | 109.5 | V776 | V776-V778 HydrophobicContact CG1-CG2 3.91Š| ||
| 779 | H | 26.5 | Very low | 26.6 | Very low | 183 Ų | 183 | 142.6 Ų | 142.6 | 85% | 0.847 | 81% | 0.811 | S | S | * | * | trans | -95.4 | 128.6 | 159.3 | -92.2 | -65.6 | 0 | 0 | 0 | 108.9 | ||||
| 780 | G | 26.2 | Very low | 26.6 | Very low | 61 Ų | 61 | 145 Ų | 145 | 63% | 0.629 | 81% | 0.808 | S | S | * | * | trans | 175 | 130.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 781 | P | 26.7 | Very low | 26.1 | Very low | 136 Ų | 136 | 145.4 Ų | 145.4 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | -84.7 | 140.2 | -171.9 | 33.8 | -31.5 | 0 | 0 | 0 | 111.5 | ||||
| 782 | L | 26.6 | Very low | 26 | Very low | 162 Ų | 162 | 146.6 Ų | 146.6 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | trans | -108.8 | 117.1 | 171.1 | -105.5 | 131.8 | 0 | 0 | 0 | 109.3 | ||||
| 783 | D | 24.5 | Very low | 25.8 | Very low | 138 Ų | 138 | 146.9 Ų | 146.9 | 74% | 0.738 | 81% | 0.808 | S | S | * | * | trans | -86.5 | 129.4 | 174.1 | -160.9 | 4.7 | 0 | 0 | 0 | 108.7 | ||||
| 784 | L | 26.6 | Very low | 25.3 | Very low | 159 Ų | 159 | 146.1 Ų | 146.1 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -131 | 108.6 | 175.3 | -76.8 | 172 | 0 | 0 | 0 | 108.3 | ||||
| 785 | Q | 21.9 | Very low | 25.3 | Very low | 172 Ų | 172 | 147.2 Ų | 147.2 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -93.2 | 136.8 | 171.1 | -81.7 | 179.4 | -19 | 0 | 0 | 111.4 | ||||
| 786 | E | 25.6 | Very low | 25.1 | Very low | 189 Ų | 189 | 146.9 Ų | 146.9 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | 92.3 | 144.1 | 156.4 | -73 | -163 | 174.9 | 0 | 0 | 121.9 | ||||
| 787 | P | 24.5 | Very low | 25.2 | Very low | 120 Ų | 120 | 149.5 Ų | 149.5 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | trans | -113.5 | 148.2 | -131.7 | 37.7 | -27.1 | 0 | 0 | 0 | 114.9 | ||||
| 788 | L | 22.9 | Very low | 25.3 | Very low | 163 Ų | 163 | 151.6 Ų | 151.6 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -98.7 | 128.3 | 165.3 | -113.4 | 98.8 | 0 | 0 | 0 | 110.3 | ||||
| 789 | D | 23.4 | Very low | 25.2 | Very low | 154 Ų | 154 | 151.1 Ų | 151.1 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | trans | -76.1 | 120 | 177.3 | -157.4 | 0.5 | 0 | 0 | 0 | 110.5 | ||||
| 790 | L | 24.8 | Very low | 25.1 | Very low | 152 Ų | 152 | 149.6 Ų | 149.6 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | trans | -131 | 103.1 | 178.6 | -79.5 | 169.2 | 0 | 0 | 0 | 109.4 | ||||
| 791 | Q | 22 | Very low | 25.1 | Very low | 183 Ų | 183 | 153.8 Ų | 153.8 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | trans | -99.3 | 100.7 | 158.7 | -79.1 | -177 | -11.9 | 0 | 0 | 109.1 | ||||
| 792 | E | 23.7 | Very low | 25.3 | Very low | 179 Ų | 179 | 154.7 Ų | 154.7 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 170.3 | 142.2 | 132.1 | -94.6 | -176.5 | -179.8 | 0 | 0 | 109.9 | ||
| 793 | P | 25.8 | Very low | 25.4 | Very low | 127 Ų | 127 | 155.5 Ų | 155.5 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -76.3 | 134.2 | -157.2 | 27.5 | -33.1 | 0 | 0 | 0 | 114.5 | ||||
| 794 | L | 21.3 | Very low | 25.4 | Very low | 129 Ų | 129 | 156.5 Ų | 156.5 | 68% | 0.675 | 81% | 0.81 | S | S | * | * | trans | -58.6 | 142.2 | 162.4 | -75 | 90.3 | 0 | 0 | 0 | 110.6 | L796 | L794-L796 HydrophobicContact CB-CD1 4.49Å; L794-L796 HydrophobicContact CB-CG 4.18Å; L794-L796 HydrophobicContact CD2-CD1 3.74Å; L794-L796 HydrophobicContact CD2-CD2 3.95Å; L794-L796 HydrophobicContact CD2-CG 3.57Å | ||
| 795 | D | 25.5 | Very low | 25.6 | Very low | 166 Ų | 166 | 154.1 Ų | 154.1 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | -111.4 | 87.7 | 152.5 | -147.2 | 4.5 | 0 | 0 | 0 | 106.6 | ||||
| 796 | L | 23.9 | Very low | 25.9 | Very low | 116 Ų | 116 | 153.2 Ų | 153.2 | 61% | 0.607 | 81% | 0.805 | S | S | * | * | trans | -67 | 149.9 | 172.5 | -84 | 161.6 | 0 | 0 | 0 | 109.3 | L794 E798 | L794-L796 HydrophobicContact CB-CD1 4.49Å; L794-L796 HydrophobicContact CB-CG 4.18Å; L794-L796 HydrophobicContact CD2-CD1 3.74Å; L794-L796 HydrophobicContact CD2-CD2 3.95Å; L794-L796 HydrophobicContact CD2-CG 3.57Å; L796-E798 PolarHBondContact O-N 2.74Å | ||
| 797 | Q | 31.3 | Very low | 26 | Very low | 186 Ų | 186 | 150 Ų | 150 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | trans | -41.8 | 122 | 152.8 | -64.8 | 158.5 | -33.3 | 0 | 0 | 109.2 | ||||
| 798 | E | 27.7 | Very low | 26.1 | Very low | 184 Ų | 184 | 149.3 Ų | 149.3 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -119.1 | 135.1 | 160.8 | -93.1 | -170.1 | 175 | 0 | 0 | 112.2 | L796 | L796-E798 PolarHBondContact O-N 2.74Š| ||
| 799 | P | 27.6 | Very low | 26.3 | Very low | 115 Ų | 115 | 148.3 Ų | 148.3 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 165.1 | 169.6 | 24.6 | -15.3 | 0 | 0 | 0 | 111.3 | D801 | P799-D801 PolarHBondContact O-N 2.87Š|
| 800 | L | 25.5 | Very low | 26.4 | Very low | 151 Ų | 151 | 150 Ų | 150 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 117.3 | 169.9 | -84.6 | 137 | 0 | 0 | 0 | 110.1 | ||
| 801 | D | 24.7 | Very low | 26.4 | Very low | 149 Ų | 149 | 152.6 Ų | 152.6 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 120.1 | 163 | -149.5 | -5.5 | 0 | 0 | 0 | 109.3 | P799 | P799-D801 PolarHBondContact O-N 2.87Š|
| 802 | L | 32.4 | Very low | 26.6 | Very low | 154 Ų | 154 | 152.6 Ų | 152.6 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | -100.2 | 95.3 | 174 | -90.4 | 163.4 | 0 | 0 | 0 | 106.5 | ||||
| 803 | Q | 26.9 | Very low | 26.8 | Very low | 179 Ų | 179 | 149.8 Ų | 149.8 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | trans | -169.8 | 107.9 | 159.2 | -107.6 | 156 | 74.3 | 0 | 0 | 109.8 | ||||
| 804 | D | 25.2 | Very low | 26.8 | Very low | 159 Ų | 159 | 151.6 Ų | 151.6 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | -139.9 | 119.7 | 148.7 | -151.4 | -7.1 | 0 | 0 | 0 | 107.9 | ||||
| 805 | P | 30.2 | Very low | 27 | Very low | 110 Ų | 110 | 153.1 Ų | 153.1 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | trans | -96.8 | 94.8 | -178.6 | 34.8 | -25.5 | 0 | 0 | 0 | 110 | ||||
| 806 | D | 28 | Very low | 27 | Very low | 152 Ų | 152 | 151.5 Ų | 151.5 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | -174 | 84.7 | 149.7 | -110.5 | -24.8 | 0 | 0 | 0 | 111.3 | ||||
| 807 | V | 28.1 | Very low | 27.1 | Very low | 123 Ų | 123 | 152.9 Ų | 152.9 | 75% | 0.745 | 80% | 0.795 | S | S | * | * | trans | -135.1 | 92.9 | 150.6 | -177.2 | 0 | 0 | 0 | 0 | 107.3 | L809 | V807-L809 HydrophobicContact CG1-CD1 3.94Å; V807-L809 HydrophobicContact CG1-CG 4.04Å; V807-L809 PolarHBondContact O-N 3.1Å; V807-L809 VanDerWaalsContact O-N 3.11Å | ||
| 808 | S | 27.2 | Very low | 26.9 | Very low | 105 Ų | 105 | 152.3 Ų | 152.3 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -55.6 | 107.4 | 160.8 | 169.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 809 | L | 26.6 | Very low | 26.7 | Very low | 142 Ų | 142 | 149.9 Ų | 149.9 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | trans | -124.1 | 109.6 | 161.7 | -84.8 | 163.9 | 0 | 0 | 0 | 108 | V807 F811 | V807-L809 HydrophobicContact CG1-CD1 3.94Å; V807-L809 HydrophobicContact CG1-CG 4.04Å; V807-L809 PolarHBondContact O-N 3.1Å; V807-L809 VanDerWaalsContact O-N 3.11Å; L809-F811 PolarHBondContact O-N 2.86Å | ||
| 810 | K | 25.9 | Very low | 26.6 | Very low | 188 Ų | 188 | 151.6 Ų | 151.6 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | trans | -54.4 | 126.5 | 174.7 | -70.4 | 176 | 172.6 | -178.2 | 0 | 110.1 | ||||
| 811 | F | 24.2 | Very low | 26.6 | Very low | 207 Ų | 207 | 150 Ų | 150 | 91% | 0.908 | 79% | 0.785 | S | S | * | * | trans | -80.6 | 110.3 | 158.4 | -80.4 | -89.7 | 0 | 0 | 0 | 108.2 | L809 | L809-F811 PolarHBondContact O-N 2.86Š| ||
| 812 | E | 26 | Very low | 26.6 | Very low | 184 Ų | 184 | 147.2 Ų | 147.2 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -98.2 | 113.9 | 154.4 | -87.6 | 179.1 | 174.8 | 0 | 0 | 107.5 | ||||
| 813 | T | 27.8 | Very low | 27.1 | Very low | 120 Ų | 120 | 145 Ų | 145 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | trans | -71.1 | 133.1 | 162.3 | 43 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 814 | N | 26.6 | Very low | 27 | Very low | 164 Ų | 164 | 143.5 Ų | 143.5 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | -162.5 | 147 | 132.6 | -101.1 | -13.1 | 0 | 0 | 0 | 113.7 | ||||
| 815 | E | 26.1 | Very low | 27 | Very low | 162 Ų | 162 | 141.9 Ų | 141.9 | 76% | 0.757 | 77% | 0.771 | S | S | * | * | trans | -77.8 | 151.9 | -172.1 | -95.8 | 178.6 | 154.7 | 0 | 0 | 115.2 | ||||
| 816 | I | 25.2 | Very low | 27 | Very low | 131 Ų | 131 | 148.2 Ų | 148.2 | 67% | 0.672 | 80% | 0.797 | S | S | * | * | trans | 62.5 | 121.6 | 138 | -49.5 | 160 | 0 | 0 | 0 | 119.3 | ||||
| 817 | L | 26.6 | Very low | 26.9 | Very low | 146 Ų | 146 | 148.1 Ų | 148.1 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | 172.4 | 121.9 | 114.8 | -89.7 | 170.2 | 0 | 0 | 0 | 113.1 | |||||
| 818 | E | 25.8 | Very low | 26.9 | Very low | 173 Ų | 173 | 149.4 Ų | 149.4 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | trans | 37.1 | 121.4 | 132.6 | -82.9 | 179.4 | 172.7 | 0 | 0 | 123.8 | ||||
| 819 | D | 24.6 | Very low | 26.9 | Very low | 133 Ų | 133 | 151.8 Ų | 151.8 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | 101 | 140.3 | 115.9 | -147.3 | 20.8 | 0 | 0 | 0 | 121.9 | |||||
| 820 | Q | 24.8 | Very low | 26.9 | Very low | 152 Ų | 152 | 152.4 Ų | 152.4 | 71% | 0.71 | 81% | 0.806 | S | S | * | * | trans | 82.6 | 116.8 | 156.4 | -47.7 | -159.2 | -3.5 | 0 | 0 | 124.1 | ||||
| 821 | S | 26.1 | Very low | 26.9 | Very low | 117 Ų | 117 | 150.2 Ų | 150.2 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | 95.4 | 129.8 | 126.3 | 71.6 | 0 | 0 | 0 | 0 | 121 | |||||
| 822 | A | 24.7 | Very low | 27.1 | Very low | 91 Ų | 91 | 146.4 Ų | 146.4 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | -74.6 | -163.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 823 | P | 42 | Very low | 27.2 | Very low | 106 Ų | 106 | 143.7 Ų | 143.7 | 69% | 0.688 | 79% | 0.794 | S | S | * | * | cis | -132.4 | -177.7 | -35.1 | 25 | -2 | 0 | 0 | 0 | 113.8 | ||||
| 824 | D | 24.6 | Very low | 27.1 | Very low | 149 Ų | 149 | 145.5 Ų | 145.5 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | 63.2 | 134.9 | 150.6 | -64.4 | -26.7 | 0 | 0 | 0 | 122.2 | ||||
| 825 | V | 26.3 | Very low | 27.2 | Very low | 125 Ų | 125 | 144 Ų | 144 | 76% | 0.758 | 79% | 0.792 | S | S | * | * | 155.4 | 125.9 | 110.9 | 171 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 826 | L | 29.5 | Very low | 27.3 | Very low | 243 Ų | 243 | 142.4 Ų | 142.4 | 100% | 1.272 | 80% | 0.796 | S | S | * | * | trans | 80.2 | 0 | 161.1 | -74.3 | 163.3 | 0 | 0 | 0 | 121 |
Retrieved 826 of 826 residues in 875.1 ms
(Link to these results)