| 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 | 39.4 | Very low | 42.3 | Very low | 248 Ų | 248 | 186.5 Ų | 186.5 | 100% | 1.222 | 88% | 0.879 | S | S | * | * | 0 | 128.5 | 0 | -78.3 | -169.6 | 169.5 | 0 | 0 | 109.6 | |||||
| 2 | T | 36.5 | Very low | 41.9 | Very low | 130 Ų | 130 | 190.6 Ų | 190.6 | 80% | 0.798 | 88% | 0.879 | S | S | * | * | trans | -126.8 | 126.6 | -151.4 | 36.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 3 | K | 43.8 | Very low | 41.4 | Very low | 224 Ų | 224 | 190.6 Ų | 190.6 | 97% | 0.974 | 88% | 0.88 | S | S | * | * | trans | -140.2 | 79.2 | 147.3 | -75 | -167.7 | 179.2 | 177.3 | 0 | 108.1 | ||||
| 4 | K | 44.7 | Very low | 41 | Very low | 187 Ų | 187 | 188.9 Ų | 188.9 | 81% | 0.813 | 88% | 0.879 | S | S | * | * | trans | -106 | 133.2 | 170.4 | -115.7 | 178.5 | -178.8 | 173.1 | 0 | 107.5 | ||||
| 5 | K | 43.5 | Very low | 40.5 | Very low | 191 Ų | 191 | 182.7 Ų | 182.7 | 83% | 0.83 | 87% | 0.865 | S | S | * | * | trans | 59.6 | 96.1 | 151 | -63.9 | -176.3 | 173.9 | -173.2 | 0 | 118.5 | ||||
| 6 | L | 40.7 | Very low | 40.1 | Very low | 171 Ų | 171 | 184.5 Ų | 184.5 | 90% | 0.895 | 87% | 0.868 | S | S | * | * | trans | -150 | 132.6 | 151.7 | -98.9 | 142.2 | 0 | 0 | 0 | 106.1 | ||||
| 7 | S | 44.2 | Very low | 39.8 | Very low | 89 Ų | 89 | 183.4 Ų | 183.4 | 62% | 0.622 | 86% | 0.863 | S | S | * | * | cis | -154.8 | 135.2 | -28.9 | 59.6 | 0 | 0 | 0 | 0 | 104 | K9 | S7-K9 PolarHBondContact O-N 3.35Š| ||
| 8 | E | 43.9 | Very low | 39.5 | Very low | 202 Ų | 202 | 182.9 Ų | 182.9 | 94% | 0.944 | 86% | 0.859 | S | S | * | * | trans | -80.4 | 36.2 | -171.5 | -149.1 | 166.8 | -176.5 | 0 | 0 | 111.6 | ||||
| 9 | K | 47.9 | Very low | 39.1 | Very low | 180 Ų | 180 | 180.9 Ų | 180.9 | 78% | 0.783 | 85% | 0.853 | S | S | * | * | trans | -114.1 | 17.2 | -159.6 | -141.3 | -179.2 | -177.4 | -175.8 | 0 | 115.7 | S7 | S7-K9 PolarHBondContact O-N 3.35Š| ||
| 10 | H | 40.5 | Very low | 38.7 | Very low | 188 Ų | 188 | 176.6 Ų | 176.6 | 87% | 0.87 | 84% | 0.842 | S | S | * | * | S | Bend | trans | -125.6 | 26.4 | 178 | -92.7 | 50.7 | 0 | 0 | 0 | 114.3 | ||
| 11 | R | 40 | Very low | 38.3 | Very low | 242 Ų | 242 | 177.3 Ų | 177.3 | 91% | 0.913 | 84% | 0.841 | S | S | * | * | trans | -110.3 | 25.1 | -177.7 | -99.5 | -171.1 | 177.3 | -171.6 | 1.2 | 115.5 | ||||
| 12 | R | 38.2 | Very low | 38.1 | Very low | 235 Ų | 235 | 174.8 Ų | 174.8 | 89% | 0.887 | 83% | 0.826 | S | S | * | * | trans | -128.7 | 141.9 | 175.2 | -65.4 | -177.3 | -178.3 | 167.6 | 0.5 | 109.2 | ||||
| 13 | E | 34.9 | Very low | 37.8 | Very low | 191 Ų | 191 | 174.4 Ų | 174.4 | 89% | 0.893 | 82% | 0.824 | S | S | * | * | trans | 86.8 | 62.9 | 175.3 | -57.2 | 175.7 | -176.4 | 0 | 0 | 116.7 | ||||
| 14 | I | 35.7 | Very low | 37.2 | Very low | 167 Ų | 167 | 171.8 Ų | 171.8 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | trans | -118.7 | 109.8 | 136.3 | -60 | 177.1 | 0 | 0 | 0 | 106 | ||||
| 15 | S | 33.3 | Very low | 37 | Very low | 96 Ų | 96 | 167.8 Ų | 167.8 | 67% | 0.671 | 82% | 0.816 | S | S | * | * | trans | -58.2 | 133.1 | -174.7 | 49.5 | 0 | 0 | 0 | 0 | 111.3 | Q17 | S15-Q17 VanDerWaalsContact C-N 3.33Å; S15-Q17 PolarHBondContact O-N 3.43Å | ||
| 16 | K | 35.4 | Very low | 36.6 | Very low | 211 Ų | 211 | 167.5 Ų | 167.5 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | trans | -71.2 | 89.1 | 169.6 | -68.3 | 175.8 | -179.8 | 174.6 | 0 | 108.1 | H18 | K16-H18 PolarHBondContact O-N 3.42Š| ||
| 17 | Q | 33.5 | Very low | 36.4 | Very low | 166 Ų | 166 | 162 Ų | 162 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -72.3 | 109.9 | 164.1 | -79.9 | -173.6 | -14.7 | 0 | 0 | 109.1 | S15 I19 | S15-Q17 VanDerWaalsContact C-N 3.33Å; S15-Q17 PolarHBondContact O-N 3.43Å; Q17-I19 PolarHBondContact O-N 3.04Å | ||
| 18 | H | 35 | Very low | 36.1 | Very low | 174 Ų | 174 | 163.7 Ų | 163.7 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | trans | -74.5 | 93.6 | 174 | -173.7 | -75.9 | 0 | 0 | 0 | 108.8 | K16 P20 | K16-H18 PolarHBondContact O-N 3.42Å; H18-P20 WeakPolarHBondContact O-CD 3.43Å | ||
| 19 | I | 32.2 | Very low | 36 | Very low | 145 Ų | 145 | 158.3 Ų | 158.3 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | trans | -76.5 | 118.8 | 173.2 | -59.2 | 171.9 | 0 | 0 | 0 | 108 | Q17 | Q17-I19 PolarHBondContact O-N 3.04Š| ||
| 20 | P | 30.7 | Very low | 35.9 | Very low | 95 Ų | 95 | 152.6 Ų | 152.6 | 62% | 0.617 | 76% | 0.764 | S | S | * | * | trans | -67.4 | 136.1 | 178.6 | 26.8 | -30.7 | 0 | 0 | 0 | 110.5 | H18 Q22 | H18-P20 WeakPolarHBondContact O-CD 3.43Å; P20-Q22 PolarHBondContact O-N 3.49Å | ||
| 21 | K | 29.8 | Very low | 36.6 | Very low | 192 Ų | 192 | 145.6 Ų | 145.6 | 84% | 0.835 | 73% | 0.734 | S | S | * | * | trans | -62.1 | 103.7 | 175.2 | -69.3 | 172.3 | 179.3 | 171.9 | 0 | 109.8 | T23 | K21-T23 PolarHBondContact O-N 3.08Š| ||
| 22 | Q | 35.1 | Very low | 37.8 | Very low | 194 Ų | 194 | 135 Ų | 135 | 91% | 0.907 | 70% | 0.697 | S | S | * | * | trans | -83.1 | 99.9 | 158.6 | -76.9 | -173.4 | -2.6 | 0 | 0 | 108.8 | P20 N24 | P20-Q22 PolarHBondContact O-N 3.49Å; Q22-N24 PolarHBondContact O-N 2.85Å | ||
| 23 | T | 31.7 | Very low | 39.3 | Very low | 122 Ų | 122 | 129 Ų | 129 | 75% | 0.748 | 68% | 0.679 | S | S | * | * | trans | -74.5 | 99.5 | 168.2 | 43.5 | 0 | 0 | 0 | 0 | 109.1 | K21 | K21-T23 PolarHBondContact O-N 3.08Š| ||
| 24 | N | 31.4 | Very low | 41 | Very low | 170 Ų | 170 | 123.8 Ų | 123.8 | 91% | 0.909 | 65% | 0.654 | S | S | * | * | trans | -151.6 | 76.4 | 160.8 | -98 | -14.2 | 0 | 0 | 0 | 108.9 | Q22 | Q22-N24 PolarHBondContact O-N 2.85Š| ||
| 25 | S | 38.8 | Very low | 42.5 | Very low | 102 Ų | 102 | 116.8 Ų | 116.8 | 71% | 0.713 | 62% | 0.619 | S | S | * | * | trans | -127.1 | 91.5 | 162.5 | 56 | 0 | 0 | 0 | 0 | 108.5 | G27 | S25-G27 PolarHBondContact O-N 3.06Š| ||
| 26 | Q | 36.8 | Very low | 44.2 | Very low | 186 Ų | 186 | 115.4 Ų | 115.4 | 87% | 0.869 | 60% | 0.599 | S | S | * | * | trans | -55.2 | 108.6 | 154.7 | -75.2 | 175.2 | -21.4 | 0 | 0 | 106.1 | I28 | Q26-I28 PolarHBondContact O-N 3.09Š| ||
| 27 | G | 34.7 | Very low | 46 | Very low | 54 Ų | 54 | 106.5 Ų | 106.5 | 56% | 0.557 | 57% | 0.567 | S | S | * | * | trans | -67.8 | 92.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | S25 T29 | S25-G27 PolarHBondContact O-N 3.06Å; G27-T29 PolarHBondContact O-N 3.5Å; G27-T29 VanDerWaalsContact O-N 3.07Å | ||
| 28 | I | 39.1 | Very low | 48 | Very low | 125 Ų | 125 | 100.4 Ų | 100.4 | 64% | 0.641 | 54% | 0.538 | S | S | * | . | trans | -67.3 | 106.1 | 173.8 | -62.1 | 170 | 0 | 0 | 0 | 108 | Q26 V30 P57 | Q26-I28 PolarHBondContact O-N 3.09Å; I28-V30 HydrophobicContact CG2-CG2 4.02Å; I28-V30 PolarHBondContact O-N 2.96Å; I28-P57 WeakPolarHBondContact O-CD 2.79Å; I28-P57 WeakPolarHBondContact O-CG 3.26Å | ||
| 29 | T | 42.6 | Very low | 49.8 | Very low | 90 Ų | 90 | 93.3 Ų | 93.3 | 55% | 0.552 | 51% | 0.507 | S | S | * | . | trans | -77.2 | 107.6 | 175.2 | 47.5 | 0 | 0 | 0 | 0 | 109.9 | G27 V31 | G27-T29 PolarHBondContact O-N 3.5Å; G27-T29 VanDerWaalsContact O-N 3.07Å; T29-V31 PolarHBondContact O-N 2.79Å | ||
| 30 | V | 45.7 | Very low | 52 | Low | 59 Ų | 59 | 91.9 Ų | 91.9 | 36% | 0.358 | 49% | 0.492 | S | S | . | . | trans | -95.9 | 77.3 | -177.2 | -174.7 | 0 | 0 | 0 | 0 | 111.5 | I28 W55 I136 | I28-V30 HydrophobicContact CG2-CG2 4.02Å; I28-V30 PolarHBondContact O-N 2.96Å; V30-W55 HydrophobicContact CB-CB 4.48Å; V30-W55 HydrophobicContact CB-CG 4.38Å; V30-W55 VanDerWaalsContact O-CD2 3.27Å; V30-W55 PolarHBondContact O-NE1 2.95Å; V30-I136 HydrophobicContact CG1-CD1 4.08Å | ||
| 31 | V | 54.6 | Low | 54.4 | Low | 41 Ų | 41 | 96.1 Ų | 96.1 | 25% | 0.248 | 50% | 0.496 | C | S | . | . | trans | -72.8 | 133 | 175.4 | -176.7 | 0 | 0 | 0 | 0 | 110.1 | T29 E33 R36 | T29-V31 PolarHBondContact O-N 2.79Å; V31-E33 PolarHBondContact O-N 2.86Å; V31-R36 HydrophobicContact CG1-CB 4.15Å; V31-R36 HydrophobicContact CG1-CG 4.46Å | ||
| 32 | S | 65.3 | Low | 56.7 | Low | 19 Ų | 19 | 91.9 Ų | 91.9 | 13% | 0.133 | 48% | 0.479 | C | S | . | . | trans | -66.8 | 103.8 | 169.4 | 173.1 | 0 | 0 | 0 | 0 | 108.5 | F34 V35 R36 S132 | S32-F34 PolarHBondContact O-N 3.22Å; S32-V35 PolarHBondContact O-N 2.98Å; S32-V35 VanDerWaalsContact O-N 3.14Å; S32-V35 PolarHBondContact OG-N 3Å; S32-R36 WeakPolarHBondContact O-CB 3.21Å; S32-R36 PolarHBondContact O-N 3.21Å; S32-S132 PolarHBondContact OG-OG 2.92Å | ||
| 33 | E | 69 | Low | 58.6 | Low | 110 Ų | 110 | 84.8 Ų | 84.8 | 51% | 0.514 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -57.7 | -30.7 | 178 | -75.9 | -59.2 | 138.3 | 0 | 0 | 112 | V31 R36 G37 | V31-E33 PolarHBondContact O-N 2.86Å; E33-R36 VanDerWaalsContact CD-NH2 3.26Å; E33-R36 IonicContact OE1-CZ 3.16Å; E33-R36 IonicContact OE1-NE 2.99Å; E33-R36 PolarHBondContact OE1-NE 2.87Å; E33-R36 IonicContact OE1-NH1 3.03Å; E33-R36 IonicContact OE1-NH2 2.71Å; E33-R36 PolarHBondContact OE1-NH2 2.79Å; E33-R36 IonicContact OE2-CZ 3.21Å; E33-R36 IonicContact OE2-NE 3.73Å; E33-R36 PolarHBondContact OE2-NE 3.28Å; E33-R36 IonicContact OE2-NH2 3.05Å; E33-R36 PolarHBondContact OE2-NH2 2.86Å; E33-G37 PolarHBondContact O-N 2.93Å |
| 34 | F | 70.8 | Confident | 60.7 | Low | 81 Ų | 81 | 84.6 Ų | 84.6 | 36% | 0.355 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65 | -51.6 | 174.2 | 178.5 | -95.8 | 0 | 0 | 0 | 112.1 | S32 R36 G37 F38 L125 | S32-F34 PolarHBondContact O-N 3.22Å; F34-R36 VanDerWaalsContact C-N 3.29Å; F34-R36 PolarHBondContact O-N 2.71Å; F34-G37 PolarHBondContact O-N 2.88Å; F34-F38 WeakPolarHBondContact O-CB 3.38Å; F34-F38 PolarHBondContact O-N 2.82Å; F34-L125 HydrophobicContact CE1-CD1 3.98Å |
| 35 | V | 67.9 | Low | 62.8 | Low | 20 Ų | 20 | 83.2 Ų | 83.2 | 12% | 0.121 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 178.5 | 175.8 | 0 | 0 | 0 | 0 | 109.9 | S32 G37 F38 V39 | S32-V35 PolarHBondContact O-N 2.98Å; S32-V35 VanDerWaalsContact O-N 3.14Å; S32-V35 PolarHBondContact OG-N 3Å; V35-G37 PolarHBondContact O-N 3.29Å; V35-F38 PolarHBondContact O-N 3.01Å; V35-V39 HydrophobicContact CG1-CG2 4.34Å; V35-V39 WeakPolarHBondContact O-CG2 3.41Å; V35-V39 PolarHBondContact O-N 2.99Å |
| 36 | R | 68 | Low | 64.4 | Low | 68 Ų | 68 | 87.5 Ų | 87.5 | 26% | 0.257 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58.9 | -47.6 | 176 | -165.4 | 175.4 | 78.5 | 152.8 | 1.3 | 111.3 | V31 S32 E33 F34 R40 | V31-R36 HydrophobicContact CG1-CB 4.15Å; V31-R36 HydrophobicContact CG1-CG 4.46Å; S32-R36 WeakPolarHBondContact O-CB 3.21Å; S32-R36 PolarHBondContact O-N 3.21Å; E33-R36 VanDerWaalsContact CD-NH2 3.26Å; E33-R36 IonicContact OE1-CZ 3.16Å; E33-R36 IonicContact OE1-NE 2.99Å; E33-R36 PolarHBondContact OE1-NE 2.87Å; E33-R36 IonicContact OE1-NH1 3.03Å; E33-R36 IonicContact OE1-NH2 2.71Å; E33-R36 PolarHBondContact OE1-NH2 2.79Å; E33-R36 IonicContact OE2-CZ 3.21Å; E33-R36 IonicContact OE2-NE 3.73Å; E33-R36 PolarHBondContact OE2-NE 3.28Å; E33-R36 IonicContact OE2-NH2 3.05Å; E33-R36 PolarHBondContact OE2-NH2 2.86Å; F34-R36 VanDerWaalsContact C-N 3.29Å; F34-R36 PolarHBondContact O-N 2.71Å; R36-R40 VanDerWaalsContact O-CB 3.32Å; R36-R40 WeakPolarHBondContact O-CB 3.35Å; R36-R40 WeakPolarHBondContact O-CG 3.45Å; R36-R40 PolarHBondContact O-N 3.03Å |
| 37 | G | 73.9 | Confident | 65.8 | Low | 24 Ų | 24 | 84.7 Ų | 84.7 | 25% | 0.247 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -67.2 | -36.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | E33 F34 V35 R41 | E33-G37 PolarHBondContact O-N 2.93Å; F34-G37 PolarHBondContact O-N 2.88Å; V35-G37 PolarHBondContact O-N 3.29Å; G37-R41 WeakPolarHBondContact O-CB 3.31Å; G37-R41 VanDerWaalsContact O-CG 3.31Å; G37-R41 WeakPolarHBondContact O-CG 3.32Å; G37-R41 PolarHBondContact O-N 2.9Å; G37-R41 VanDerWaalsContact O-N 3.13Å; G37-R41 PolarHBondContact O-NE 3.32Å |
| 38 | F | 75.4 | Confident | 67.4 | Low | 38 Ų | 38 | 85.5 Ų | 85.5 | 17% | 0.167 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64.8 | -50.1 | 175.3 | -177.2 | -90 | 0 | 0 | 0 | 111 | F34 V35 R41 H42 L125 | F34-F38 WeakPolarHBondContact O-CB 3.38Å; F34-F38 PolarHBondContact O-N 2.82Å; V35-F38 PolarHBondContact O-N 3.01Å; F38-R41 PolarHBondContact O-N 3.34Å; F38-H42 AromaticContact CD2-CE1 3.94Å; F38-H42 AromaticContact CD2-ND1 3.82Å; F38-H42 HydrophobicContact CE1-CB 4.44Å; F38-H42 AromaticContact CE2-CE1 3.85Å; F38-H42 AromaticContact CE2-ND1 3.85Å; F38-H42 PolarHBondContact O-N 2.89Å; F38-H42 PolarHBondContact O-ND1 3.05Å; F38-L125 HydrophobicContact CB-CD1 4.1Å; F38-L125 HydrophobicContact CD1-CD1 3.69Å; F38-L125 HydrophobicContact CD1-CD2 4.19Å; F38-L125 HydrophobicContact CD1-CG 4.45Å; F38-L125 HydrophobicContact CD2-CD1 4.32Å; F38-L125 HydrophobicContact CE1-CD1 4.18Å; F38-L125 HydrophobicContact CE1-CD2 3.97Å; F38-L125 HydrophobicContact CE1-CG 4.48Å; F38-L125 HydrophobicContact CG-CD1 3.77Å; F38-L125 HydrophobicContact CZ-CB 4.48Å |
| 39 | V | 73 | Confident | 68.3 | Low | 25 Ų | 25 | 85.5 Ų | 85.5 | 15% | 0.152 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66 | -40.7 | -179.5 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | V35 R41 H42 V43 R48 S51 | V35-V39 HydrophobicContact CG1-CG2 4.34Å; V35-V39 WeakPolarHBondContact O-CG2 3.41Å; V35-V39 PolarHBondContact O-N 2.99Å; V39-R41 VanDerWaalsContact C-N 3.28Å; V39-R41 PolarHBondContact O-N 3.22Å; V39-H42 PolarHBondContact O-N 3.13Å; V39-V43 HydrophobicContact CB-CG2 4.5Å; V39-V43 HydrophobicContact CG1-CB 3.75Å; V39-V43 HydrophobicContact CG1-CG1 4.39Å; V39-V43 HydrophobicContact CG1-CG2 3.73Å; V39-V43 WeakPolarHBondContact O-CB 3.28Å; V39-V43 PolarHBondContact O-N 2.98Å; V39-R48 HydrophobicContact CG1-CG 4.33Å; V39-S51 VanDerWaalsContact CG1-CB 3.46Å; V39-S51 WeakPolarHBondContact CG1-OG 3.34Å |
| 40 | R | 77.9 | Confident | 68.9 | Low | 115 Ų | 115 | 86.3 Ų | 86.3 | 43% | 0.434 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -57.8 | -39.8 | 174.2 | -77.6 | 174.9 | 179.7 | 177.2 | -0.1 | 112.5 | R36 R48 | R36-R40 VanDerWaalsContact O-CB 3.32Å; R36-R40 WeakPolarHBondContact O-CB 3.35Å; R36-R40 WeakPolarHBondContact O-CG 3.45Å; R36-R40 PolarHBondContact O-N 3.03Å; R40-R48 PolarHBondContact O-NH2 3.24Å |
| 41 | R | 80.6 | Confident | 69.3 | Low | 183 Ų | 183 | 84 Ų | 84 | 69% | 0.691 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -75.4 | -29.9 | 179.9 | -74.5 | -174 | -68.1 | 177.9 | -0.2 | 114.2 | G37 F38 V39 | G37-R41 WeakPolarHBondContact O-CB 3.31Å; G37-R41 VanDerWaalsContact O-CG 3.31Å; G37-R41 WeakPolarHBondContact O-CG 3.32Å; G37-R41 PolarHBondContact O-N 2.9Å; G37-R41 VanDerWaalsContact O-N 3.13Å; G37-R41 PolarHBondContact O-NE 3.32Å; F38-R41 PolarHBondContact O-N 3.34Å; V39-R41 VanDerWaalsContact C-N 3.28Å; V39-R41 PolarHBondContact O-N 3.22Å |
| 42 | H | 78.4 | Confident | 69.2 | Low | 103 Ų | 103 | 85.3 Ų | 85.3 | 48% | 0.477 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -117.3 | -8.9 | -167.5 | -61.8 | 85.4 | 0 | 0 | 0 | 115.1 | F38 V39 | F38-H42 AromaticContact CD2-CE1 3.94Å; F38-H42 AromaticContact CD2-ND1 3.82Å; F38-H42 HydrophobicContact CE1-CB 4.44Å; F38-H42 AromaticContact CE2-CE1 3.85Å; F38-H42 AromaticContact CE2-ND1 3.85Å; F38-H42 PolarHBondContact O-N 2.89Å; F38-H42 PolarHBondContact O-ND1 3.05Å; V39-H42 PolarHBondContact O-N 3.13Å |
| 43 | V | 75.1 | Confident | 68.7 | Low | 46 Ų | 46 | 86.3 Ų | 86.3 | 28% | 0.279 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -120.8 | 132.9 | -177.4 | -177.2 | 0 | 0 | 0 | 0 | 110.5 | V39 E45 Q47 R48 | V39-V43 HydrophobicContact CB-CG2 4.5Å; V39-V43 HydrophobicContact CG1-CB 3.75Å; V39-V43 HydrophobicContact CG1-CG1 4.39Å; V39-V43 HydrophobicContact CG1-CG2 3.73Å; V39-V43 WeakPolarHBondContact O-CB 3.28Å; V39-V43 PolarHBondContact O-N 2.98Å; V43-E45 PolarHBondContact O-N 2.76Å; V43-Q47 HydrophobicContact CG1-CB 3.68Å; V43-R48 HydrophobicContact CB-CG 4.49Å; V43-R48 HydrophobicContact CG1-CG 4.44Å; V43-R48 PolarHBondContact O-NE 3.4Å |
| 44 | I | 75.8 | Confident | 67.7 | Low | 118 Ų | 118 | 89.6 Ų | 89.6 | 61% | 0.605 | 41% | 0.412 | S | S | * | . | trans | -55 | 136.2 | 176.2 | -60.3 | 168.8 | 0 | 0 | 0 | 109.2 | K46 Q47 R48 | I44-K46 PolarHBondContact O-N 2.97Å; I44-K46 VanDerWaalsContact O-N 3.09Å; I44-Q47 PolarHBondContact O-N 3.07Å; I44-R48 PolarHBondContact O-N 3.47Å | ||
| 45 | E | 75.4 | Confident | 66.5 | Low | 140 Ų | 140 | 87.8 Ų | 87.8 | 65% | 0.654 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -49.9 | -41.3 | -173.3 | -173.1 | 159.5 | -140.8 | 0 | 0 | 114.4 | V43 Q47 R48 | V43-E45 PolarHBondContact O-N 2.76Å; E45-Q47 PolarHBondContact O-N 3.22Å; E45-R48 WeakPolarHBondContact O-CB 3.46Å; E45-R48 PolarHBondContact O-N 3.23Å; E45-R48 VanDerWaalsContact O-N 3.08Å; E45-R48 IonicContact OE1-NH1 3.47Å |
| 46 | K | 71.4 | Confident | 65.2 | Low | 192 Ų | 192 | 98.1 Ų | 98.1 | 84% | 0.835 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -60.7 | -18.4 | 177.8 | -62.1 | -177.5 | -179.9 | 178.4 | 0 | 114.4 | I44 | I44-K46 PolarHBondContact O-N 2.97Å; I44-K46 VanDerWaalsContact O-N 3.09Å |
| 47 | Q | 66.9 | Low | 63.9 | Low | 128 Ų | 128 | 98.3 Ų | 98.3 | 60% | 0.598 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -107.2 | -2 | -179 | -64 | -179.6 | -4.6 | 0 | 0 | 112.9 | V43 I44 E45 N49 | V43-Q47 HydrophobicContact CG1-CB 3.68Å; I44-Q47 PolarHBondContact O-N 3.07Å; E45-Q47 PolarHBondContact O-N 3.22Å; Q47-N49 VanDerWaalsContact C-N 3.25Å; Q47-N49 PolarHBondContact O-N 3.45Å |
| 48 | R | 68.1 | Low | 62.4 | Low | 71 Ų | 71 | 100.9 Ų | 100.9 | 27% | 0.268 | 48% | 0.476 | S | S | . | . | G | 310 helix | trans | -72 | -12.7 | -176.8 | -66.7 | -178.8 | -173.6 | 159.2 | -4.5 | 114.3 | V39 R40 V43 I44 E45 Q50 S51 | V39-R48 HydrophobicContact CG1-CG 4.33Å; R40-R48 PolarHBondContact O-NH2 3.24Å; V43-R48 HydrophobicContact CB-CG 4.49Å; V43-R48 HydrophobicContact CG1-CG 4.44Å; V43-R48 PolarHBondContact O-NE 3.4Å; I44-R48 PolarHBondContact O-N 3.47Å; E45-R48 WeakPolarHBondContact O-CB 3.46Å; E45-R48 PolarHBondContact O-N 3.23Å; E45-R48 VanDerWaalsContact O-N 3.08Å; E45-R48 IonicContact OE1-NH1 3.47Å; R48-Q50 PolarHBondContact O-N 3Å; R48-S51 PolarHBondContact O-N 3.41Å; R48-S51 PolarHBondContact O-OG 2.86Å |
| 49 | N | 58.6 | Low | 60.8 | Low | 125 Ų | 125 | 102.4 Ų | 102.4 | 67% | 0.668 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -58.9 | -14 | -179.3 | -60.1 | 1.4 | 0 | 0 | 0 | 113.5 | Q47 | Q47-N49 VanDerWaalsContact C-N 3.25Å; Q47-N49 PolarHBondContact O-N 3.45Å |
| 50 | Q | 55.9 | Low | 59.4 | Low | 107 Ų | 107 | 109.6 Ų | 109.6 | 50% | 0.5 | 53% | 0.529 | S | S | . | . | G | 310 helix | trans | -86.1 | -14.7 | 175.2 | -63.9 | -178.4 | -13.1 | 0 | 0 | 114 | R48 P69 | R48-Q50 PolarHBondContact O-N 3Å; Q50-P69 VanDerWaalsContact CD-CB 3.46Å; Q50-P69 HydrophobicContact CG-CB 4.31Å; Q50-P69 VanDerWaalsContact OE1-CB 3.26Å |
| 51 | S | 52.5 | Low | 57.9 | Low | 11 Ų | 11 | 108.2 Ų | 108.2 | 8% | 0.077 | 53% | 0.534 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -17.4 | 179.4 | 53 | 0 | 0 | 0 | 0 | 115.1 | V39 R48 L53 | V39-S51 VanDerWaalsContact CG1-CB 3.46Å; V39-S51 WeakPolarHBondContact CG1-OG 3.34Å; R48-S51 PolarHBondContact O-N 3.41Å; R48-S51 PolarHBondContact O-OG 2.86Å; S51-L53 PolarHBondContact O-N 2.98Å |
| 52 | D | 52.6 | Low | 56.2 | Low | 67 Ų | 67 | 100.6 Ų | 100.6 | 36% | 0.358 | 51% | 0.508 | S | S | . | . | trans | -79.4 | 71.7 | 177.5 | -66.1 | -18.4 | 0 | 0 | 0 | 109 | Y54 | D52-Y54 HydrophobicContact CB-CE2 4.19Å; D52-Y54 VanDerWaalsContact O-CD2 3.28Å; D52-Y54 WeakPolarHBondContact O-CD2 3.36Å; D52-Y54 WeakPolarHBondContact O-CE2 3.39Å; D52-Y54 PolarHBondContact O-N 3.47Å | ||
| 53 | L | 54.8 | Low | 54.7 | Low | 40 Ų | 40 | 101.8 Ų | 101.8 | 21% | 0.209 | 51% | 0.513 | C | S | . | . | trans | -74.9 | 104.5 | 170.9 | -70.4 | 171.5 | 0 | 0 | 0 | 108 | S51 W55 I65 | S51-L53 PolarHBondContact O-N 2.98Å; L53-W55 PolarHBondContact O-NE1 3.17Å; L53-I65 HydrophobicContact CD1-CG2 4.25Å | ||
| 54 | Y | 47.9 | Very low | 53.4 | Low | 179 Ų | 179 | 101.9 Ų | 101.9 | 70% | 0.702 | 51% | 0.513 | S | S | * | . | trans | -77 | 124.5 | 174.8 | -58.6 | -81.8 | 0 | 0 | 0 | 110.5 | D52 | D52-Y54 HydrophobicContact CB-CE2 4.19Å; D52-Y54 VanDerWaalsContact O-CD2 3.28Å; D52-Y54 WeakPolarHBondContact O-CD2 3.36Å; D52-Y54 WeakPolarHBondContact O-CE2 3.39Å; D52-Y54 PolarHBondContact O-N 3.47Å | ||
| 55 | W | 46.4 | Very low | 52.4 | Low | 43 Ų | 43 | 97.3 Ų | 97.3 | 16% | 0.163 | 49% | 0.489 | C | S | . | . | trans | -89.1 | 131.1 | 175.7 | -61.9 | 69.7 | 0 | 0 | 0 | 108.8 | V30 L53 I65 I136 | V30-W55 HydrophobicContact CB-CB 4.48Å; V30-W55 HydrophobicContact CB-CG 4.38Å; V30-W55 VanDerWaalsContact O-CD2 3.27Å; V30-W55 PolarHBondContact O-NE1 2.95Å; L53-W55 PolarHBondContact O-NE1 3.17Å; W55-I65 HydrophobicContact CE3-CG1 4.24Å; W55-I65 HydrophobicContact CH2-CD1 2.98Å; W55-I65 HydrophobicContact CH2-CG1 3.21Å; W55-I65 HydrophobicContact CZ2-CD1 3.74Å; W55-I65 HydrophobicContact CZ2-CG1 3.63Å; W55-I65 HydrophobicContact CZ2-CG2 4.35Å; W55-I65 HydrophobicContact CZ3-CD1 3.49Å; W55-I65 VanDerWaalsContact CZ3-CD1 3.49Å; W55-I65 HydrophobicContact CZ3-CG1 3.47Å; W55-I65 VanDerWaalsContact CZ3-CG1 3.47Å; W55-I136 HydrophobicContact CH2-CD1 4.02Å; W55-I136 HydrophobicContact CZ3-CD1 4.45Å | ||
| 56 | R | 41.7 | Very low | 51.2 | Low | 237 Ų | 237 | 91 Ų | 91 | 89% | 0.894 | 46% | 0.46 | S | S | * | . | trans | -107.6 | 102.7 | 167.3 | -72.6 | -170.4 | 178.9 | -167 | -0.9 | 108.9 | ||||
| 57 | P | 40.2 | Very low | 50.5 | Low | 73 Ų | 73 | 84.3 Ų | 84.3 | 47% | 0.474 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | 137.8 | 166.9 | -3.4 | 19.6 | 0 | 0 | 0 | 108.8 | I28 | I28-P57 WeakPolarHBondContact O-CD 2.79Å; I28-P57 WeakPolarHBondContact O-CG 3.26Å |
| 58 | G | 42 | Very low | 49.7 | Very low | 77 Ų | 77 | 81.8 Ų | 81.8 | 79% | 0.794 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 118.5 | 0.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 59 | S | 41.5 | Very low | 48.7 | Very low | 70 Ų | 70 | 82.2 Ų | 82.2 | 49% | 0.49 | 44% | 0.435 | S | S | . | . | trans | -91.3 | 115.9 | 162.7 | 176.2 | 0 | 0 | 0 | 0 | 108.2 | V61 | S59-V61 PolarHBondContact O-N 3.43Å; S59-V61 VanDerWaalsContact OG-CB 3.23Å; S59-V61 WeakPolarHBondContact OG-CB 3.37Å; S59-V61 PolarHBondContact OG-N 3.25Å; S59-V61 PolarHBondContact OG-O 2.8Å | ||
| 60 | N | 43.2 | Very low | 48.2 | Very low | 176 Ų | 176 | 82.1 Ų | 82.1 | 94% | 0.941 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -64 | 17.7 | 167.4 | -67.8 | -14.7 | 0 | 0 | 0 | 112.8 | ||
| 61 | V | 46 | Very low | 47.8 | Very low | 87 Ų | 87 | 81.7 Ų | 81.7 | 53% | 0.527 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -115.1 | 113.5 | 176.8 | -169.4 | 0 | 0 | 0 | 0 | 106.3 | S59 | S59-V61 PolarHBondContact O-N 3.43Å; S59-V61 VanDerWaalsContact OG-CB 3.23Å; S59-V61 WeakPolarHBondContact OG-CB 3.37Å; S59-V61 PolarHBondContact OG-N 3.25Å; S59-V61 PolarHBondContact OG-O 2.8Å |
| 62 | S | 45.8 | Very low | 47.5 | Very low | 22 Ų | 22 | 85.8 Ų | 85.8 | 15% | 0.154 | 46% | 0.464 | C | S | . | . | trans | -13.7 | 133.2 | 178.2 | 9.8 | 0 | 0 | 0 | 0 | 118.3 | N64 R160 A254 | S62-N64 PolarHBondContact O-N 2.91Å; S62-R160 PolarHBondContact OG-NH1 2.94Å; S62-A254 WeakPolarHBondContact CB-O 3.39Å; S62-A254 PolarHBondContact OG-O 3.34Å | ||
| 63 | H | 46 | Very low | 47.2 | Very low | 128 Ų | 128 | 89.1 Ų | 89.1 | 59% | 0.593 | 48% | 0.475 | S | S | * | . | trans | -46.4 | 98.4 | 165.3 | -48.6 | -51.4 | 0 | 0 | 0 | 112 | I65 | H63-I65 PolarHBondContact O-N 3.32Š| ||
| 64 | N | 49.8 | Very low | 46.6 | Very low | 49 Ų | 49 | 94.4 Ų | 94.4 | 26% | 0.262 | 50% | 0.502 | S | S | . | . | trans | -103.4 | 70.3 | -172.7 | -125.1 | -58.5 | 0 | 0 | 0 | 110.7 | S62 N66 A254 I255 | S62-N64 PolarHBondContact O-N 2.91Å; N64-N66 VanDerWaalsContact C-N 3.3Å; N64-N66 PolarHBondContact O-N 3.14Å; N64-N66 PolarHBondContact OD1-ND2 3.21Å; N64-A254 VanDerWaalsContact ND2-CB 3.31Å; N64-A254 WeakPolarHBondContact ND2-CB 3.04Å; N64-A254 PolarHBondContact ND2-O 3.22Å; N64-A254 WeakPolarHBondContact OD1-CB 3.33Å; N64-I255 WeakPolarHBondContact ND2-CG2 3.42Å; N64-I255 PolarHBondContact ND2-N 3.4Å | ||
| 65 | I | 53.2 | Low | 46.4 | Very low | 21 Ų | 21 | 97.4 Ų | 97.4 | 11% | 0.108 | 51% | 0.512 | C | S | . | . | trans | -83.6 | 83.5 | 176.8 | -46.6 | 148.3 | 0 | 0 | 0 | 106.9 | L53 W55 H63 L67 Y129 V133 | L53-I65 HydrophobicContact CD1-CG2 4.25Å; W55-I65 HydrophobicContact CE3-CG1 4.24Å; W55-I65 HydrophobicContact CH2-CD1 2.98Å; W55-I65 HydrophobicContact CH2-CG1 3.21Å; W55-I65 HydrophobicContact CZ2-CD1 3.74Å; W55-I65 HydrophobicContact CZ2-CG1 3.63Å; W55-I65 HydrophobicContact CZ2-CG2 4.35Å; W55-I65 HydrophobicContact CZ3-CD1 3.49Å; W55-I65 VanDerWaalsContact CZ3-CD1 3.49Å; W55-I65 HydrophobicContact CZ3-CG1 3.47Å; W55-I65 VanDerWaalsContact CZ3-CG1 3.47Å; H63-I65 PolarHBondContact O-N 3.32Å; I65-L67 PolarHBondContact O-N 3.16Å; I65-Y129 HydrophobicContact CB-CE2 3.72Å; I65-Y129 HydrophobicContact CD1-CE2 3.85Å; I65-Y129 HydrophobicContact CG1-CE2 4.46Å; I65-Y129 HydrophobicContact CG2-CD2 4.15Å; I65-Y129 HydrophobicContact CG2-CE2 3.56Å; I65-Y129 PolarHBondContact O-OH 2.78Å; I65-V133 HydrophobicContact CD1-CG2 3.43Å; I65-V133 VanDerWaalsContact CD1-CG2 3.43Å | ||
| 66 | N | 51.9 | Low | 46.2 | Very low | 8 Ų | 8 | 104.5 Ų | 104.5 | 4% | 0.043 | 54% | 0.544 | C | S | . | . | trans | -82.8 | 117.5 | 171 | -66.5 | -77 | 0 | 0 | 0 | 107.6 | N64 L68 I251 | N64-N66 VanDerWaalsContact C-N 3.3Å; N64-N66 PolarHBondContact O-N 3.14Å; N64-N66 PolarHBondContact OD1-ND2 3.21Å; N66-L68 HydrophobicContact CB-CB 4.4Å; N66-L68 PolarHBondContact O-N 3.44Å; N66-L68 VanDerWaalsContact O-N 3.09Å; N66-I251 HydrophobicContact CB-CD1 4.23Å; N66-I251 WeakPolarHBondContact ND2-CG1 3.3Å | ||
| 67 | L | 54.7 | Low | 46.5 | Very low | 51 Ų | 51 | 98.4 Ų | 98.4 | 27% | 0.267 | 54% | 0.538 | S | S | . | . | trans | -65.1 | -0.3 | 165.9 | -61.5 | 172 | 0 | 0 | 0 | 112.7 | I65 Y129 | I65-L67 PolarHBondContact O-N 3.16Å; L67-Y129 HydrophobicContact CD1-CD1 4.37Å; L67-Y129 HydrophobicContact CD1-CG 4.31Å; L67-Y129 HydrophobicContact CD2-CD2 4.39Å | ||
| 68 | L | 51.2 | Low | 46.8 | Very low | 76 Ų | 76 | 104.9 Ų | 104.9 | 40% | 0.398 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -77.8 | 135 | 176.7 | -66.8 | 171.5 | 0 | 0 | 0 | 109.6 | N66 Q70 I164 | N66-L68 HydrophobicContact CB-CB 4.4Å; N66-L68 PolarHBondContact O-N 3.44Å; N66-L68 VanDerWaalsContact O-N 3.09Å; L68-Q70 PolarHBondContact O-N 3.4Å; L68-I164 HydrophobicContact CD2-CD1 4.07Å |
| 69 | P | 47.1 | Very low | 47 | Very low | 79 Ų | 79 | 112.6 Ų | 112.6 | 51% | 0.513 | 56% | 0.564 | S | S | . | * | trans | -59.6 | 113.5 | 175.9 | 24.9 | -33.3 | 0 | 0 | 0 | 109.4 | Q50 S71 | Q50-P69 VanDerWaalsContact CD-CB 3.46Å; Q50-P69 HydrophobicContact CG-CB 4.31Å; Q50-P69 VanDerWaalsContact OE1-CB 3.26Å; P69-S71 PolarHBondContact O-N 3.32Å | ||
| 70 | Q | 47.7 | Very low | 47 | Very low | 124 Ų | 124 | 118.6 Ų | 118.6 | 58% | 0.579 | 58% | 0.581 | S | S | * | * | trans | -66.9 | 132.7 | 170.8 | -65.4 | -165.3 | 5 | 0 | 0 | 108.3 | L68 T72 | L68-Q70 PolarHBondContact O-N 3.4Å; Q70-T72 PolarHBondContact O-N 2.97Å | ||
| 71 | S | 47.4 | Very low | 47.1 | Very low | 98 Ų | 98 | 121.7 Ų | 121.7 | 69% | 0.685 | 58% | 0.58 | S | S | * | * | trans | -60.5 | 110.5 | 177.5 | 176.8 | 0 | 0 | 0 | 0 | 110.1 | P69 K73 | P69-S71 PolarHBondContact O-N 3.32Å; S71-K73 PolarHBondContact O-N 2.88Å | ||
| 72 | T | 46.3 | Very low | 47.1 | Very low | 97 Ų | 97 | 125.4 Ų | 125.4 | 60% | 0.595 | 60% | 0.596 | S | S | * | * | trans | -76.6 | 26 | 178.7 | 51 | 0 | 0 | 0 | 0 | 113.7 | Q70 I74 | Q70-T72 PolarHBondContact O-N 2.97Å; T72-I74 VanDerWaalsContact C-N 3.3Å; T72-I74 PolarHBondContact O-N 3.37Å | ||
| 73 | K | 46 | Very low | 47 | Very low | 136 Ų | 136 | 129.1 Ų | 129.1 | 59% | 0.591 | 62% | 0.622 | S | S | * | * | trans | -72 | 91.8 | 173.6 | -73.3 | -168.4 | 178.4 | -172.9 | 0 | 109 | S71 R75 | S71-K73 PolarHBondContact O-N 2.88Å; K73-R75 PolarHBondContact O-N 2.75Å | ||
| 74 | I | 42.9 | Very low | 47.1 | Very low | 151 Ų | 151 | 127.7 Ų | 127.7 | 77% | 0.774 | 63% | 0.626 | S | S | * | * | trans | -48.9 | 102.9 | 166.3 | -61.3 | 169.5 | 0 | 0 | 0 | 107 | T72 K76 | T72-I74 VanDerWaalsContact C-N 3.3Å; T72-I74 PolarHBondContact O-N 3.37Å; I74-K76 VanDerWaalsContact C-N 3.26Å; I74-K76 HydrophobicContact CG2-CG 4.42Å; I74-K76 PolarHBondContact O-N 2.75Å | ||
| 75 | R | 44.1 | Very low | 47 | Very low | 242 Ų | 242 | 131 Ų | 131 | 91% | 0.913 | 65% | 0.648 | S | S | * | * | trans | -71.3 | 90 | 171.3 | -121.9 | -177.2 | 164.7 | -168.3 | -4.1 | 105.7 | K73 S77 | K73-R75 PolarHBondContact O-N 2.75Å; R75-S77 PolarHBondContact O-N 3.09Å | ||
| 76 | K | 42.1 | Very low | 46.7 | Very low | 192 Ų | 192 | 137.1 Ų | 137.1 | 84% | 0.835 | 68% | 0.681 | S | S | * | * | trans | -57.2 | 109.8 | 165.3 | -71.6 | -172.6 | 177.3 | -177.4 | 0 | 106.7 | I74 K78 | I74-K76 VanDerWaalsContact C-N 3.26Å; I74-K76 HydrophobicContact CG2-CG 4.42Å; I74-K76 PolarHBondContact O-N 2.75Å; K76-K78 PolarHBondContact O-N 3.48Å | ||
| 77 | S | 47.7 | Very low | 46.4 | Very low | 109 Ų | 109 | 144.5 Ų | 144.5 | 76% | 0.762 | 72% | 0.721 | S | S | * | * | trans | -60.7 | 120.2 | 172.7 | 51.6 | 0 | 0 | 0 | 0 | 107.6 | R75 R79 | R75-S77 PolarHBondContact O-N 3.09Å; S77-R79 PolarHBondContact O-N 3.36Å | ||
| 78 | K | 46.3 | Very low | 46.4 | Very low | 209 Ų | 209 | 149.2 Ų | 149.2 | 91% | 0.909 | 75% | 0.745 | S | S | * | * | trans | -65.7 | 106.2 | 167.6 | -85.1 | -173.4 | 172.7 | -173.2 | 0 | 107.1 | K76 K80 | K76-K78 PolarHBondContact O-N 3.48Å; K78-K80 PolarHBondContact O-N 3.16Å | ||
| 79 | R | 45.9 | Very low | 46.3 | Very low | 240 Ų | 240 | 151.4 Ų | 151.4 | 91% | 0.906 | 76% | 0.764 | S | S | * | * | trans | -55.4 | 127.4 | 163.7 | -107.6 | 175.1 | 164 | 168.3 | -5.9 | 108.5 | S77 R81 | S77-R79 PolarHBondContact O-N 3.36Å; R79-R81 PolarHBondContact O-N 2.97Å | ||
| 80 | K | 42 | Very low | 46.4 | Very low | 195 Ų | 195 | 155 Ų | 155 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | trans | -51.1 | 128.4 | 164.9 | -85.9 | 176.9 | 170.1 | 179.1 | 0 | 109.1 | K78 | K78-K80 PolarHBondContact O-N 3.16Š| ||
| 81 | R | 44.3 | Very low | 46.5 | Very low | 242 Ų | 242 | 158.3 Ų | 158.3 | 91% | 0.913 | 79% | 0.79 | S | S | * | * | trans | -110.5 | 120.8 | 151 | -79.3 | -170.8 | 173.2 | -179.6 | -2.3 | 106.6 | R79 | R79-R81 PolarHBondContact O-N 2.97Š| ||
| 82 | L | 46.2 | Very low | 46.8 | Very low | 164 Ų | 164 | 159.8 Ų | 159.8 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | trans | -85.8 | 128.4 | 167.2 | -75.4 | 150.7 | 0 | 0 | 0 | 107.2 | ||||
| 83 | S | 45.1 | Very low | 46.9 | Very low | 100 Ų | 100 | 164.4 Ų | 164.4 | 70% | 0.699 | 81% | 0.806 | S | S | * | * | trans | -172.7 | 101.6 | 157 | -1.8 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 84 | S | 47.9 | Very low | 47.2 | Very low | 98 Ų | 98 | 168.7 Ų | 168.7 | 69% | 0.685 | 82% | 0.819 | S | S | * | * | 85.1 | 119.5 | 89.9 | 73.5 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 85 | T | 46.5 | Very low | 47.5 | Very low | 119 Ų | 119 | 167 Ų | 167 | 73% | 0.73 | 82% | 0.818 | S | S | * | * | trans | 72.9 | 133.8 | 149.2 | 59.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 86 | D | 47.6 | Very low | 47.7 | Very low | 149 Ų | 149 | 162.9 Ų | 162.9 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | 103.9 | 111.2 | 155 | -52.5 | -23 | 0 | 0 | 0 | 118.1 | L88 | D86-L88 PolarHBondContact O-N 3.36Š| ||
| 87 | D | 46.2 | Very low | 48.2 | Very low | 163 Ų | 163 | 159.4 Ų | 159.4 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | trans | -62.7 | 107.9 | -176.8 | -66.8 | -53.7 | 0 | 0 | 0 | 112.4 | ||||
| 88 | L | 54 | Low | 48.4 | Very low | 150 Ų | 150 | 163.5 Ų | 163.5 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | -143.5 | 137.8 | 157.1 | -82.5 | 167.8 | 0 | 0 | 0 | 108.8 | D86 I90 | D86-L88 PolarHBondContact O-N 3.36Å; L88-I90 PolarHBondContact O-N 3.29Å | ||
| 89 | P | 48.9 | Very low | 48.4 | Very low | 122 Ų | 122 | 161.1 Ų | 161.1 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | trans | -62.8 | 110.3 | -178.3 | 25.1 | -31.9 | 0 | 0 | 0 | 109.6 | K91 | P89-K91 PolarHBondContact O-N 2.97Š| ||
| 90 | I | 50.1 | Low | 48.7 | Very low | 156 Ų | 156 | 157.7 Ų | 157.7 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | -64.6 | 99.3 | 178.5 | -62.8 | 172.4 | 0 | 0 | 0 | 107.9 | L88 V92 | L88-I90 PolarHBondContact O-N 3.29Å; I90-V92 PolarHBondContact O-N 2.98Å | ||
| 91 | K | 48.6 | Very low | 48.8 | Very low | 192 Ų | 192 | 154 Ų | 154 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | -51.3 | 110.5 | 162 | -87 | 179.1 | 176.4 | 173 | 0 | 107.8 | P89 K93 | P89-K91 PolarHBondContact O-N 2.97Å; K91-K93 VanDerWaalsContact C-N 3.26Å; K91-K93 PolarHBondContact O-N 3.41Å | ||
| 92 | V | 53.7 | Low | 48.9 | Very low | 130 Ų | 130 | 150 Ų | 150 | 79% | 0.788 | 78% | 0.782 | S | S | * | * | trans | -62 | 88.4 | 174.6 | -176.9 | 0 | 0 | 0 | 0 | 108.4 | I90 R94 | I90-V92 PolarHBondContact O-N 2.98Å; V92-R94 PolarHBondContact O-N 3.41Å | ||
| 93 | K | 48.3 | Very low | 48.7 | Very low | 193 Ų | 193 | 145.6 Ų | 145.6 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | trans | -66.3 | 99.7 | 167.9 | -75.7 | -176.3 | 178.1 | 177 | 0 | 107 | K91 | K91-K93 VanDerWaalsContact C-N 3.26Å; K91-K93 PolarHBondContact O-N 3.41Å | ||
| 94 | R | 51.9 | Low | 48.6 | Very low | 226 Ų | 226 | 151 Ų | 151 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | -42.2 | 122.9 | 169.1 | -72.8 | 177.3 | 175 | 158.3 | -2.2 | 108.4 | V92 H96 | V92-R94 PolarHBondContact O-N 3.41Å; R94-H96 PolarHBondContact O-N 3.37Å | ||
| 95 | P | 49.4 | Very low | 48.5 | Very low | 116 Ų | 116 | 149.9 Ų | 149.9 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | trans | -62.3 | 129.2 | -179 | 25.1 | -31.5 | 0 | 0 | 0 | 108.2 | S97 | P95-S97 VanDerWaalsContact C-N 3.31Å; P95-S97 PolarHBondContact O-N 3.33Å | ||
| 96 | H | 48.8 | Very low | 48.4 | Very low | 156 Ų | 156 | 151.5 Ų | 151.5 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | trans | -51.1 | 89.9 | 172.9 | -72 | -81.7 | 0 | 0 | 0 | 111.1 | R94 K98 | R94-H96 PolarHBondContact O-N 3.37Å; H96-K98 PolarHBondContact O-N 3.27Å | ||
| 97 | S | 53.3 | Low | 48.4 | Very low | 119 Ų | 119 | 149.7 Ų | 149.7 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | -77.1 | -7.8 | 167.5 | 59.8 | 0 | 0 | 0 | 0 | 112 | P95 K99 | P95-S97 VanDerWaalsContact C-N 3.31Å; P95-S97 PolarHBondContact O-N 3.33Å; S97-K99 PolarHBondContact O-N 3.39Å | ||
| 98 | K | 50.9 | Low | 48.6 | Very low | 195 Ų | 195 | 149.1 Ų | 149.1 | 85% | 0.848 | 76% | 0.756 | S | S | * | * | trans | -88.4 | 47.6 | 178.3 | -60.7 | -172 | 179.6 | -177.8 | 0 | 113.6 | H96 | H96-K98 PolarHBondContact O-N 3.27Š| ||
| 99 | K | 47.7 | Very low | 48.7 | Very low | 159 Ų | 159 | 149.7 Ų | 149.7 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | trans | -147.9 | 51.3 | 176 | -72.9 | -164.9 | 178.2 | 179 | 0 | 114.6 | S97 | S97-K99 PolarHBondContact O-N 3.39Š| ||
| 100 | K | 50.2 | Low | 49.5 | Very low | 167 Ų | 167 | 150.6 Ų | 150.6 | 73% | 0.726 | 75% | 0.746 | S | S | * | * | trans | -149.7 | 50.1 | 152 | -68.3 | -166.6 | -174.3 | 170.5 | 0 | 111.4 | F102 | K100-F102 PolarHBondContact O-N 2.97Å; K100-F102 VanDerWaalsContact O-N 3.17Å | ||
| 101 | S | 45.9 | Very low | 50.4 | Low | 117 Ų | 117 | 145.7 Ų | 145.7 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | -78.8 | 53.4 | 142.9 | 170.4 | 0 | 0 | 0 | 0 | 107.2 | S103 | S101-S103 PolarHBondContact O-N 3.49Å; S101-S103 VanDerWaalsContact O-N 3.16Å | ||
| 102 | F | 46.6 | Very low | 51.8 | Low | 158 Ų | 158 | 141.3 Ų | 141.3 | 69% | 0.693 | 72% | 0.718 | S | S | * | * | trans | -72.6 | 109.6 | 166 | -107.9 | -96.7 | 0 | 0 | 0 | 103.2 | K100 | K100-F102 PolarHBondContact O-N 2.97Å; K100-F102 VanDerWaalsContact O-N 3.17Å | ||
| 103 | S | 40.6 | Very low | 53.2 | Low | 72 Ų | 72 | 137.1 Ų | 137.1 | 50% | 0.503 | 70% | 0.697 | S | S | . | * | trans | 64.8 | 81.6 | 159.7 | 64.1 | 0 | 0 | 0 | 0 | 116.5 | S101 S105 | S101-S103 PolarHBondContact O-N 3.49Å; S101-S103 VanDerWaalsContact O-N 3.16Å; S103-S105 CarbonylContact C-O 3.48Å; S103-S105 WeakPolarHBondContact CA-OG 3.45Å; S103-S105 VanDerWaalsContact CB-O 3.26Å; S103-S105 WeakPolarHBondContact CB-O 2.93Å; S103-S105 WeakPolarHBondContact CB-OG 3.47Å; S103-S105 PolarHBondContact O-N 2.96Å | ||
| 104 | K | 44.6 | Very low | 54.9 | Low | 215 Ų | 215 | 129 Ų | 129 | 94% | 0.935 | 66% | 0.663 | S | S | * | * | S | Bend | -62.9 | -1.7 | 128.4 | -95.1 | -175.1 | 177.7 | -178.6 | 0 | 111.4 | |||
| 105 | S | 44.5 | Very low | 56.6 | Low | 73 Ų | 73 | 121.5 Ų | 121.5 | 51% | 0.51 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.1 | 142.6 | 159.5 | 76.9 | 0 | 0 | 0 | 0 | 109.1 | S103 | S103-S105 CarbonylContact C-O 3.48Å; S103-S105 WeakPolarHBondContact CA-OG 3.45Å; S103-S105 VanDerWaalsContact CB-O 3.26Å; S103-S105 WeakPolarHBondContact CB-O 2.93Å; S103-S105 WeakPolarHBondContact CB-OG 3.47Å; S103-S105 PolarHBondContact O-N 2.96Å |
| 106 | I | 45.1 | Very low | 58.4 | Low | 154 Ų | 154 | 117.1 Ų | 117.1 | 79% | 0.79 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -145.5 | 63.1 | 27.4 | -55.9 | 164.5 | 0 | 0 | 0 | 106 | ||
| 107 | I | 47.5 | Very low | 60.4 | Low | 111 Ų | 111 | 114 Ų | 114 | 57% | 0.569 | 60% | 0.604 | S | S | * | * | trans | -142 | 88.6 | 166.2 | -56.8 | -176.8 | 0 | 0 | 0 | 106.5 | H109 | I107-H109 WeakPolarHBondContact CG2-O 3.43Å; I107-H109 PolarHBondContact O-N 3.23Å | ||
| 108 | N | 50.2 | Low | 62.1 | Low | 150 Ų | 150 | 113.3 Ų | 113.3 | 80% | 0.802 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -66.5 | -19 | 179.3 | -67.8 | -9.5 | 0 | 0 | 0 | 112.3 | ||
| 109 | H | 55.9 | Low | 64 | Low | 162 Ų | 162 | 104.1 Ų | 104.1 | 75% | 0.75 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -132.8 | 111.4 | 174.5 | -62.4 | -76 | 0 | 0 | 0 | 109.1 | I107 P111 | I107-H109 WeakPolarHBondContact CG2-O 3.43Å; I107-H109 PolarHBondContact O-N 3.23Å; H109-P111 WeakPolarHBondContact O-CD 3.46Å |
| 110 | K | 66.1 | Low | 66 | Low | 142 Ų | 142 | 99.7 Ų | 99.7 | 62% | 0.617 | 53% | 0.534 | S | S | * | . | trans | -46.9 | 115.2 | 173.1 | -179.2 | -176.5 | -179.4 | -174.9 | 0 | 107.4 | S112 T208 | K110-S112 PolarHBondContact O-N 3.06Å; K110-T208 PolarHBondContact NZ-OG1 3.29Å | ||
| 111 | P | 68.4 | Low | 68 | Low | 53 Ų | 53 | 96 Ų | 96 | 34% | 0.344 | 52% | 0.518 | S | S | . | . | trans | -58.8 | 118.2 | -178.4 | 23 | -33.7 | 0 | 0 | 0 | 107.2 | H109 A113 L206 | H109-P111 WeakPolarHBondContact O-CD 3.46Å; P111-A113 VanDerWaalsContact C-N 3.28Å; P111-L206 HydrophobicContact CG-CD1 4.39Å; P111-L206 WeakPolarHBondContact O-CD1 3.22Å | ||
| 112 | S | 78.3 | Confident | 70.2 | Confident | 99 Ų | 99 | 92.7 Ų | 92.7 | 69% | 0.692 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -74.9 | -28.3 | 177.8 | -170.2 | 0 | 0 | 0 | 0 | 110.7 | K110 L206 | K110-S112 PolarHBondContact O-N 3.06Å; S112-L206 PolarHBondContact O-N 3.45Å |
| 113 | A | 82.2 | Confident | 72.4 | Confident | 42 Ų | 42 | 86.5 Ų | 86.5 | 35% | 0.347 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 149.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P111 L203 M204 | P111-A113 VanDerWaalsContact C-N 3.28Å; A113-L203 HydrophobicContact CB-CB 4.25Å; A113-L203 HydrophobicContact CB-CD2 4.44Å; A113-M204 CarbonylContact C-O 3.53Å; A113-M204 VanDerWaalsContact CA-O 3.22Å; A113-M204 WeakPolarHBondContact CA-O 3.36Å |
| 114 | I | 85.3 | Confident | 74.9 | Confident | 23 Ų | 23 | 90.2 Ų | 90.2 | 12% | 0.118 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 140.8 | 176 | -69.8 | -176.9 | 0 | 0 | 0 | 108.3 | S116 L118 I185 M204 L206 | I114-S116 PolarHBondContact O-N 2.98Å; I114-L118 HydrophobicContact CG2-CB 4.33Å; I114-L118 HydrophobicContact CG2-CD2 4.13Å; I114-I185 HydrophobicContact CB-CD1 4.39Å; I114-I185 HydrophobicContact CD1-CD1 3.54Å; I114-I185 HydrophobicContact CD1-CG2 4.09Å; I114-I185 HydrophobicContact CG1-CD1 4.48Å; I114-I185 HydrophobicContact CG2-CD1 4.23Å; I114-M204 PolarHBondContact N-O 2.99Å; I114-M204 PolarHBondContact O-N 3.2Å; I114-L206 HydrophobicContact CB-CD2 4.26Å; I114-L206 HydrophobicContact CD1-CD1 3.54Å; I114-L206 HydrophobicContact CD1-CD2 3.8Å; I114-L206 HydrophobicContact CD1-CG 4.17Å; I114-L206 HydrophobicContact CG1-CD1 3.85Å; I114-L206 HydrophobicContact CG1-CD2 3.97Å; I114-L206 HydrophobicContact CG1-CG 4.17Å |
| 115 | P | 87.2 | Confident | 77.1 | Confident | 69 Ų | 69 | 81.1 Ų | 81.1 | 45% | 0.448 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 131.8 | 174.8 | 24 | -34.6 | 0 | 0 | 0 | 111.3 | N117 L118 | P115-N117 PolarHBondContact O-N 2.8Å; P115-L118 HydrophobicContact CG-CB 4.14Å; P115-L118 PolarHBondContact O-N 2.84Å |
| 116 | S | 87.4 | Confident | 79.4 | Confident | 23 Ų | 23 | 77.7 Ų | 77.7 | 16% | 0.161 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -55.8 | -37.7 | -176.7 | 60.9 | 0 | 0 | 0 | 0 | 112.8 | I114 L118 S119 I120 Q202 | I114-S116 PolarHBondContact O-N 2.98Å; S116-L118 VanDerWaalsContact C-N 3.28Å; S116-L118 PolarHBondContact O-N 2.82Å; S116-S119 PolarHBondContact O-N 3.37Å; S116-I120 WeakPolarHBondContact O-CD1 3.29Å; S116-I120 VanDerWaalsContact O-CG1 3.26Å; S116-I120 WeakPolarHBondContact O-CG1 3.43Å; S116-I120 PolarHBondContact O-N 3.27Å; S116-Q202 WeakPolarHBondContact CB-O 2.95Å; S116-Q202 PolarHBondContact N-O 3.37Å; S116-Q202 PolarHBondContact OG-O 3.15Å |
| 117 | N | 89.7 | Confident | 81.5 | Confident | 90 Ų | 90 | 71.2 Ų | 71.2 | 48% | 0.481 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -55.5 | -41.6 | 178 | -171.6 | -9 | 0 | 0 | 0 | 112.3 | P115 K121 | P115-N117 PolarHBondContact O-N 2.8Å; N117-K121 WeakPolarHBondContact O-CB 3.48Å; N117-K121 WeakPolarHBondContact O-CG 3.26Å; N117-K121 PolarHBondContact O-N 2.81Å; N117-K121 WeakPolarHBondContact OD1-CD 3.42Å; N117-K121 WeakPolarHBondContact OD1-CE 3.23Å; N117-K121 PolarHBondContact OD1-NZ 3.16Å |
| 118 | L | 89.9 | Confident | 83.4 | Confident | 106 Ų | 106 | 66.1 Ų | 66.1 | 56% | 0.555 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -67.5 | -45.1 | -179.4 | -176.9 | 63.5 | 0 | 0 | 0 | 111.3 | I114 P115 S116 I120 K121 L122 | I114-L118 HydrophobicContact CG2-CB 4.33Å; I114-L118 HydrophobicContact CG2-CD2 4.13Å; P115-L118 HydrophobicContact CG-CB 4.14Å; P115-L118 PolarHBondContact O-N 2.84Å; S116-L118 VanDerWaalsContact C-N 3.28Å; S116-L118 PolarHBondContact O-N 2.82Å; L118-I120 VanDerWaalsContact C-N 3.35Å; L118-I120 PolarHBondContact O-N 2.98Å; L118-K121 PolarHBondContact O-N 3.07Å; L118-L122 WeakPolarHBondContact O-CB 3.47Å; L118-L122 PolarHBondContact O-N 3Å |
| 119 | S | 89.9 | Confident | 85.3 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.007 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 178.1 | -52.1 | 0 | 0 | 0 | 0 | 111.6 | S116 L122 H123 M204 | S116-S119 PolarHBondContact O-N 3.37Å; S119-L122 WeakPolarHBondContact O-CB 2.9Å; S119-L122 PolarHBondContact O-N 3.34Å; S119-H123 PolarHBondContact O-N 2.94Å; S119-M204 WeakPolarHBondContact CB-SD 3.22Å; S119-M204 PolarHBondContact OG-SD 3.41Å |
| 120 | I | 90.6 | Very high | 86.7 | Confident | 67 Ų | 67 | 51.8 Ų | 51.8 | 34% | 0.344 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.4 | -44.2 | 178.4 | -67.6 | 164.8 | 0 | 0 | 0 | 110.9 | S116 L118 L122 H123 Y124 M204 | S116-I120 WeakPolarHBondContact O-CD1 3.29Å; S116-I120 VanDerWaalsContact O-CG1 3.26Å; S116-I120 WeakPolarHBondContact O-CG1 3.43Å; S116-I120 PolarHBondContact O-N 3.27Å; L118-I120 VanDerWaalsContact C-N 3.35Å; L118-I120 PolarHBondContact O-N 2.98Å; I120-L122 VanDerWaalsContact C-N 3.3Å; I120-L122 PolarHBondContact O-N 3.42Å; I120-H123 WeakPolarHBondContact O-CB 3.21Å; I120-H123 PolarHBondContact O-N 3.17Å; I120-H123 VanDerWaalsContact O-N 3.13Å; I120-Y124 HydrophobicContact CG2-CD2 3.81Å; I120-Y124 HydrophobicContact CG2-CE2 3.34Å; I120-Y124 VanDerWaalsContact O-CD2 3.29Å; I120-Y124 WeakPolarHBondContact O-CD2 3.43Å; I120-Y124 PolarHBondContact O-N 3.31Å; I120-M204 HydrophobicContact CG1-CE 4.3Å |
| 121 | K | 91.8 | Very high | 87.5 | Confident | 90 Ų | 90 | 48.7 Ų | 48.7 | 39% | 0.391 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60 | -40.4 | 174.2 | -78.1 | 173.8 | 174 | 170.2 | 0 | 112.2 | N117 L118 H123 Y124 L125 | N117-K121 WeakPolarHBondContact O-CB 3.48Å; N117-K121 WeakPolarHBondContact O-CG 3.26Å; N117-K121 PolarHBondContact O-N 2.81Å; N117-K121 WeakPolarHBondContact OD1-CD 3.42Å; N117-K121 WeakPolarHBondContact OD1-CE 3.23Å; N117-K121 PolarHBondContact OD1-NZ 3.16Å; L118-K121 PolarHBondContact O-N 3.07Å; K121-H123 VanDerWaalsContact C-N 3.31Å; K121-Y124 PolarHBondContact O-N 3.44Å; K121-L125 PolarHBondContact O-N 2.79Å |
| 122 | L | 92.9 | Very high | 88.1 | Confident | 47 Ų | 47 | 47.3 Ų | 47.3 | 25% | 0.246 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 175 | -178.2 | 64.6 | 0 | 0 | 0 | 111.4 | L118 S119 I120 L125 W126 I164 | L118-L122 WeakPolarHBondContact O-CB 3.47Å; L118-L122 PolarHBondContact O-N 3Å; S119-L122 WeakPolarHBondContact O-CB 2.9Å; S119-L122 PolarHBondContact O-N 3.34Å; I120-L122 VanDerWaalsContact C-N 3.3Å; I120-L122 PolarHBondContact O-N 3.42Å; L122-L125 WeakPolarHBondContact O-CB 3.16Å; L122-L125 PolarHBondContact O-N 3.11Å; L122-W126 PolarHBondContact O-N 3.36Å; L122-I164 HydrophobicContact CD2-CG2 4.27Å |
| 123 | H | 93 | Very high | 88.1 | Confident | 27 Ų | 27 | 43.2 Ų | 43.2 | 13% | 0.125 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.4 | -43.4 | 175.2 | 178.9 | 63.9 | 0 | 0 | 0 | 112.7 | S119 I120 K121 L125 W126 N127 G165 I183 | S119-H123 PolarHBondContact O-N 2.94Å; I120-H123 WeakPolarHBondContact O-CB 3.21Å; I120-H123 PolarHBondContact O-N 3.17Å; I120-H123 VanDerWaalsContact O-N 3.13Å; K121-H123 VanDerWaalsContact C-N 3.31Å; H123-L125 VanDerWaalsContact C-N 3.32Å; H123-L125 PolarHBondContact O-N 3.43Å; H123-W126 PolarHBondContact O-N 2.94Å; H123-W126 VanDerWaalsContact O-N 3.17Å; H123-N127 PolarHBondContact CD2-ND2 3.21Å; H123-N127 PolarHBondContact CE1-OD1 3.13Å; H123-N127 PolarHBondContact NE2-ND2 3.46Å; H123-N127 PolarHBondContact O-N 3.1Å; H123-G165 WeakPolarHBondContact CA-O 3.27Å; H123-G165 PolarHBondContact ND1-O 2.88Å; H123-G165 VanDerWaalsContact ND1-O 3.1Å; H123-I183 HydrophobicContact CB-CD1 3.84Å; H123-I183 HydrophobicContact CB-CG1 4.26Å; H123-I183 HydrophobicContact CB-CG2 4.34Å |
| 124 | Y | 91.4 | Very high | 87.8 | Confident | 150 Ų | 150 | 41.9 Ų | 41.9 | 59% | 0.588 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -61.6 | -39.4 | 173.5 | -72 | -53.9 | 0 | 0 | 0 | 112.9 | I120 K121 W126 N127 G128 | I120-Y124 HydrophobicContact CG2-CD2 3.81Å; I120-Y124 HydrophobicContact CG2-CE2 3.34Å; I120-Y124 VanDerWaalsContact O-CD2 3.29Å; I120-Y124 WeakPolarHBondContact O-CD2 3.43Å; I120-Y124 PolarHBondContact O-N 3.31Å; K121-Y124 PolarHBondContact O-N 3.44Å; Y124-W126 VanDerWaalsContact C-N 3.32Å; Y124-N127 PolarHBondContact O-N 3.48Å; Y124-G128 PolarHBondContact O-N 3.38Å; Y124-G128 VanDerWaalsContact O-N 3.13Å |
| 125 | L | 92.1 | Very high | 86.9 | Confident | 24 Ų | 24 | 43.9 Ų | 43.9 | 13% | 0.126 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.8 | -44.5 | 173.9 | 177.8 | 63.3 | 0 | 0 | 0 | 111.1 | F34 F38 K121 L122 H123 G128 Y129 | F34-L125 HydrophobicContact CE1-CD1 3.98Å; F38-L125 HydrophobicContact CB-CD1 4.1Å; F38-L125 HydrophobicContact CD1-CD1 3.69Å; F38-L125 HydrophobicContact CD1-CD2 4.19Å; F38-L125 HydrophobicContact CD1-CG 4.45Å; F38-L125 HydrophobicContact CD2-CD1 4.32Å; F38-L125 HydrophobicContact CE1-CD1 4.18Å; F38-L125 HydrophobicContact CE1-CD2 3.97Å; F38-L125 HydrophobicContact CE1-CG 4.48Å; F38-L125 HydrophobicContact CG-CD1 3.77Å; F38-L125 HydrophobicContact CZ-CB 4.48Å; K121-L125 PolarHBondContact O-N 2.79Å; L122-L125 WeakPolarHBondContact O-CB 3.16Å; L122-L125 PolarHBondContact O-N 3.11Å; H123-L125 VanDerWaalsContact C-N 3.32Å; H123-L125 PolarHBondContact O-N 3.43Å; L125-G128 PolarHBondContact O-N 2.83Å; L125-Y129 PolarHBondContact O-N 3.03Å |
| 126 | W | 93.2 | Very high | 85.7 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.4 | -40.1 | 178.3 | -173.8 | 85.7 | 0 | 0 | 0 | 112.2 | L122 H123 Y124 G128 Y129 F130 N162 L163 A166 L218 L220 | L122-W126 PolarHBondContact O-N 3.36Å; H123-W126 PolarHBondContact O-N 2.94Å; H123-W126 VanDerWaalsContact O-N 3.17Å; Y124-W126 VanDerWaalsContact C-N 3.32Å; W126-G128 PolarHBondContact O-N 2.88Å; W126-Y129 WeakPolarHBondContact O-CB 3.48Å; W126-Y129 PolarHBondContact O-N 3.44Å; W126-F130 HydrophobicContact CE3-CB 4.44Å; W126-F130 HydrophobicContact CH2-CB 4.25Å; W126-F130 AromaticContact CH2-CD2 3.92Å; W126-F130 HydrophobicContact CH2-CD2 3.92Å; W126-F130 HydrophobicContact CH2-CG 4.2Å; W126-F130 HydrophobicContact CZ2-CB 4.49Å; W126-F130 HydrophobicContact CZ2-CD2 4.22Å; W126-F130 HydrophobicContact CZ3-CB 4.23Å; W126-F130 HydrophobicContact CZ3-CG 4.43Å; W126-F130 WeakPolarHBondContact O-CB 3.18Å; W126-F130 PolarHBondContact O-N 3.1Å; W126-N162 PolarHBondContact NE1-O 3.04Å; W126-L163 HydrophobicContact CZ2-CD2 4.4Å; W126-A166 HydrophobicContact CD2-CB 3.9Å; W126-A166 HydrophobicContact CE3-CB 4.22Å; W126-A166 HydrophobicContact CH2-CB 3.98Å; W126-A166 HydrophobicContact CZ2-CB 3.61Å; W126-A166 HydrophobicContact CZ3-CB 4.26Å; W126-L218 HydrophobicContact CH2-CD1 3.84Å; W126-L218 HydrophobicContact CH2-CD2 4.41Å; W126-L218 HydrophobicContact CZ2-CD1 4.34Å; W126-L220 HydrophobicContact CH2-CD2 3.64Å; W126-L220 HydrophobicContact CZ3-CD2 4.12Å |
| 127 | N | 89.3 | Confident | 84.3 | Confident | 18 Ų | 18 | 44.6 Ų | 44.6 | 10% | 0.096 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.6 | -45.9 | 175.1 | -72.1 | -17.4 | 0 | 0 | 0 | 111.5 | H123 Y124 Y129 F130 Q131 P221 | H123-N127 PolarHBondContact CD2-ND2 3.21Å; H123-N127 PolarHBondContact CE1-OD1 3.13Å; H123-N127 PolarHBondContact NE2-ND2 3.46Å; H123-N127 PolarHBondContact O-N 3.1Å; Y124-N127 PolarHBondContact O-N 3.48Å; N127-Y129 VanDerWaalsContact C-N 3.35Å; N127-Y129 PolarHBondContact O-N 3.21Å; N127-F130 PolarHBondContact O-N 2.95Å; N127-Q131 WeakPolarHBondContact O-CB 3.49Å; N127-Q131 VanDerWaalsContact O-CG 3.26Å; N127-Q131 WeakPolarHBondContact O-CG 3.4Å; N127-Q131 PolarHBondContact O-N 3.13Å; N127-P221 HydrophobicContact CB-CB 4.48Å; N127-P221 HydrophobicContact CB-CG 3.92Å; N127-P221 WeakPolarHBondContact OD1-CG 3.31Å |
| 128 | G | 86.8 | Confident | 82.5 | Confident | 5 Ų | 5 | 42.2 Ų | 42.2 | 5% | 0.052 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.2 | -35.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y124 L125 W126 S132 | Y124-G128 PolarHBondContact O-N 3.38Å; Y124-G128 VanDerWaalsContact O-N 3.13Å; L125-G128 PolarHBondContact O-N 2.83Å; W126-G128 PolarHBondContact O-N 2.88Å; G128-S132 WeakPolarHBondContact O-CB 3.5Å; G128-S132 PolarHBondContact O-N 3.17Å; G128-S132 PolarHBondContact O-OG 2.94Å |
| 129 | Y | 89.1 | Confident | 80.3 | Confident | 9 Ų | 9 | 42 Ų | 42 | 4% | 0.035 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.2 | -51.1 | 170.5 | 161.7 | -106.9 | 0 | 0 | 0 | 111.4 | I65 L67 L125 W126 N127 Q131 S132 V133 L161 | I65-Y129 HydrophobicContact CB-CE2 3.72Å; I65-Y129 HydrophobicContact CD1-CE2 3.85Å; I65-Y129 HydrophobicContact CG1-CE2 4.46Å; I65-Y129 HydrophobicContact CG2-CD2 4.15Å; I65-Y129 HydrophobicContact CG2-CE2 3.56Å; I65-Y129 PolarHBondContact O-OH 2.78Å; L67-Y129 HydrophobicContact CD1-CD1 4.37Å; L67-Y129 HydrophobicContact CD1-CG 4.31Å; L67-Y129 HydrophobicContact CD2-CD2 4.39Å; L125-Y129 PolarHBondContact O-N 3.03Å; W126-Y129 WeakPolarHBondContact O-CB 3.48Å; W126-Y129 PolarHBondContact O-N 3.44Å; N127-Y129 VanDerWaalsContact C-N 3.35Å; N127-Y129 PolarHBondContact O-N 3.21Å; Y129-Q131 PolarHBondContact O-N 2.83Å; Y129-S132 WeakPolarHBondContact O-CB 3.46Å; Y129-S132 PolarHBondContact O-N 2.71Å; Y129-S132 VanDerWaalsContact O-N 3.11Å; Y129-V133 HydrophobicContact CD2-CG2 3.93Å; Y129-V133 HydrophobicContact CE1-CG2 4.39Å; Y129-V133 HydrophobicContact CE2-CG2 3.42Å; Y129-V133 VanDerWaalsContact CE2-CG2 3.42Å; Y129-V133 WeakPolarHBondContact O-CG2 3.27Å; Y129-V133 PolarHBondContact O-N 2.95Å; Y129-L161 HydrophobicContact CE1-CD2 3.99Å |
| 130 | F | 86.1 | Confident | 78.2 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.009 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.3 | -48.4 | 179.2 | 177.7 | -94.6 | 0 | 0 | 0 | 111.3 | W126 N127 S132 V133 M134 L161 L220 | W126-F130 HydrophobicContact CE3-CB 4.44Å; W126-F130 HydrophobicContact CH2-CB 4.25Å; W126-F130 AromaticContact CH2-CD2 3.92Å; W126-F130 HydrophobicContact CH2-CD2 3.92Å; W126-F130 HydrophobicContact CH2-CG 4.2Å; W126-F130 HydrophobicContact CZ2-CB 4.49Å; W126-F130 HydrophobicContact CZ2-CD2 4.22Å; W126-F130 HydrophobicContact CZ3-CB 4.23Å; W126-F130 HydrophobicContact CZ3-CG 4.43Å; W126-F130 WeakPolarHBondContact O-CB 3.18Å; W126-F130 PolarHBondContact O-N 3.1Å; N127-F130 PolarHBondContact O-N 2.95Å; F130-S132 VanDerWaalsContact C-N 3.29Å; F130-S132 PolarHBondContact O-N 3.01Å; F130-V133 PolarHBondContact O-N 3.17Å; F130-V133 VanDerWaalsContact O-N 3.17Å; F130-M134 HydrophobicContact CD1-CG 4.18Å; F130-M134 HydrophobicContact CD2-CE 4.31Å; F130-M134 HydrophobicContact CD2-CG 4.2Å; F130-M134 HydrophobicContact CE1-CB 4.43Å; F130-M134 HydrophobicContact CE1-CG 3.71Å; F130-M134 HydrophobicContact CE2-CE 3.68Å; F130-M134 HydrophobicContact CE2-CG 3.74Å; F130-M134 HydrophobicContact CE2-SD 4.39Å; F130-M134 HydrophobicContact CG-CG 4.4Å; F130-M134 HydrophobicContact CZ-CE 4.18Å; F130-M134 HydrophobicContact CZ-CG 3.45Å; F130-M134 VanDerWaalsContact CZ-CG 3.45Å; F130-M134 HydrophobicContact CZ-SD 4.32Å; F130-M134 WeakPolarHBondContact O-CB 3.38Å; F130-M134 WeakPolarHBondContact O-CG 3.45Å; F130-M134 PolarHBondContact O-N 3.49Å; F130-L161 HydrophobicContact CD2-CD1 3.65Å; F130-L161 HydrophobicContact CE2-CD1 3.82Å; F130-L220 HydrophobicContact CD1-CD2 4.37Å; F130-L220 HydrophobicContact CD2-CD2 3.95Å; F130-L220 HydrophobicContact CE1-CB 4.39Å; F130-L220 HydrophobicContact CE1-CD1 4Å; F130-L220 HydrophobicContact CE1-CD2 3.98Å; F130-L220 HydrophobicContact CE1-CG 4.37Å; F130-L220 HydrophobicContact CE2-CD1 4.02Å; F130-L220 HydrophobicContact CE2-CD2 3.51Å; F130-L220 HydrophobicContact CE2-CG 4.39Å; F130-L220 HydrophobicContact CG-CD2 4.36Å; F130-L220 HydrophobicContact CZ-CB 4.49Å; F130-L220 HydrophobicContact CZ-CD1 3.37Å; F130-L220 HydrophobicContact CZ-CD2 3.55Å; F130-L220 HydrophobicContact CZ-CG 3.99Å |
| 131 | Q | 82.1 | Confident | 75.8 | Confident | 77 Ų | 77 | 53.6 Ų | 53.6 | 36% | 0.36 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.3 | -41.5 | 176.3 | -70.9 | 178.3 | -10.5 | 0 | 0 | 111.7 | N127 Y129 M134 S135 M223 | N127-Q131 WeakPolarHBondContact O-CB 3.49Å; N127-Q131 VanDerWaalsContact O-CG 3.26Å; N127-Q131 WeakPolarHBondContact O-CG 3.4Å; N127-Q131 PolarHBondContact O-N 3.13Å; Y129-Q131 PolarHBondContact O-N 2.83Å; Q131-M134 PolarHBondContact O-N 3Å; Q131-S135 WeakPolarHBondContact O-CB 3.26Å; Q131-S135 PolarHBondContact O-N 2.96Å; Q131-S135 PolarHBondContact O-OG 2.97Å; Q131-M223 HydrophobicContact CB-CE 3.83Å; Q131-M223 HydrophobicContact CG-CE 3.86Å; Q131-M223 HydrophobicContact CG-CG 4.34Å; Q131-M223 HydrophobicContact CG-SD 4.43Å |
| 132 | S | 81.2 | Confident | 73.2 | Confident | 24 Ų | 24 | 57 Ų | 57 | 17% | 0.168 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.3 | -42 | 176.5 | -58.2 | 0 | 0 | 0 | 0 | 112.1 | S32 G128 Y129 F130 S135 I136 | S32-S132 PolarHBondContact OG-OG 2.92Å; G128-S132 WeakPolarHBondContact O-CB 3.5Å; G128-S132 PolarHBondContact O-N 3.17Å; G128-S132 PolarHBondContact O-OG 2.94Å; Y129-S132 WeakPolarHBondContact O-CB 3.46Å; Y129-S132 PolarHBondContact O-N 2.71Å; Y129-S132 VanDerWaalsContact O-N 3.11Å; F130-S132 VanDerWaalsContact C-N 3.29Å; F130-S132 PolarHBondContact O-N 3.01Å; S132-S135 PolarHBondContact O-OG 3.07Å; S132-I136 WeakPolarHBondContact O-CD1 3.43Å; S132-I136 WeakPolarHBondContact O-CG1 3.35Å; S132-I136 PolarHBondContact O-N 3.47Å |
| 133 | V | 79.6 | Confident | 70.6 | Confident | 12 Ų | 12 | 63.2 Ų | 63.2 | 7% | 0.073 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.1 | -42.6 | 179 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | I65 Y129 F130 T157 L161 | I65-V133 HydrophobicContact CD1-CG2 3.43Å; I65-V133 VanDerWaalsContact CD1-CG2 3.43Å; Y129-V133 HydrophobicContact CD2-CG2 3.93Å; Y129-V133 HydrophobicContact CE1-CG2 4.39Å; Y129-V133 HydrophobicContact CE2-CG2 3.42Å; Y129-V133 VanDerWaalsContact CE2-CG2 3.42Å; Y129-V133 WeakPolarHBondContact O-CG2 3.27Å; Y129-V133 PolarHBondContact O-N 2.95Å; F130-V133 PolarHBondContact O-N 3.17Å; F130-V133 VanDerWaalsContact O-N 3.17Å; V133-T157 HydrophobicContact CG1-CG2 3.84Å; V133-L161 HydrophobicContact CB-CD2 4.23Å; V133-L161 HydrophobicContact CG1-CD2 3.82Å; V133-L161 HydrophobicContact CG2-CD2 4.27Å |
| 134 | M | 74.4 | Confident | 68 | Low | 14 Ų | 14 | 68.4 Ų | 68.4 | 7% | 0.069 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -76.9 | -24.6 | -178.1 | -66.5 | -57.3 | 152.5 | 0 | 0 | 113.2 | F130 Q131 L137 P138 T157 I158 L161 M223 | F130-M134 HydrophobicContact CD1-CG 4.18Å; F130-M134 HydrophobicContact CD2-CE 4.31Å; F130-M134 HydrophobicContact CD2-CG 4.2Å; F130-M134 HydrophobicContact CE1-CB 4.43Å; F130-M134 HydrophobicContact CE1-CG 3.71Å; F130-M134 HydrophobicContact CE2-CE 3.68Å; F130-M134 HydrophobicContact CE2-CG 3.74Å; F130-M134 HydrophobicContact CE2-SD 4.39Å; F130-M134 HydrophobicContact CG-CG 4.4Å; F130-M134 HydrophobicContact CZ-CE 4.18Å; F130-M134 HydrophobicContact CZ-CG 3.45Å; F130-M134 VanDerWaalsContact CZ-CG 3.45Å; F130-M134 HydrophobicContact CZ-SD 4.32Å; F130-M134 WeakPolarHBondContact O-CB 3.38Å; F130-M134 WeakPolarHBondContact O-CG 3.45Å; F130-M134 PolarHBondContact O-N 3.49Å; Q131-M134 PolarHBondContact O-N 3Å; M134-L137 HydrophobicContact SD-CD2 4.08Å; M134-P138 WeakPolarHBondContact O-CD 3.47Å; M134-T157 HydrophobicContact CE-CG2 3.91Å; M134-I158 HydrophobicContact CE-CG1 3.79Å; M134-L161 HydrophobicContact CE-CD1 3.97Å; M134-L161 HydrophobicContact CE-CD2 4.46Å; M134-M223 HydrophobicContact CB-SD 4.19Å |
| 135 | S | 67.8 | Low | 65.6 | Low | 65 Ų | 65 | 68.9 Ų | 68.9 | 46% | 0.455 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -79.6 | -25.2 | 175.1 | 66.9 | 0 | 0 | 0 | 0 | 113.7 | Q131 S132 L137 P138 | Q131-S135 WeakPolarHBondContact O-CB 3.26Å; Q131-S135 PolarHBondContact O-N 2.96Å; Q131-S135 PolarHBondContact O-OG 2.97Å; S132-S135 PolarHBondContact O-OG 3.07Å; S135-L137 VanDerWaalsContact C-N 3.31Å; S135-P138 VanDerWaalsContact O-CD 3.24Å; S135-P138 WeakPolarHBondContact O-CD 3.42Å; S135-P138 WeakPolarHBondContact O-CG 3.42Å |
| 136 | I | 61.1 | Low | 63.2 | Low | 62 Ų | 62 | 70 Ų | 70 | 32% | 0.318 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -69.4 | -33.5 | 174.4 | -68.5 | 164.1 | 0 | 0 | 0 | 111 | V30 W55 S132 S139 | V30-I136 HydrophobicContact CG1-CD1 4.08Å; W55-I136 HydrophobicContact CH2-CD1 4.02Å; W55-I136 HydrophobicContact CZ3-CD1 4.45Å; S132-I136 WeakPolarHBondContact O-CD1 3.43Å; S132-I136 WeakPolarHBondContact O-CG1 3.35Å; S132-I136 PolarHBondContact O-N 3.47Å; I136-S139 PolarHBondContact O-N 3.19Å; I136-S139 PolarHBondContact O-OG 3.33Å |
| 137 | L | 57.3 | Low | 61.4 | Low | 46 Ų | 46 | 72.7 Ų | 72.7 | 24% | 0.241 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -42.9 | -179.8 | -110.7 | 51.4 | 0 | 0 | 0 | 115.1 | M134 S135 S139 N154 T157 | M134-L137 HydrophobicContact SD-CD2 4.08Å; S135-L137 VanDerWaalsContact C-N 3.31Å; L137-S139 VanDerWaalsContact C-N 3.35Å; L137-S139 PolarHBondContact O-N 3.45Å; L137-N154 HydrophobicContact CD2-CB 3.42Å; L137-N154 VanDerWaalsContact CD2-CB 3.42Å; L137-N154 WeakPolarHBondContact CD2-ND2 3.16Å; L137-N154 VanDerWaalsContact CD2-OD1 3.32Å; L137-N154 WeakPolarHBondContact CD2-OD1 3.26Å; L137-T157 HydrophobicContact CD2-CG2 4.18Å |
| 138 | P | 52.4 | Low | 59.7 | Low | 39 Ų | 39 | 74 Ų | 74 | 25% | 0.253 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | 5.1 | -179.4 | 27.6 | -35 | 0 | 0 | 0 | 115.9 | M134 S135 K140 L141 | M134-P138 WeakPolarHBondContact O-CD 3.47Å; S135-P138 VanDerWaalsContact O-CD 3.24Å; S135-P138 WeakPolarHBondContact O-CD 3.42Å; S135-P138 WeakPolarHBondContact O-CG 3.42Å; P138-K140 PolarHBondContact O-N 3.49Å; P138-L141 PolarHBondContact O-N 2.8Å; P138-L141 VanDerWaalsContact O-N 3.11Å |
| 139 | S | 44 | Very low | 58 | Low | 101 Ų | 101 | 78 Ų | 78 | 71% | 0.706 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | 3.4 | 176.8 | 60.2 | 0 | 0 | 0 | 0 | 115.3 | I136 L137 | I136-S139 PolarHBondContact O-N 3.19Å; I136-S139 PolarHBondContact O-OG 3.33Å; L137-S139 VanDerWaalsContact C-N 3.35Å; L137-S139 PolarHBondContact O-N 3.45Å |
| 140 | K | 45 | Very low | 56.8 | Low | 193 Ų | 193 | 79.6 Ų | 79.6 | 84% | 0.839 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | -3.5 | 174.2 | -72.3 | -171.8 | 176.5 | -175 | 0 | 115.2 | P138 | P138-K140 PolarHBondContact O-N 3.49Š|
| 141 | L | 41.9 | Very low | 55.9 | Low | 119 Ų | 119 | 80.2 Ų | 80.2 | 62% | 0.623 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -127.3 | 120.4 | -179.7 | -73.2 | 168.1 | 0 | 0 | 0 | 109.1 | P138 | P138-L141 PolarHBondContact O-N 2.8Å; P138-L141 VanDerWaalsContact O-N 3.11Å |
| 142 | N | 36.8 | Very low | 55.3 | Low | 161 Ų | 161 | 80.3 Ų | 80.3 | 86% | 0.861 | 43% | 0.428 | S | S | * | . | trans | -42.3 | 147.4 | -174.6 | -70.6 | -27.3 | 0 | 0 | 0 | 114.1 | ||||
| 143 | H | 37.9 | Very low | 54.7 | Low | 178 Ų | 178 | 86.2 Ų | 86.2 | 82% | 0.824 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -31.8 | 138.3 | 165.7 | -85.4 | -44.1 | 0 | 0 | 0 | 113.1 | ||
| 144 | N | 38.8 | Very low | 54.5 | Low | 136 Ų | 136 | 87.4 Ų | 87.4 | 73% | 0.727 | 46% | 0.457 | S | S | * | . | S | Bend | trans | 95.2 | 118.1 | 165.2 | -46.1 | -28.6 | 0 | 0 | 0 | 113.9 | ||
| 145 | H | 41.4 | Very low | 54.7 | Low | 160 Ų | 160 | 90.3 Ų | 90.3 | 74% | 0.741 | 47% | 0.472 | S | S | * | . | S | Bend | trans | 65.1 | 95.8 | 175.3 | -67.5 | -74.8 | 0 | 0 | 0 | 117 | ||
| 146 | C | 41.4 | Very low | 55.2 | Low | 49 Ų | 49 | 91.5 Ų | 91.5 | 33% | 0.331 | 47% | 0.474 | S | S | . | . | 159.8 | 90.8 | 119.1 | -83.9 | 0 | 0 | 0 | 0 | 112.2 | N148 L149 N150 | C146-N148 VanDerWaalsContact C-N 3.33Å; C146-L149 HydrophobicContact CB-CB 3.61Å; C146-L149 HydrophobicContact CB-CD1 4Å; C146-L149 HydrophobicContact CB-CG 3.84Å; C146-L149 WeakPolarHBondContact SG-CD1 3.14Å; C146-L149 WeakPolarHBondContact SG-CG 3.25Å; C146-N150 WeakPolarHBondContact O-CB 3.4Å; C146-N150 PolarHBondContact O-N 3.38Å; C146-N150 PolarHBondContact O-ND2 2.56Å | |||
| 147 | T | 54.6 | Low | 56.2 | Low | 56 Ų | 56 | 90 Ų | 90 | 34% | 0.344 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.3 | -37.7 | 168.5 | 47.7 | 0 | 0 | 0 | 0 | 111.2 | I151 M223 | T147-I151 WeakPolarHBondContact O-CG1 3.33Å; T147-M223 HydrophobicContact CG2-CB 4.43Å |
| 148 | N | 53.4 | Low | 57.5 | Low | 47 Ų | 47 | 88 Ų | 88 | 25% | 0.251 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -79.7 | -44.4 | -178 | -63.9 | -19.6 | 0 | 0 | 0 | 113.6 | C146 N150 I151 I152 I237 I284 | C146-N148 VanDerWaalsContact C-N 3.33Å; N148-N150 PolarHBondContact O-N 3.33Å; N148-I151 WeakPolarHBondContact O-CB 3.09Å; N148-I151 PolarHBondContact O-N 2.81Å; N148-I152 PolarHBondContact O-N 2.9Å; N148-I237 VanDerWaalsContact OD1-CD1 3.23Å; N148-I237 WeakPolarHBondContact OD1-CD1 3.25Å; N148-I284 VanDerWaalsContact ND2-CD1 3.31Å; N148-I284 WeakPolarHBondContact ND2-CD1 3.12Å |
| 149 | L | 51.2 | Low | 59 | Low | 87 Ų | 87 | 88 Ų | 88 | 46% | 0.455 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.9 | -29.7 | 178.7 | -59.5 | -177.9 | 0 | 0 | 0 | 112 | C146 I151 K153 | C146-L149 HydrophobicContact CB-CB 3.61Å; C146-L149 HydrophobicContact CB-CD1 4Å; C146-L149 HydrophobicContact CB-CG 3.84Å; C146-L149 WeakPolarHBondContact SG-CD1 3.14Å; C146-L149 WeakPolarHBondContact SG-CG 3.25Å; L149-I151 VanDerWaalsContact C-N 3.31Å; L149-K153 WeakPolarHBondContact O-CB 3.31Å; L149-K153 VanDerWaalsContact O-CG 3.28Å; L149-K153 WeakPolarHBondContact O-CG 3.41Å; L149-K153 PolarHBondContact O-N 3.48Å |
| 150 | N | 64.2 | Low | 61 | Low | 43 Ų | 43 | 86.2 Ų | 86.2 | 23% | 0.23 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -67.2 | -33.6 | 174.8 | -76.5 | -19.7 | 0 | 0 | 0 | 112 | C146 N148 N154 | C146-N150 WeakPolarHBondContact O-CB 3.4Å; C146-N150 PolarHBondContact O-N 3.38Å; C146-N150 PolarHBondContact O-ND2 2.56Å; N148-N150 PolarHBondContact O-N 3.33Å; N150-N154 VanDerWaalsContact O-CB 3.26Å; N150-N154 WeakPolarHBondContact O-CB 3.46Å; N150-N154 PolarHBondContact O-N 3.42Å; N150-N154 PolarHBondContact O-ND2 2.87Å |
| 151 | I | 67.5 | Low | 63 | Low | 16 Ų | 16 | 77.2 Ų | 77.2 | 8% | 0.082 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -70.2 | -47.1 | 177.5 | -68.1 | 169.3 | 0 | 0 | 0 | 110.4 | T147 N148 L149 K153 N154 L155 I158 L220 I237 I239 | T147-I151 WeakPolarHBondContact O-CG1 3.33Å; N148-I151 WeakPolarHBondContact O-CB 3.09Å; N148-I151 PolarHBondContact O-N 2.81Å; L149-I151 VanDerWaalsContact C-N 3.31Å; I151-K153 VanDerWaalsContact C-N 3.31Å; I151-K153 PolarHBondContact O-N 2.87Å; I151-N154 CarbonylContact O-C 3.32Å; I151-N154 VanDerWaalsContact O-C 3.32Å; I151-N154 PolarHBondContact O-N 3.11Å; I151-L155 PolarHBondContact O-N 3.34Å; I151-L155 VanDerWaalsContact O-N 3.17Å; I151-I158 HydrophobicContact CG2-CD1 3.62Å; I151-L220 HydrophobicContact CD1-CD1 4.18Å; I151-I237 HydrophobicContact CD1-CD1 3.59Å; I151-I237 HydrophobicContact CD1-CG2 4.03Å; I151-I239 HydrophobicContact CG2-CD1 3.59Å |
| 152 | I | 68.9 | Low | 65.3 | Low | 79 Ų | 79 | 71.7 Ų | 71.7 | 41% | 0.405 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 179.7 | -61.7 | 171.6 | 0 | 0 | 0 | 110.8 | N148 N154 L155 F279 | N148-I152 PolarHBondContact O-N 2.9Å; I152-N154 PolarHBondContact O-N 3.35Å; I152-L155 WeakPolarHBondContact O-CG 3.14Å; I152-F279 HydrophobicContact CD1-CE1 4.35Å; I152-F279 HydrophobicContact CD1-CZ 4.16Å; I152-F279 HydrophobicContact CG1-CE1 4.47Å; I152-F279 HydrophobicContact CG1-CZ 4.26Å; I152-F279 HydrophobicContact CG2-CZ 4.41Å |
| 153 | K | 69.4 | Low | 68 | Low | 147 Ų | 147 | 64.1 Ų | 64.1 | 64% | 0.639 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -68.4 | -15.5 | 176.6 | -71.5 | 177.2 | -179.3 | -179.2 | 0 | 113.5 | L149 I151 | L149-K153 WeakPolarHBondContact O-CB 3.31Å; L149-K153 VanDerWaalsContact O-CG 3.28Å; L149-K153 WeakPolarHBondContact O-CG 3.41Å; L149-K153 PolarHBondContact O-N 3.48Å; I151-K153 VanDerWaalsContact C-N 3.31Å; I151-K153 PolarHBondContact O-N 2.87Å |
| 154 | N | 74.1 | Confident | 70.6 | Confident | 38 Ų | 38 | 57 Ų | 57 | 20% | 0.203 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | 28.2 | -173.7 | -67.9 | -66 | 0 | 0 | 0 | 113.5 | L137 N150 I151 I152 D156 T157 I158 | L137-N154 HydrophobicContact CD2-CB 3.42Å; L137-N154 VanDerWaalsContact CD2-CB 3.42Å; L137-N154 WeakPolarHBondContact CD2-ND2 3.16Å; L137-N154 VanDerWaalsContact CD2-OD1 3.32Å; L137-N154 WeakPolarHBondContact CD2-OD1 3.26Å; N150-N154 VanDerWaalsContact O-CB 3.26Å; N150-N154 WeakPolarHBondContact O-CB 3.46Å; N150-N154 PolarHBondContact O-N 3.42Å; N150-N154 PolarHBondContact O-ND2 2.87Å; I151-N154 CarbonylContact O-C 3.32Å; I151-N154 VanDerWaalsContact O-C 3.32Å; I151-N154 PolarHBondContact O-N 3.11Å; I152-N154 PolarHBondContact O-N 3.35Å; N154-D156 PolarHBondContact O-N 3Å; N154-T157 WeakPolarHBondContact O-CA 2.83Å; N154-T157 VanDerWaalsContact O-CB 3.25Å; N154-T157 WeakPolarHBondContact O-CB 3.42Å; N154-T157 PolarHBondContact O-N 3.49Å; N154-I158 PolarHBondContact O-N 3.3Å |
| 155 | L | 79.3 | Confident | 73.2 | Confident | 75 Ų | 75 | 50.5 Ų | 50.5 | 39% | 0.393 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -55.5 | -34.9 | 174.7 | -68.5 | 176.9 | 0 | 0 | 0 | 112.5 | I151 I152 T157 I158 L159 | I151-L155 PolarHBondContact O-N 3.34Å; I151-L155 VanDerWaalsContact O-N 3.17Å; I152-L155 WeakPolarHBondContact O-CG 3.14Å; L155-T157 PolarHBondContact O-N 2.86Å; L155-I158 HydrophobicContact CD2-CD1 3.93Å; L155-I158 WeakPolarHBondContact O-CA 3.4Å; L155-I158 WeakPolarHBondContact O-CB 3.24Å; L155-I158 PolarHBondContact O-N 2.97Å; L155-L159 PolarHBondContact O-N 2.88Å |
| 156 | D | 78.5 | Confident | 75.7 | Confident | 90 Ų | 90 | 42.9 Ų | 42.9 | 48% | 0.481 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -56.9 | -38 | 172.7 | -90.9 | 14.7 | 0 | 0 | 0 | 112.9 | N154 I158 R160 | N154-D156 PolarHBondContact O-N 3Å; D156-I158 VanDerWaalsContact C-N 3.34Å; D156-R160 VanDerWaalsContact O-CG 3.28Å; D156-R160 WeakPolarHBondContact O-CG 3.44Å; D156-R160 PolarHBondContact O-N 2.95Å; D156-R160 IonicContact OD2-NH2 3.34Å |
| 157 | T | 82.1 | Confident | 78.2 | Confident | 31 Ų | 31 | 43 Ų | 43 | 19% | 0.19 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.4 | -40.1 | 176.2 | -58.7 | 0 | 0 | 0 | 0 | 109.8 | V133 M134 L137 N154 L155 L159 R160 L161 | V133-T157 HydrophobicContact CG1-CG2 3.84Å; M134-T157 HydrophobicContact CE-CG2 3.91Å; L137-T157 HydrophobicContact CD2-CG2 4.18Å; N154-T157 WeakPolarHBondContact O-CA 2.83Å; N154-T157 VanDerWaalsContact O-CB 3.25Å; N154-T157 WeakPolarHBondContact O-CB 3.42Å; N154-T157 PolarHBondContact O-N 3.49Å; L155-T157 PolarHBondContact O-N 2.86Å; T157-L159 PolarHBondContact O-N 3.17Å; T157-R160 CarbonylContact O-C 3.56Å; T157-R160 WeakPolarHBondContact O-CA 3.39Å; T157-R160 WeakPolarHBondContact O-CB 3.4Å; T157-R160 PolarHBondContact O-N 3.34Å; T157-L161 WeakPolarHBondContact O-CG 3.47Å; T157-L161 PolarHBondContact O-N 2.93Å; T157-L161 VanDerWaalsContact O-N 3.09Å |
| 158 | I | 83.9 | Confident | 80.1 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.015 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.9 | -43.3 | 179 | -61.4 | 169.4 | 0 | 0 | 0 | 111.2 | M134 I151 N154 L155 D156 R160 L161 L218 I239 L241 | M134-I158 HydrophobicContact CE-CG1 3.79Å; I151-I158 HydrophobicContact CG2-CD1 3.62Å; N154-I158 PolarHBondContact O-N 3.3Å; L155-I158 HydrophobicContact CD2-CD1 3.93Å; L155-I158 WeakPolarHBondContact O-CA 3.4Å; L155-I158 WeakPolarHBondContact O-CB 3.24Å; L155-I158 PolarHBondContact O-N 2.97Å; D156-I158 VanDerWaalsContact C-N 3.34Å; I158-R160 PolarHBondContact O-N 3.46Å; I158-L161 HydrophobicContact CB-CD1 4.47Å; I158-L161 HydrophobicContact CG1-CD1 4.44Å; I158-L161 HydrophobicContact CG2-CD1 4.45Å; I158-L161 WeakPolarHBondContact O-CB 3.5Å; I158-L161 PolarHBondContact O-N 3.09Å; I158-L161 VanDerWaalsContact O-N 3.09Å; I158-L218 HydrophobicContact CG2-CD2 4.09Å; I158-I239 HydrophobicContact CD1-CD1 3.32Å; I158-I239 HydrophobicContact CG1-CD1 4.47Å; I158-I239 HydrophobicContact CG2-CD1 4.38Å; I158-L241 HydrophobicContact CG2-CD2 4.34Å |
| 159 | L | 84.4 | Confident | 82 | Confident | 38 Ų | 38 | 41.7 Ų | 41.7 | 20% | 0.199 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.7 | -27.5 | 174.2 | -68.3 | 176.9 | 0 | 0 | 0 | 112.7 | L155 T157 L241 L246 R253 W258 | L155-L159 PolarHBondContact O-N 2.88Å; T157-L159 PolarHBondContact O-N 3.17Å; L159-L241 HydrophobicContact CD2-CD2 4.4Å; L159-L246 HydrophobicContact CD2-CD2 4.33Å; L159-R253 WeakPolarHBondContact O-CD 3.44Å; L159-R253 PolarHBondContact O-NE 2.76Å; L159-W258 HydrophobicContact CB-CH2 4Å; L159-W258 HydrophobicContact CB-CZ2 3.71Å; L159-W258 HydrophobicContact CD1-CD2 4.27Å; L159-W258 HydrophobicContact CD1-CE3 4.1Å; L159-W258 HydrophobicContact CD1-CZ3 4.24Å |
| 160 | R | 85.8 | Confident | 84 | Confident | 65 Ų | 65 | 37.5 Ų | 37.5 | 25% | 0.245 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -88.7 | -9.9 | 178.6 | -66.3 | 177.7 | -160.5 | -163.6 | 16.1 | 113.6 | S62 D156 T157 I158 A254 | S62-R160 PolarHBondContact OG-NH1 2.94Å; D156-R160 VanDerWaalsContact O-CG 3.28Å; D156-R160 WeakPolarHBondContact O-CG 3.44Å; D156-R160 PolarHBondContact O-N 2.95Å; D156-R160 IonicContact OD2-NH2 3.34Å; T157-R160 CarbonylContact O-C 3.56Å; T157-R160 WeakPolarHBondContact O-CA 3.39Å; T157-R160 WeakPolarHBondContact O-CB 3.4Å; T157-R160 PolarHBondContact O-N 3.34Å; I158-R160 PolarHBondContact O-N 3.46Å; R160-A254 HydrophobicContact CB-CB 4.36Å |
| 161 | L | 87.1 | Confident | 85.3 | Confident | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -63.8 | 149.4 | 179.8 | -67.8 | 176.2 | 0 | 0 | 0 | 111.6 | Y129 F130 V133 M134 T157 I158 L163 R253 | Y129-L161 HydrophobicContact CE1-CD2 3.99Å; F130-L161 HydrophobicContact CD2-CD1 3.65Å; F130-L161 HydrophobicContact CE2-CD1 3.82Å; V133-L161 HydrophobicContact CB-CD2 4.23Å; V133-L161 HydrophobicContact CG1-CD2 3.82Å; V133-L161 HydrophobicContact CG2-CD2 4.27Å; M134-L161 HydrophobicContact CE-CD1 3.97Å; M134-L161 HydrophobicContact CE-CD2 4.46Å; T157-L161 WeakPolarHBondContact O-CG 3.47Å; T157-L161 PolarHBondContact O-N 2.93Å; T157-L161 VanDerWaalsContact O-N 3.09Å; I158-L161 HydrophobicContact CB-CD1 4.47Å; I158-L161 HydrophobicContact CG1-CD1 4.44Å; I158-L161 HydrophobicContact CG2-CD1 4.45Å; I158-L161 WeakPolarHBondContact O-CB 3.5Å; I158-L161 PolarHBondContact O-N 3.09Å; I158-L161 VanDerWaalsContact O-N 3.09Å; L161-L163 HydrophobicContact CB-CD2 4.44Å; L161-L163 PolarHBondContact O-N 3.46Å; L161-R253 PolarHBondContact O-NH2 3.46Å |
| 162 | N | 90.7 | Very high | 86.3 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | trans | -73.8 | 120.7 | 160.8 | -171.8 | -1.2 | 0 | 0 | 0 | 108.4 | W126 I164 A250 | W126-N162 PolarHBondContact NE1-O 3.04Å; N162-I164 WeakPolarHBondContact OD1-CB 3.13Å; N162-I164 WeakPolarHBondContact OD1-CD1 3.47Å; N162-I164 VanDerWaalsContact OD1-CG1 3.27Å; N162-I164 WeakPolarHBondContact OD1-CG1 3.49Å; N162-I164 PolarHBondContact OD1-N 2.72Å; N162-I164 VanDerWaalsContact OD1-N 3.1Å; N162-A250 HydrophobicContact CB-CB 4.27Å | ||
| 163 | L | 92.5 | Very high | 87.3 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | trans | -92.4 | 0.8 | -177.8 | -62.4 | 176.2 | 0 | 0 | 0 | 112.6 | W126 L161 G165 A166 V184 F192 L218 L241 L246 | W126-L163 HydrophobicContact CZ2-CD2 4.4Å; L161-L163 HydrophobicContact CB-CD2 4.44Å; L161-L163 PolarHBondContact O-N 3.46Å; L163-G165 PolarHBondContact O-N 3.26Å; L163-A166 HydrophobicContact CB-CB 4.28Å; L163-A166 HydrophobicContact CD2-CB 4.33Å; L163-A166 WeakPolarHBondContact O-CB 3.13Å; L163-A166 PolarHBondContact O-N 2.86Å; L163-V184 VanDerWaalsContact O-CB 3.25Å; L163-V184 WeakPolarHBondContact O-CB 3.25Å; L163-F192 HydrophobicContact CB-CE1 4.48Å; L163-F192 HydrophobicContact CD1-CE1 4.4Å; L163-F192 HydrophobicContact CD1-CZ 3.96Å; L163-L218 HydrophobicContact CD2-CD2 4.34Å; L163-L241 HydrophobicContact CD1-CD1 4.26Å; L163-L246 HydrophobicContact CD1-CD1 4.16Å; L163-L246 HydrophobicContact CD1-CD2 4.48Å | ||
| 164 | I | 93.4 | Very high | 88.1 | Confident | 28 Ų | 28 | 41.9 Ų | 41.9 | 14% | 0.144 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 116.6 | 174.1 | -61.3 | 168.1 | 0 | 0 | 0 | 109.3 | L68 L122 N162 V184 I185 E187 | L68-I164 HydrophobicContact CD2-CD1 4.07Å; L122-I164 HydrophobicContact CD2-CG2 4.27Å; N162-I164 WeakPolarHBondContact OD1-CB 3.13Å; N162-I164 WeakPolarHBondContact OD1-CD1 3.47Å; N162-I164 VanDerWaalsContact OD1-CG1 3.27Å; N162-I164 WeakPolarHBondContact OD1-CG1 3.49Å; N162-I164 PolarHBondContact OD1-N 2.72Å; N162-I164 VanDerWaalsContact OD1-N 3.1Å; I164-V184 CarbonylContact C-O 3.48Å; I164-I185 WeakPolarHBondContact CG2-O 3.34Å; I164-E187 HydrophobicContact CD1-CB 4.29Å; I164-E187 HydrophobicContact CG1-CB 3.93Å |
| 165 | G | 93.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.9 | -10.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | H123 L163 V184 | H123-G165 WeakPolarHBondContact CA-O 3.27Å; H123-G165 PolarHBondContact ND1-O 2.88Å; H123-G165 VanDerWaalsContact ND1-O 3.1Å; L163-G165 PolarHBondContact O-N 3.26Å; G165-V184 PolarHBondContact N-O 2.65Å |
| 166 | A | 93.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -70.1 | 145.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | W126 L163 I183 V184 L218 | W126-A166 HydrophobicContact CD2-CB 3.9Å; W126-A166 HydrophobicContact CE3-CB 4.22Å; W126-A166 HydrophobicContact CH2-CB 3.98Å; W126-A166 HydrophobicContact CZ2-CB 3.61Å; W126-A166 HydrophobicContact CZ3-CB 4.26Å; L163-A166 HydrophobicContact CB-CB 4.28Å; L163-A166 HydrophobicContact CD2-CB 4.33Å; L163-A166 WeakPolarHBondContact O-CB 3.13Å; L163-A166 PolarHBondContact O-N 2.86Å; A166-I183 WeakPolarHBondContact O-CA 3.39Å; A166-V184 PolarHBondContact O-N 3Å; A166-L218 HydrophobicContact CB-CD1 3.74Å | ||
| 167 | Q | 94.1 | Very high | 89.1 | Confident | 53 Ų | 53 | 47.3 Ų | 47.3 | 25% | 0.248 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 118.6 | 170.9 | -176.8 | 168 | 4.3 | 0 | 0 | 108.8 | E181 T219 | Q167-E181 HydrophobicContact CG-CG 4.41Å; Q167-E181 PolarHBondContact NE2-OE1 3.19Å; Q167-T219 PolarHBondContact O-N 2.69Å |
| 168 | L | 94.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 137.1 | 178.8 | -65.5 | -176 | 0 | 0 | 0 | 110 | E181 G182 V184 F192 L194 F216 L217 L218 L241 | L168-E181 WeakPolarHBondContact O-CA 3.36Å; L168-G182 PolarHBondContact N-O 2.94Å; L168-G182 PolarHBondContact O-N 2.9Å; L168-V184 HydrophobicContact CB-CG2 4.39Å; L168-V184 HydrophobicContact CD1-CG2 3.39Å; L168-V184 HydrophobicContact CG-CG2 3.73Å; L168-F192 HydrophobicContact CD1-CD2 4.31Å; L168-F192 HydrophobicContact CD1-CE2 4.29Å; L168-L194 HydrophobicContact CB-CD2 4.43Å; L168-F216 HydrophobicContact CD1-CB 4.47Å; L168-F216 HydrophobicContact CD1-CD1 4.4Å; L168-F216 HydrophobicContact CD1-CG 4.46Å; L168-F216 HydrophobicContact CD2-CB 4.4Å; L168-L217 WeakPolarHBondContact CA-O 3.46Å; L168-L218 HydrophobicContact CD2-CB 3.84Å; L168-L218 HydrophobicContact CD2-CD1 3.74Å; L168-L218 HydrophobicContact CD2-CG 4.4Å; L168-L241 HydrophobicContact CD2-CD1 4.46Å |
| 169 | K | 94.1 | Very high | 89.7 | Confident | 74 Ų | 74 | 51 Ų | 51 | 32% | 0.322 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 130.2 | 168.2 | 176.6 | 178.7 | -178.9 | 177.9 | 0 | 109.7 | L171 I180 E181 F216 L217 | K169-L171 HydrophobicContact CD-CD2 4.41Å; K169-L171 HydrophobicContact CG-CD2 4.43Å; K169-L171 PolarHBondContact O-N 3.18Å; K169-I180 CarbonylContact C-O 3.52Å; K169-I180 WeakPolarHBondContact CA-O 3.32Å; K169-E181 HydrophobicContact CB-CB 4.25Å; K169-E181 HydrophobicContact CB-CG 4.18Å; K169-E181 HydrophobicContact CG-CB 4.36Å; K169-F216 CarbonylContact O-C 3.53Å; K169-F216 WeakPolarHBondContact O-CA 3.41Å; K169-L217 HydrophobicContact CB-CB 4.2Å; K169-L217 HydrophobicContact CD-CD2 4.33Å; K169-L217 PolarHBondContact N-O 2.92Å; K169-L217 PolarHBondContact O-N 2.89Å |
| 170 | I | 92.8 | Very high | 90 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 113.7 | 178.1 | -51.3 | 170.9 | 0 | 0 | 0 | 107.7 | G179 I180 L194 I209 F216 | I170-G179 PolarHBondContact O-N 2.8Å; I170-I180 HydrophobicContact CD1-CB 3.78Å; I170-I180 HydrophobicContact CD1-CD1 4.39Å; I170-I180 HydrophobicContact CD1-CG2 4.15Å; I170-I180 HydrophobicContact CG1-CB 4.37Å; I170-I180 PolarHBondContact N-O 3.35Å; I170-L194 HydrophobicContact CD1-CD1 4.44Å; I170-L194 HydrophobicContact CG1-CD1 4.43Å; I170-I209 HydrophobicContact CD1-CB 4.4Å; I170-I209 HydrophobicContact CD1-CD1 3.36Å; I170-I209 HydrophobicContact CD1-CG1 3.66Å; I170-I209 HydrophobicContact CD1-CG2 3.98Å; I170-I209 HydrophobicContact CG1-CD1 4.34Å; I170-F216 HydrophobicContact CG1-CD1 4.17Å; I170-F216 HydrophobicContact CG1-CE1 4.12Å |
| 171 | L | 91.2 | Very high | 90.4 | Very high | 73 Ų | 73 | 51.9 Ų | 51.9 | 38% | 0.382 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | -38 | 175.5 | -66 | -175.7 | 0 | 0 | 0 | 111.9 | K169 A178 L215 L217 L240 | K169-L171 HydrophobicContact CD-CD2 4.41Å; K169-L171 HydrophobicContact CG-CD2 4.43Å; K169-L171 PolarHBondContact O-N 3.18Å; L171-A178 VanDerWaalsContact O-CB 3.3Å; L171-A178 WeakPolarHBondContact O-CB 3.13Å; L171-L215 HydrophobicContact CB-CB 4.48Å; L171-L215 PolarHBondContact N-O 2.81Å; L171-L217 HydrophobicContact CD1-CB 4.02Å; L171-L217 HydrophobicContact CD1-CD1 4.22Å; L171-L217 HydrophobicContact CD2-CB 4.32Å; L171-L217 HydrophobicContact CD2-CD2 4.3Å; L171-L217 HydrophobicContact CG-CB 3.95Å; L171-L240 HydrophobicContact CD1-CD1 3.63Å |
| 172 | R | 89.8 | Confident | 90.7 | Very high | 169 Ų | 169 | 52.1 Ų | 52.1 | 64% | 0.638 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 143.4 | 179 | -174.3 | 178.1 | 172.8 | 123.7 | -1.5 | 108.9 | S214 L215 | R172-S214 CarbonylContact O-C 3.49Å; R172-S214 VanDerWaalsContact O-CA 3.26Å; R172-S214 WeakPolarHBondContact O-CA 3.4Å; R172-L215 HydrophobicContact CB-CB 4.1Å; R172-L215 HydrophobicContact CB-CD1 4.13Å; R172-L215 HydrophobicContact CB-CG 4.27Å; R172-L215 PolarHBondContact N-O 2.81Å; R172-L215 PolarHBondContact O-N 3.07Å |
| 173 | S | 88.1 | Confident | 90.8 | Very high | 22 Ų | 22 | 52.7 Ų | 52.7 | 15% | 0.154 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 147 | 165.8 | -175.3 | 0 | 0 | 0 | 0 | 109.5 | S175 C176 G213 S214 | S173-S175 PolarHBondContact OG-N 3.15Å; S173-S175 PolarHBondContact OG-OG 3.17Å; S173-C176 WeakPolarHBondContact CB-SG 3.25Å; S173-C176 PolarHBondContact OG-N 2.77Å; S173-C176 PolarHBondContact OG-SG 2.8Å; S173-C176 VanDerWaalsContact OG-SG 3.34Å; S173-G213 WeakPolarHBondContact CA-O 3.38Å; S173-S214 WeakPolarHBondContact CB-OG 3.36Å; S173-S214 PolarHBondContact OG-OG 2.84Å |
| 174 | T | 87.2 | Confident | 91 | Very high | 112 Ų | 112 | 52.6 Ų | 52.6 | 69% | 0.687 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -77.1 | -11.2 | 171.2 | 53.6 | 0 | 0 | 0 | 0 | 113.2 | G213 | T174-G213 PolarHBondContact N-O 3.04Š|
| 175 | S | 84.1 | Confident | 91 | Very high | 73 Ų | 73 | 53.2 Ų | 53.2 | 51% | 0.51 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -133.8 | -15.4 | -165.4 | 62.9 | 0 | 0 | 0 | 0 | 115 | S173 P210 | S173-S175 PolarHBondContact OG-N 3.15Å; S173-S175 PolarHBondContact OG-OG 3.17Å; S175-P210 WeakPolarHBondContact OG-CD 3.23Å; S175-P210 WeakPolarHBondContact OG-CG 3.45Å |
| 176 | C | 83.8 | Confident | 90.9 | Very high | 33 Ų | 33 | 57.4 Ų | 57.4 | 22% | 0.223 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -134.6 | 164.8 | 177.1 | 69.7 | 0 | 0 | 0 | 0 | 111.1 | S173 A178 | S173-C176 WeakPolarHBondContact CB-SG 3.25Å; S173-C176 PolarHBondContact OG-N 2.77Å; S173-C176 PolarHBondContact OG-SG 2.8Å; S173-C176 VanDerWaalsContact OG-SG 3.34Å; C176-A178 PolarHBondContact O-N 2.79Å |
| 177 | R | 84.6 | Confident | 90.8 | Very high | 212 Ų | 212 | 58.4 Ų | 58.4 | 80% | 0.8 | 31% | 0.308 | S | S | * | . | trans | -64.8 | 133.6 | 177.7 | -64.2 | -178.8 | 179.3 | 172.9 | -1.2 | 110.2 | I180 | R177-I180 HydrophobicContact CB-CD1 4.14Å; R177-I180 HydrophobicContact CB-CG1 4.49Å; R177-I180 WeakPolarHBondContact O-CD1 3.48Å | ||
| 178 | A | 89.3 | Confident | 90.6 | Very high | 62 Ų | 62 | 58 Ų | 58 | 51% | 0.512 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | 160.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L171 C176 I180 | L171-A178 VanDerWaalsContact O-CB 3.3Å; L171-A178 WeakPolarHBondContact O-CB 3.13Å; C176-A178 PolarHBondContact O-N 2.79Å; A178-I180 VanDerWaalsContact C-N 3.32Å; A178-I180 PolarHBondContact O-N 2.92Å |
| 179 | G | 89.9 | Confident | 90.4 | Very high | 50 Ų | 50 | 63.1 Ų | 63.1 | 52% | 0.515 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | -5.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115 | I170 E181 | I170-G179 PolarHBondContact O-N 2.8Å; G179-E181 PolarHBondContact O-N 2.82Å |
| 180 | I | 90.8 | Very high | 90.2 | Very high | 41 Ų | 41 | 63.6 Ų | 63.6 | 21% | 0.21 | 34% | 0.338 | C | S | . | . | trans | -69.7 | 128.4 | 175.5 | -63.7 | 173.5 | 0 | 0 | 0 | 109.5 | K169 I170 R177 A178 I196 | K169-I180 CarbonylContact C-O 3.52Å; K169-I180 WeakPolarHBondContact CA-O 3.32Å; I170-I180 HydrophobicContact CD1-CB 3.78Å; I170-I180 HydrophobicContact CD1-CD1 4.39Å; I170-I180 HydrophobicContact CD1-CG2 4.15Å; I170-I180 HydrophobicContact CG1-CB 4.37Å; I170-I180 PolarHBondContact N-O 3.35Å; R177-I180 HydrophobicContact CB-CD1 4.14Å; R177-I180 HydrophobicContact CB-CG1 4.49Å; R177-I180 WeakPolarHBondContact O-CD1 3.48Å; A178-I180 VanDerWaalsContact C-N 3.32Å; A178-I180 PolarHBondContact O-N 2.92Å; I180-I196 HydrophobicContact CG2-CD1 3.35Å; I180-I196 HydrophobicContact CG2-CG1 3.79Å | ||
| 181 | E | 93 | Very high | 90.2 | Very high | 80 Ų | 80 | 65.2 Ų | 65.2 | 37% | 0.374 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 137.4 | 176.3 | -175.4 | 174.1 | 178.5 | 0 | 0 | 110.3 | Q167 L168 K169 G179 | Q167-E181 HydrophobicContact CG-CG 4.41Å; Q167-E181 PolarHBondContact NE2-OE1 3.19Å; L168-E181 WeakPolarHBondContact O-CA 3.36Å; K169-E181 HydrophobicContact CB-CB 4.25Å; K169-E181 HydrophobicContact CB-CG 4.18Å; K169-E181 HydrophobicContact CG-CB 4.36Å; G179-E181 PolarHBondContact O-N 2.82Å |
| 182 | G | 93.3 | Very high | 90.3 | Very high | 7 Ų | 7 | 61.8 Ų | 61.8 | 7% | 0.072 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.1 | 171.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L168 A195 | L168-G182 PolarHBondContact N-O 2.94Å; L168-G182 PolarHBondContact O-N 2.9Å; G182-A195 CarbonylContact C-O 3.59Å; G182-A195 WeakPolarHBondContact CA-O 3.28Å |
| 183 | I | 94.8 | Very high | 90.4 | Very high | 15 Ų | 15 | 53.9 Ų | 53.9 | 8% | 0.077 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 129.6 | 179.2 | -62.9 | 162.6 | 0 | 0 | 0 | 108.9 | H123 A166 I185 L194 A195 | H123-I183 HydrophobicContact CB-CD1 3.84Å; H123-I183 HydrophobicContact CB-CG1 4.26Å; H123-I183 HydrophobicContact CB-CG2 4.34Å; A166-I183 WeakPolarHBondContact O-CA 3.39Å; I183-I185 PolarHBondContact O-N 2.89Å; I183-L194 CarbonylContact O-C 3.11Å; I183-L194 WeakPolarHBondContact O-CA 3.45Å; I183-A195 PolarHBondContact N-O 2.82Å; I183-A195 PolarHBondContact O-N 3.3Å |
| 184 | V | 94.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 113.9 | 177.2 | -178.8 | 0 | 0 | 0 | 0 | 109.8 | L163 I164 G165 A166 L168 F192 L194 | L163-V184 VanDerWaalsContact O-CB 3.25Å; L163-V184 WeakPolarHBondContact O-CB 3.25Å; I164-V184 CarbonylContact C-O 3.48Å; G165-V184 PolarHBondContact N-O 2.65Å; A166-V184 PolarHBondContact O-N 3Å; L168-V184 HydrophobicContact CB-CG2 4.39Å; L168-V184 HydrophobicContact CD1-CG2 3.39Å; L168-V184 HydrophobicContact CG-CG2 3.73Å; V184-F192 HydrophobicContact CG1-CD1 3.86Å; V184-F192 HydrophobicContact CG1-CE1 4.47Å; V184-F192 HydrophobicContact CG2-CD1 4.49Å; V184-L194 HydrophobicContact CB-CD2 4.1Å; V184-L194 HydrophobicContact CG2-CD2 3.42Å; V184-L194 VanDerWaalsContact CG2-CD2 3.42Å |
| 185 | I | 93.5 | Very high | 91 | Very high | 41 Ų | 41 | 47.6 Ų | 47.6 | 21% | 0.21 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | -33.6 | 176.4 | -65.3 | -170.3 | 0 | 0 | 0 | 111.4 | I114 I164 I183 C193 A195 L206 | I114-I185 HydrophobicContact CB-CD1 4.39Å; I114-I185 HydrophobicContact CD1-CD1 3.54Å; I114-I185 HydrophobicContact CD1-CG2 4.09Å; I114-I185 HydrophobicContact CG1-CD1 4.48Å; I114-I185 HydrophobicContact CG2-CD1 4.23Å; I164-I185 WeakPolarHBondContact CG2-O 3.34Å; I183-I185 PolarHBondContact O-N 2.89Å; I185-C193 PolarHBondContact N-O 3.24Å; I185-A195 HydrophobicContact CD1-CB 3.3Å; I185-A195 HydrophobicContact CG1-CB 3.87Å; I185-L206 HydrophobicContact CD1-CD2 3.84Å |
| 186 | M | 91.7 | Very high | 91.4 | Very high | 88 Ų | 88 | 45.7 Ų | 45.7 | 43% | 0.433 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 138.3 | -178.5 | -179.9 | 179 | 58.3 | 0 | 0 | 110 | T188 C193 | M186-T188 HydrophobicContact CE-CG2 4.3Å; M186-T188 HydrophobicContact CG-CG2 4.4Å; M186-T188 HydrophobicContact SD-CG2 4.38Å; M186-C193 HydrophobicContact CB-CB 3.83Å; M186-C193 HydrophobicContact CE-CB 3.91Å; M186-C193 PolarHBondContact N-O 3.23Å; M186-C193 PolarHBondContact O-N 3.49Å |
| 187 | E | 91.7 | Very high | 91.6 | Very high | 22 Ų | 22 | 49.3 Ų | 49.3 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 121.1 | 172.8 | 170.9 | 160.4 | -146.4 | 0 | 0 | 109.3 | I164 F192 K211 A250 R253 | I164-E187 HydrophobicContact CD1-CB 4.29Å; I164-E187 HydrophobicContact CG1-CB 3.93Å; E187-F192 HydrophobicContact CB-CD1 4.06Å; E187-F192 HydrophobicContact CB-CE1 4.06Å; E187-F192 HydrophobicContact CG-CD1 4.08Å; E187-F192 HydrophobicContact CG-CE1 3.74Å; E187-F192 WeakPolarHBondContact OE1-CE1 3.25Å; E187-K211 IonicContact OE1-NZ 2.6Å; E187-K211 PolarHBondContact OE1-NZ 2.98Å; E187-A250 WeakPolarHBondContact OE2-CB 3.49Å; E187-R253 VanDerWaalsContact CD-NH1 3.32Å; E187-R253 IonicContact OE1-CZ 3.97Å; E187-R253 IonicContact OE1-NH1 3.37Å; E187-R253 PolarHBondContact OE1-NH1 2.79Å; E187-R253 IonicContact OE1-NH2 2.95Å; E187-R253 PolarHBondContact OE1-NH2 2.88Å; E187-R253 IonicContact OE2-CZ 2.69Å; E187-R253 IonicContact OE2-NH1 3.69Å; E187-R253 PolarHBondContact OE2-NH1 3.17Å; E187-R253 IonicContact OE2-NH2 3.71Å; E187-R253 PolarHBondContact OE2-NH2 2.74Å |
| 188 | T | 90.2 | Very high | 91.4 | Very high | 45 Ų | 45 | 41.4 Ų | 41.4 | 28% | 0.276 | 24% | 0.239 | S | C | . | . | trans | -101.7 | -172.2 | 169.6 | 82.3 | 0 | 0 | 0 | 0 | 110 | M186 N190 T191 K211 | M186-T188 HydrophobicContact CE-CG2 4.3Å; M186-T188 HydrophobicContact CG-CG2 4.4Å; M186-T188 HydrophobicContact SD-CG2 4.38Å; T188-N190 PolarHBondContact OG1-N 3.02Å; T188-T191 PolarHBondContact N-O 3.39Å; T188-T191 PolarHBondContact OG1-N 2.98Å; T188-T191 PolarHBondContact OG1-O 3.33Å; T188-T191 PolarHBondContact OG1-OG1 3.2Å; T188-K211 WeakPolarHBondContact O-CE 3.45Å; T188-K211 PolarHBondContact O-NZ 3.2Å | ||
| 189 | K | 89.2 | Confident | 90.5 | Very high | 107 Ų | 107 | 47.4 Ų | 47.4 | 47% | 0.465 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -59.6 | -57.9 | 174.4 | -167.3 | -177.4 | 172.8 | -177.2 | 0 | 109.4 | K211 I247 R249 | K189-K211 WeakPolarHBondContact O-CE 3.45Å; K189-K211 PolarHBondContact O-NZ 3.03Å; K189-I247 CarbonylContact C-O 3.57Å; K189-I247 VanDerWaalsContact C-O 3.26Å; K189-I247 WeakPolarHBondContact CG-O 3.28Å; K189-I247 CarbonylContact O-C 3.58Å; K189-R249 HydrophobicContact CB-CG 4.15Å |
| 190 | N | 89.8 | Confident | 89.3 | Confident | 84 Ų | 84 | 52.5 Ų | 52.5 | 45% | 0.449 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -106.9 | -3.5 | -169.8 | -61.2 | 3.6 | 0 | 0 | 0 | 114.2 | T188 P210 K211 | T188-N190 PolarHBondContact OG1-N 3.02Å; N190-P210 CarbonylContact O-C 3.47Å; N190-P210 WeakPolarHBondContact O-CA 3Å; N190-K211 WeakPolarHBondContact O-CG 3.36Å; N190-K211 PolarHBondContact O-N 2.6Å |
| 191 | T | 92.6 | Very high | 88 | Confident | 34 Ų | 34 | 55.5 Ų | 55.5 | 21% | 0.209 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 152.1 | -175.5 | 67.5 | 0 | 0 | 0 | 0 | 112.6 | T188 T208 I209 P210 | T188-T191 PolarHBondContact N-O 3.39Å; T188-T191 PolarHBondContact OG1-N 2.98Å; T188-T191 PolarHBondContact OG1-O 3.33Å; T188-T191 PolarHBondContact OG1-OG1 3.2Å; T191-T208 HydrophobicContact CG2-CG2 4.08Å; T191-I209 CarbonylContact C-O 3.26Å; T191-I209 WeakPolarHBondContact CA-O 3.48Å; T191-I209 WeakPolarHBondContact CB-O 3.49Å; T191-P210 HydrophobicContact CG2-CB 4.48Å |
| 192 | F | 93.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 145.7 | 161.9 | -69.6 | -59.4 | 0 | 0 | 0 | 109.6 | L163 L168 V184 E187 L194 T208 I209 K211 F216 L246 | L163-F192 HydrophobicContact CB-CE1 4.48Å; L163-F192 HydrophobicContact CD1-CE1 4.4Å; L163-F192 HydrophobicContact CD1-CZ 3.96Å; L168-F192 HydrophobicContact CD1-CD2 4.31Å; L168-F192 HydrophobicContact CD1-CE2 4.29Å; V184-F192 HydrophobicContact CG1-CD1 3.86Å; V184-F192 HydrophobicContact CG1-CE1 4.47Å; V184-F192 HydrophobicContact CG2-CD1 4.49Å; E187-F192 HydrophobicContact CB-CD1 4.06Å; E187-F192 HydrophobicContact CB-CE1 4.06Å; E187-F192 HydrophobicContact CG-CD1 4.08Å; E187-F192 HydrophobicContact CG-CE1 3.74Å; E187-F192 WeakPolarHBondContact OE1-CE1 3.25Å; F192-L194 HydrophobicContact CB-CD2 4.45Å; F192-T208 CarbonylContact O-C 3.54Å; F192-T208 WeakPolarHBondContact O-CA 3.42Å; F192-I209 PolarHBondContact N-O 2.78Å; F192-I209 PolarHBondContact O-N 3.34Å; F192-K211 HydrophobicContact CD2-CD 4.28Å; F192-K211 HydrophobicContact CD2-CG 3.76Å; F192-K211 HydrophobicContact CE2-CD 3.86Å; F192-K211 HydrophobicContact CE2-CG 3.7Å; F192-K211 HydrophobicContact CG-CG 4.43Å; F192-K211 HydrophobicContact CZ-CD 4Å; F192-K211 HydrophobicContact CZ-CG 4.34Å; F192-F216 HydrophobicContact CD2-CE1 4.16Å; F192-F216 HydrophobicContact CD2-CE2 4.05Å; F192-F216 AromaticContact CD2-CZ 3.8Å; F192-F216 HydrophobicContact CD2-CZ 3.8Å; F192-F216 HydrophobicContact CE2-CD2 4.27Å; F192-F216 AromaticContact CE2-CE2 3.94Å; F192-F216 HydrophobicContact CE2-CE2 3.94Å; F192-F216 HydrophobicContact CE2-CZ 4.17Å; F192-L246 HydrophobicContact CE2-CD1 4.06Å; F192-L246 HydrophobicContact CZ-CB 4.43Å; F192-L246 HydrophobicContact CZ-CD1 4.06Å |
| 193 | C | 93.1 | Very high | 86.8 | Confident | 4 Ų | 4 | 63.2 Ų | 63.2 | 3% | 0.027 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 113.2 | 165.9 | -163.7 | 0 | 0 | 0 | 0 | 108 | I185 M186 T207 | I185-C193 PolarHBondContact N-O 3.24Å; M186-C193 HydrophobicContact CB-CB 3.83Å; M186-C193 HydrophobicContact CE-CB 3.91Å; M186-C193 PolarHBondContact N-O 3.23Å; M186-C193 PolarHBondContact O-N 3.49Å; C193-T207 CarbonylContact C-O 3.59Å; C193-T207 VanDerWaalsContact CA-O 3.27Å; C193-T207 WeakPolarHBondContact CA-O 3.46Å |
| 194 | L | 94.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 139.3 | 178 | -59.2 | -172.8 | 0 | 0 | 0 | 110.3 | L168 I170 I183 V184 F192 L206 T207 I209 | L168-L194 HydrophobicContact CB-CD2 4.43Å; I170-L194 HydrophobicContact CD1-CD1 4.44Å; I170-L194 HydrophobicContact CG1-CD1 4.43Å; I183-L194 CarbonylContact O-C 3.11Å; I183-L194 WeakPolarHBondContact O-CA 3.45Å; V184-L194 HydrophobicContact CB-CD2 4.1Å; V184-L194 HydrophobicContact CG2-CD2 3.42Å; V184-L194 VanDerWaalsContact CG2-CD2 3.42Å; F192-L194 HydrophobicContact CB-CD2 4.45Å; L194-L206 WeakPolarHBondContact O-CA 3.26Å; L194-T207 PolarHBondContact N-O 2.91Å; L194-T207 PolarHBondContact O-N 3.09Å; L194-I209 HydrophobicContact CB-CD1 4.12Å; L194-I209 HydrophobicContact CD1-CD1 3.3Å; L194-I209 HydrophobicContact CG-CD1 3.54Å |
| 195 | A | 93.7 | Very high | 86.2 | Confident | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.008 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 117.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | G182 I183 I185 M204 T205 L206 | G182-A195 CarbonylContact C-O 3.59Å; G182-A195 WeakPolarHBondContact CA-O 3.28Å; I183-A195 PolarHBondContact N-O 2.82Å; I183-A195 PolarHBondContact O-N 3.3Å; I185-A195 HydrophobicContact CD1-CB 3.3Å; I185-A195 HydrophobicContact CG1-CB 3.87Å; A195-M204 HydrophobicContact CB-CB 3.86Å; A195-M204 HydrophobicContact CB-CG 4.5Å; A195-M204 HydrophobicContact CB-SD 3.86Å; A195-T205 WeakPolarHBondContact CA-O 3.39Å; A195-L206 HydrophobicContact CB-CD2 3.84Å |
| 196 | I | 92.4 | Very high | 86.1 | Confident | 34 Ų | 34 | 65.3 Ų | 65.3 | 17% | 0.174 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 136.9 | 178.5 | -55.3 | 170.8 | 0 | 0 | 0 | 108.1 | I180 S198 M204 T205 T207 | I180-I196 HydrophobicContact CG2-CD1 3.35Å; I180-I196 HydrophobicContact CG2-CG1 3.79Å; I196-S198 PolarHBondContact O-N 2.89Å; I196-M204 CarbonylContact O-C 3.55Å; I196-M204 WeakPolarHBondContact O-CA 3.42Å; I196-M204 VanDerWaalsContact O-CB 3.25Å; I196-M204 WeakPolarHBondContact O-CB 3.15Å; I196-T205 PolarHBondContact N-O 3.03Å; I196-T205 PolarHBondContact O-N 2.74Å; I196-T207 HydrophobicContact CD1-CG2 3.38Å; I196-T207 VanDerWaalsContact CD1-OG1 3.25Å; I196-T207 WeakPolarHBondContact CD1-OG1 3.43Å; I196-T207 HydrophobicContact CG1-CG2 4.4Å |
| 197 | N | 87.1 | Confident | 86.1 | Confident | 109 Ų | 109 | 63.1 Ų | 63.1 | 58% | 0.583 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 116.9 | 173.1 | -162.6 | 18.5 | 0 | 0 | 0 | 109.9 | M204 | N197-M204 HydrophobicContact CB-CE 4.28Å |
| 198 | S | 79.8 | Confident | 86.1 | Confident | 46 Ų | 46 | 65 Ų | 65 | 32% | 0.322 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -84.5 | 130.4 | 171.3 | -174.7 | 0 | 0 | 0 | 0 | 108.4 | I196 H200 | I196-S198 PolarHBondContact O-N 2.89Å; S198-H200 PolarHBondContact O-N 3.21Å |
| 199 | L | 71 | Confident | 86.2 | Confident | 187 Ų | 187 | 63 Ų | 63 | 98% | 0.979 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -22.6 | -174.4 | -147.8 | 96.7 | 0 | 0 | 0 | 113.7 | ||
| 200 | H | 65.5 | Low | 86.3 | Confident | 157 Ų | 157 | 59.9 Ų | 59.9 | 73% | 0.727 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | -6.6 | -164.5 | -157.8 | -64.4 | 0 | 0 | 0 | 114.8 | S198 | S198-H200 PolarHBondContact O-N 3.21Š|
| 201 | N | 63.6 | Low | 86.5 | Confident | 104 Ų | 104 | 55.9 Ų | 55.9 | 56% | 0.556 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -151.8 | 158.8 | -176 | -84.1 | -40.4 | 0 | 0 | 0 | 112.5 | L203 | N201-L203 HydrophobicContact CB-CB 4.21Å; N201-L203 PolarHBondContact O-N 3.26Å |
| 202 | Q | 78.2 | Confident | 86.3 | Confident | 169 Ų | 169 | 59.4 Ų | 59.4 | 79% | 0.79 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -64.2 | 14.9 | 167 | -64.5 | 180 | -6.7 | 0 | 0 | 113.3 | S116 | S116-Q202 WeakPolarHBondContact CB-O 2.95Å; S116-Q202 PolarHBondContact N-O 3.37Å; S116-Q202 PolarHBondContact OG-O 3.15Å |
| 203 | L | 82.4 | Confident | 85.9 | Confident | 81 Ų | 81 | 60.6 Ų | 60.6 | 42% | 0.424 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 128 | 179.8 | -69.2 | 174.8 | 0 | 0 | 0 | 109.2 | A113 N201 | A113-L203 HydrophobicContact CB-CB 4.25Å; A113-L203 HydrophobicContact CB-CD2 4.44Å; N201-L203 HydrophobicContact CB-CB 4.21Å; N201-L203 PolarHBondContact O-N 3.26Å |
| 204 | M | 87.2 | Confident | 85.7 | Confident | 12 Ų | 12 | 60.4 Ų | 60.4 | 6% | 0.059 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 136.1 | 170.8 | -67.9 | -171.8 | 167.3 | 0 | 0 | 110.1 | A113 I114 S119 I120 A195 I196 N197 | A113-M204 CarbonylContact C-O 3.53Å; A113-M204 VanDerWaalsContact CA-O 3.22Å; A113-M204 WeakPolarHBondContact CA-O 3.36Å; I114-M204 PolarHBondContact N-O 2.99Å; I114-M204 PolarHBondContact O-N 3.2Å; S119-M204 WeakPolarHBondContact CB-SD 3.22Å; S119-M204 PolarHBondContact OG-SD 3.41Å; I120-M204 HydrophobicContact CG1-CE 4.3Å; A195-M204 HydrophobicContact CB-CB 3.86Å; A195-M204 HydrophobicContact CB-CG 4.5Å; A195-M204 HydrophobicContact CB-SD 3.86Å; I196-M204 CarbonylContact O-C 3.55Å; I196-M204 WeakPolarHBondContact O-CA 3.42Å; I196-M204 VanDerWaalsContact O-CB 3.25Å; I196-M204 WeakPolarHBondContact O-CB 3.15Å; N197-M204 HydrophobicContact CB-CE 4.28Å |
| 205 | T | 89.9 | Confident | 85.7 | Confident | 58 Ų | 58 | 63 Ų | 63 | 36% | 0.356 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 140.3 | 175.8 | 53.2 | 0 | 0 | 0 | 0 | 110.3 | A195 I196 | A195-T205 WeakPolarHBondContact CA-O 3.39Å; I196-T205 PolarHBondContact N-O 3.03Å; I196-T205 PolarHBondContact O-N 2.74Å |
| 206 | L | 91.1 | Very high | 85.6 | Confident | 30 Ų | 30 | 63 Ų | 63 | 16% | 0.157 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 123.3 | 179.2 | -57.7 | -167.2 | 0 | 0 | 0 | 111.5 | P111 S112 I114 I185 L194 A195 | P111-L206 HydrophobicContact CG-CD1 4.39Å; P111-L206 WeakPolarHBondContact O-CD1 3.22Å; S112-L206 PolarHBondContact O-N 3.45Å; I114-L206 HydrophobicContact CB-CD2 4.26Å; I114-L206 HydrophobicContact CD1-CD1 3.54Å; I114-L206 HydrophobicContact CD1-CD2 3.8Å; I114-L206 HydrophobicContact CD1-CG 4.17Å; I114-L206 HydrophobicContact CG1-CD1 3.85Å; I114-L206 HydrophobicContact CG1-CD2 3.97Å; I114-L206 HydrophobicContact CG1-CG 4.17Å; I185-L206 HydrophobicContact CD1-CD2 3.84Å; L194-L206 WeakPolarHBondContact O-CA 3.26Å; A195-L206 HydrophobicContact CB-CD2 3.84Å |
| 207 | T | 90.9 | Very high | 85.6 | Confident | 42 Ų | 42 | 62.2 Ų | 62.2 | 26% | 0.258 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 138.8 | 174.2 | 57.8 | 0 | 0 | 0 | 0 | 110.4 | C193 L194 I196 | C193-T207 CarbonylContact C-O 3.59Å; C193-T207 VanDerWaalsContact CA-O 3.27Å; C193-T207 WeakPolarHBondContact CA-O 3.46Å; L194-T207 PolarHBondContact N-O 2.91Å; L194-T207 PolarHBondContact O-N 3.09Å; I196-T207 HydrophobicContact CD1-CG2 3.38Å; I196-T207 VanDerWaalsContact CD1-OG1 3.25Å; I196-T207 WeakPolarHBondContact CD1-OG1 3.43Å; I196-T207 HydrophobicContact CG1-CG2 4.4Å |
| 208 | T | 92.1 | Very high | 85.8 | Confident | 61 Ų | 61 | 57 Ų | 57 | 37% | 0.374 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 122.8 | 176.5 | -54.7 | 0 | 0 | 0 | 0 | 108.6 | K110 T191 F192 | K110-T208 PolarHBondContact NZ-OG1 3.29Å; T191-T208 HydrophobicContact CG2-CG2 4.08Å; F192-T208 CarbonylContact O-C 3.54Å; F192-T208 WeakPolarHBondContact O-CA 3.42Å |
| 209 | I | 92.2 | Very high | 86.2 | Confident | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 130.1 | -175.3 | -67.4 | 135.7 | 0 | 0 | 0 | 108.9 | I170 T191 F192 L194 F216 | I170-I209 HydrophobicContact CD1-CB 4.4Å; I170-I209 HydrophobicContact CD1-CD1 3.36Å; I170-I209 HydrophobicContact CD1-CG1 3.66Å; I170-I209 HydrophobicContact CD1-CG2 3.98Å; I170-I209 HydrophobicContact CG1-CD1 4.34Å; T191-I209 CarbonylContact C-O 3.26Å; T191-I209 WeakPolarHBondContact CA-O 3.48Å; T191-I209 WeakPolarHBondContact CB-O 3.49Å; F192-I209 PolarHBondContact N-O 2.78Å; F192-I209 PolarHBondContact O-N 3.34Å; L194-I209 HydrophobicContact CB-CD1 4.12Å; L194-I209 HydrophobicContact CD1-CD1 3.3Å; L194-I209 HydrophobicContact CG-CD1 3.54Å; I209-F216 HydrophobicContact CG2-CE1 3.84Å; I209-F216 HydrophobicContact CG2-CZ 3.98Å |
| 210 | P | 92.8 | Very high | 86.8 | Confident | 43 Ų | 43 | 46.7 Ų | 46.7 | 28% | 0.279 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 145.7 | 173.6 | 33.4 | -34.8 | 0 | 0 | 0 | 111.2 | S175 N190 T191 S214 | S175-P210 WeakPolarHBondContact OG-CD 3.23Å; S175-P210 WeakPolarHBondContact OG-CG 3.45Å; N190-P210 CarbonylContact O-C 3.47Å; N190-P210 WeakPolarHBondContact O-CA 3Å; T191-P210 HydrophobicContact CG2-CB 4.48Å; P210-S214 WeakPolarHBondContact O-CB 3.47Å; P210-S214 PolarHBondContact O-OG 3.47Å |
| 211 | K | 92.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -78.3 | -39.6 | -179.9 | -58.6 | -178.3 | -172.6 | 175.5 | 0 | 111.7 | E187 T188 K189 N190 F192 G213 S214 G243 L246 H248 | E187-K211 IonicContact OE1-NZ 2.6Å; E187-K211 PolarHBondContact OE1-NZ 2.98Å; T188-K211 WeakPolarHBondContact O-CE 3.45Å; T188-K211 PolarHBondContact O-NZ 3.2Å; K189-K211 WeakPolarHBondContact O-CE 3.45Å; K189-K211 PolarHBondContact O-NZ 3.03Å; N190-K211 WeakPolarHBondContact O-CG 3.36Å; N190-K211 PolarHBondContact O-N 2.6Å; F192-K211 HydrophobicContact CD2-CD 4.28Å; F192-K211 HydrophobicContact CD2-CG 3.76Å; F192-K211 HydrophobicContact CE2-CD 3.86Å; F192-K211 HydrophobicContact CE2-CG 3.7Å; F192-K211 HydrophobicContact CG-CG 4.43Å; F192-K211 HydrophobicContact CZ-CD 4Å; F192-K211 HydrophobicContact CZ-CG 4.34Å; K211-G213 PolarHBondContact O-N 3.41Å; K211-S214 PolarHBondContact O-N 3.42Å; K211-S214 VanDerWaalsContact O-N 3.17Å; K211-G243 WeakPolarHBondContact CB-O 3.39Å; K211-G243 CarbonylContact O-C 3.16Å; K211-G243 WeakPolarHBondContact O-CA 3.37Å; K211-L246 HydrophobicContact CD-CB 4.03Å; K211-L246 WeakPolarHBondContact CD-O 3.47Å; K211-L246 WeakPolarHBondContact CE-O 3.19Å; K211-L246 PolarHBondContact NZ-O 3.2Å; K211-H248 PolarHBondContact NZ-O 3.06Å |
| 212 | L | 89.2 | Confident | 87.3 | Confident | 108 Ų | 108 | 39 Ų | 39 | 57% | 0.565 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 129.3 | 179.2 | -171.8 | 86 | 0 | 0 | 0 | 110.2 | S214 D244 I247 | L212-S214 PolarHBondContact O-N 2.91Å; L212-D244 VanDerWaalsContact CA-OD1 3.25Å; L212-D244 WeakPolarHBondContact CA-OD1 3.18Å; L212-D244 WeakPolarHBondContact CD1-OD1 3.4Å; L212-I247 HydrophobicContact CD1-CD1 3.54Å |
| 213 | G | 85.5 | Confident | 86.4 | Confident | 25 Ų | 25 | 33.6 Ų | 33.6 | 26% | 0.258 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 15.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | S173 T174 K211 D244 | S173-G213 WeakPolarHBondContact CA-O 3.38Å; T174-G213 PolarHBondContact N-O 3.04Å; K211-G213 PolarHBondContact O-N 3.41Å; G213-D244 PolarHBondContact N-OD1 3.25Å |
| 214 | S | 89.3 | Confident | 84.8 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 139.4 | 178.8 | -61.4 | 0 | 0 | 0 | 0 | 111.7 | R172 S173 P210 K211 L212 F216 G243 | R172-S214 CarbonylContact O-C 3.49Å; R172-S214 VanDerWaalsContact O-CA 3.26Å; R172-S214 WeakPolarHBondContact O-CA 3.4Å; S173-S214 WeakPolarHBondContact CB-OG 3.36Å; S173-S214 PolarHBondContact OG-OG 2.84Å; P210-S214 WeakPolarHBondContact O-CB 3.47Å; P210-S214 PolarHBondContact O-OG 3.47Å; K211-S214 PolarHBondContact O-N 3.42Å; K211-S214 VanDerWaalsContact O-N 3.17Å; L212-S214 PolarHBondContact O-N 2.91Å; S214-F216 VanDerWaalsContact CB-CZ 3.4Å; S214-G243 VanDerWaalsContact O-CA 3.3Å; S214-G243 WeakPolarHBondContact O-CA 3.48Å; S214-G243 PolarHBondContact O-N 2.98Å |
| 215 | L | 92.4 | Very high | 82.8 | Confident | 55 Ų | 55 | 40.7 Ų | 40.7 | 29% | 0.288 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 123.8 | 169.8 | -66.8 | 178.7 | 0 | 0 | 0 | 109.2 | L171 R172 L240 N242 | L171-L215 HydrophobicContact CB-CB 4.48Å; L171-L215 PolarHBondContact N-O 2.81Å; R172-L215 HydrophobicContact CB-CB 4.1Å; R172-L215 HydrophobicContact CB-CD1 4.13Å; R172-L215 HydrophobicContact CB-CG 4.27Å; R172-L215 PolarHBondContact N-O 2.81Å; R172-L215 PolarHBondContact O-N 3.07Å; L215-L240 HydrophobicContact CB-CD1 4.32Å; L215-N242 HydrophobicContact CD2-CB 4.09Å |
| 216 | F | 92.7 | Very high | 80.3 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 136 | -179 | -55.2 | -79.2 | 0 | 0 | 0 | 110.2 | L168 K169 I170 F192 I209 S214 L241 L246 | L168-F216 HydrophobicContact CD1-CB 4.47Å; L168-F216 HydrophobicContact CD1-CD1 4.4Å; L168-F216 HydrophobicContact CD1-CG 4.46Å; L168-F216 HydrophobicContact CD2-CB 4.4Å; K169-F216 CarbonylContact O-C 3.53Å; K169-F216 WeakPolarHBondContact O-CA 3.41Å; I170-F216 HydrophobicContact CG1-CD1 4.17Å; I170-F216 HydrophobicContact CG1-CE1 4.12Å; F192-F216 HydrophobicContact CD2-CE1 4.16Å; F192-F216 HydrophobicContact CD2-CE2 4.05Å; F192-F216 AromaticContact CD2-CZ 3.8Å; F192-F216 HydrophobicContact CD2-CZ 3.8Å; F192-F216 HydrophobicContact CE2-CD2 4.27Å; F192-F216 AromaticContact CE2-CE2 3.94Å; F192-F216 HydrophobicContact CE2-CE2 3.94Å; F192-F216 HydrophobicContact CE2-CZ 4.17Å; I209-F216 HydrophobicContact CG2-CE1 3.84Å; I209-F216 HydrophobicContact CG2-CZ 3.98Å; S214-F216 VanDerWaalsContact CB-CZ 3.4Å; F216-L241 HydrophobicContact CB-CB 4.36Å; F216-L241 PolarHBondContact N-O 3.23Å; F216-L241 PolarHBondContact O-N 3.17Å; F216-L246 HydrophobicContact CD2-CD1 4.41Å |
| 217 | L | 92.4 | Very high | 78.1 | Confident | 17 Ų | 17 | 51.3 Ų | 51.3 | 9% | 0.089 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 117.3 | 168.5 | -170.2 | 70 | 0 | 0 | 0 | 107.9 | L168 K169 L171 E238 | L168-L217 WeakPolarHBondContact CA-O 3.46Å; K169-L217 HydrophobicContact CB-CB 4.2Å; K169-L217 HydrophobicContact CD-CD2 4.33Å; K169-L217 PolarHBondContact N-O 2.92Å; K169-L217 PolarHBondContact O-N 2.89Å; L171-L217 HydrophobicContact CD1-CB 4.02Å; L171-L217 HydrophobicContact CD1-CD1 4.22Å; L171-L217 HydrophobicContact CD2-CB 4.32Å; L171-L217 HydrophobicContact CD2-CD2 4.3Å; L171-L217 HydrophobicContact CG-CB 3.95Å; L217-E238 HydrophobicContact CD1-CB 3.72Å; L217-E238 HydrophobicContact CD2-CB 4.41Å; L217-E238 HydrophobicContact CD2-CG 4.48Å; L217-E238 HydrophobicContact CG-CB 4.09Å |
| 218 | L | 91.8 | Very high | 75.5 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 116.5 | 173.3 | 172.8 | 64.2 | 0 | 0 | 0 | 108.9 | W126 I158 L163 A166 L168 L220 E238 I239 L241 | W126-L218 HydrophobicContact CH2-CD1 3.84Å; W126-L218 HydrophobicContact CH2-CD2 4.41Å; W126-L218 HydrophobicContact CZ2-CD1 4.34Å; I158-L218 HydrophobicContact CG2-CD2 4.09Å; L163-L218 HydrophobicContact CD2-CD2 4.34Å; A166-L218 HydrophobicContact CB-CD1 3.74Å; L168-L218 HydrophobicContact CD2-CB 3.84Å; L168-L218 HydrophobicContact CD2-CD1 3.74Å; L168-L218 HydrophobicContact CD2-CG 4.4Å; L218-L220 HydrophobicContact CD1-CD2 4.35Å; L218-L220 HydrophobicContact CD2-CD2 3.82Å; L218-L220 HydrophobicContact CG-CD2 3.84Å; L218-L220 HydrophobicContact CG-CG 4.38Å; L218-E238 WeakPolarHBondContact O-CA 3.44Å; L218-I239 HydrophobicContact CB-CB 4.34Å; L218-I239 PolarHBondContact N-O 3.03Å; L218-I239 PolarHBondContact O-N 2.99Å; L218-L241 HydrophobicContact CB-CD1 3.86Å; L218-L241 HydrophobicContact CB-CG 4.34Å; L218-L241 HydrophobicContact CD2-CD1 4.17Å |
| 219 | T | 87.5 | Confident | 73.1 | Confident | 13 Ų | 13 | 57 Ų | 57 | 8% | 0.08 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 122.2 | 174.7 | -52.4 | 0 | 0 | 0 | 0 | 109.2 | Q167 K236 | Q167-T219 PolarHBondContact O-N 2.69Å; T219-K236 HydrophobicContact CG2-CB 4.31Å; T219-K236 HydrophobicContact CG2-CD 4.06Å; T219-K236 HydrophobicContact CG2-CG 4.49Å |
| 220 | L | 83.5 | Confident | 70.7 | Confident | 4 Ų | 4 | 67.3 Ų | 67.3 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 144.6 | 179.4 | -60.7 | 177.8 | 0 | 0 | 0 | 111.1 | W126 F130 I151 L218 I237 I239 | W126-L220 HydrophobicContact CH2-CD2 3.64Å; W126-L220 HydrophobicContact CZ3-CD2 4.12Å; F130-L220 HydrophobicContact CD1-CD2 4.37Å; F130-L220 HydrophobicContact CD2-CD2 3.95Å; F130-L220 HydrophobicContact CE1-CB 4.39Å; F130-L220 HydrophobicContact CE1-CD1 4Å; F130-L220 HydrophobicContact CE1-CD2 3.98Å; F130-L220 HydrophobicContact CE1-CG 4.37Å; F130-L220 HydrophobicContact CE2-CD1 4.02Å; F130-L220 HydrophobicContact CE2-CD2 3.51Å; F130-L220 HydrophobicContact CE2-CG 4.39Å; F130-L220 HydrophobicContact CG-CD2 4.36Å; F130-L220 HydrophobicContact CZ-CB 4.49Å; F130-L220 HydrophobicContact CZ-CD1 3.37Å; F130-L220 HydrophobicContact CZ-CD2 3.55Å; F130-L220 HydrophobicContact CZ-CG 3.99Å; I151-L220 HydrophobicContact CD1-CD1 4.18Å; L218-L220 HydrophobicContact CD1-CD2 4.35Å; L218-L220 HydrophobicContact CD2-CD2 3.82Å; L218-L220 HydrophobicContact CG-CD2 3.84Å; L218-L220 HydrophobicContact CG-CG 4.38Å; L220-I237 HydrophobicContact CB-CB 4.16Å; L220-I237 HydrophobicContact CD1-CB 4.41Å; L220-I237 HydrophobicContact CD1-CG2 4.02Å; L220-I237 PolarHBondContact N-O 2.9Å; L220-I239 HydrophobicContact CD1-CD1 3.43Å; L220-I239 VanDerWaalsContact CD1-CD1 3.43Å; L220-I239 HydrophobicContact CD1-CG1 4.04Å; L220-I239 HydrophobicContact CG-CD1 4.3Å |
| 221 | P | 72.9 | Confident | 68.5 | Low | 28 Ų | 28 | 70.6 Ų | 70.6 | 18% | 0.182 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 137.7 | 171.9 | 30.6 | -35.9 | 0 | 0 | 0 | 109.9 | N127 M223 | N127-P221 HydrophobicContact CB-CB 4.48Å; N127-P221 HydrophobicContact CB-CG 3.92Å; N127-P221 WeakPolarHBondContact OD1-CG 3.31Å; P221-M223 PolarHBondContact O-N 3.33Å |
| 222 | Q | 66.6 | Low | 65.8 | Low | 71 Ų | 71 | 76 Ų | 76 | 33% | 0.332 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 120.8 | 172.4 | -170.2 | 179.2 | 1.7 | 0 | 0 | 109.2 | M224 | Q222-M224 PolarHBondContact O-N 3.04Å; Q222-M224 VanDerWaalsContact O-N 3.15Å |
| 223 | M | 59.5 | Low | 63.7 | Low | 55 Ų | 55 | 75.3 Ų | 75.3 | 27% | 0.271 | 42% | 0.424 | S | S | . | . | trans | -78.7 | 95.2 | 168.7 | -61.4 | -165.3 | 73.3 | 0 | 0 | 106.8 | Q131 M134 T147 P221 N225 | Q131-M223 HydrophobicContact CB-CE 3.83Å; Q131-M223 HydrophobicContact CG-CE 3.86Å; Q131-M223 HydrophobicContact CG-CG 4.34Å; Q131-M223 HydrophobicContact CG-SD 4.43Å; M134-M223 HydrophobicContact CB-SD 4.19Å; T147-M223 HydrophobicContact CG2-CB 4.43Å; P221-M223 PolarHBondContact O-N 3.33Å; M223-N225 PolarHBondContact O-N 2.83Å | ||
| 224 | M | 48.8 | Very low | 62.2 | Low | 128 Ų | 128 | 80.9 Ų | 80.9 | 63% | 0.631 | 44% | 0.443 | S | S | * | . | trans | -63 | 118 | 179.6 | -74 | -149.1 | 163.1 | 0 | 0 | 110.3 | Q222 | Q222-M224 PolarHBondContact O-N 3.04Å; Q222-M224 VanDerWaalsContact O-N 3.15Å | ||
| 225 | N | 45.2 | Very low | 60.7 | Low | 114 Ų | 114 | 85 Ų | 85 | 61% | 0.61 | 46% | 0.462 | S | S | * | . | trans | -79.5 | 128.2 | 153.3 | -95.2 | -6.3 | 0 | 0 | 0 | 107 | M223 Q227 | M223-N225 PolarHBondContact O-N 2.83Å; N225-Q227 PolarHBondContact O-N 2.8Å | ||
| 226 | N | 37.9 | Very low | 59.7 | Low | 165 Ų | 165 | 88.9 Ų | 88.9 | 88% | 0.882 | 48% | 0.476 | S | S | * | . | trans | -63.8 | 75.9 | 170 | -71.2 | -20.1 | 0 | 0 | 0 | 110.2 | ||||
| 227 | Q | 43.6 | Very low | 59 | Low | 146 Ų | 146 | 89.9 Ų | 89.9 | 68% | 0.682 | 48% | 0.481 | S | S | * | . | trans | -128.9 | 107.8 | 163.3 | -75.2 | -170.7 | -14.4 | 0 | 0 | 108.4 | N225 S229 | N225-Q227 PolarHBondContact O-N 2.8Å; Q227-S229 PolarHBondContact O-N 2.99Å; Q227-S229 VanDerWaalsContact O-N 3.07Å | ||
| 228 | S | 36.5 | Very low | 58.6 | Low | 126 Ų | 126 | 92.7 Ų | 92.7 | 88% | 0.881 | 49% | 0.494 | S | S | * | . | trans | -40.5 | 100.9 | 166.9 | 48.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 229 | S | 41.9 | Very low | 58.4 | Low | 98 Ų | 98 | 93.4 Ų | 93.4 | 69% | 0.685 | 50% | 0.498 | S | S | * | . | trans | -148.2 | 125.9 | 153 | 58.7 | 0 | 0 | 0 | 0 | 109.6 | Q227 T231 | Q227-S229 PolarHBondContact O-N 2.99Å; Q227-S229 VanDerWaalsContact O-N 3.07Å; S229-T231 PolarHBondContact O-N 2.98Å | ||
| 230 | K | 42.7 | Very low | 58.5 | Low | 218 Ų | 218 | 96.2 Ų | 96.2 | 95% | 0.948 | 51% | 0.512 | S | S | * | . | trans | -79.8 | 48.4 | -168.3 | -71.2 | 176.9 | 172.6 | 175.4 | 0 | 113.1 | ||||
| 231 | T | 45.2 | Very low | 58.8 | Low | 111 Ų | 111 | 96.4 Ų | 96.4 | 68% | 0.681 | 51% | 0.513 | S | S | * | . | trans | -129.9 | 86.2 | 172.7 | 49.9 | 0 | 0 | 0 | 0 | 109.6 | S229 T233 | S229-T231 PolarHBondContact O-N 2.98Å; T231-T233 VanDerWaalsContact C-N 3.31Å; T231-T233 PolarHBondContact O-N 2.83Å | ||
| 232 | S | 37.3 | Very low | 59.6 | Low | 114 Ų | 114 | 97 Ų | 97 | 80% | 0.797 | 52% | 0.515 | S | S | * | . | trans | -74.5 | 74.1 | -174.9 | 56.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 233 | T | 45.4 | Very low | 60.7 | Low | 94 Ų | 94 | 93.7 Ų | 93.7 | 58% | 0.577 | 50% | 0.499 | S | S | * | . | trans | -98.3 | 108 | 155.3 | 53.8 | 0 | 0 | 0 | 0 | 106.9 | T231 Q235 | T231-T233 VanDerWaalsContact C-N 3.31Å; T231-T233 PolarHBondContact O-N 2.83Å; T233-Q235 VanDerWaalsContact C-N 3.3Å; T233-Q235 PolarHBondContact O-N 2.91Å | ||
| 234 | H | 52.4 | Low | 62 | Low | 142 Ų | 142 | 93.5 Ų | 93.5 | 66% | 0.657 | 50% | 0.499 | S | S | * | . | trans | -62.1 | 92 | 175.4 | -77.3 | -77.4 | 0 | 0 | 0 | 109.2 | K236 | H234-K236 PolarHBondContact O-N 3.44Š| ||
| 235 | Q | 59.1 | Low | 63.8 | Low | 87 Ų | 87 | 90.4 Ų | 90.4 | 41% | 0.407 | 48% | 0.483 | S | S | . | . | trans | -68.6 | 104.7 | 175.2 | -73.1 | -175.8 | -14.3 | 0 | 0 | 108.5 | T233 | T233-Q235 VanDerWaalsContact C-N 3.3Å; T233-Q235 PolarHBondContact O-N 2.91Å | ||
| 236 | K | 69.9 | Low | 65.8 | Low | 136 Ų | 136 | 85 Ų | 85 | 59% | 0.591 | 45% | 0.454 | S | S | * | . | trans | -82.4 | 136.1 | 170.8 | -66.9 | -180 | -179.7 | 179 | 0 | 108.5 | T219 H234 | T219-K236 HydrophobicContact CG2-CB 4.31Å; T219-K236 HydrophobicContact CG2-CD 4.06Å; T219-K236 HydrophobicContact CG2-CG 4.49Å; H234-K236 PolarHBondContact O-N 3.44Å | ||
| 237 | I | 78 | Confident | 68.1 | Low | 20 Ų | 20 | 79.1 Ų | 79.1 | 10% | 0.103 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 123.9 | 172.8 | -57.8 | 168.9 | 0 | 0 | 0 | 107 | N148 I151 L220 I239 | N148-I237 VanDerWaalsContact OD1-CD1 3.23Å; N148-I237 WeakPolarHBondContact OD1-CD1 3.25Å; I151-I237 HydrophobicContact CD1-CD1 3.59Å; I151-I237 HydrophobicContact CD1-CG2 4.03Å; L220-I237 HydrophobicContact CB-CB 4.16Å; L220-I237 HydrophobicContact CD1-CB 4.41Å; L220-I237 HydrophobicContact CD1-CG2 4.02Å; L220-I237 PolarHBondContact N-O 2.9Å; I237-I239 HydrophobicContact CG2-CG1 4.48Å |
| 238 | E | 85.2 | Confident | 70 | Confident | 76 Ų | 76 | 74.5 Ų | 74.5 | 36% | 0.355 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 133 | -178.6 | -57.2 | -171.3 | 152.1 | 0 | 0 | 109.9 | L217 L218 | L217-E238 HydrophobicContact CD1-CB 3.72Å; L217-E238 HydrophobicContact CD2-CB 4.41Å; L217-E238 HydrophobicContact CD2-CG 4.48Å; L217-E238 HydrophobicContact CG-CB 4.09Å; L218-E238 WeakPolarHBondContact O-CA 3.44Å |
| 239 | I | 87 | Confident | 72.4 | Confident | 16 Ų | 16 | 75.3 Ų | 75.3 | 8% | 0.082 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 124.4 | -178.3 | -58.5 | -176.1 | 0 | 0 | 0 | 109.1 | I151 I158 L218 L220 I237 L241 | I151-I239 HydrophobicContact CG2-CD1 3.59Å; I158-I239 HydrophobicContact CD1-CD1 3.32Å; I158-I239 HydrophobicContact CG1-CD1 4.47Å; I158-I239 HydrophobicContact CG2-CD1 4.38Å; L218-I239 HydrophobicContact CB-CB 4.34Å; L218-I239 PolarHBondContact N-O 3.03Å; L218-I239 PolarHBondContact O-N 2.99Å; L220-I239 HydrophobicContact CD1-CD1 3.43Å; L220-I239 VanDerWaalsContact CD1-CD1 3.43Å; L220-I239 HydrophobicContact CD1-CG1 4.04Å; L220-I239 HydrophobicContact CG-CD1 4.3Å; I237-I239 HydrophobicContact CG2-CG1 4.48Å; I239-L241 HydrophobicContact CG2-CD2 3.96Å; I239-L241 HydrophobicContact CG2-CG 4.45Å |
| 240 | L | 90.1 | Very high | 74.4 | Confident | 71 Ų | 71 | 70.9 Ų | 70.9 | 37% | 0.372 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 124.4 | 174.4 | -171 | 63 | 0 | 0 | 0 | 110.6 | L171 L215 | L171-L240 HydrophobicContact CD1-CD1 3.63Å; L215-L240 HydrophobicContact CB-CD1 4.32Å |
| 241 | L | 90.6 | Very high | 76.5 | Confident | 8 Ų | 8 | 63.9 Ų | 63.9 | 4% | 0.042 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 121 | 179.2 | -59.7 | 177.3 | 0 | 0 | 0 | 110.2 | I158 L159 L163 L168 F216 L218 I239 G243 L246 | I158-L241 HydrophobicContact CG2-CD2 4.34Å; L159-L241 HydrophobicContact CD2-CD2 4.4Å; L163-L241 HydrophobicContact CD1-CD1 4.26Å; L168-L241 HydrophobicContact CD2-CD1 4.46Å; F216-L241 HydrophobicContact CB-CB 4.36Å; F216-L241 PolarHBondContact N-O 3.23Å; F216-L241 PolarHBondContact O-N 3.17Å; L218-L241 HydrophobicContact CB-CD1 3.86Å; L218-L241 HydrophobicContact CB-CG 4.34Å; L218-L241 HydrophobicContact CD2-CD1 4.17Å; I239-L241 HydrophobicContact CG2-CD2 3.96Å; I239-L241 HydrophobicContact CG2-CG 4.45Å; L241-G243 PolarHBondContact O-N 3.28Å; L241-L246 HydrophobicContact CB-CD1 4.05Å; L241-L246 HydrophobicContact CD1-CD1 4.23Å |
| 242 | N | 89.7 | Confident | 78.4 | Confident | 42 Ų | 42 | 61.4 Ų | 61.4 | 23% | 0.225 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 118.4 | 169.6 | -175.3 | -4.2 | 0 | 0 | 0 | 110.1 | L215 D244 H245 | L215-N242 HydrophobicContact CD2-CB 4.09Å; N242-D244 PolarHBondContact O-N 3.39Å; N242-D244 PolarHBondContact OD1-N 3.06Å; N242-H245 PolarHBondContact O-N 3.49Å; N242-H245 VanDerWaalsContact O-N 3.12Å |
| 243 | G | 89.1 | Confident | 80.7 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -63.4 | -23.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | K211 S214 L241 H245 L246 I247 | K211-G243 WeakPolarHBondContact CB-O 3.39Å; K211-G243 CarbonylContact O-C 3.16Å; K211-G243 WeakPolarHBondContact O-CA 3.37Å; S214-G243 VanDerWaalsContact O-CA 3.3Å; S214-G243 WeakPolarHBondContact O-CA 3.48Å; S214-G243 PolarHBondContact O-N 2.98Å; L241-G243 PolarHBondContact O-N 3.28Å; G243-H245 PolarHBondContact O-N 2.94Å; G243-L246 WeakPolarHBondContact O-CA 3.23Å; G243-L246 PolarHBondContact O-N 3.33Å; G243-I247 PolarHBondContact O-N 3.03Å |
| 244 | D | 86.7 | Confident | 82.5 | Confident | 52 Ų | 52 | 51.6 Ų | 51.6 | 28% | 0.278 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -63.4 | -32.8 | 174.9 | -67.9 | -16.3 | 0 | 0 | 0 | 111.9 | L212 G213 N242 L246 I247 | L212-D244 VanDerWaalsContact CA-OD1 3.25Å; L212-D244 WeakPolarHBondContact CA-OD1 3.18Å; L212-D244 WeakPolarHBondContact CD1-OD1 3.4Å; G213-D244 PolarHBondContact N-OD1 3.25Å; N242-D244 PolarHBondContact O-N 3.39Å; N242-D244 PolarHBondContact OD1-N 3.06Å; D244-L246 VanDerWaalsContact C-N 3.28Å; D244-L246 PolarHBondContact O-N 3.12Å; D244-I247 WeakPolarHBondContact O-CD1 3.28Å; D244-I247 VanDerWaalsContact O-CG1 3.28Å; D244-I247 WeakPolarHBondContact O-CG1 3.42Å |
| 245 | H | 85.5 | Confident | 83.9 | Confident | 63 Ų | 63 | 49.8 Ų | 49.8 | 29% | 0.292 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -76.9 | -17.7 | 174.2 | -61.8 | -40.7 | 0 | 0 | 0 | 112.4 | N242 G243 W258 | N242-H245 PolarHBondContact O-N 3.49Å; N242-H245 VanDerWaalsContact O-N 3.12Å; G243-H245 PolarHBondContact O-N 2.94Å; H245-W258 HydrophobicContact CB-CZ3 4.11Å; H245-W258 VanDerWaalsContact O-CH2 3.25Å; H245-W258 WeakPolarHBondContact O-CH2 3.47Å; H245-W258 VanDerWaalsContact O-CZ3 3.31Å; H245-W258 WeakPolarHBondContact O-CZ3 3.42Å |
| 246 | L | 88.3 | Confident | 84.8 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -95.3 | 5.8 | -177.7 | -60.1 | 178.6 | 0 | 0 | 0 | 114.4 | L159 L163 F192 K211 F216 L241 G243 D244 H248 | L159-L246 HydrophobicContact CD2-CD2 4.33Å; L163-L246 HydrophobicContact CD1-CD1 4.16Å; L163-L246 HydrophobicContact CD1-CD2 4.48Å; F192-L246 HydrophobicContact CE2-CD1 4.06Å; F192-L246 HydrophobicContact CZ-CB 4.43Å; F192-L246 HydrophobicContact CZ-CD1 4.06Å; K211-L246 HydrophobicContact CD-CB 4.03Å; K211-L246 WeakPolarHBondContact CD-O 3.47Å; K211-L246 WeakPolarHBondContact CE-O 3.19Å; K211-L246 PolarHBondContact NZ-O 3.2Å; F216-L246 HydrophobicContact CD2-CD1 4.41Å; L241-L246 HydrophobicContact CB-CD1 4.05Å; L241-L246 HydrophobicContact CD1-CD1 4.23Å; G243-L246 WeakPolarHBondContact O-CA 3.23Å; G243-L246 PolarHBondContact O-N 3.33Å; D244-L246 VanDerWaalsContact C-N 3.28Å; D244-L246 PolarHBondContact O-N 3.12Å; L246-H248 PolarHBondContact O-N 3.25Å |
| 247 | I | 86.6 | Confident | 85.3 | Confident | 40 Ų | 40 | 51.8 Ų | 51.8 | 21% | 0.205 | 24% | 0.243 | C | C | . | . | trans | -59.3 | -10 | -178.3 | -64.2 | 169.8 | 0 | 0 | 0 | 114 | K189 L212 G243 D244 | K189-I247 CarbonylContact C-O 3.57Å; K189-I247 VanDerWaalsContact C-O 3.26Å; K189-I247 WeakPolarHBondContact CG-O 3.28Å; K189-I247 CarbonylContact O-C 3.58Å; L212-I247 HydrophobicContact CD1-CD1 3.54Å; G243-I247 PolarHBondContact O-N 3.03Å; D244-I247 WeakPolarHBondContact O-CD1 3.28Å; D244-I247 VanDerWaalsContact O-CG1 3.28Å; D244-I247 WeakPolarHBondContact O-CG1 3.42Å | ||
| 248 | H | 83.9 | Confident | 85.3 | Confident | 49 Ų | 49 | 53.2 Ų | 53.2 | 23% | 0.227 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -95.7 | 151.7 | 175.6 | -63 | -84 | 0 | 0 | 0 | 110.4 | K211 L246 D252 R253 R256 | K211-H248 PolarHBondContact NZ-O 3.06Å; L246-H248 PolarHBondContact O-N 3.25Å; H248-D252 HydrophobicContact CB-CB 3.95Å; H248-R253 HydrophobicContact CB-CG 3.87Å; H248-R253 PolarHBondContact O-NH1 3.36Å; H248-R256 PolarHBondContact CD2-NH1 3.18Å; H248-R256 VanDerWaalsContact NE2-CZ 3.28Å; H248-R256 PolarHBondContact NE2-NH1 2.81Å |
| 249 | R | 85 | Confident | 85 | Confident | 143 Ų | 143 | 59.6 Ų | 59.6 | 54% | 0.54 | 27% | 0.268 | S | S | . | . | trans | -63.1 | 157.7 | 174.2 | -60.7 | 177.2 | 178.2 | -175.8 | -0.6 | 109.5 | K189 I251 D252 R253 | K189-R249 HydrophobicContact CB-CG 4.15Å; R249-I251 PolarHBondContact O-N 3.43Å; R249-D252 WeakPolarHBondContact CB-OD2 2.83Å; R249-D252 WeakPolarHBondContact O-CB 3.15Å; R249-D252 PolarHBondContact O-N 2.91Å; R249-R253 PolarHBondContact O-N 2.8Å | ||
| 250 | A | 85.8 | Confident | 84.4 | Confident | 5 Ų | 5 | 67 Ų | 67 | 4% | 0.041 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -48.4 | -47 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | N162 E187 D252 R253 A254 | N162-A250 HydrophobicContact CB-CB 4.27Å; E187-A250 WeakPolarHBondContact OE2-CB 3.49Å; A250-D252 VanDerWaalsContact C-N 3.29Å; A250-D252 PolarHBondContact O-N 2.74Å; A250-R253 PolarHBondContact O-N 2.88Å; A250-A254 WeakPolarHBondContact O-CB 3.25Å; A250-A254 PolarHBondContact O-N 3.39Å |
| 251 | I | 84.8 | Confident | 83.5 | Confident | 72 Ų | 72 | 68.1 Ų | 68.1 | 37% | 0.369 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.7 | -37.5 | -179 | -146.1 | 144.9 | 0 | 0 | 0 | 112.3 | N66 R249 I255 | N66-I251 HydrophobicContact CB-CD1 4.23Å; N66-I251 WeakPolarHBondContact ND2-CG1 3.3Å; R249-I251 PolarHBondContact O-N 3.43Å; I251-I255 PolarHBondContact O-N 2.76Å |
| 252 | D | 86 | Confident | 82.2 | Confident | 58 Ų | 58 | 71.1 Ų | 71.1 | 31% | 0.31 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -73.8 | -44.1 | -179.6 | -61.2 | -35.1 | 0 | 0 | 0 | 109.6 | H248 R249 A250 A254 I255 R256 | H248-D252 HydrophobicContact CB-CB 3.95Å; R249-D252 WeakPolarHBondContact CB-OD2 2.83Å; R249-D252 WeakPolarHBondContact O-CB 3.15Å; R249-D252 PolarHBondContact O-N 2.91Å; A250-D252 VanDerWaalsContact C-N 3.29Å; A250-D252 PolarHBondContact O-N 2.74Å; D252-A254 VanDerWaalsContact C-N 3.27Å; D252-A254 PolarHBondContact O-N 3.16Å; D252-I255 WeakPolarHBondContact O-CG1 3.26Å; D252-I255 PolarHBondContact O-N 3.45Å; D252-R256 VanDerWaalsContact O-CB 3.26Å; D252-R256 WeakPolarHBondContact O-CB 3.31Å; D252-R256 PolarHBondContact O-N 3.35Å |
| 253 | R | 86.4 | Confident | 80.6 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -56 | -43 | 175.4 | -76.9 | -159.4 | -49.8 | -80.9 | 6.9 | 112 | L159 L161 E187 H248 R249 A250 I255 R256 W258 | L159-R253 WeakPolarHBondContact O-CD 3.44Å; L159-R253 PolarHBondContact O-NE 2.76Å; L161-R253 PolarHBondContact O-NH2 3.46Å; E187-R253 VanDerWaalsContact CD-NH1 3.32Å; E187-R253 IonicContact OE1-CZ 3.97Å; E187-R253 IonicContact OE1-NH1 3.37Å; E187-R253 PolarHBondContact OE1-NH1 2.79Å; E187-R253 IonicContact OE1-NH2 2.95Å; E187-R253 PolarHBondContact OE1-NH2 2.88Å; E187-R253 IonicContact OE2-CZ 2.69Å; E187-R253 IonicContact OE2-NH1 3.69Å; E187-R253 PolarHBondContact OE2-NH1 3.17Å; E187-R253 IonicContact OE2-NH2 3.71Å; E187-R253 PolarHBondContact OE2-NH2 2.74Å; H248-R253 HydrophobicContact CB-CG 3.87Å; H248-R253 PolarHBondContact O-NH1 3.36Å; R249-R253 PolarHBondContact O-N 2.8Å; A250-R253 PolarHBondContact O-N 2.88Å; R253-I255 PolarHBondContact O-N 3.49Å; R253-R256 WeakPolarHBondContact O-CB 3.32Å; R253-R256 PolarHBondContact O-N 2.78Å; R253-W258 HydrophobicContact CB-CZ2 3.85Å; R253-W258 HydrophobicContact CG-CH2 4.02Å; R253-W258 HydrophobicContact CG-CZ2 3.86Å; R253-W258 PolarHBondContact O-NE1 3.36Å |
| 254 | A | 82.5 | Confident | 78.8 | Confident | 2 Ų | 2 | 77.4 Ų | 77.4 | 2% | 0.017 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -70.9 | -28.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S62 N64 R160 A250 D252 | S62-A254 WeakPolarHBondContact CB-O 3.39Å; S62-A254 PolarHBondContact OG-O 3.34Å; N64-A254 VanDerWaalsContact ND2-CB 3.31Å; N64-A254 WeakPolarHBondContact ND2-CB 3.04Å; N64-A254 PolarHBondContact ND2-O 3.22Å; N64-A254 WeakPolarHBondContact OD1-CB 3.33Å; R160-A254 HydrophobicContact CB-CB 4.36Å; A250-A254 WeakPolarHBondContact O-CB 3.25Å; A250-A254 PolarHBondContact O-N 3.39Å; D252-A254 VanDerWaalsContact C-N 3.27Å; D252-A254 PolarHBondContact O-N 3.16Å |
| 255 | I | 82.2 | Confident | 76.6 | Confident | 105 Ų | 105 | 78.6 Ų | 78.6 | 54% | 0.538 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -91.5 | -9.1 | 171 | 60.9 | 177.7 | 0 | 0 | 0 | 113.6 | N64 I251 D252 R253 | N64-I255 WeakPolarHBondContact ND2-CG2 3.42Å; N64-I255 PolarHBondContact ND2-N 3.4Å; I251-I255 PolarHBondContact O-N 2.76Å; D252-I255 WeakPolarHBondContact O-CG1 3.26Å; D252-I255 PolarHBondContact O-N 3.45Å; R253-I255 PolarHBondContact O-N 3.49Å |
| 256 | R | 77.7 | Confident | 74.4 | Confident | 87 Ų | 87 | 85.6 Ų | 85.6 | 33% | 0.328 | 40% | 0.404 | S | S | . | . | trans | -72.9 | 138.7 | -173.2 | -168.2 | 170 | -170.2 | -153.6 | 2.2 | 111.3 | H248 D252 R253 W258 | H248-R256 PolarHBondContact CD2-NH1 3.18Å; H248-R256 VanDerWaalsContact NE2-CZ 3.28Å; H248-R256 PolarHBondContact NE2-NH1 2.81Å; D252-R256 VanDerWaalsContact O-CB 3.26Å; D252-R256 WeakPolarHBondContact O-CB 3.31Å; D252-R256 PolarHBondContact O-N 3.35Å; R253-R256 WeakPolarHBondContact O-CB 3.32Å; R253-R256 PolarHBondContact O-N 2.78Å; R256-W258 PolarHBondContact O-N 2.79Å | ||
| 257 | K | 81.2 | Confident | 72.2 | Confident | 178 Ų | 178 | 88.4 Ų | 88.4 | 77% | 0.774 | 42% | 0.417 | S | S | * | . | trans | -77.7 | 110.2 | 161.7 | -65.4 | -173.6 | 179.2 | -174.3 | 0 | 108.2 | ||||
| 258 | W | 77.6 | Confident | 69.9 | Low | 50 Ų | 50 | 96 Ų | 96 | 19% | 0.189 | 45% | 0.445 | C | S | . | . | trans | -70.4 | 133.8 | 176.1 | -66.3 | 87.5 | 0 | 0 | 0 | 109.2 | L159 H245 R253 R256 | L159-W258 HydrophobicContact CB-CH2 4Å; L159-W258 HydrophobicContact CB-CZ2 3.71Å; L159-W258 HydrophobicContact CD1-CD2 4.27Å; L159-W258 HydrophobicContact CD1-CE3 4.1Å; L159-W258 HydrophobicContact CD1-CZ3 4.24Å; H245-W258 HydrophobicContact CB-CZ3 4.11Å; H245-W258 VanDerWaalsContact O-CH2 3.25Å; H245-W258 WeakPolarHBondContact O-CH2 3.47Å; H245-W258 VanDerWaalsContact O-CZ3 3.31Å; H245-W258 WeakPolarHBondContact O-CZ3 3.42Å; R253-W258 HydrophobicContact CB-CZ2 3.85Å; R253-W258 HydrophobicContact CG-CH2 4.02Å; R253-W258 HydrophobicContact CG-CZ2 3.86Å; R253-W258 PolarHBondContact O-NE1 3.36Å; R256-W258 PolarHBondContact O-N 2.79Å | ||
| 259 | R | 77.6 | Confident | 67.7 | Low | 209 Ų | 209 | 100.9 Ų | 100.9 | 79% | 0.789 | 47% | 0.473 | S | S | * | . | trans | -127.5 | 138.9 | 174.8 | -67 | -176.9 | 178.4 | 174.7 | -2.3 | 106.6 | I261 | R259-I261 PolarHBondContact O-N 2.95Š| ||
| 260 | Y | 75.9 | Confident | 65.4 | Low | 171 Ų | 171 | 100.3 Ų | 100.3 | 67% | 0.671 | 48% | 0.476 | S | S | * | . | trans | -62.5 | 127 | 167.9 | 179.9 | -107.9 | 0 | 0 | 0 | 108.5 | P262 E267 | Y260-P262 HydrophobicContact CE1-CB 4.15Å; Y260-E267 PolarHBondContact OH-OE1 2.96Å; Y260-E267 PolarHBondContact OH-OE2 2.86Å | ||
| 261 | I | 69.4 | Low | 62.5 | Low | 96 Ų | 96 | 106.9 Ų | 106.9 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | trans | -121.9 | 113.1 | 173.2 | -59.8 | 171.5 | 0 | 0 | 0 | 104.3 | R259 T263 | R259-I261 PolarHBondContact O-N 2.95Å; I261-T263 PolarHBondContact O-N 3.29Å | ||
| 262 | P | 63.9 | Low | 60.1 | Low | 71 Ų | 71 | 108.7 Ų | 108.7 | 46% | 0.461 | 54% | 0.536 | S | S | . | . | trans | -62.1 | 127.9 | 177 | 24.9 | -31.9 | 0 | 0 | 0 | 108.9 | Y260 E267 | Y260-P262 HydrophobicContact CE1-CB 4.15Å; P262-E267 WeakPolarHBondContact CA-OE2 3.3Å; P262-E267 WeakPolarHBondContact CB-OE2 3.41Å | ||
| 263 | T | 57.4 | Low | 57.4 | Low | 53 Ų | 53 | 113.3 Ų | 113.3 | 33% | 0.325 | 56% | 0.56 | S | S | . | * | trans | -101.4 | 98 | -175.6 | 24.1 | 0 | 0 | 0 | 0 | 109.4 | I261 E267 | I261-T263 PolarHBondContact O-N 3.29Å; T263-E267 PolarHBondContact N-OE2 2.78Å | ||
| 264 | T | 49.5 | Very low | 54.8 | Low | 120 Ų | 120 | 115.8 Ų | 115.8 | 74% | 0.736 | 58% | 0.575 | S | S | * | * | S | Bend | trans | 66.2 | 158.7 | 167 | 66.2 | 0 | 0 | 0 | 0 | 116.4 | Y266 E267 | T264-Y266 PolarHBondContact O-N 3.2Å; T264-E267 PolarHBondContact O-N 2.9Å |
| 265 | A | 40.7 | Very low | 52.4 | Low | 78 Ų | 78 | 122.6 Ų | 122.6 | 65% | 0.645 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | -4.7 | -157.1 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 266 | Y | 40.5 | Very low | 50.1 | Low | 209 Ų | 209 | 122.9 Ų | 122.9 | 82% | 0.82 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -30.1 | 175.3 | -93.1 | -89.1 | 0 | 0 | 0 | 113.4 | T264 | T264-Y266 PolarHBondContact O-N 3.2Š|
| 267 | E | 42.2 | Very low | 48 | Very low | 60 Ų | 60 | 121.7 Ų | 121.7 | 28% | 0.28 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -81.7 | -16.1 | 178.9 | -71.5 | 177.9 | 141.2 | 0 | 0 | 113.4 | Y260 P262 T263 T264 | Y260-E267 PolarHBondContact OH-OE1 2.96Å; Y260-E267 PolarHBondContact OH-OE2 2.86Å; P262-E267 WeakPolarHBondContact CA-OE2 3.3Å; P262-E267 WeakPolarHBondContact CB-OE2 3.41Å; T263-E267 PolarHBondContact N-OE2 2.78Å; T264-E267 PolarHBondContact O-N 2.9Å |
| 268 | Y | 38.5 | Very low | 45.7 | Very low | 200 Ų | 200 | 117.7 Ų | 117.7 | 78% | 0.784 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -80.7 | -17.8 | -176.1 | -125.5 | -86.9 | 0 | 0 | 0 | 113.9 | ||
| 269 | N | 37 | Very low | 43.6 | Very low | 152 Ų | 152 | 120.8 Ų | 120.8 | 81% | 0.813 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -108.6 | 2.1 | 179.7 | -75.4 | -23.8 | 0 | 0 | 0 | 113.6 | ||
| 270 | Q | 36 | Very low | 41.3 | Very low | 130 Ų | 130 | 114.6 Ų | 114.6 | 61% | 0.607 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -121.2 | 83.5 | 176.6 | -70.2 | -118.8 | 20 | 0 | 0 | 108.5 | A272 | Q270-A272 PolarHBondContact O-N 3.33Š|
| 271 | N | 26.3 | Very low | 39.2 | Very low | 144 Ų | 144 | 111.6 Ų | 111.6 | 77% | 0.77 | 61% | 0.611 | S | S | * | * | trans | -44.3 | 122.8 | 174 | -69.7 | -38.8 | 0 | 0 | 0 | 111.6 | L273 | N271-L273 VanDerWaalsContact C-N 3.29Å; N271-L273 PolarHBondContact O-N 2.78Å | ||
| 272 | A | 34.1 | Very low | 37.4 | Very low | 109 Ų | 109 | 110.1 Ų | 110.1 | 90% | 0.901 | 61% | 0.606 | S | S | * | * | S | Bend | trans | 62.9 | 6.5 | 141.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | Q270 | Q270-A272 PolarHBondContact O-N 3.33Š|
| 273 | L | 28.1 | Very low | 35.9 | Very low | 156 Ų | 156 | 113.4 Ų | 113.4 | 82% | 0.817 | 62% | 0.619 | S | S | * | * | trans | -134.2 | 20.2 | -170.4 | -98.8 | 159.1 | 0 | 0 | 0 | 116.3 | N271 | N271-L273 VanDerWaalsContact C-N 3.29Å; N271-L273 PolarHBondContact O-N 2.78Å | ||
| 274 | T | 32.3 | Very low | 34.5 | Very low | 51 Ų | 51 | 112.6 Ų | 112.6 | 31% | 0.313 | 61% | 0.612 | S | S | . | * | trans | -144.2 | 71.4 | 173.1 | 50.1 | 0 | 0 | 0 | 0 | 111.1 | E276 | T274-E276 HydrophobicContact CG2-CG 3.76Å; T274-E276 WeakPolarHBondContact CG2-OE1 3.13Å; T274-E276 PolarHBondContact O-N 2.89Å | ||
| 275 | T | 32 | Very low | 33.5 | Very low | 145 Ų | 145 | 112.9 Ų | 112.9 | 89% | 0.89 | 61% | 0.609 | S | S | * | * | trans | -57.8 | 70.2 | 133 | 27.6 | 0 | 0 | 0 | 0 | 107.6 | A277 | T275-A277 WeakPolarHBondContact O-CB 3.05Š| ||
| 276 | E | 34.3 | Very low | 33 | Very low | 112 Ų | 112 | 119.9 Ų | 119.9 | 52% | 0.523 | 62% | 0.621 | S | S | . | * | trans | -90.2 | 99.4 | 163 | -79.6 | -177.6 | -161.3 | 0 | 0 | 103.9 | T274 N278 | T274-E276 HydrophobicContact CG2-CG 3.76Å; T274-E276 WeakPolarHBondContact CG2-OE1 3.13Å; T274-E276 PolarHBondContact O-N 2.89Å; E276-N278 VanDerWaalsContact CA-N 3.3Å; E276-N278 PolarHBondContact O-N 3.12Å; E276-N278 PolarHBondContact OE2-ND2 2.87Å; E276-N278 PolarHBondContact OE2-OD1 3.32Å | ||
| 277 | A | 33.8 | Very low | 32.5 | Very low | 62 Ų | 62 | 114.8 Ų | 114.8 | 51% | 0.512 | 61% | 0.611 | S | S | . | * | cis | 31.6 | 41.8 | 39.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | T275 F279 | T275-A277 WeakPolarHBondContact O-CB 3.05Å; A277-F279 HydrophobicContact CB-CD2 3.42Å; A277-F279 VanDerWaalsContact CB-CD2 3.42Å; A277-F279 HydrophobicContact CB-CE2 3.5Å; A277-F279 VanDerWaalsContact CB-CE2 3.5Å; A277-F279 PolarHBondContact O-N 2.78Å | ||
| 278 | N | 32.5 | Very low | 32 | Very low | 94 Ų | 94 | 119.6 Ų | 119.6 | 50% | 0.503 | 64% | 0.637 | S | S | . | * | trans | -65.1 | 70 | 148.2 | -93.5 | -47.5 | 0 | 0 | 0 | 105.6 | E276 S280 | E276-N278 VanDerWaalsContact CA-N 3.3Å; E276-N278 PolarHBondContact O-N 3.12Å; E276-N278 PolarHBondContact OE2-ND2 2.87Å; E276-N278 PolarHBondContact OE2-OD1 3.32Å; N278-S280 PolarHBondContact O-N 2.72Å | ||
| 279 | F | 32.9 | Very low | 31.5 | Very low | 114 Ų | 114 | 117.1 Ų | 117.1 | 50% | 0.5 | 64% | 0.637 | S | S | . | * | trans | -58.7 | 58.2 | 145 | -72 | -74.5 | 0 | 0 | 0 | 107 | I152 A277 N281 V282 | I152-F279 HydrophobicContact CD1-CE1 4.35Å; I152-F279 HydrophobicContact CD1-CZ 4.16Å; I152-F279 HydrophobicContact CG1-CE1 4.47Å; I152-F279 HydrophobicContact CG1-CZ 4.26Å; I152-F279 HydrophobicContact CG2-CZ 4.41Å; A277-F279 HydrophobicContact CB-CD2 3.42Å; A277-F279 VanDerWaalsContact CB-CD2 3.42Å; A277-F279 HydrophobicContact CB-CE2 3.5Å; A277-F279 VanDerWaalsContact CB-CE2 3.5Å; A277-F279 PolarHBondContact O-N 2.78Å; F279-N281 VanDerWaalsContact C-N 3.25Å; F279-N281 PolarHBondContact O-N 3.4Å; F279-N281 VanDerWaalsContact O-N 3.12Å; F279-V282 HydrophobicContact CD1-CB 4.17Å; F279-V282 HydrophobicContact CD1-CG2 3.67Å; F279-V282 HydrophobicContact CE1-CG2 4.04Å | ||
| 280 | S | 29.4 | Very low | 31.3 | Very low | 79 Ų | 79 | 122.6 Ų | 122.6 | 55% | 0.552 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -77.9 | 92.5 | 157.4 | 59.2 | 0 | 0 | 0 | 0 | 104.8 | N278 | N278-S280 PolarHBondContact O-N 2.72Š|
| 281 | N | 31.7 | Very low | 31 | Very low | 108 Ų | 108 | 122.2 Ų | 122.2 | 58% | 0.578 | 66% | 0.656 | S | S | * | * | trans | 88.7 | 46.3 | 170.6 | -45.7 | -24.3 | 0 | 0 | 0 | 118 | F279 L283 | F279-N281 VanDerWaalsContact C-N 3.25Å; F279-N281 PolarHBondContact O-N 3.4Å; F279-N281 VanDerWaalsContact O-N 3.12Å; N281-L283 HydrophobicContact CB-CB 4.48Å; N281-L283 HydrophobicContact CB-CD1 4.28Å; N281-L283 PolarHBondContact O-N 3.33Å | ||
| 282 | V | 33.5 | Very low | 31.3 | Very low | 65 Ų | 65 | 121.1 Ų | 121.1 | 39% | 0.394 | 65% | 0.65 | S | S | . | * | -72.6 | 74.2 | 129.8 | 178.4 | 0 | 0 | 0 | 0 | 105.2 | F279 I284 | F279-V282 HydrophobicContact CD1-CB 4.17Å; F279-V282 HydrophobicContact CD1-CG2 3.67Å; F279-V282 HydrophobicContact CE1-CG2 4.04Å; V282-I284 HydrophobicContact CG1-CB 3.77Å; V282-I284 HydrophobicContact CG1-CD1 3.51Å; V282-I284 HydrophobicContact CG1-CG1 3.5Å; V282-I284 VanDerWaalsContact CG1-CG1 3.5Å; V282-I284 PolarHBondContact O-N 2.9Å | |||
| 283 | L | 30.5 | Very low | 31.1 | Very low | 140 Ų | 140 | 121.7 Ų | 121.7 | 73% | 0.733 | 64% | 0.636 | S | S | * | * | trans | -69.7 | 69.3 | 161.3 | -107.9 | 159.5 | 0 | 0 | 0 | 105.4 | N281 | N281-L283 HydrophobicContact CB-CB 4.48Å; N281-L283 HydrophobicContact CB-CD1 4.28Å; N281-L283 PolarHBondContact O-N 3.33Å | ||
| 284 | I | 29.2 | Very low | 31.3 | Very low | 37 Ų | 37 | 119.7 Ų | 119.7 | 19% | 0.19 | 63% | 0.625 | C | S | . | * | trans | -114.8 | 107.9 | 162.2 | -59.8 | 178.8 | 0 | 0 | 0 | 101.9 | N148 V282 | N148-I284 VanDerWaalsContact ND2-CD1 3.31Å; N148-I284 WeakPolarHBondContact ND2-CD1 3.12Å; V282-I284 HydrophobicContact CG1-CB 3.77Å; V282-I284 HydrophobicContact CG1-CD1 3.51Å; V282-I284 HydrophobicContact CG1-CG1 3.5Å; V282-I284 VanDerWaalsContact CG1-CG1 3.5Å; V282-I284 PolarHBondContact O-N 2.9Å | ||
| 285 | D | 28.3 | Very low | 31.2 | Very low | 125 Ų | 125 | 124 Ų | 124 | 67% | 0.668 | 65% | 0.645 | S | S | * | * | S | Bend | trans | 107.1 | 101.6 | 175.3 | -52.3 | -23.6 | 0 | 0 | 0 | 115.1 | V287 | D285-V287 VanDerWaalsContact C-N 3.3Å; D285-V287 PolarHBondContact O-N 3.18Å |
| 286 | Y | 29.8 | Very low | 31.2 | Very low | 226 Ų | 226 | 122.6 Ų | 122.6 | 89% | 0.886 | 63% | 0.629 | S | S | * | * | trans | -47.4 | 83.5 | 156.8 | -84.9 | -104.5 | 0 | 0 | 0 | 111.5 | ||||
| 287 | V | 30.6 | Very low | 31 | Very low | 101 Ų | 101 | 123.4 Ų | 123.4 | 61% | 0.612 | 64% | 0.636 | S | S | * | * | trans | -149.8 | 89.9 | 160.6 | -170.8 | 0 | 0 | 0 | 0 | 109.5 | D285 N289 | D285-V287 VanDerWaalsContact C-N 3.3Å; D285-V287 PolarHBondContact O-N 3.18Å; V287-N289 HydrophobicContact CG1-CB 3.94Å; V287-N289 PolarHBondContact O-N 2.88Å | ||
| 288 | I | 31 | Very low | 30.7 | Very low | 162 Ų | 162 | 128.1 Ų | 128.1 | 83% | 0.831 | 65% | 0.646 | S | S | * | * | trans | -75.7 | 102.9 | 151 | -65.1 | 173.3 | 0 | 0 | 0 | 105.1 | ||||
| 289 | N | 28.4 | Very low | 30.6 | Very low | 148 Ų | 148 | 130.9 Ų | 130.9 | 79% | 0.791 | 66% | 0.658 | S | S | * | * | trans | -98 | 78.2 | 165.3 | -108.7 | -6.9 | 0 | 0 | 0 | 108.4 | V287 | V287-N289 HydrophobicContact CG1-CB 3.94Å; V287-N289 PolarHBondContact O-N 2.88Å | ||
| 290 | K | 31.7 | Very low | 30.4 | Very low | 266 Ų | 266 | 132.5 Ų | 132.5 | 100% | 1.157 | 67% | 0.672 | S | S | * | * | trans | 159.4 | 0 | 141.7 | -93.9 | -173.9 | 175.9 | -177.6 | 0 | 110.4 |
Retrieved 290 of 290 residues in 278 ms
(Link to these results)