| 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 | 41.6 | Very low | 39.9 | Very low | 225 Ų | 225 | 149.5 Ų | 149.5 | 100% | 1.108 | 76% | 0.762 | S | S | * | * | 0 | -12.5 | 0 | -134.7 | 165.3 | 62 | 0 | 0 | 112.6 | T3 | M1-T3 PolarHBondContact O-N 3.05Š| |||
| 2 | E | 43.5 | Very low | 40.1 | Very low | 170 Ų | 170 | 152.5 Ų | 152.5 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | 0.4 | -179.7 | -80.5 | 177 | 137.7 | 0 | 0 | 116.6 | ||
| 3 | T | 43.9 | Very low | 40.2 | Very low | 126 Ų | 126 | 145.8 Ų | 145.8 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -12.7 | -178.9 | 44.9 | 0 | 0 | 0 | 0 | 113.9 | M1 | M1-T3 PolarHBondContact O-N 3.05Š|
| 4 | C | 41.2 | Very low | 40.7 | Very low | 95 Ų | 95 | 141.9 Ų | 141.9 | 64% | 0.642 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -87.1 | -28 | -176.9 | -143 | 0 | 0 | 0 | 0 | 113.7 | K6 | C4-K6 VanDerWaalsContact C-N 3.35Å; C4-K6 PolarHBondContact O-N 2.79Å |
| 5 | E | 40.4 | Very low | 41.6 | Very low | 153 Ų | 153 | 145.1 Ų | 145.1 | 72% | 0.715 | 75% | 0.748 | S | S | * | * | H | α-helix | trans | -76.8 | -19.5 | -177.3 | -69.4 | -176.4 | 164.6 | 0 | 0 | 113.5 | ||
| 6 | K | 38.5 | Very low | 42.5 | Very low | 179 Ų | 179 | 137 Ų | 137 | 78% | 0.778 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -80.8 | -17 | 178.7 | -73.4 | -171.2 | 178.8 | 179.2 | 0 | 114.1 | C4 | C4-K6 VanDerWaalsContact C-N 3.35Å; C4-K6 PolarHBondContact O-N 2.79Å |
| 7 | E | 37.1 | Very low | 43.4 | Very low | 150 Ų | 150 | 138.8 Ų | 138.8 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -82.1 | -23.2 | 175.8 | -76.6 | -171.6 | 153 | 0 | 0 | 113.1 | ||
| 8 | E | 33.8 | Very low | 44.1 | Very low | 157 Ų | 157 | 139.4 Ų | 139.4 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -77.8 | -26.6 | 176 | -82.6 | -176.8 | 147.7 | 0 | 0 | 113.1 | S10 R11 | E8-S10 VanDerWaalsContact C-N 3.32Å; E8-S10 PolarHBondContact O-N 3.37Å; E8-R11 PolarHBondContact O-N 2.64Å |
| 9 | A | 38.7 | Very low | 45.1 | Very low | 76 Ų | 76 | 135.4 Ų | 135.4 | 63% | 0.628 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -16.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 10 | S | 40.3 | Very low | 46 | Very low | 99 Ų | 99 | 130 Ų | 130 | 69% | 0.692 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -16.5 | 176 | 73 | 0 | 0 | 0 | 0 | 113.2 | E8 K12 | E8-S10 VanDerWaalsContact C-N 3.32Å; E8-S10 PolarHBondContact O-N 3.37Å; S10-K12 PolarHBondContact O-N 2.74Å |
| 11 | R | 39.7 | Very low | 46.9 | Very low | 215 Ų | 215 | 130.3 Ų | 130.3 | 81% | 0.811 | 68% | 0.682 | S | S | * | * | trans | -84.3 | 52.6 | 170.9 | -64.1 | -172.8 | -172.7 | -177.8 | 3.6 | 111.3 | E8 G13 | E8-R11 PolarHBondContact O-N 2.64Å; R11-G13 PolarHBondContact O-N 3.12Å | ||
| 12 | K | 42.8 | Very low | 48.2 | Very low | 185 Ų | 185 | 129.2 Ų | 129.2 | 80% | 0.804 | 67% | 0.666 | S | S | * | * | trans | -63.1 | 85.3 | 156.3 | -85.9 | -172 | 177.8 | -179.7 | 0 | 106.8 | S10 L14 | S10-K12 PolarHBondContact O-N 2.74Å; K12-L14 PolarHBondContact O-N 2.94Å | ||
| 13 | G | 41.7 | Very low | 49.6 | Very low | 66 Ų | 66 | 122.8 Ų | 122.8 | 68% | 0.68 | 64% | 0.635 | S | S | * | * | trans | -56.2 | 108.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | R11 E15 | R11-G13 PolarHBondContact O-N 3.12Å; G13-E15 PolarHBondContact O-N 3.29Å | ||
| 14 | L | 47.3 | Very low | 51.2 | Low | 90 Ų | 90 | 118 Ų | 118 | 47% | 0.471 | 61% | 0.606 | S | S | . | * | trans | -69.7 | 115.5 | 151.5 | -73.4 | 170 | 0 | 0 | 0 | 104.1 | K12 V16 R266 L270 | K12-L14 PolarHBondContact O-N 2.94Å; L14-V16 PolarHBondContact O-N 3.03Å; L14-R266 VanDerWaalsContact CD1-CZ 3.44Å; L14-L270 HydrophobicContact CD1-CD1 3.4Å | ||
| 15 | E | 53.3 | Low | 53 | Low | 191 Ų | 191 | 119.7 Ų | 119.7 | 89% | 0.893 | 60% | 0.603 | S | S | * | * | trans | -60.7 | 93.9 | 171 | -70.3 | -176.2 | 166.6 | 0 | 0 | 107.3 | G13 E17 | G13-E15 PolarHBondContact O-N 3.29Å; E15-E17 PolarHBondContact O-N 2.89Å | ||
| 16 | V | 56.1 | Low | 54.9 | Low | 15 Ų | 15 | 118.5 Ų | 118.5 | 9% | 0.091 | 60% | 0.596 | C | S | . | * | trans | -66.5 | 112.3 | 158.5 | 178.8 | 0 | 0 | 0 | 0 | 104.2 | L14 N18 P19 R41 L44 A45 L270 | L14-V16 PolarHBondContact O-N 3.03Å; V16-N18 PolarHBondContact O-N 3.41Å; V16-N18 VanDerWaalsContact O-N 3.17Å; V16-P19 HydrophobicContact CB-CB 4.36Å; V16-P19 HydrophobicContact CG1-CB 4.5Å; V16-P19 WeakPolarHBondContact O-CD 3.3Å; V16-R41 HydrophobicContact CG1-CB 3.91Å; V16-R41 HydrophobicContact CG1-CG 3.88Å; V16-L44 HydrophobicContact CG2-CB 4.22Å; V16-A45 HydrophobicContact CG2-CB 4.28Å; V16-L270 HydrophobicContact CG2-CD2 4.26Å | ||
| 17 | E | 57.3 | Low | 56.5 | Low | 168 Ų | 168 | 113.4 Ų | 113.4 | 79% | 0.785 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -53.1 | 125.4 | 175.2 | -75 | -175.3 | 173.2 | 0 | 0 | 109.6 | E15 | E15-E17 PolarHBondContact O-N 2.89Š|
| 18 | N | 57 | Low | 58.4 | Low | 149 Ų | 149 | 111.9 Ų | 111.9 | 80% | 0.797 | 57% | 0.574 | S | S | * | * | S | Bend | trans | 51.8 | 63 | -179.7 | -59.3 | -51 | 0 | 0 | 0 | 114.3 | V16 | V16-N18 PolarHBondContact O-N 3.41Å; V16-N18 VanDerWaalsContact O-N 3.17Å |
| 19 | P | 62.4 | Low | 60.9 | Low | 64 Ų | 64 | 107.4 Ų | 107.4 | 42% | 0.416 | 55% | 0.553 | S | S | . | * | trans | -70.1 | 131.5 | 177.2 | 29.3 | -24.4 | 0 | 0 | 0 | 108.9 | V16 T21 A45 | V16-P19 HydrophobicContact CB-CB 4.36Å; V16-P19 HydrophobicContact CG1-CB 4.5Å; V16-P19 WeakPolarHBondContact O-CD 3.3Å; P19-T21 PolarHBondContact O-N 3.17Å; P19-A45 HydrophobicContact CB-CB 3.78Å | ||
| 20 | P | 62.8 | Low | 63.4 | Low | 26 Ų | 26 | 104.2 Ų | 104.2 | 17% | 0.169 | 53% | 0.525 | C | S | . | . | trans | -64 | 131.7 | 175.2 | 21.7 | -27.5 | 0 | 0 | 0 | 109.7 | R22 Y42 | P20-R22 PolarHBondContact O-N 3.18Å; P20-Y42 HydrophobicContact CG-CD2 4.1Å | ||
| 21 | T | 64.7 | Low | 66.1 | Low | 137 Ų | 137 | 103.1 Ų | 103.1 | 84% | 0.84 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -69 | -23 | 179.7 | 51.8 | 0 | 0 | 0 | 0 | 113 | P19 | P19-T21 PolarHBondContact O-N 3.17Š|
| 22 | R | 70.1 | Confident | 68.8 | Low | 203 Ų | 203 | 93.6 Ų | 93.6 | 77% | 0.766 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -145.9 | 145.7 | 171.7 | -65.7 | -174.5 | 179.3 | -178.6 | -0.4 | 109 | P20 S24 | P20-R22 PolarHBondContact O-N 3.18Å; R22-S24 PolarHBondContact O-N 2.92Å |
| 23 | F | 72.5 | Confident | 71.4 | Confident | 35 Ų | 35 | 85 Ų | 85 | 15% | 0.154 | 44% | 0.44 | C | S | . | . | trans | -66.5 | 119.9 | 165.6 | -166.7 | -103.6 | 0 | 0 | 0 | 108.3 | F25 I30 L39 Y42 P64 | F23-F25 HydrophobicContact CD1-CE1 4.5Å; F23-F25 HydrophobicContact CE1-CE1 4.36Å; F23-I30 HydrophobicContact CE1-CG2 3.9Å; F23-I30 HydrophobicContact CZ-CG2 3.8Å; F23-L39 HydrophobicContact CD2-CD1 4Å; F23-L39 HydrophobicContact CE2-CB 3.8Å; F23-L39 HydrophobicContact CE2-CD1 3.67Å; F23-L39 HydrophobicContact CE2-CG 4.27Å; F23-L39 HydrophobicContact CZ-CB 4.35Å; F23-L39 HydrophobicContact CZ-CD1 4.12Å; F23-Y42 HydrophobicContact CB-CD1 3.97Å; F23-Y42 HydrophobicContact CB-CD2 4.35Å; F23-Y42 HydrophobicContact CB-CE1 3.87Å; F23-Y42 HydrophobicContact CB-CE2 4.27Å; F23-Y42 HydrophobicContact CB-CG 4.2Å; F23-Y42 HydrophobicContact CD2-CD1 4.32Å; F23-Y42 HydrophobicContact CD2-CG 4.3Å; F23-Y42 VanDerWaalsContact N-CE2 3.33Å; F23-P64 HydrophobicContact CE1-CB 4.05Å; F23-P64 HydrophobicContact CZ-CB 4.27Å | ||
| 24 | S | 77 | Confident | 74 | Confident | 24 Ų | 24 | 86 Ų | 86 | 17% | 0.168 | 43% | 0.43 | C | S | . | . | trans | -100 | 145.7 | 179.9 | -171.8 | 0 | 0 | 0 | 0 | 110.1 | R22 F26 H29 I30 | R22-S24 PolarHBondContact O-N 2.92Å; S24-F26 VanDerWaalsContact C-N 3.29Å; S24-F26 WeakPolarHBondContact OG-CD2 3.46Å; S24-F26 WeakPolarHBondContact OG-CG 3.35Å; S24-F26 PolarHBondContact OG-N 3.46Å; S24-F26 VanDerWaalsContact OG-N 3.08Å; S24-H29 VanDerWaalsContact CB-ND1 3.27Å; S24-H29 WeakPolarHBondContact CB-ND1 3.45Å; S24-I30 VanDerWaalsContact O-CG2 3.31Å; S24-I30 WeakPolarHBondContact O-CG2 3.42Å | ||
| 25 | F | 78.6 | Confident | 76.3 | Confident | 131 Ų | 131 | 81.8 Ų | 81.8 | 58% | 0.575 | 41% | 0.407 | S | S | * | . | trans | -91.5 | 8.9 | 169.3 | -62.9 | -79.7 | 0 | 0 | 0 | 112.6 | F23 | F23-F25 HydrophobicContact CD1-CE1 4.5Å; F23-F25 HydrophobicContact CE1-CE1 4.36Å | ||
| 26 | F | 80.7 | Confident | 78.4 | Confident | 129 Ų | 129 | 72.7 Ų | 72.7 | 57% | 0.566 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -62.5 | 141.8 | 170.8 | -66.7 | -54.2 | 0 | 0 | 0 | 110.4 | S24 E28 H29 | S24-F26 VanDerWaalsContact C-N 3.29Å; S24-F26 WeakPolarHBondContact OG-CD2 3.46Å; S24-F26 WeakPolarHBondContact OG-CG 3.35Å; S24-F26 PolarHBondContact OG-N 3.46Å; S24-F26 VanDerWaalsContact OG-N 3.08Å; F26-E28 HydrophobicContact CB-CG 4.17Å; F26-E28 WeakPolarHBondContact CB-OE1 3.37Å; F26-E28 WeakPolarHBondContact CB-OE2 3.23Å; F26-E28 PolarHBondContact O-N 2.89Å; F26-E28 VanDerWaalsContact O-N 3.14Å; F26-H29 PolarHBondContact O-N 2.84Å |
| 27 | P | 72.5 | Confident | 80.3 | Confident | 72 Ų | 72 | 72 Ų | 72 | 47% | 0.468 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -50.9 | -41.2 | -174.3 | -30.6 | 36.6 | 0 | 0 | 0 | 114.4 | H29 I30 F31 | P27-H29 PolarHBondContact O-N 3.4Å; P27-I30 PolarHBondContact O-N 3.44Å; P27-F31 HydrophobicContact CB-CD2 3.71Å; P27-F31 HydrophobicContact CB-CE2 3.82Å; P27-F31 HydrophobicContact CG-CE2 4.41Å; P27-F31 WeakPolarHBondContact O-CB 3.3Å; P27-F31 WeakPolarHBondContact O-CD2 3.44Å; P27-F31 PolarHBondContact O-N 3.48Å |
| 28 | E | 76.5 | Confident | 82.2 | Confident | 118 Ų | 118 | 65.4 Ų | 65.4 | 55% | 0.551 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -57.4 | -20 | 177.6 | 59 | -92.9 | -154.5 | 0 | 0 | 114.3 | F26 N38 | F26-E28 HydrophobicContact CB-CG 4.17Å; F26-E28 WeakPolarHBondContact CB-OE1 3.37Å; F26-E28 WeakPolarHBondContact CB-OE2 3.23Å; F26-E28 PolarHBondContact O-N 2.89Å; F26-E28 VanDerWaalsContact O-N 3.14Å; E28-N38 PolarHBondContact O-ND2 3.01Å |
| 29 | H | 86.4 | Confident | 84 | Confident | 62 Ų | 62 | 58.3 Ų | 58.3 | 29% | 0.287 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -104.4 | -12.5 | -176.1 | -70.4 | -162 | 0 | 0 | 0 | 114 | S24 F26 P27 G35 | S24-H29 VanDerWaalsContact CB-ND1 3.27Å; S24-H29 WeakPolarHBondContact CB-ND1 3.45Å; F26-H29 PolarHBondContact O-N 2.84Å; P27-H29 PolarHBondContact O-N 3.4Å; H29-G35 VanDerWaalsContact O-CA 3.24Å; H29-G35 WeakPolarHBondContact O-CA 3.07Å |
| 30 | I | 92.6 | Very high | 85.6 | Confident | 9 Ų | 9 | 55.3 Ų | 55.3 | 5% | 0.046 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -125.2 | -12.2 | -174.6 | 66.8 | 173 | 0 | 0 | 0 | 114.3 | F23 S24 P27 L66 R67 | F23-I30 HydrophobicContact CE1-CG2 3.9Å; F23-I30 HydrophobicContact CZ-CG2 3.8Å; S24-I30 VanDerWaalsContact O-CG2 3.31Å; S24-I30 WeakPolarHBondContact O-CG2 3.42Å; P27-I30 PolarHBondContact O-N 3.44Å; I30-L66 WeakPolarHBondContact O-CA 3.25Å; I30-R67 HydrophobicContact CD1-CG 4.12Å; I30-R67 HydrophobicContact CG1-CG 4.48Å; I30-R67 PolarHBondContact O-N 3.03Å |
| 31 | F | 95.5 | Very high | 87.2 | Confident | 76 Ų | 76 | 56.4 Ų | 56.4 | 33% | 0.333 | 27% | 0.274 | S | S | . | . | B | Isolated β-bridge | trans | -89.4 | 140.2 | -178.8 | -85.1 | -94.1 | 0 | 0 | 0 | 113.8 | P27 G35 R67 | P27-F31 HydrophobicContact CB-CD2 3.71Å; P27-F31 HydrophobicContact CB-CE2 3.82Å; P27-F31 HydrophobicContact CG-CE2 4.41Å; P27-F31 WeakPolarHBondContact O-CB 3.3Å; P27-F31 WeakPolarHBondContact O-CD2 3.44Å; P27-F31 PolarHBondContact O-N 3.48Å; F31-G35 PolarHBondContact O-N 2.88Å; F31-R67 CarbonylContact C-O 3.6Å; F31-R67 VanDerWaalsContact CA-O 3.29Å; F31-R67 WeakPolarHBondContact CA-O 3.47Å; F31-R67 HydrophobicContact CD1-CB 3.73Å; F31-R67 HydrophobicContact CD2-CB 4.21Å; F31-R67 HydrophobicContact CE1-CB 3.63Å; F31-R67 HydrophobicContact CE2-CB 4.15Å; F31-R67 HydrophobicContact CE2-CG 4.45Å; F31-R67 HydrophobicContact CG-CB 4.05Å; F31-R67 HydrophobicContact CZ-CB 3.87Å; F31-R67 HydrophobicContact CZ-CG 4.36Å |
| 32 | G | 96.9 | Very high | 88.6 | Confident | 15 Ų | 15 | 52.2 Ų | 52.2 | 16% | 0.155 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | 61.8 | -159.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | N34 G35 Y36 R67 F68 | G32-N34 VanDerWaalsContact C-N 3.29Å; G32-N34 PolarHBondContact O-N 2.85Å; G32-G35 PolarHBondContact O-N 2.82Å; G32-Y36 PolarHBondContact O-N 3.36Å; G32-R67 PolarHBondContact N-O 2.75Å; G32-F68 WeakPolarHBondContact O-CE1 3.45Å |
| 33 | E | 97.7 | Very high | 89.8 | Confident | 6 Ų | 6 | 42.6 Ų | 42.6 | 3% | 0.028 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.3 | -32.4 | 179.8 | -173.6 | 160 | -162.2 | 0 | 0 | 112.4 | G35 Y36 L37 L78 T79 T80 P277 F280 | E33-G35 VanDerWaalsContact C-N 3.32Å; E33-G35 PolarHBondContact O-N 2.73Å; E33-Y36 WeakPolarHBondContact O-CB 3.25Å; E33-Y36 PolarHBondContact O-N 2.99Å; E33-L37 HydrophobicContact CG-CG 4.41Å; E33-L37 WeakPolarHBondContact O-CG 3.29Å; E33-L37 PolarHBondContact O-N 3.43Å; E33-L78 HydrophobicContact CB-CD2 4.36Å; E33-L78 HydrophobicContact CG-CD2 3.99Å; E33-L78 WeakPolarHBondContact OE1-CB 3.38Å; E33-T79 VanDerWaalsContact CD-N 3.29Å; E33-T79 PolarHBondContact OE1-N 2.89Å; E33-T79 WeakPolarHBondContact OE2-CB 3.4Å; E33-T79 PolarHBondContact OE2-N 3.23Å; E33-T79 PolarHBondContact OE2-OG1 2.82Å; E33-T80 HydrophobicContact CG-CG2 4.43Å; E33-T80 VanDerWaalsContact OE1-CB 3.26Å; E33-T80 WeakPolarHBondContact OE1-CB 3.37Å; E33-T80 WeakPolarHBondContact OE1-CG2 3.01Å; E33-T80 PolarHBondContact OE1-N 2.82Å; E33-T80 PolarHBondContact OE1-OG1 3.09Å; E33-P277 HydrophobicContact CB-CB 4.02Å; E33-P277 HydrophobicContact CB-CG 4.11Å; E33-P277 HydrophobicContact CG-CB 3.98Å; E33-P277 HydrophobicContact CG-CG 3.82Å; E33-F280 HydrophobicContact CB-CE1 3.84Å; E33-F280 HydrophobicContact CB-CE2 4.5Å; E33-F280 HydrophobicContact CB-CZ 3.59Å |
| 34 | N | 95.7 | Very high | 90.8 | Very high | 87 Ų | 87 | 42 Ų | 42 | 47% | 0.465 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.6 | -41.7 | 173.9 | -78.4 | -44.9 | 0 | 0 | 0 | 111.8 | G32 Y36 L37 N38 P277 | G32-N34 VanDerWaalsContact C-N 3.29Å; G32-N34 PolarHBondContact O-N 2.85Å; N34-Y36 PolarHBondContact O-N 2.81Å; N34-L37 PolarHBondContact O-N 2.93Å; N34-N38 WeakPolarHBondContact O-CB 3.36Å; N34-N38 PolarHBondContact O-N 3.3Å; N34-N38 PolarHBondContact O-ND2 3.01Å; N34-P277 WeakPolarHBondContact OD1-CG 3.25Å |
| 35 | G | 96.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.1 | -43.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | H29 F31 G32 E33 N38 L39 | H29-G35 VanDerWaalsContact O-CA 3.24Å; H29-G35 WeakPolarHBondContact O-CA 3.07Å; F31-G35 PolarHBondContact O-N 2.88Å; G32-G35 PolarHBondContact O-N 2.82Å; E33-G35 VanDerWaalsContact C-N 3.32Å; E33-G35 PolarHBondContact O-N 2.73Å; G35-N38 PolarHBondContact O-N 3.22Å; G35-L39 PolarHBondContact O-N 2.84Å |
| 36 | Y | 97.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.8 | -45.9 | 173.4 | 165.7 | -93.5 | 0 | 0 | 0 | 112.3 | G32 E33 N34 N38 L39 L40 L66 L78 M223 V227 P228 I231 | G32-Y36 PolarHBondContact O-N 3.36Å; E33-Y36 WeakPolarHBondContact O-CB 3.25Å; E33-Y36 PolarHBondContact O-N 2.99Å; N34-Y36 PolarHBondContact O-N 2.81Å; Y36-N38 VanDerWaalsContact C-N 3.34Å; Y36-N38 PolarHBondContact O-N 3.21Å; Y36-L39 PolarHBondContact O-N 2.84Å; Y36-L40 HydrophobicContact CD1-CD1 4.26Å; Y36-L40 HydrophobicContact CE1-CD1 3.45Å; Y36-L40 VanDerWaalsContact CE1-CD1 3.45Å; Y36-L40 HydrophobicContact CE1-CG 4.08Å; Y36-L40 HydrophobicContact CE2-CD1 4.48Å; Y36-L40 HydrophobicContact CE2-CG 4.38Å; Y36-L40 PolarHBondContact O-N 3.05Å; Y36-L66 HydrophobicContact CD2-CD1 4.26Å; Y36-L78 HydrophobicContact CD1-CD1 3.76Å; Y36-L78 HydrophobicContact CD1-CD2 4.42Å; Y36-L78 HydrophobicContact CE1-CD1 3.45Å; Y36-L78 VanDerWaalsContact CE1-CD1 3.45Å; Y36-L78 HydrophobicContact CE2-CD1 4.27Å; Y36-L78 HydrophobicContact CG-CD1 4.29Å; Y36-M223 HydrophobicContact CD2-CE 3.7Å; Y36-M223 HydrophobicContact CE2-CE 3.65Å; Y36-M223 WeakPolarHBondContact CE2-O 3.39Å; Y36-M223 PolarHBondContact OH-O 3.12Å; Y36-V227 HydrophobicContact CD2-CG1 4.29Å; Y36-V227 HydrophobicContact CE2-CG1 4.24Å; Y36-P228 HydrophobicContact CE2-CG 3.93Å; Y36-P228 WeakPolarHBondContact OH-CG 3.31Å; Y36-I231 HydrophobicContact CD2-CD1 4.38Å |
| 37 | L | 96.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66 | -36.1 | 177.6 | -66.2 | -179.8 | 0 | 0 | 0 | 112.4 | E33 N34 L39 L40 R41 T80 Q272 V273 P277 | E33-L37 HydrophobicContact CG-CG 4.41Å; E33-L37 WeakPolarHBondContact O-CG 3.29Å; E33-L37 PolarHBondContact O-N 3.43Å; N34-L37 PolarHBondContact O-N 2.93Å; L37-L39 VanDerWaalsContact C-N 3.33Å; L37-L40 HydrophobicContact CD2-CD1 4.23Å; L37-L40 WeakPolarHBondContact O-CB 3.44Å; L37-L40 PolarHBondContact O-N 2.88Å; L37-R41 WeakPolarHBondContact O-CG 3.19Å; L37-R41 PolarHBondContact O-N 2.99Å; L37-T80 HydrophobicContact CD1-CG2 3.83Å; L37-T80 HydrophobicContact CD2-CG2 4.29Å; L37-Q272 HydrophobicContact CD2-CG 4.29Å; L37-V273 HydrophobicContact CD2-CG1 4.45Å; L37-P277 HydrophobicContact CD1-CG 3.55Å |
| 38 | N | 95.4 | Very high | 93.9 | Very high | 31 Ų | 31 | 36.5 Ų | 36.5 | 17% | 0.166 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.5 | -40.2 | 175.4 | -72.3 | -20.8 | 0 | 0 | 0 | 111.3 | E28 N34 G35 Y36 R41 Y42 | E28-N38 PolarHBondContact O-ND2 3.01Å; N34-N38 WeakPolarHBondContact O-CB 3.36Å; N34-N38 PolarHBondContact O-N 3.3Å; N34-N38 PolarHBondContact O-ND2 3.01Å; G35-N38 PolarHBondContact O-N 3.22Å; Y36-N38 VanDerWaalsContact C-N 3.34Å; Y36-N38 PolarHBondContact O-N 3.21Å; N38-R41 PolarHBondContact O-N 2.76Å; N38-R41 PolarHBondContact OD1-NH1 3.05Å; N38-Y42 WeakPolarHBondContact O-CB 3.19Å; N38-Y42 PolarHBondContact O-N 3.31Å |
| 39 | L | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.9 | -42.4 | 172.6 | -178.1 | 55.6 | 0 | 0 | 0 | 111.8 | F23 G35 Y36 L37 Y42 I43 V61 P64 L66 M223 | F23-L39 HydrophobicContact CD2-CD1 4Å; F23-L39 HydrophobicContact CE2-CB 3.8Å; F23-L39 HydrophobicContact CE2-CD1 3.67Å; F23-L39 HydrophobicContact CE2-CG 4.27Å; F23-L39 HydrophobicContact CZ-CB 4.35Å; F23-L39 HydrophobicContact CZ-CD1 4.12Å; G35-L39 PolarHBondContact O-N 2.84Å; Y36-L39 PolarHBondContact O-N 2.84Å; L37-L39 VanDerWaalsContact C-N 3.33Å; L39-Y42 PolarHBondContact O-N 3.28Å; L39-I43 HydrophobicContact CD1-CD1 3.96Å; L39-I43 HydrophobicContact CD1-CG1 4.16Å; L39-I43 HydrophobicContact CG-CD1 3.96Å; L39-I43 WeakPolarHBondContact O-CG1 3.29Å; L39-I43 PolarHBondContact O-N 2.66Å; L39-V61 HydrophobicContact CD1-CG2 3.93Å; L39-P64 HydrophobicContact CD1-CB 3.7Å; L39-P64 HydrophobicContact CD1-CG 3.98Å; L39-P64 HydrophobicContact CD2-CB 3.81Å; L39-P64 HydrophobicContact CD2-CG 3.82Å; L39-P64 HydrophobicContact CG-CB 4.44Å; L39-L66 HydrophobicContact CB-CD2 4.29Å; L39-L66 HydrophobicContact CD2-CD1 4.25Å; L39-L66 HydrophobicContact CD2-CD2 4.09Å; L39-L66 HydrophobicContact CD2-CG 4.21Å; L39-M223 HydrophobicContact CB-CE 4.44Å; L39-M223 HydrophobicContact CD2-CE 3.56Å; L39-M223 HydrophobicContact CD2-SD 4.08Å; L39-M223 HydrophobicContact CG-CE 3.93Å |
| 40 | L | 96.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.4 | -49.8 | 173 | -77.6 | -176.3 | 0 | 0 | 0 | 112.1 | Y36 L37 Y42 I43 L44 M223 I261 L269 V273 | Y36-L40 HydrophobicContact CD1-CD1 4.26Å; Y36-L40 HydrophobicContact CE1-CD1 3.45Å; Y36-L40 VanDerWaalsContact CE1-CD1 3.45Å; Y36-L40 HydrophobicContact CE1-CG 4.08Å; Y36-L40 HydrophobicContact CE2-CD1 4.48Å; Y36-L40 HydrophobicContact CE2-CG 4.38Å; Y36-L40 PolarHBondContact O-N 3.05Å; L37-L40 HydrophobicContact CD2-CD1 4.23Å; L37-L40 WeakPolarHBondContact O-CB 3.44Å; L37-L40 PolarHBondContact O-N 2.88Å; L40-Y42 VanDerWaalsContact C-N 3.27Å; L40-Y42 PolarHBondContact O-N 3.41Å; L40-I43 PolarHBondContact O-N 2.74Å; L40-L44 WeakPolarHBondContact O-CB 3.39Å; L40-L44 VanDerWaalsContact O-CG 3.27Å; L40-L44 WeakPolarHBondContact O-CG 3.45Å; L40-L44 PolarHBondContact O-N 3.28Å; L40-M223 HydrophobicContact CD2-CB 3.63Å; L40-I261 HydrophobicContact CD2-CD1 3.79Å; L40-I261 HydrophobicContact CD2-CG1 4.15Å; L40-L269 HydrophobicContact CD1-CD2 4.21Å; L40-L269 HydrophobicContact CD2-CD1 4.03Å; L40-L269 HydrophobicContact CD2-CD2 4.47Å; L40-V273 HydrophobicContact CB-CG1 3.64Å; L40-V273 HydrophobicContact CD1-CG1 4.01Å |
| 41 | R | 95.3 | Very high | 94.5 | Very high | 49 Ų | 49 | 51.9 Ų | 51.9 | 19% | 0.185 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.4 | -42.5 | 177.2 | -72.1 | -177.7 | -166.6 | 107.3 | 2.4 | 111.2 | V16 L37 N38 L44 A45 V273 | V16-R41 HydrophobicContact CG1-CB 3.91Å; V16-R41 HydrophobicContact CG1-CG 3.88Å; L37-R41 WeakPolarHBondContact O-CG 3.19Å; L37-R41 PolarHBondContact O-N 2.99Å; N38-R41 PolarHBondContact O-N 2.76Å; N38-R41 PolarHBondContact OD1-NH1 3.05Å; R41-L44 PolarHBondContact O-N 2.87Å; R41-A45 WeakPolarHBondContact O-CB 3.32Å; R41-A45 PolarHBondContact O-N 2.79Å; R41-V273 HydrophobicContact CG-CB 3.86Å; R41-V273 HydrophobicContact CG-CG1 3.93Å; R41-V273 HydrophobicContact CG-CG2 4.3Å; R41-V273 PolarHBondContact NH2-O 3.1Å |
| 42 | Y | 94.5 | Very high | 93.8 | Very high | 50 Ų | 50 | 50 Ų | 50 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.2 | -45.8 | 178.2 | -174.3 | -104.7 | 0 | 0 | 0 | 112.3 | P20 F23 N38 L39 L40 A45 N46 V61 | P20-Y42 HydrophobicContact CG-CD2 4.1Å; F23-Y42 HydrophobicContact CB-CD1 3.97Å; F23-Y42 HydrophobicContact CB-CD2 4.35Å; F23-Y42 HydrophobicContact CB-CE1 3.87Å; F23-Y42 HydrophobicContact CB-CE2 4.27Å; F23-Y42 HydrophobicContact CB-CG 4.2Å; F23-Y42 HydrophobicContact CD2-CD1 4.32Å; F23-Y42 HydrophobicContact CD2-CG 4.3Å; F23-Y42 VanDerWaalsContact N-CE2 3.33Å; N38-Y42 WeakPolarHBondContact O-CB 3.19Å; N38-Y42 PolarHBondContact O-N 3.31Å; L39-Y42 PolarHBondContact O-N 3.28Å; L40-Y42 VanDerWaalsContact C-N 3.27Å; L40-Y42 PolarHBondContact O-N 3.41Å; Y42-A45 PolarHBondContact O-N 2.9Å; Y42-N46 HydrophobicContact CD2-CB 4.42Å; Y42-N46 HydrophobicContact CE2-CB 4.1Å; Y42-N46 WeakPolarHBondContact O-CA 3.42Å; Y42-N46 WeakPolarHBondContact O-CB 3.29Å; Y42-N46 PolarHBondContact O-N 3.41Å; Y42-V61 HydrophobicContact CD1-CG1 3.85Å; Y42-V61 HydrophobicContact CE1-CB 4.42Å; Y42-V61 HydrophobicContact CE1-CG1 3.66Å |
| 43 | I | 95.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.7 | -41.9 | 177.2 | -65.1 | 165.6 | 0 | 0 | 0 | 111.1 | L39 L40 A45 G47 F59 V61 M223 A259 I261 | L39-I43 HydrophobicContact CD1-CD1 3.96Å; L39-I43 HydrophobicContact CD1-CG1 4.16Å; L39-I43 HydrophobicContact CG-CD1 3.96Å; L39-I43 WeakPolarHBondContact O-CG1 3.29Å; L39-I43 PolarHBondContact O-N 2.66Å; L40-I43 PolarHBondContact O-N 2.74Å; I43-A45 VanDerWaalsContact C-N 3.27Å; I43-A45 PolarHBondContact O-N 3.26Å; I43-G47 WeakPolarHBondContact O-CA 3.39Å; I43-G47 PolarHBondContact O-N 2.83Å; I43-F59 HydrophobicContact CG2-CB 4.26Å; I43-F59 WeakPolarHBondContact CG2-O 3.34Å; I43-V61 HydrophobicContact CD1-CG2 4.02Å; I43-V61 HydrophobicContact CG1-CB 4.4Å; I43-V61 HydrophobicContact CG1-CG1 3.97Å; I43-V61 HydrophobicContact CG1-CG2 3.67Å; I43-M223 HydrophobicContact CD1-CG 3.71Å; I43-A259 HydrophobicContact CD1-CB 4.22Å; I43-I261 HydrophobicContact CB-CD1 3.97Å; I43-I261 HydrophobicContact CG2-CB 4.28Å; I43-I261 HydrophobicContact CG2-CD1 3.66Å; I43-I261 HydrophobicContact CG2-CG1 3.87Å |
| 44 | L | 95.1 | Very high | 91.7 | Very high | 22 Ų | 22 | 57.2 Ų | 57.2 | 12% | 0.115 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.3 | -33.1 | 178.7 | -73.6 | 166.8 | 0 | 0 | 0 | 112.8 | V16 L40 R41 I261 R266 L269 L270 V273 | V16-L44 HydrophobicContact CG2-CB 4.22Å; L40-L44 WeakPolarHBondContact O-CB 3.39Å; L40-L44 VanDerWaalsContact O-CG 3.27Å; L40-L44 WeakPolarHBondContact O-CG 3.45Å; L40-L44 PolarHBondContact O-N 3.28Å; R41-L44 PolarHBondContact O-N 2.87Å; L44-I261 HydrophobicContact CD2-CD1 3.8Å; L44-I261 HydrophobicContact CG-CD1 3.71Å; L44-R266 HydrophobicContact CD2-CG 4.02Å; L44-L269 HydrophobicContact CD1-CB 4.37Å; L44-L270 HydrophobicContact CD1-CD2 4.07Å; L44-L270 HydrophobicContact CD1-CG 4.26Å; L44-L270 HydrophobicContact CD2-CG 4.32Å; L44-V273 HydrophobicContact CD1-CG1 4.19Å; L44-V273 HydrophobicContact CD1-CG2 4.33Å |
| 45 | A | 93.3 | Very high | 91 | Very high | 47 Ų | 47 | 60.1 Ų | 60.1 | 39% | 0.388 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -90.9 | -36.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V16 P19 R41 Y42 I43 | V16-A45 HydrophobicContact CG2-CB 4.28Å; P19-A45 HydrophobicContact CB-CB 3.78Å; R41-A45 WeakPolarHBondContact O-CB 3.32Å; R41-A45 PolarHBondContact O-N 2.79Å; Y42-A45 PolarHBondContact O-N 2.9Å; I43-A45 VanDerWaalsContact C-N 3.27Å; I43-A45 PolarHBondContact O-N 3.26Å |
| 46 | N | 92.8 | Very high | 90.5 | Very high | 78 Ų | 78 | 62.1 Ų | 62.1 | 42% | 0.417 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -129.4 | 1.4 | -168.6 | -56.6 | -78.7 | 0 | 0 | 0 | 114 | Y42 | Y42-N46 HydrophobicContact CD2-CB 4.42Å; Y42-N46 HydrophobicContact CE2-CB 4.1Å; Y42-N46 WeakPolarHBondContact O-CA 3.42Å; Y42-N46 WeakPolarHBondContact O-CB 3.29Å; Y42-N46 PolarHBondContact O-N 3.41Å |
| 47 | G | 93.1 | Very high | 90.2 | Very high | 17 Ų | 17 | 63 Ų | 63 | 18% | 0.175 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 140.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I43 G60 | I43-G47 WeakPolarHBondContact O-CA 3.39Å; I43-G47 PolarHBondContact O-N 2.83Å; G47-G60 WeakPolarHBondContact CA-O 3.41Å |
| 48 | V | 92.8 | Very high | 90 | Very high | 99 Ų | 99 | 63.5 Ų | 63.5 | 60% | 0.6 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 128.1 | 178.5 | -179.6 | 0 | 0 | 0 | 0 | 109 | G60 | V48-G60 PolarHBondContact N-O 3.2Å; V48-G60 PolarHBondContact O-N 3.18Å; V48-G60 VanDerWaalsContact O-N 3.09Å |
| 49 | E | 92.5 | Very high | 89.9 | Confident | 138 Ų | 138 | 63.7 Ų | 63.7 | 65% | 0.645 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 132.3 | 173.5 | -77.1 | -178.3 | -164.7 | 0 | 0 | 111.5 | T58 F59 | E49-T58 CarbonylContact C-O 3.46Å; E49-T58 VanDerWaalsContact CA-O 3.29Å; E49-T58 WeakPolarHBondContact CA-O 3.49Å; E49-F59 HydrophobicContact CG-CD1 3.43Å; E49-F59 VanDerWaalsContact CG-CD1 3.43Å; E49-F59 HydrophobicContact CG-CE1 3.18Å; E49-F59 HydrophobicContact CG-CG 4.38Å; E49-F59 HydrophobicContact CG-CZ 3.93Å; E49-F59 WeakPolarHBondContact OE1-CE1 3.49Å |
| 50 | R | 90.8 | Very high | 89.9 | Confident | 144 Ų | 144 | 64.2 Ų | 64.2 | 54% | 0.543 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 146.4 | 175.6 | -67.6 | -179.3 | 60.6 | -159.8 | -9.9 | 110.8 | T58 D258 | R50-T58 PolarHBondContact N-O 3.41Å; R50-T58 PolarHBondContact O-N 3.39Å; R50-T58 PolarHBondContact O-OG1 3.49Å; R50-D258 IonicContact CZ-OD2 2.98Å; R50-D258 IonicContact NH1-OD2 3.53Å; R50-D258 PolarHBondContact NH1-OD2 2.94Å |
| 51 | R | 86.4 | Confident | 89.8 | Confident | 229 Ų | 229 | 65.5 Ų | 65.5 | 86% | 0.864 | 32% | 0.321 | S | S | * | . | trans | -68.3 | 146.8 | 165.2 | -64.1 | -174.4 | -177.9 | -174.6 | -1 | 109.7 | ||||
| 52 | D | 80.6 | Confident | 89.8 | Confident | 36 Ų | 36 | 71.3 Ų | 71.3 | 19% | 0.193 | 35% | 0.349 | C | S | . | . | trans | -121.9 | -178.6 | 176.8 | 62.1 | 28.4 | 0 | 0 | 0 | 110.9 | T54 D55 T56 G57 T58 | D52-T54 VanDerWaalsContact C-N 3.25Å; D52-T54 VanDerWaalsContact CG-OG1 3.32Å; D52-T54 PolarHBondContact O-N 3.48Å; D52-T54 WeakPolarHBondContact OD1-CA 3.13Å; D52-T54 PolarHBondContact OD1-N 2.99Å; D52-T54 PolarHBondContact OD1-OG1 3.18Å; D52-T54 PolarHBondContact OD2-OG1 3.14Å; D52-D55 PolarHBondContact OD1-N 2.86Å; D52-T56 PolarHBondContact OD1-N 3.35Å; D52-G57 PolarHBondContact OD1-N 2.81Å; D52-G57 VanDerWaalsContact OD2-C 3.28Å; D52-G57 WeakPolarHBondContact OD2-CA 3.35Å; D52-G57 PolarHBondContact OD2-N 2.93Å; D52-T58 HydrophobicContact CB-CG2 4.04Å | ||
| 53 | R | 75.5 | Confident | 89.8 | Confident | 153 Ų | 153 | 70.6 Ų | 70.6 | 58% | 0.577 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -15.1 | 177.9 | 69.6 | 175.7 | -174.4 | 73.1 | 12.3 | 113.7 | L317 | R53-L317 PolarHBondContact NH1-OXT 2.93Š|
| 54 | T | 74.8 | Confident | 89.8 | Confident | 20 Ų | 20 | 70.8 Ų | 70.8 | 12% | 0.123 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 2 | -171.1 | 67.9 | 0 | 0 | 0 | 0 | 112 | D52 T56 A316 L317 | D52-T54 VanDerWaalsContact C-N 3.25Å; D52-T54 VanDerWaalsContact CG-OG1 3.32Å; D52-T54 PolarHBondContact O-N 3.48Å; D52-T54 WeakPolarHBondContact OD1-CA 3.13Å; D52-T54 PolarHBondContact OD1-N 2.99Å; D52-T54 PolarHBondContact OD1-OG1 3.18Å; D52-T54 PolarHBondContact OD2-OG1 3.14Å; T54-T56 PolarHBondContact O-N 3.3Å; T54-T56 PolarHBondContact O-OG1 3.49Å; T54-T56 VanDerWaalsContact OG1-CB 3.29Å; T54-T56 WeakPolarHBondContact OG1-CB 3.44Å; T54-T56 PolarHBondContact OG1-N 3.14Å; T54-T56 PolarHBondContact OG1-OG1 2.82Å; T54-A316 HydrophobicContact CG2-CB 4.31Å; T54-L317 WeakPolarHBondContact CB-O 3.35Å; T54-L317 VanDerWaalsContact CG2-C 3.41Å; T54-L317 VanDerWaalsContact CG2-OXT 3.25Å; T54-L317 WeakPolarHBondContact CG2-OXT 3.42Å |
| 55 | D | 80.8 | Confident | 89.9 | Confident | 148 Ų | 148 | 71.7 Ų | 71.7 | 79% | 0.791 | 36% | 0.361 | S | S | * | . | S | Bend | trans | 54.6 | 18.5 | -172.4 | -150.3 | 31.6 | 0 | 0 | 0 | 113.9 | D52 | D52-D55 PolarHBondContact OD1-N 2.86Š|
| 56 | T | 84.8 | Confident | 90.1 | Very high | 43 Ų | 43 | 69.5 Ų | 69.5 | 26% | 0.264 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -83.6 | -30.6 | 179.2 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | D52 T54 Y262 S263 N264 A316 | D52-T56 PolarHBondContact OD1-N 3.35Å; T54-T56 PolarHBondContact O-N 3.3Å; T54-T56 PolarHBondContact O-OG1 3.49Å; T54-T56 VanDerWaalsContact OG1-CB 3.29Å; T54-T56 WeakPolarHBondContact OG1-CB 3.44Å; T54-T56 PolarHBondContact OG1-N 3.14Å; T54-T56 PolarHBondContact OG1-OG1 2.82Å; T56-Y262 HydrophobicContact CG2-CD1 4.25Å; T56-S263 WeakPolarHBondContact O-CB 3.47Å; T56-S263 PolarHBondContact O-OG 3.18Å; T56-S263 VanDerWaalsContact O-OG 3.07Å; T56-N264 HydrophobicContact CG2-CB 4.15Å; T56-A316 HydrophobicContact CG2-CB 4.42Å |
| 57 | G | 91.1 | Very high | 90.4 | Very high | 17 Ų | 17 | 68.8 Ų | 68.8 | 18% | 0.175 | 33% | 0.334 | C | S | . | . | trans | 79.5 | 151.3 | -172 | 0 | 0 | 0 | 0 | 0 | 112.2 | D52 S263 | D52-G57 PolarHBondContact OD1-N 2.81Å; D52-G57 VanDerWaalsContact OD2-C 3.28Å; D52-G57 WeakPolarHBondContact OD2-CA 3.35Å; D52-G57 PolarHBondContact OD2-N 2.93Å; G57-S263 PolarHBondContact O-N 2.89Å; G57-S263 PolarHBondContact O-OG 3.18Å | ||
| 58 | T | 94.3 | Very high | 90.7 | Very high | 11 Ų | 11 | 68 Ų | 68 | 7% | 0.067 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 151.9 | -179 | 52 | 0 | 0 | 0 | 0 | 111.6 | E49 R50 D52 H260 I261 Y262 | E49-T58 CarbonylContact C-O 3.46Å; E49-T58 VanDerWaalsContact CA-O 3.29Å; E49-T58 WeakPolarHBondContact CA-O 3.49Å; R50-T58 PolarHBondContact N-O 3.41Å; R50-T58 PolarHBondContact O-N 3.39Å; R50-T58 PolarHBondContact O-OG1 3.49Å; D52-T58 HydrophobicContact CB-CG2 4.04Å; T58-H260 HydrophobicContact CG2-CB 4.23Å; T58-I261 CarbonylContact C-O 3.54Å; T58-I261 VanDerWaalsContact CA-O 3.3Å; T58-I261 WeakPolarHBondContact CA-O 3.47Å; T58-Y262 HydrophobicContact CG2-CD1 3.7Å; T58-Y262 HydrophobicContact CG2-CE1 3.89Å; T58-Y262 HydrophobicContact CG2-CG 4.36Å |
| 59 | F | 92 | Very high | 90.9 | Very high | 36 Ų | 36 | 64.8 Ų | 64.8 | 16% | 0.158 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 126.9 | 166.5 | -55.7 | -99.5 | 0 | 0 | 0 | 107.3 | I43 E49 H260 I261 S263 | I43-F59 HydrophobicContact CG2-CB 4.26Å; I43-F59 WeakPolarHBondContact CG2-O 3.34Å; E49-F59 HydrophobicContact CG-CD1 3.43Å; E49-F59 VanDerWaalsContact CG-CD1 3.43Å; E49-F59 HydrophobicContact CG-CE1 3.18Å; E49-F59 HydrophobicContact CG-CG 4.38Å; E49-F59 HydrophobicContact CG-CZ 3.93Å; E49-F59 WeakPolarHBondContact OE1-CE1 3.49Å; F59-H260 CarbonylContact O-C 3.47Å; F59-H260 VanDerWaalsContact O-CA 3.23Å; F59-H260 WeakPolarHBondContact O-CA 3.31Å; F59-I261 PolarHBondContact N-O 3.07Å; F59-I261 PolarHBondContact O-N 3.36Å; F59-S263 WeakPolarHBondContact CE2-OG 3.46Å |
| 60 | G | 95 | Very high | 91.2 | Very high | 10 Ų | 10 | 58.3 Ų | 58.3 | 10% | 0.103 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 171.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | G47 V48 A259 | G47-G60 WeakPolarHBondContact CA-O 3.41Å; V48-G60 PolarHBondContact N-O 3.2Å; V48-G60 PolarHBondContact O-N 3.18Å; V48-G60 VanDerWaalsContact O-N 3.09Å; G60-A259 CarbonylContact C-O 3.57Å; G60-A259 WeakPolarHBondContact CA-O 3.46Å |
| 61 | V | 95.4 | Very high | 91.6 | Very high | 27 Ų | 27 | 55.2 Ų | 55.2 | 16% | 0.164 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 154.1 | 174.9 | -59.6 | 0 | 0 | 0 | 0 | 109.1 | L39 Y42 I43 P64 A259 | L39-V61 HydrophobicContact CD1-CG2 3.93Å; Y42-V61 HydrophobicContact CD1-CG1 3.85Å; Y42-V61 HydrophobicContact CE1-CB 4.42Å; Y42-V61 HydrophobicContact CE1-CG1 3.66Å; I43-V61 HydrophobicContact CD1-CG2 4.02Å; I43-V61 HydrophobicContact CG1-CB 4.4Å; I43-V61 HydrophobicContact CG1-CG1 3.97Å; I43-V61 HydrophobicContact CG1-CG2 3.67Å; V61-P64 HydrophobicContact CG2-CG 4.09Å; V61-A259 HydrophobicContact CG2-CB 4.24Å; V61-A259 PolarHBondContact N-O 2.94Å; V61-A259 PolarHBondContact O-N 3.07Å |
| 62 | F | 95 | Very high | 92.1 | Very high | 172 Ų | 172 | 51 Ų | 51 | 75% | 0.754 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 131.2 | -175.4 | -171.2 | -111.9 | 0 | 0 | 0 | 111.8 | P64 G257 | F62-P64 VanDerWaalsContact C-CD 3.46Å; F62-G257 CarbonylContact C-O 3.54Å; F62-G257 VanDerWaalsContact CA-O 3.29Å; F62-G257 WeakPolarHBondContact CA-O 3.5Å; F62-G257 WeakPolarHBondContact CD2-O 3.4Å |
| 63 | G | 95 | Very high | 92.9 | Very high | 35 Ų | 35 | 54.8 Ų | 54.8 | 36% | 0.361 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 77.8 | 25.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | I256 G257 | G63-I256 CarbonylContact C-O 3.5Å; G63-I256 WeakPolarHBondContact CA-O 3.21Å; G63-I256 PolarHBondContact N-O 3.26Å; G63-G257 PolarHBondContact N-O 3.26Å |
| 64 | P | 95.6 | Very high | 94 | Very high | 4 Ų | 4 | 51.1 Ų | 51.1 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | trans | -71.3 | 161.8 | 174.7 | 32.6 | -36.6 | 0 | 0 | 0 | 112.4 | F23 L39 V61 F62 I256 A259 | F23-P64 HydrophobicContact CE1-CB 4.05Å; F23-P64 HydrophobicContact CZ-CB 4.27Å; L39-P64 HydrophobicContact CD1-CB 3.7Å; L39-P64 HydrophobicContact CD1-CG 3.98Å; L39-P64 HydrophobicContact CD2-CB 3.81Å; L39-P64 HydrophobicContact CD2-CG 3.82Å; L39-P64 HydrophobicContact CG-CB 4.44Å; V61-P64 HydrophobicContact CG2-CG 4.09Å; F62-P64 VanDerWaalsContact C-CD 3.46Å; P64-I256 VanDerWaalsContact CD-O 3.29Å; P64-I256 WeakPolarHBondContact CD-O 3.41Å; P64-I256 HydrophobicContact CG-CB 4.28Å; P64-I256 PolarHBondContact O-N 3.36Å; P64-A259 HydrophobicContact CG-CB 3.47Å; P64-A259 VanDerWaalsContact CG-CB 3.47Å | ||
| 65 | Q | 96.4 | Very high | 95.2 | Very high | 42 Ų | 42 | 50.1 Ų | 50.1 | 20% | 0.196 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 138.2 | 174.2 | -173.4 | 175.9 | 102.5 | 0 | 0 | 110.8 | V253 H254 T255 | Q65-V253 VanDerWaalsContact CD-CG1 3.41Å; Q65-V253 HydrophobicContact CG-CG1 3.7Å; Q65-H254 CarbonylContact C-O 3.59Å; Q65-H254 VanDerWaalsContact CA-O 3.29Å; Q65-H254 WeakPolarHBondContact CA-O 3.42Å; Q65-T255 PolarHBondContact NE2-OG1 3.14Å; Q65-T255 VanDerWaalsContact NE2-OG1 3.09Å |
| 66 | L | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 153 | 172.1 | -58.9 | 174.2 | 0 | 0 | 0 | 110 | I30 Y36 L39 F68 V227 I231 H254 | I30-L66 WeakPolarHBondContact O-CA 3.25Å; Y36-L66 HydrophobicContact CD2-CD1 4.26Å; L39-L66 HydrophobicContact CB-CD2 4.29Å; L39-L66 HydrophobicContact CD2-CD1 4.25Å; L39-L66 HydrophobicContact CD2-CD2 4.09Å; L39-L66 HydrophobicContact CD2-CG 4.21Å; L66-F68 HydrophobicContact CB-CE2 3.61Å; L66-F68 HydrophobicContact CB-CZ 4Å; L66-F68 HydrophobicContact CD1-CE2 4.43Å; L66-F68 HydrophobicContact CD1-CZ 4.25Å; L66-V227 HydrophobicContact CD1-CG1 4.45Å; L66-I231 HydrophobicContact CD1-CD1 4.4Å; L66-H254 HydrophobicContact CB-CB 4.3Å; L66-H254 PolarHBondContact N-O 3.4Å; L66-H254 PolarHBondContact O-N 2.9Å |
| 67 | R | 98.3 | Very high | 96.7 | Very high | 63 Ų | 63 | 41 Ų | 41 | 24% | 0.238 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 138.5 | -178.6 | -57.1 | -172.4 | 70.8 | 95.7 | 1.4 | 111.2 | I30 F31 G32 E251 V253 | I30-R67 HydrophobicContact CD1-CG 4.12Å; I30-R67 HydrophobicContact CG1-CG 4.48Å; I30-R67 PolarHBondContact O-N 3.03Å; F31-R67 CarbonylContact C-O 3.6Å; F31-R67 VanDerWaalsContact CA-O 3.29Å; F31-R67 WeakPolarHBondContact CA-O 3.47Å; F31-R67 HydrophobicContact CD1-CB 3.73Å; F31-R67 HydrophobicContact CD2-CB 4.21Å; F31-R67 HydrophobicContact CE1-CB 3.63Å; F31-R67 HydrophobicContact CE2-CB 4.15Å; F31-R67 HydrophobicContact CE2-CG 4.45Å; F31-R67 HydrophobicContact CG-CB 4.05Å; F31-R67 HydrophobicContact CZ-CB 3.87Å; F31-R67 HydrophobicContact CZ-CG 4.36Å; G32-R67 PolarHBondContact N-O 2.75Å; R67-E251 IonicContact CZ-OE2 2.75Å; R67-E251 IonicContact NE-OE2 3.66Å; R67-E251 IonicContact NH2-OE2 3.36Å; R67-E251 PolarHBondContact NH2-OE2 3.08Å; R67-V253 HydrophobicContact CG-CG1 4.39Å; R67-V253 HydrophobicContact CG-CG2 4.46Å |
| 68 | F | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 130.5 | -177.4 | -56.9 | -90.7 | 0 | 0 | 0 | 109.6 | G32 L66 P76 I231 E251 F252 F280 | G32-F68 WeakPolarHBondContact O-CE1 3.45Å; L66-F68 HydrophobicContact CB-CE2 3.61Å; L66-F68 HydrophobicContact CB-CZ 4Å; L66-F68 HydrophobicContact CD1-CE2 4.43Å; L66-F68 HydrophobicContact CD1-CZ 4.25Å; F68-P76 HydrophobicContact CB-CB 3.87Å; F68-P76 HydrophobicContact CB-CG 3.97Å; F68-P76 HydrophobicContact CD1-CB 3.49Å; F68-P76 VanDerWaalsContact CD1-CB 3.49Å; F68-P76 HydrophobicContact CD1-CG 4.38Å; F68-P76 HydrophobicContact CE1-CB 4.3Å; F68-P76 HydrophobicContact CG-CB 3.85Å; F68-P76 HydrophobicContact CG-CG 4.26Å; F68-I231 HydrophobicContact CD1-CG2 4.08Å; F68-I231 HydrophobicContact CD2-CG2 3.94Å; F68-I231 HydrophobicContact CE1-CD1 4.32Å; F68-I231 HydrophobicContact CE1-CG2 3.94Å; F68-I231 HydrophobicContact CE2-CB 4.46Å; F68-I231 HydrophobicContact CE2-CD1 3.9Å; F68-I231 HydrophobicContact CE2-CG1 3.79Å; F68-I231 HydrophobicContact CE2-CG2 3.79Å; F68-I231 HydrophobicContact CG-CG2 4.08Å; F68-I231 HydrophobicContact CZ-CD1 3.49Å; F68-I231 VanDerWaalsContact CZ-CD1 3.49Å; F68-I231 HydrophobicContact CZ-CG1 3.89Å; F68-I231 HydrophobicContact CZ-CG2 3.8Å; F68-E251 WeakPolarHBondContact O-CA 3.44Å; F68-F252 HydrophobicContact CB-CB 4.43Å; F68-F252 HydrophobicContact CB-CD1 4.48Å; F68-F252 AromaticContact CD2-CD1 3.67Å; F68-F252 HydrophobicContact CD2-CD1 3.67Å; F68-F252 HydrophobicContact CD2-CE1 4.17Å; F68-F252 HydrophobicContact CE2-CD1 4.37Å; F68-F252 HydrophobicContact CE2-CE1 4.44Å; F68-F252 HydrophobicContact CG-CD1 4.4Å; F68-F252 PolarHBondContact N-O 2.91Å; F68-F252 PolarHBondContact O-N 2.59Å; F68-F280 HydrophobicContact CD1-CE2 4.29Å; F68-F280 HydrophobicContact CD1-CZ 4.24Å; F68-F280 HydrophobicContact CE1-CZ 4.36Å |
| 69 | S | 98.2 | Very high | 97.2 | Very high | 33 Ų | 33 | 39.7 Ų | 39.7 | 23% | 0.231 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 139 | 171 | 178.1 | 0 | 0 | 0 | 0 | 109.4 | R71 | S69-R71 PolarHBondContact OG-N 3.05Å |
| 70 | L | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | trans | -110.7 | -2.4 | 170.1 | -51.2 | -179.2 | 0 | 0 | 0 | 111.7 | E74 P76 A235 T238 P249 G250 F252 | L70-E74 WeakPolarHBondContact CA-O 3.24Å; L70-P76 HydrophobicContact CD2-CG 3.97Å; L70-A235 HydrophobicContact CD2-CB 3.59Å; L70-T238 HydrophobicContact CD1-CG2 3.66Å; L70-P249 HydrophobicContact CB-CB 3.56Å; L70-P249 HydrophobicContact CD1-CB 4.29Å; L70-G250 WeakPolarHBondContact CA-O 2.97Å; L70-G250 WeakPolarHBondContact CB-O 3.42Å; L70-G250 PolarHBondContact N-O 3.22Å; L70-F252 HydrophobicContact CD1-CB 4.21Å; L70-F252 HydrophobicContact CD2-CB 4.31Å; L70-F252 HydrophobicContact CG-CB 4.38Å | ||
| 71 | R | 98.4 | Very high | 97.7 | Very high | 79 Ų | 79 | 38.1 Ų | 38.1 | 30% | 0.298 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -62.8 | 154.3 | 179.9 | -60.4 | -176.1 | -179.9 | 90.9 | 4.4 | 110.8 | S69 H73 E74 E211 G250 E251 | S69-R71 PolarHBondContact OG-N 3.05Å; R71-H73 PolarHBondContact O-N 2.9Å; R71-E74 WeakPolarHBondContact O-CB 3.28Å; R71-E74 PolarHBondContact O-N 2.82Å; R71-E74 VanDerWaalsContact O-N 3.14Å; R71-E211 WeakPolarHBondContact CD-OE1 3.47Å; R71-E211 IonicContact CZ-OE2 2.88Å; R71-E211 VanDerWaalsContact NE-CD 3.29Å; R71-E211 IonicContact NE-OE1 3.45Å; R71-E211 PolarHBondContact NE-OE1 2.85Å; R71-E211 IonicContact NE-OE2 3.58Å; R71-E211 PolarHBondContact NE-OE2 2.87Å; R71-E211 IonicContact NH2-OE2 3.68Å; R71-E211 PolarHBondContact NH2-OE2 2.71Å; R71-G250 PolarHBondContact N-O 3.32Å; R71-E251 IonicContact CZ-OE1 3.53Å; R71-E251 IonicContact NH1-OE1 2.68Å; R71-E251 PolarHBondContact NH1-OE1 3.25Å; R71-E251 IonicContact NH2-OE1 3.54Å |
| 72 | N | 97.7 | Very high | 97.8 | Very high | 141 Ų | 141 | 39.8 Ų | 39.8 | 75% | 0.754 | 20% | 0.199 | S | C | * | . | G | 310 helix | trans | 55.9 | 30.6 | 178.9 | -52.8 | -48.5 | 0 | 0 | 0 | 113.7 | E74 | N72-E74 PolarHBondContact O-N 2.92Š|
| 73 | H | 98 | Very high | 97.9 | Very high | 115 Ų | 115 | 32.2 Ų | 32.2 | 53% | 0.532 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | 65.7 | 12.7 | -178.3 | -51.1 | -82.7 | 0 | 0 | 0 | 115 | R71 Y75 K282 L283 | R71-H73 PolarHBondContact O-N 2.9Å; H73-Y75 PolarHBondContact O-N 3.48Å; H73-K282 HydrophobicContact CB-CB 4.25Å; H73-K282 HydrophobicContact CB-CG 4.49Å; H73-K282 CarbonylContact O-C 3.48Å; H73-K282 WeakPolarHBondContact O-CA 2.9Å; H73-L283 PolarHBondContact O-N 3.37Å |
| 74 | E | 98.6 | Very high | 97.9 | Very high | 76 Ų | 76 | 35.1 Ų | 35.1 | 36% | 0.355 | 17% | 0.17 | S | C | . | . | B | Isolated β-bridge | trans | -60.7 | 131.4 | 173.8 | -173.6 | 170 | 89.5 | 0 | 0 | 110.2 | L70 R71 N72 F280 | L70-E74 WeakPolarHBondContact CA-O 3.24Å; R71-E74 WeakPolarHBondContact O-CB 3.28Å; R71-E74 PolarHBondContact O-N 2.82Å; R71-E74 VanDerWaalsContact O-N 3.14Å; N72-E74 PolarHBondContact O-N 2.92Å; E74-F280 HydrophobicContact CG-CB 3.79Å; E74-F280 HydrophobicContact CG-CD2 4.02Å; E74-F280 HydrophobicContact CG-CG 4.38Å |
| 75 | Y | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -124.1 | 116.6 | -178.9 | -178.8 | -116.7 | 0 | 0 | 0 | 110.5 | H73 L77 F85 A232 A235 L236 P281 L283 L302 | H73-Y75 PolarHBondContact O-N 3.48Å; Y75-L77 HydrophobicContact CD1-CB 3.8Å; Y75-L77 HydrophobicContact CE1-CB 3.84Å; Y75-L77 HydrophobicContact CE1-CD1 4.34Å; Y75-L77 HydrophobicContact CE1-CD2 4.43Å; Y75-L77 HydrophobicContact CE1-CG 4.44Å; Y75-L77 PolarHBondContact O-N 3.09Å; Y75-F85 HydrophobicContact CD1-CE2 4.5Å; Y75-F85 AromaticContact CE1-CD2 3.89Å; Y75-F85 HydrophobicContact CE1-CD2 3.89Å; Y75-F85 AromaticContact CE1-CE2 3.58Å; Y75-F85 HydrophobicContact CE1-CE2 3.58Å; Y75-F85 AromaticContact CZ-CE2 3.96Å; Y75-A232 HydrophobicContact CE1-CB 4.43Å; Y75-A232 WeakPolarHBondContact CE2-O 3.32Å; Y75-A232 WeakPolarHBondContact OH-CB 3.42Å; Y75-A232 PolarHBondContact OH-O 2.92Å; Y75-A235 HydrophobicContact CD2-CB 4.23Å; Y75-A235 HydrophobicContact CE2-CB 3.98Å; Y75-L236 HydrophobicContact CE2-CB 3.96Å; Y75-P281 HydrophobicContact CD1-CG 4.38Å; Y75-P281 PolarHBondContact N-O 3.37Å; Y75-P281 WeakPolarHBondContact O-CD 3.36Å; Y75-L283 HydrophobicContact CD1-CB 4.41Å; Y75-L283 HydrophobicContact CD2-CB 4.15Å; Y75-L283 HydrophobicContact CD2-CD2 3.83Å; Y75-L283 HydrophobicContact CE2-CD2 4.08Å; Y75-L283 HydrophobicContact CG-CB 3.81Å; Y75-L283 HydrophobicContact CG-CD2 4.29Å; Y75-L302 HydrophobicContact CD1-CD1 3.67Å; Y75-L302 HydrophobicContact CE1-CD1 4.21Å | ||
| 76 | P | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -76.7 | 64.8 | -171.2 | 33.3 | -38.2 | 0 | 0 | 0 | 112.4 | F68 L70 I231 A235 F280 | F68-P76 HydrophobicContact CB-CB 3.87Å; F68-P76 HydrophobicContact CB-CG 3.97Å; F68-P76 HydrophobicContact CD1-CB 3.49Å; F68-P76 VanDerWaalsContact CD1-CB 3.49Å; F68-P76 HydrophobicContact CD1-CG 4.38Å; F68-P76 HydrophobicContact CE1-CB 4.3Å; F68-P76 HydrophobicContact CG-CB 3.85Å; F68-P76 HydrophobicContact CG-CG 4.26Å; L70-P76 HydrophobicContact CD2-CG 3.97Å; P76-I231 HydrophobicContact CB-CG2 3.75Å; P76-I231 HydrophobicContact CG-CG2 3.84Å; P76-I231 WeakPolarHBondContact O-CG2 3.38Å; P76-A235 HydrophobicContact CG-CB 3.49Å; P76-A235 VanDerWaalsContact CG-CB 3.49Å; P76-F280 HydrophobicContact CB-CE1 4.47Å; P76-F280 HydrophobicContact CB-CE2 4.13Å; P76-F280 HydrophobicContact CB-CZ 4.07Å | ||
| 77 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -95.2 | 112.8 | 169.2 | -169.1 | 68.5 | 0 | 0 | 0 | 108.3 | Y75 T79 V83 F85 I88 A232 F280 P281 L302 Y305 | Y75-L77 HydrophobicContact CD1-CB 3.8Å; Y75-L77 HydrophobicContact CE1-CB 3.84Å; Y75-L77 HydrophobicContact CE1-CD1 4.34Å; Y75-L77 HydrophobicContact CE1-CD2 4.43Å; Y75-L77 HydrophobicContact CE1-CG 4.44Å; Y75-L77 PolarHBondContact O-N 3.09Å; L77-T79 PolarHBondContact O-N 2.83Å; L77-V83 HydrophobicContact CD1-CB 3.71Å; L77-V83 HydrophobicContact CD1-CG1 3.82Å; L77-V83 HydrophobicContact CD1-CG2 4.48Å; L77-V83 HydrophobicContact CG-CB 4.3Å; L77-F85 HydrophobicContact CD2-CB 4.18Å; L77-F85 HydrophobicContact CD2-CD2 4.23Å; L77-F85 HydrophobicContact CD2-CG 4.48Å; L77-I88 HydrophobicContact CD1-CD1 3.7Å; L77-A232 HydrophobicContact CD1-CB 3.78Å; L77-F280 WeakPolarHBondContact O-CD1 3.33Å; L77-P281 HydrophobicContact CB-CG 3.92Å; L77-L302 HydrophobicContact CD2-CD1 4.43Å; L77-L302 HydrophobicContact CD2-CD2 3.64Å; L77-Y305 HydrophobicContact CB-CE2 4.19Å; L77-Y305 HydrophobicContact CD2-CD1 3.86Å; L77-Y305 HydrophobicContact CD2-CD2 3.95Å; L77-Y305 HydrophobicContact CD2-CE1 3.52Å; L77-Y305 HydrophobicContact CD2-CE2 3.63Å; L77-Y305 HydrophobicContact CD2-CG 4.07Å; L77-Y305 VanDerWaalsContact CD2-CZ 3.41Å; L77-Y305 HydrophobicContact CG-CD2 4.47Å; L77-Y305 HydrophobicContact CG-CE1 4.31Å; L77-Y305 HydrophobicContact CG-CE2 3.79Å | ||
| 78 | L | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -50.8 | 139.2 | -173.9 | -60.4 | -163.6 | 0 | 0 | 0 | 112.1 | E33 Y36 V83 P228 F280 Y305 | E33-L78 HydrophobicContact CB-CD2 4.36Å; E33-L78 HydrophobicContact CG-CD2 3.99Å; E33-L78 WeakPolarHBondContact OE1-CB 3.38Å; Y36-L78 HydrophobicContact CD1-CD1 3.76Å; Y36-L78 HydrophobicContact CD1-CD2 4.42Å; Y36-L78 HydrophobicContact CE1-CD1 3.45Å; Y36-L78 VanDerWaalsContact CE1-CD1 3.45Å; Y36-L78 HydrophobicContact CE2-CD1 4.27Å; Y36-L78 HydrophobicContact CG-CD1 4.29Å; L78-V83 HydrophobicContact CB-CG2 3.98Å; L78-P228 HydrophobicContact CD1-CB 3.63Å; L78-P228 HydrophobicContact CD1-CG 3.66Å; L78-P228 HydrophobicContact CG-CB 4.14Å; L78-F280 HydrophobicContact CD2-CE1 4.36Å; L78-Y305 WeakPolarHBondContact O-CE2 3.29Å; L78-Y305 PolarHBondContact O-OH 2.98Å | ||
| 79 | T | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -105 | -28.1 | -178 | 69.2 | 0 | 0 | 0 | 0 | 111.8 | E33 L77 K81 R278 F280 Y305 P307 Y308 | E33-T79 VanDerWaalsContact CD-N 3.29Å; E33-T79 PolarHBondContact OE1-N 2.89Å; E33-T79 WeakPolarHBondContact OE2-CB 3.4Å; E33-T79 PolarHBondContact OE2-N 3.23Å; E33-T79 PolarHBondContact OE2-OG1 2.82Å; L77-T79 PolarHBondContact O-N 2.83Å; T79-K81 PolarHBondContact O-N 2.78Å; T79-R278 HydrophobicContact CG2-CB 4.28Å; T79-R278 PolarHBondContact OG1-N 3.17Å; T79-R278 PolarHBondContact OG1-O 3.25Å; T79-F280 HydrophobicContact CG2-CD1 4.22Å; T79-Y305 HydrophobicContact CG2-CE2 4.47Å; T79-P307 CarbonylContact O-C 3.4Å; T79-P307 VanDerWaalsContact O-CA 3.26Å; T79-P307 WeakPolarHBondContact O-CA 3.41Å; T79-Y308 VanDerWaalsContact O-CD2 3.29Å; T79-Y308 WeakPolarHBondContact O-CD2 3.32Å; T79-Y308 PolarHBondContact O-N 2.64Å |
| 80 | T | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -62.2 | -9.9 | 176.3 | 53.9 | 0 | 0 | 0 | 0 | 113.8 | E33 L37 Q272 R275 P277 | E33-T80 HydrophobicContact CG-CG2 4.43Å; E33-T80 VanDerWaalsContact OE1-CB 3.26Å; E33-T80 WeakPolarHBondContact OE1-CB 3.37Å; E33-T80 WeakPolarHBondContact OE1-CG2 3.01Å; E33-T80 PolarHBondContact OE1-N 2.82Å; E33-T80 PolarHBondContact OE1-OG1 3.09Å; L37-T80 HydrophobicContact CD1-CG2 3.83Å; L37-T80 HydrophobicContact CD2-CG2 4.29Å; T80-Q272 PolarHBondContact OG1-NE2 2.8Å; T80-R275 HydrophobicContact CG2-CB 3.84Å; T80-R275 WeakPolarHBondContact O-CD 3.37Å; T80-R275 PolarHBondContact O-NH1 3.46Å; T80-P277 HydrophobicContact CG2-CB 4.5Å; T80-P277 HydrophobicContact CG2-CG 4.06Å |
| 81 | K | 98.1 | Very high | 98.1 | Very high | 12 Ų | 12 | 35.5 Ų | 35.5 | 5% | 0.052 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -154.4 | 157.1 | 165.6 | 57.6 | 173.1 | -179.8 | 155.2 | 0 | 109.4 | T79 V83 G224 Y305 Y308 I311 M313 | T79-K81 PolarHBondContact O-N 2.78Å; K81-V83 PolarHBondContact O-N 2.88Å; K81-G224 PolarHBondContact NZ-O 2.77Å; K81-Y305 PolarHBondContact O-OH 2.78Å; K81-Y308 CarbonylContact C-O 3.59Å; K81-I311 HydrophobicContact CB-CD1 4.31Å; K81-I311 HydrophobicContact CB-CG1 4.22Å; K81-M313 HydrophobicContact CD-CE 4.41Å |
| 82 | T | 97.4 | Very high | 98.1 | Very high | 62 Ų | 62 | 31.7 Ų | 31.7 | 38% | 0.38 | 15% | 0.151 | S | C | . | . | trans | -69 | 130.1 | 171.6 | -49.2 | 0 | 0 | 0 | 0 | 110.5 | P307 Y308 K310 | T82-P307 HydrophobicContact CG2-CG 4.27Å; T82-Y308 PolarHBondContact N-O 3.13Å; T82-Y308 VanDerWaalsContact N-O 3.08Å; T82-Y308 PolarHBondContact OG1-O 2.85Å; T82-K310 PolarHBondContact OG1-N 2.94Å | ||
| 83 | V | 96.7 | Very high | 98.2 | Very high | 14 Ų | 14 | 25.4 Ų | 25.4 | 9% | 0.085 | 12% | 0.117 | C | C | . | . | trans | -112.8 | 139.7 | 174.3 | -175.3 | 0 | 0 | 0 | 0 | 109.3 | L77 L78 K81 F85 I88 Y305 | L77-V83 HydrophobicContact CD1-CB 3.71Å; L77-V83 HydrophobicContact CD1-CG1 3.82Å; L77-V83 HydrophobicContact CD1-CG2 4.48Å; L77-V83 HydrophobicContact CG-CB 4.3Å; L78-V83 HydrophobicContact CB-CG2 3.98Å; K81-V83 PolarHBondContact O-N 2.88Å; V83-F85 PolarHBondContact O-N 3.4Å; V83-I88 HydrophobicContact CG1-CD1 3.63Å; V83-Y305 PolarHBondContact N-OH 3.21Å; V83-Y305 VanDerWaalsContact N-OH 3.1Å | ||
| 84 | F | 96.4 | Very high | 98.2 | Very high | 95 Ų | 95 | 19.9 Ų | 19.9 | 42% | 0.417 | 9% | 0.092 | S | C | . | . | trans | -76.9 | 84.2 | -173.5 | -177.6 | -147.3 | 0 | 0 | 0 | 111.9 | R86 G87 I88 V110 F112 | F84-R86 HydrophobicContact CD2-CB 4.39Å; F84-R86 HydrophobicContact CE2-CB 3.72Å; F84-R86 HydrophobicContact CZ-CB 4.12Å; F84-R86 PolarHBondContact O-N 2.86Å; F84-G87 PolarHBondContact O-N 3.24Å; F84-G87 VanDerWaalsContact O-N 3.16Å; F84-I88 PolarHBondContact O-N 2.79Å; F84-V110 HydrophobicContact CE1-CG2 4.26Å; F84-V110 HydrophobicContact CZ-CG2 4.44Å; F84-F112 HydrophobicContact CD1-CE1 4.15Å; F84-F112 HydrophobicContact CD1-CE2 4.29Å; F84-F112 AromaticContact CD1-CZ 3.5Å; F84-F112 HydrophobicContact CD1-CZ 3.5Å; F84-F112 VanDerWaalsContact CD1-CZ 3.5Å; F84-F112 HydrophobicContact CE1-CZ 4.17Å; F84-F112 HydrophobicContact CG-CZ 4.45Å | ||
| 85 | F | 97.9 | Very high | 98.2 | Very high | 25 Ų | 25 | 16.3 Ų | 16.3 | 11% | 0.11 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -56.7 | -44.5 | -175.5 | 179.7 | -114.6 | 0 | 0 | 0 | 114.1 | Y75 L77 V83 G87 I88 V89 L283 F297 F300 L302 | Y75-F85 HydrophobicContact CD1-CE2 4.5Å; Y75-F85 AromaticContact CE1-CD2 3.89Å; Y75-F85 HydrophobicContact CE1-CD2 3.89Å; Y75-F85 AromaticContact CE1-CE2 3.58Å; Y75-F85 HydrophobicContact CE1-CE2 3.58Å; Y75-F85 AromaticContact CZ-CE2 3.96Å; L77-F85 HydrophobicContact CD2-CB 4.18Å; L77-F85 HydrophobicContact CD2-CD2 4.23Å; L77-F85 HydrophobicContact CD2-CG 4.48Å; V83-F85 PolarHBondContact O-N 3.4Å; F85-G87 VanDerWaalsContact C-N 3.29Å; F85-G87 PolarHBondContact O-N 3.33Å; F85-I88 WeakPolarHBondContact O-CB 3.46Å; F85-I88 PolarHBondContact O-N 2.86Å; F85-I88 VanDerWaalsContact O-N 3.09Å; F85-V89 HydrophobicContact CD1-CG2 4.35Å; F85-V89 HydrophobicContact CD2-CG2 4.2Å; F85-V89 HydrophobicContact CE1-CG2 3.88Å; F85-V89 HydrophobicContact CE2-CG2 3.71Å; F85-V89 HydrophobicContact CZ-CG2 3.54Å; F85-V89 WeakPolarHBondContact O-CG2 3.37Å; F85-V89 PolarHBondContact O-N 2.87Å; F85-L283 HydrophobicContact CE2-CD1 4.36Å; F85-L283 HydrophobicContact CZ-CD1 3.94Å; F85-F297 HydrophobicContact CD1-CE2 4.46Å; F85-F297 HydrophobicContact CE1-CE2 4.41Å; F85-F300 HydrophobicContact CZ-CB 4.14Å; F85-L302 HydrophobicContact CD1-CB 4.5Å; F85-L302 HydrophobicContact CD1-CD2 4.31Å; F85-L302 HydrophobicContact CD2-CD2 4.49Å; F85-L302 HydrophobicContact CE1-CB 4.2Å; F85-L302 HydrophobicContact CE2-CD1 4.4Å; F85-L302 HydrophobicContact CG-CD2 4.2Å; F85-L302 HydrophobicContact CZ-CB 4.49Å |
| 86 | R | 97.4 | Very high | 98.2 | Very high | 108 Ų | 108 | 16.4 Ų | 16.4 | 41% | 0.408 | 8% | 0.076 | S | C | . | . | H | α-helix | trans | -59.4 | -42.1 | 177.3 | 179.5 | 175.5 | -176.2 | 150.5 | 6 | 112 | F84 I88 V89 E90 F297 | F84-R86 HydrophobicContact CD2-CB 4.39Å; F84-R86 HydrophobicContact CE2-CB 3.72Å; F84-R86 HydrophobicContact CZ-CB 4.12Å; F84-R86 PolarHBondContact O-N 2.86Å; R86-I88 VanDerWaalsContact C-N 3.3Å; R86-I88 PolarHBondContact O-N 2.98Å; R86-V89 PolarHBondContact O-N 2.91Å; R86-E90 HydrophobicContact CG-CG 4.01Å; R86-E90 IonicContact NH2-OE1 2.76Å; R86-E90 WeakPolarHBondContact O-CB 3.48Å; R86-E90 VanDerWaalsContact O-CG 3.24Å; R86-E90 WeakPolarHBondContact O-CG 3.44Å; R86-E90 PolarHBondContact O-N 2.93Å; R86-F297 HydrophobicContact CB-CE2 3.79Å; R86-F297 HydrophobicContact CB-CZ 4.15Å; R86-F297 HydrophobicContact CG-CD2 4.11Å; R86-F297 HydrophobicContact CG-CE2 3.8Å; R86-F297 HydrophobicContact CG-CZ 4.17Å |
| 87 | G | 98 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58 | -42.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F84 F85 E91 | F84-G87 PolarHBondContact O-N 3.24Å; F84-G87 VanDerWaalsContact O-N 3.16Å; F85-G87 VanDerWaalsContact C-N 3.29Å; F85-G87 PolarHBondContact O-N 3.33Å; G87-E91 VanDerWaalsContact O-CB 3.32Å; G87-E91 WeakPolarHBondContact O-CB 3.29Å; G87-E91 PolarHBondContact O-N 3.38Å |
| 88 | I | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.6 | -50.8 | 176.8 | -66 | 159.4 | 0 | 0 | 0 | 111.4 | L77 V83 F84 F85 R86 L92 F229 A232 | L77-I88 HydrophobicContact CD1-CD1 3.7Å; V83-I88 HydrophobicContact CG1-CD1 3.63Å; F84-I88 PolarHBondContact O-N 2.79Å; F85-I88 WeakPolarHBondContact O-CB 3.46Å; F85-I88 PolarHBondContact O-N 2.86Å; F85-I88 VanDerWaalsContact O-N 3.09Å; R86-I88 VanDerWaalsContact C-N 3.3Å; R86-I88 PolarHBondContact O-N 2.98Å; I88-L92 WeakPolarHBondContact O-CB 3.18Å; I88-L92 PolarHBondContact O-N 2.72Å; I88-L92 VanDerWaalsContact O-N 3.07Å; I88-F229 HydrophobicContact CB-CE1 4.43Å; I88-F229 HydrophobicContact CB-CE2 4.15Å; I88-F229 HydrophobicContact CB-CZ 4.06Å; I88-F229 HydrophobicContact CD1-CD2 4.27Å; I88-F229 HydrophobicContact CD1-CE2 4.48Å; I88-F229 HydrophobicContact CG1-CD1 4.17Å; I88-F229 HydrophobicContact CG1-CD2 3.46Å; I88-F229 VanDerWaalsContact CG1-CD2 3.46Å; I88-F229 HydrophobicContact CG1-CE1 4.01Å; I88-F229 HydrophobicContact CG1-CE2 3.3Å; I88-F229 HydrophobicContact CG1-CG 3.91Å; I88-F229 HydrophobicContact CG1-CZ 3.64Å; I88-A232 HydrophobicContact CD1-CB 3.58Å; I88-A232 HydrophobicContact CG1-CB 4.47Å; I88-A232 HydrophobicContact CG2-CB 4.24Å |
| 89 | V | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.6 | -48.1 | -177 | 177.3 | 0 | 0 | 0 | 0 | 110.9 | F85 R86 L92 L93 L236 F297 F300 | F85-V89 HydrophobicContact CD1-CG2 4.35Å; F85-V89 HydrophobicContact CD2-CG2 4.2Å; F85-V89 HydrophobicContact CE1-CG2 3.88Å; F85-V89 HydrophobicContact CE2-CG2 3.71Å; F85-V89 HydrophobicContact CZ-CG2 3.54Å; F85-V89 WeakPolarHBondContact O-CG2 3.37Å; F85-V89 PolarHBondContact O-N 2.87Å; R86-V89 PolarHBondContact O-N 2.91Å; V89-L92 PolarHBondContact O-N 3.03Å; V89-L93 HydrophobicContact CG1-CD1 3.95Å; V89-L93 HydrophobicContact CG1-CG 4.34Å; V89-L93 VanDerWaalsContact O-CG 3.29Å; V89-L93 WeakPolarHBondContact O-CG 3.34Å; V89-L93 PolarHBondContact O-N 3.4Å; V89-L236 HydrophobicContact CB-CD2 4.29Å; V89-L236 HydrophobicContact CG1-CD2 4.5Å; V89-L236 HydrophobicContact CG2-CD2 3.76Å; V89-F297 HydrophobicContact CB-CD2 3.83Å; V89-F297 HydrophobicContact CB-CE2 4.3Å; V89-F297 HydrophobicContact CG1-CB 4.33Å; V89-F297 HydrophobicContact CG1-CD2 3.7Å; V89-F297 HydrophobicContact CG1-CG 4.49Å; V89-F297 HydrophobicContact CG2-CD2 4.27Å; V89-F297 HydrophobicContact CG2-CE2 4.34Å; V89-F300 HydrophobicContact CG1-CD2 3.48Å; V89-F300 VanDerWaalsContact CG1-CD2 3.48Å; V89-F300 HydrophobicContact CG1-CE2 3.69Å; V89-F300 HydrophobicContact CG1-CG 4.45Å; V89-F300 HydrophobicContact CG2-CD2 4.42Å |
| 90 | E | 98.6 | Very high | 98.1 | Very high | 6 Ų | 6 | 22.4 Ų | 22.4 | 3% | 0.028 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -68.4 | -38.1 | -175.1 | -64.6 | -73.5 | -162.1 | 0 | 0 | 112.5 | R86 L93 W94 L105 K108 V110 | R86-E90 HydrophobicContact CG-CG 4.01Å; R86-E90 IonicContact NH2-OE1 2.76Å; R86-E90 WeakPolarHBondContact O-CB 3.48Å; R86-E90 VanDerWaalsContact O-CG 3.24Å; R86-E90 WeakPolarHBondContact O-CG 3.44Å; R86-E90 PolarHBondContact O-N 2.93Å; E90-L93 PolarHBondContact O-N 2.95Å; E90-W94 VanDerWaalsContact O-CB 3.31Å; E90-W94 WeakPolarHBondContact O-CB 3.31Å; E90-W94 PolarHBondContact O-N 3.3Å; E90-L105 HydrophobicContact CB-CD2 4.32Å; E90-K108 HydrophobicContact CG-CD 4.32Å; E90-K108 IonicContact OE1-NZ 3.13Å; E90-K108 VanDerWaalsContact OE2-CD 3.25Å; E90-K108 WeakPolarHBondContact OE2-CD 3.29Å; E90-K108 IonicContact OE2-NZ 3.17Å; E90-K108 PolarHBondContact OE2-NZ 3.26Å; E90-V110 HydrophobicContact CB-CG2 4.03Å; E90-V110 HydrophobicContact CG-CG2 4.33Å |
| 91 | E | 98.4 | Very high | 98.1 | Very high | 12 Ų | 12 | 23.1 Ų | 23.1 | 6% | 0.056 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.8 | -43.3 | 173.2 | -171.5 | -173.9 | -104.5 | 0 | 0 | 111.4 | G87 L93 W94 F95 L105 W113 F229 | G87-E91 VanDerWaalsContact O-CB 3.32Å; G87-E91 WeakPolarHBondContact O-CB 3.29Å; G87-E91 PolarHBondContact O-N 3.38Å; E91-L93 PolarHBondContact O-N 2.98Å; E91-W94 HydrophobicContact CG-CE3 4.25Å; E91-W94 WeakPolarHBondContact O-CB 3.36Å; E91-W94 PolarHBondContact O-N 3.25Å; E91-W94 VanDerWaalsContact O-N 3.14Å; E91-F95 HydrophobicContact CG-CD2 4.45Å; E91-F95 HydrophobicContact CG-CE1 4.12Å; E91-F95 HydrophobicContact CG-CE2 3.87Å; E91-F95 HydrophobicContact CG-CZ 3.68Å; E91-F95 WeakPolarHBondContact O-CG 3.44Å; E91-F95 PolarHBondContact O-N 3.27Å; E91-L105 HydrophobicContact CG-CD1 4.42Å; E91-W113 PolarHBondContact OE1-NE1 2.88Å; E91-F229 HydrophobicContact CB-CZ 4.26Å; E91-F229 WeakPolarHBondContact OE2-CE1 3.17Å |
| 92 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.3 | -43.3 | 177.4 | -178.8 | 62.6 | 0 | 0 | 0 | 111.9 | I88 V89 W94 F95 I96 W143 L236 L237 M240 | I88-L92 WeakPolarHBondContact O-CB 3.18Å; I88-L92 PolarHBondContact O-N 2.72Å; I88-L92 VanDerWaalsContact O-N 3.07Å; V89-L92 PolarHBondContact O-N 3.03Å; L92-W94 PolarHBondContact O-N 3.33Å; L92-F95 PolarHBondContact O-N 2.82Å; L92-I96 HydrophobicContact CD1-CD1 4.43Å; L92-I96 HydrophobicContact CG-CD1 4.05Å; L92-I96 WeakPolarHBondContact O-CG1 3.46Å; L92-I96 PolarHBondContact O-N 3.29Å; L92-W143 HydrophobicContact CD1-CH2 3.99Å; L92-W143 HydrophobicContact CD1-CZ3 4.05Å; L92-L236 HydrophobicContact CD2-CB 3.88Å; L92-L236 HydrophobicContact CD2-CD2 3.71Å; L92-L236 HydrophobicContact CD2-CG 3.63Å; L92-L237 HydrophobicContact CD1-CB 4.14Å; L92-L237 HydrophobicContact CD1-CD1 4.27Å; L92-L237 HydrophobicContact CD2-CB 4.08Å; L92-M240 HydrophobicContact CD2-SD 3.65Å; L92-M240 HydrophobicContact CG-SD 4.43Å |
| 93 | L | 98.7 | Very high | 98 | Very high | 8 Ų | 8 | 24.2 Ų | 24.2 | 4% | 0.042 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.1 | -35.6 | 174.5 | -68.7 | 175.8 | 0 | 0 | 0 | 111.5 | V89 E90 E91 I96 R97 M240 F295 F300 | V89-L93 HydrophobicContact CG1-CD1 3.95Å; V89-L93 HydrophobicContact CG1-CG 4.34Å; V89-L93 VanDerWaalsContact O-CG 3.29Å; V89-L93 WeakPolarHBondContact O-CG 3.34Å; V89-L93 PolarHBondContact O-N 3.4Å; E90-L93 PolarHBondContact O-N 2.95Å; E91-L93 PolarHBondContact O-N 2.98Å; L93-I96 PolarHBondContact O-N 3.45Å; L93-R97 VanDerWaalsContact C-NH1 3.32Å; L93-R97 WeakPolarHBondContact O-CG 3.43Å; L93-R97 PolarHBondContact O-N 2.95Å; L93-R97 PolarHBondContact O-NH1 2.81Å; L93-R97 VanDerWaalsContact O-NH1 3.12Å; L93-M240 HydrophobicContact CD2-CE 3.91Å; L93-F295 HydrophobicContact CD2-CB 3.66Å; L93-F300 HydrophobicContact CD2-CE2 4.49Å |
| 94 | W | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.8 | -42.9 | 174.3 | 175.3 | 79.2 | 0 | 0 | 0 | 112.3 | E90 E91 L92 I96 R97 G98 S99 N101 L105 W113 L135 V138 | E90-W94 VanDerWaalsContact O-CB 3.31Å; E90-W94 WeakPolarHBondContact O-CB 3.31Å; E90-W94 PolarHBondContact O-N 3.3Å; E91-W94 HydrophobicContact CG-CE3 4.25Å; E91-W94 WeakPolarHBondContact O-CB 3.36Å; E91-W94 PolarHBondContact O-N 3.25Å; E91-W94 VanDerWaalsContact O-N 3.14Å; L92-W94 PolarHBondContact O-N 3.33Å; W94-I96 PolarHBondContact O-N 2.98Å; W94-R97 PolarHBondContact O-N 3.3Å; W94-G98 PolarHBondContact O-N 3.31Å; W94-S99 VanDerWaalsContact CD1-CB 3.45Å; W94-S99 VanDerWaalsContact CE2-O 3.31Å; W94-S99 VanDerWaalsContact CZ2-O 3.24Å; W94-S99 WeakPolarHBondContact CZ2-O 3.43Å; W94-S99 VanDerWaalsContact NE1-CB 3.26Å; W94-S99 PolarHBondContact NE1-OG 3.24Å; W94-S99 PolarHBondContact O-N 3.44Å; W94-N101 PolarHBondContact NE1-O 2.9Å; W94-N101 VanDerWaalsContact NE1-O 3.11Å; W94-L105 HydrophobicContact CB-CD2 3.8Å; W94-L105 HydrophobicContact CB-CG 4.29Å; W94-L105 HydrophobicContact CD2-CD1 3.85Å; W94-L105 HydrophobicContact CD2-CG 4.19Å; W94-L105 HydrophobicContact CE3-CD1 3.78Å; W94-L105 HydrophobicContact CG-CD1 4.18Å; W94-L105 HydrophobicContact CG-CD2 4.08Å; W94-L105 HydrophobicContact CG-CG 4.02Å; W94-L105 HydrophobicContact CZ3-CD1 4.2Å; W94-W113 AromaticContact CZ3-NE1 3.95Å; W94-L135 HydrophobicContact CH2-CD1 3.53Å; W94-L135 HydrophobicContact CZ2-CD1 3.98Å; W94-V138 HydrophobicContact CH2-CG2 3.99Å |
| 95 | F | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 0% | 0.004 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.1 | -44.9 | 170.6 | -65.3 | -27.9 | 0 | 0 | 0 | 112.4 | E91 L92 R97 G98 W113 Y139 G140 W143 | E91-F95 HydrophobicContact CG-CD2 4.45Å; E91-F95 HydrophobicContact CG-CE1 4.12Å; E91-F95 HydrophobicContact CG-CE2 3.87Å; E91-F95 HydrophobicContact CG-CZ 3.68Å; E91-F95 WeakPolarHBondContact O-CG 3.44Å; E91-F95 PolarHBondContact O-N 3.27Å; L92-F95 PolarHBondContact O-N 2.82Å; F95-R97 VanDerWaalsContact C-N 3.3Å; F95-R97 PolarHBondContact O-N 3.05Å; F95-G98 PolarHBondContact O-N 3.1Å; F95-W113 HydrophobicContact CZ-CZ2 4.43Å; F95-Y139 HydrophobicContact CD1-CD2 4.46Å; F95-Y139 HydrophobicContact CD1-CG 4.45Å; F95-Y139 VanDerWaalsContact CE1-CB 3.5Å; F95-Y139 AromaticContact CE1-CD2 3.48Å; F95-Y139 HydrophobicContact CE1-CD2 3.48Å; F95-Y139 VanDerWaalsContact CE1-CD2 3.48Å; F95-Y139 HydrophobicContact CE1-CE2 4.47Å; F95-Y139 AromaticContact CE1-CG 3.85Å; F95-Y139 HydrophobicContact CE1-CG 3.85Å; F95-Y139 HydrophobicContact CE2-CD2 4.47Å; F95-Y139 AromaticContact CZ-CD2 3.51Å; F95-Y139 HydrophobicContact CZ-CD2 3.51Å; F95-Y139 HydrophobicContact CZ-CE2 4.15Å; F95-Y139 AromaticContact CZ-CG 3.93Å; F95-Y139 HydrophobicContact CZ-CG 3.93Å; F95-G140 VanDerWaalsContact O-CA 3.27Å; F95-G140 WeakPolarHBondContact O-CA 3.43Å; F95-W143 HydrophobicContact CB-CE3 4.12Å; F95-W143 HydrophobicContact CB-CH2 4.37Å; F95-W143 HydrophobicContact CB-CZ3 4.02Å; F95-W143 HydrophobicContact CD2-CH2 4.35Å |
| 96 | I | 98.7 | Very high | 98.1 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60 | -41.7 | 179 | -72.4 | 165.7 | 0 | 0 | 0 | 110.5 | L92 L93 W94 G98 W143 R144 L165 L237 M240 I292 | L92-I96 HydrophobicContact CD1-CD1 4.43Å; L92-I96 HydrophobicContact CG-CD1 4.05Å; L92-I96 WeakPolarHBondContact O-CG1 3.46Å; L92-I96 PolarHBondContact O-N 3.29Å; L93-I96 PolarHBondContact O-N 3.45Å; W94-I96 PolarHBondContact O-N 2.98Å; I96-G98 PolarHBondContact O-N 3.32Å; I96-G98 VanDerWaalsContact O-N 3.14Å; I96-W143 HydrophobicContact CG1-CZ3 4.45Å; I96-R144 WeakPolarHBondContact O-CD 3.11Å; I96-R144 WeakPolarHBondContact O-CG 3.3Å; I96-R144 PolarHBondContact O-NH1 3.31Å; I96-L165 HydrophobicContact CB-CD2 4.34Å; I96-L165 HydrophobicContact CG1-CD2 4.04Å; I96-L165 HydrophobicContact CG2-CD2 4.06Å; I96-L237 HydrophobicContact CD1-CD1 4.39Å; I96-M240 HydrophobicContact CD1-CE 3.26Å; I96-M240 HydrophobicContact CD1-SD 4.07Å; I96-I292 HydrophobicContact CD1-CD1 4.37Å; I96-I292 HydrophobicContact CD1-CG1 4.18Å; I96-I292 HydrophobicContact CG2-CG1 4.08Å; I96-I292 HydrophobicContact CG2-CG2 4.38Å |
| 97 | R | 97.9 | Very high | 98.1 | Very high | 100 Ų | 100 | 24.7 Ų | 24.7 | 38% | 0.377 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -8.6 | 176 | -71.2 | -166.1 | -51.6 | -75.2 | 2 | 114.5 | L93 W94 F95 S99 E104 | L93-R97 VanDerWaalsContact C-NH1 3.32Å; L93-R97 WeakPolarHBondContact O-CG 3.43Å; L93-R97 PolarHBondContact O-N 2.95Å; L93-R97 PolarHBondContact O-NH1 2.81Å; L93-R97 VanDerWaalsContact O-NH1 3.12Å; W94-R97 PolarHBondContact O-N 3.3Å; F95-R97 VanDerWaalsContact C-N 3.3Å; F95-R97 PolarHBondContact O-N 3.05Å; R97-S99 PolarHBondContact O-N 2.97Å; R97-E104 IonicContact CZ-OE2 2.73Å; R97-E104 IonicContact NE-OE2 3.72Å; R97-E104 IonicContact NH2-OE2 3.67Å; R97-E104 PolarHBondContact NH2-OE2 2.97Å |
| 98 | G | 98.2 | Very high | 98 | Very high | 7 Ų | 7 | 27.9 Ų | 27.9 | 7% | 0.072 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 5.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | W94 F95 I96 G140 F141 | W94-G98 PolarHBondContact O-N 3.31Å; F95-G98 PolarHBondContact O-N 3.1Å; I96-G98 PolarHBondContact O-N 3.32Å; I96-G98 VanDerWaalsContact O-N 3.14Å; G98-G140 WeakPolarHBondContact CA-O 3.33Å; G98-F141 PolarHBondContact O-N 3.41Å |
| 99 | S | 98 | Very high | 97.9 | Very high | 15 Ų | 15 | 33.3 Ų | 33.3 | 11% | 0.105 | 16% | 0.161 | C | C | . | . | trans | -71.5 | 149.7 | -173.6 | 177.8 | 0 | 0 | 0 | 0 | 112.2 | W94 R97 N101 E104 | W94-S99 VanDerWaalsContact CD1-CB 3.45Å; W94-S99 VanDerWaalsContact CE2-O 3.31Å; W94-S99 VanDerWaalsContact CZ2-O 3.24Å; W94-S99 WeakPolarHBondContact CZ2-O 3.43Å; W94-S99 VanDerWaalsContact NE1-CB 3.26Å; W94-S99 PolarHBondContact NE1-OG 3.24Å; W94-S99 PolarHBondContact O-N 3.44Å; R97-S99 PolarHBondContact O-N 2.97Å; S99-N101 PolarHBondContact OG-N 3.49Å; S99-E104 WeakPolarHBondContact CB-OE1 3.16Å; S99-E104 VanDerWaalsContact OG-CD 3.26Å; S99-E104 PolarHBondContact OG-OE1 2.67Å | ||
| 100 | T | 98.1 | Very high | 97.9 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 3% | 0.025 | 16% | 0.161 | C | C | . | . | trans | -124.2 | 3.1 | 176.9 | 59 | 0 | 0 | 0 | 0 | 112.4 | L135 G136 V138 F141 Y150 C153 | T100-L135 WeakPolarHBondContact O-CB 3.45Å; T100-L135 PolarHBondContact O-N 2.89Å; T100-L135 VanDerWaalsContact O-N 3.08Å; T100-G136 VanDerWaalsContact CB-O 3.22Å; T100-G136 WeakPolarHBondContact CB-O 3.42Å; T100-G136 WeakPolarHBondContact CG2-O 3.29Å; T100-V138 HydrophobicContact CG2-CG2 4.21Å; T100-F141 HydrophobicContact CG2-CB 3.64Å; T100-Y150 HydrophobicContact CG2-CE2 4.02Å; T100-Y150 PolarHBondContact OG1-OH 2.99Å; T100-C153 WeakPolarHBondContact OG1-CA 3.32Å; T100-C153 VanDerWaalsContact OG1-CB 3.27Å; T100-C153 WeakPolarHBondContact OG1-CB 3.48Å | ||
| 101 | N | 98.1 | Very high | 97.7 | Very high | 14 Ų | 14 | 37.1 Ų | 37.1 | 8% | 0.075 | 18% | 0.179 | C | C | . | . | B | Isolated β-bridge | trans | -90.1 | 106.7 | 177.5 | -176.6 | 6.4 | 0 | 0 | 0 | 110.4 | W94 S99 R103 E104 G133 C153 Q154 | W94-N101 PolarHBondContact NE1-O 2.9Å; W94-N101 VanDerWaalsContact NE1-O 3.11Å; S99-N101 PolarHBondContact OG-N 3.49Å; N101-R103 PolarHBondContact O-N 3.14Å; N101-R103 VanDerWaalsContact OD1-CB 3.32Å; N101-R103 WeakPolarHBondContact OD1-CB 3.33Å; N101-R103 PolarHBondContact OD1-N 3.48Å; N101-R103 PolarHBondContact OD1-NE 3.19Å; N101-E104 HydrophobicContact CB-CG 4.5Å; N101-E104 PolarHBondContact O-N 2.87Å; N101-G133 WeakPolarHBondContact CA-O 3.49Å; N101-C153 HydrophobicContact CB-CB 3.94Å; N101-Q154 PolarHBondContact ND2-NE2 2.84Å |
| 102 | S | 97.7 | Very high | 97.3 | Very high | 5 Ų | 5 | 39.5 Ų | 39.5 | 4% | 0.035 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -20.1 | -179.6 | 67.1 | 0 | 0 | 0 | 0 | 113.7 | E104 L105 A106 G133 | S102-E104 PolarHBondContact O-N 2.98Å; S102-L105 WeakPolarHBondContact O-CB 3.28Å; S102-L105 PolarHBondContact O-N 2.87Å; S102-A106 PolarHBondContact O-N 3.19Å; S102-G133 PolarHBondContact N-O 3.39Å; S102-G133 WeakPolarHBondContact OG-CA 3.32Å; S102-G133 PolarHBondContact OG-O 2.93Å |
| 103 | R | 97.2 | Very high | 97.2 | Very high | 92 Ų | 92 | 40.2 Ų | 40.2 | 35% | 0.347 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.9 | -31.3 | 179.2 | -62.9 | 175.1 | -72 | -177.4 | -9.2 | 112.3 | N101 L105 A106 E107 E131 E132 | N101-R103 PolarHBondContact O-N 3.14Å; N101-R103 VanDerWaalsContact OD1-CB 3.32Å; N101-R103 WeakPolarHBondContact OD1-CB 3.33Å; N101-R103 PolarHBondContact OD1-N 3.48Å; N101-R103 PolarHBondContact OD1-NE 3.19Å; R103-L105 PolarHBondContact O-N 2.79Å; R103-A106 PolarHBondContact O-N 3.5Å; R103-A106 VanDerWaalsContact O-N 3.15Å; R103-E107 WeakPolarHBondContact O-CG 3.27Å; R103-E107 PolarHBondContact O-N 2.78Å; R103-E131 IonicContact CZ-OE2 3.61Å; R103-E131 IonicContact NH1-OE2 2.76Å; R103-E131 IonicContact NH2-OE2 3.6Å; R103-E131 PolarHBondContact NH2-OE2 3.34Å; R103-E132 WeakPolarHBondContact CD-O 3.2Å; R103-E132 PolarHBondContact NE-O 3.37Å |
| 104 | E | 97.6 | Very high | 97 | Very high | 53 Ų | 53 | 43 Ų | 43 | 25% | 0.248 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.9 | -33.2 | 173.6 | -69.9 | -178.2 | -141.8 | 0 | 0 | 112.5 | R97 S99 N101 S102 | R97-E104 IonicContact CZ-OE2 2.73Å; R97-E104 IonicContact NE-OE2 3.72Å; R97-E104 IonicContact NH2-OE2 3.67Å; R97-E104 PolarHBondContact NH2-OE2 2.97Å; S99-E104 WeakPolarHBondContact CB-OE1 3.16Å; S99-E104 VanDerWaalsContact OG-CD 3.26Å; S99-E104 PolarHBondContact OG-OE1 2.67Å; N101-E104 HydrophobicContact CB-CG 4.5Å; N101-E104 PolarHBondContact O-N 2.87Å; S102-E104 PolarHBondContact O-N 2.98Å |
| 105 | L | 98.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -77.5 | -42.3 | 175.7 | -68 | 174.7 | 0 | 0 | 0 | 110.9 | E90 E91 W94 S102 R103 E107 K108 N109 V110 W113 | E90-L105 HydrophobicContact CB-CD2 4.32Å; E91-L105 HydrophobicContact CG-CD1 4.42Å; W94-L105 HydrophobicContact CB-CD2 3.8Å; W94-L105 HydrophobicContact CB-CG 4.29Å; W94-L105 HydrophobicContact CD2-CD1 3.85Å; W94-L105 HydrophobicContact CD2-CG 4.19Å; W94-L105 HydrophobicContact CE3-CD1 3.78Å; W94-L105 HydrophobicContact CG-CD1 4.18Å; W94-L105 HydrophobicContact CG-CD2 4.08Å; W94-L105 HydrophobicContact CG-CG 4.02Å; W94-L105 HydrophobicContact CZ3-CD1 4.2Å; S102-L105 WeakPolarHBondContact O-CB 3.28Å; S102-L105 PolarHBondContact O-N 2.87Å; R103-L105 PolarHBondContact O-N 2.79Å; L105-E107 VanDerWaalsContact C-N 3.32Å; L105-E107 PolarHBondContact O-N 2.83Å; L105-K108 CarbonylContact O-C 3.53Å; L105-K108 WeakPolarHBondContact O-CA 3.4Å; L105-K108 WeakPolarHBondContact O-CB 3.46Å; L105-K108 PolarHBondContact O-N 2.7Å; L105-N109 PolarHBondContact O-N 3.14Å; L105-V110 CarbonylContact C-O 3.17Å; L105-V110 HydrophobicContact CB-CB 4.1Å; L105-V110 HydrophobicContact CB-CG1 4.29Å; L105-V110 WeakPolarHBondContact CB-O 3.47Å; L105-V110 HydrophobicContact CD2-CB 4.46Å; L105-V110 HydrophobicContact CD2-CG1 4.32Å; L105-V110 WeakPolarHBondContact O-CB 3.43Å; L105-V110 PolarHBondContact O-N 2.84Å; L105-W113 HydrophobicContact CD1-CG 4.43Å |
| 106 | A | 96.4 | Very high | 96.6 | Very high | 35 Ų | 35 | 45 Ų | 45 | 29% | 0.289 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.9 | -40.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S102 R103 K108 N109 V110 | S102-A106 PolarHBondContact O-N 3.19Å; R103-A106 PolarHBondContact O-N 3.5Å; R103-A106 VanDerWaalsContact O-N 3.15Å; A106-K108 PolarHBondContact O-N 3.3Å; A106-N109 WeakPolarHBondContact O-CA 3.24Å; A106-N109 PolarHBondContact O-N 2.85Å; A106-V110 PolarHBondContact N-O 3.2Å |
| 107 | E | 97.2 | Very high | 96.5 | Very high | 163 Ų | 163 | 45 Ų | 45 | 76% | 0.762 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -26.7 | 172.9 | -74.9 | 172.1 | -172.7 | 0 | 0 | 112.9 | R103 L105 | R103-E107 WeakPolarHBondContact O-CG 3.27Å; R103-E107 PolarHBondContact O-N 2.78Å; L105-E107 VanDerWaalsContact C-N 3.32Å; L105-E107 PolarHBondContact O-N 2.83Å |
| 108 | K | 96.9 | Very high | 96.5 | Very high | 67 Ų | 67 | 41.6 Ų | 41.6 | 29% | 0.291 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 12.6 | 175.5 | -64.4 | -176.8 | 170.5 | -170.8 | 0 | 113.5 | E90 L105 A106 V110 | E90-K108 HydrophobicContact CG-CD 4.32Å; E90-K108 IonicContact OE1-NZ 3.13Å; E90-K108 VanDerWaalsContact OE2-CD 3.25Å; E90-K108 WeakPolarHBondContact OE2-CD 3.29Å; E90-K108 IonicContact OE2-NZ 3.17Å; E90-K108 PolarHBondContact OE2-NZ 3.26Å; L105-K108 CarbonylContact O-C 3.53Å; L105-K108 WeakPolarHBondContact O-CA 3.4Å; L105-K108 WeakPolarHBondContact O-CB 3.46Å; L105-K108 PolarHBondContact O-N 2.7Å; A106-K108 PolarHBondContact O-N 3.3Å; K108-V110 VanDerWaalsContact C-N 3.31Å |
| 109 | N | 96.4 | Very high | 96.4 | Very high | 114 Ų | 114 | 44.5 Ų | 44.5 | 61% | 0.61 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 36.7 | -177.7 | -161.7 | 30.6 | 0 | 0 | 0 | 113.1 | L105 A106 H111 | L105-N109 PolarHBondContact O-N 3.14Å; A106-N109 WeakPolarHBondContact O-CA 3.24Å; A106-N109 PolarHBondContact O-N 2.85Å; N109-H111 PolarHBondContact OD1-NE2 3.38Å |
| 110 | V | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | -117.8 | 105.1 | 176.1 | 179 | 0 | 0 | 0 | 0 | 109 | F84 E90 L105 A106 K108 F112 | F84-V110 HydrophobicContact CE1-CG2 4.26Å; F84-V110 HydrophobicContact CZ-CG2 4.44Å; E90-V110 HydrophobicContact CB-CG2 4.03Å; E90-V110 HydrophobicContact CG-CG2 4.33Å; L105-V110 CarbonylContact C-O 3.17Å; L105-V110 HydrophobicContact CB-CB 4.1Å; L105-V110 HydrophobicContact CB-CG1 4.29Å; L105-V110 WeakPolarHBondContact CB-O 3.47Å; L105-V110 HydrophobicContact CD2-CB 4.46Å; L105-V110 HydrophobicContact CD2-CG1 4.32Å; L105-V110 WeakPolarHBondContact O-CB 3.43Å; L105-V110 PolarHBondContact O-N 2.84Å; A106-V110 PolarHBondContact N-O 3.2Å; K108-V110 VanDerWaalsContact C-N 3.31Å; V110-F112 HydrophobicContact CG1-CD2 3.43Å; V110-F112 VanDerWaalsContact CG1-CD2 3.43Å; V110-F112 HydrophobicContact CG1-CE2 3.54Å; V110-F112 HydrophobicContact CG1-CG 4.37Å | ||
| 111 | H | 95.3 | Very high | 96.3 | Very high | 86 Ų | 86 | 54.1 Ų | 54.1 | 40% | 0.398 | 26% | 0.264 | S | S | . | . | trans | -109.8 | 23.7 | -164.5 | -58.1 | -60.8 | 0 | 0 | 0 | 114.2 | N109 W113 D114 | N109-H111 PolarHBondContact OD1-NE2 3.38Å; H111-W113 PolarHBondContact O-N 2.96Å; H111-D114 WeakPolarHBondContact CA-OD1 3.45Å; H111-D114 WeakPolarHBondContact CB-OD2 3.14Å; H111-D114 IonicContact CG-OD2 2.67Å; H111-D114 IonicContact ND1-OD1 2.85Å; H111-D114 IonicContact ND1-OD2 3.13Å; H111-D114 PolarHBondContact ND1-OD2 3.11Å | ||
| 112 | F | 90.5 | Very high | 96.3 | Very high | 63 Ų | 63 | 53.4 Ų | 53.4 | 28% | 0.276 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -67.5 | -26.8 | -177 | -55.8 | -55 | 0 | 0 | 0 | 113.3 | F84 V110 F229 | F84-F112 HydrophobicContact CD1-CE1 4.15Å; F84-F112 HydrophobicContact CD1-CE2 4.29Å; F84-F112 AromaticContact CD1-CZ 3.5Å; F84-F112 HydrophobicContact CD1-CZ 3.5Å; F84-F112 VanDerWaalsContact CD1-CZ 3.5Å; F84-F112 HydrophobicContact CE1-CZ 4.17Å; F84-F112 HydrophobicContact CG-CZ 4.45Å; V110-F112 HydrophobicContact CG1-CD2 3.43Å; V110-F112 VanDerWaalsContact CG1-CD2 3.43Å; V110-F112 HydrophobicContact CG1-CE2 3.54Å; V110-F112 HydrophobicContact CG1-CG 4.37Å; F112-F229 HydrophobicContact CD2-CE2 4.17Å; F112-F229 HydrophobicContact CD2-CZ 4.15Å; F112-F229 HydrophobicContact CE1-CE2 4.34Å; F112-F229 HydrophobicContact CE2-CD2 4.42Å; F112-F229 AromaticContact CE2-CE2 3.32Å; F112-F229 HydrophobicContact CE2-CE2 3.32Å; F112-F229 AromaticContact CE2-CZ 3.6Å; F112-F229 HydrophobicContact CE2-CZ 3.6Å; F112-F229 HydrophobicContact CZ-CD2 4.18Å; F112-F229 AromaticContact CZ-CE2 3.41Å; F112-F229 HydrophobicContact CZ-CE2 3.41Å; F112-F229 VanDerWaalsContact CZ-CE2 3.41Å; F112-F229 HydrophobicContact CZ-CZ 4.17Å |
| 113 | W | 95.2 | Very high | 96.3 | Very high | 14 Ų | 14 | 56.4 Ų | 56.4 | 5% | 0.053 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -103.2 | -2.1 | -173.7 | -71.1 | 96.2 | 0 | 0 | 0 | 113.7 | E91 W94 F95 L105 H111 A115 N116 G117 L135 Y139 L196 | E91-W113 PolarHBondContact OE1-NE1 2.88Å; W94-W113 AromaticContact CZ3-NE1 3.95Å; F95-W113 HydrophobicContact CZ-CZ2 4.43Å; L105-W113 HydrophobicContact CD1-CG 4.43Å; H111-W113 PolarHBondContact O-N 2.96Å; W113-A115 VanDerWaalsContact C-N 3.35Å; W113-A115 PolarHBondContact O-N 3.4Å; W113-N116 HydrophobicContact CE3-CB 4.05Å; W113-N116 PolarHBondContact O-N 2.8Å; W113-N116 VanDerWaalsContact O-N 3.16Å; W113-G117 PolarHBondContact O-N 3.04Å; W113-L135 HydrophobicContact CB-CD1 4.05Å; W113-L135 HydrophobicContact CD2-CD1 3.62Å; W113-L135 HydrophobicContact CE3-CD1 3.39Å; W113-L135 HydrophobicContact CE3-CD2 3.83Å; W113-L135 HydrophobicContact CE3-CG 4.22Å; W113-L135 HydrophobicContact CG-CD1 3.92Å; W113-L135 HydrophobicContact CZ3-CD1 4.05Å; W113-L135 HydrophobicContact CZ3-CD2 4.46Å; W113-Y139 HydrophobicContact CH2-CD2 4.11Å; W113-Y139 AromaticContact CH2-CE2 3.7Å; W113-Y139 HydrophobicContact CH2-CE2 3.7Å; W113-Y139 HydrophobicContact CZ2-CD2 4.05Å; W113-Y139 AromaticContact CZ2-CE2 3.8Å; W113-Y139 HydrophobicContact CZ2-CE2 3.8Å; W113-L196 HydrophobicContact CH2-CD2 4.35Å; W113-L196 HydrophobicContact CZ3-CB 4.04Å; W113-L196 HydrophobicContact CZ3-CD2 4.17Å |
| 114 | D | 95.5 | Very high | 96.2 | Very high | 67 Ų | 67 | 55.4 Ų | 55.4 | 36% | 0.358 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57 | -47.4 | -176.4 | -70.6 | 15.6 | 0 | 0 | 0 | 111.8 | H111 N116 G117 S118 | H111-D114 WeakPolarHBondContact CA-OD1 3.45Å; H111-D114 WeakPolarHBondContact CB-OD2 3.14Å; H111-D114 IonicContact CG-OD2 2.67Å; H111-D114 IonicContact ND1-OD1 2.85Å; H111-D114 IonicContact ND1-OD2 3.13Å; H111-D114 PolarHBondContact ND1-OD2 3.11Å; D114-N116 VanDerWaalsContact C-N 3.33Å; D114-N116 PolarHBondContact O-N 2.98Å; D114-G117 PolarHBondContact O-N 3.32Å; D114-S118 WeakPolarHBondContact O-CB 3.29Å; D114-S118 PolarHBondContact O-N 3.4Å |
| 115 | A | 94.2 | Very high | 96.2 | Very high | 28 Ų | 28 | 56.9 Ų | 56.9 | 23% | 0.231 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | W113 S118 F121 L317 | W113-A115 VanDerWaalsContact C-N 3.35Å; W113-A115 PolarHBondContact O-N 3.4Å; A115-S118 PolarHBondContact O-N 3.18Å; A115-S118 PolarHBondContact O-OG 3.22Å; A115-F121 WeakPolarHBondContact O-CB 3.19Å; A115-L317 HydrophobicContact CB-CD1 4.07Å; A115-L317 HydrophobicContact CB-CD2 4.07Å |
| 116 | N | 95 | Very high | 96.1 | Very high | 15 Ų | 15 | 59.4 Ų | 59.4 | 8% | 0.08 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -74 | -25.9 | -179.5 | -62.4 | 111.1 | 0 | 0 | 0 | 113.6 | W113 D114 F121 L135 | W113-N116 HydrophobicContact CE3-CB 4.05Å; W113-N116 PolarHBondContact O-N 2.8Å; W113-N116 VanDerWaalsContact O-N 3.16Å; D114-N116 VanDerWaalsContact C-N 3.33Å; D114-N116 PolarHBondContact O-N 2.98Å; N116-F121 HydrophobicContact CB-CD1 4.4Å; N116-F121 HydrophobicContact CB-CE1 4.27Å; N116-F121 VanDerWaalsContact ND2-CZ 3.33Å; N116-F121 WeakPolarHBondContact ND2-CZ 3.34Å; N116-F121 VanDerWaalsContact O-CD1 3.25Å; N116-F121 WeakPolarHBondContact O-CD1 3.34Å; N116-L135 HydrophobicContact CB-CD2 3.95Å |
| 117 | G | 96.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 59.2 Ų | 59.2 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -89.6 | -10.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | W113 D114 L122 E132 G133 | W113-G117 PolarHBondContact O-N 3.04Å; D114-G117 PolarHBondContact O-N 3.32Å; G117-L122 WeakPolarHBondContact O-CD1 3.37Å; G117-E132 VanDerWaalsContact O-CG 3.29Å; G117-E132 WeakPolarHBondContact O-CG 3.27Å; G117-G133 PolarHBondContact O-N 2.95Å |
| 118 | S | 96.9 | Very high | 96.2 | Very high | 29 Ų | 29 | 55.8 Ų | 55.8 | 20% | 0.203 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -62.3 | 150.5 | -177.4 | 70.2 | 0 | 0 | 0 | 0 | 112.6 | D114 A115 E120 F121 L122 E132 | D114-S118 WeakPolarHBondContact O-CB 3.29Å; D114-S118 PolarHBondContact O-N 3.4Å; A115-S118 PolarHBondContact O-N 3.18Å; A115-S118 PolarHBondContact O-OG 3.22Å; S118-E120 VanDerWaalsContact C-N 3.28Å; S118-E120 PolarHBondContact O-N 2.77Å; S118-F121 PolarHBondContact O-N 2.99Å; S118-F121 WeakPolarHBondContact OG-CB 3.47Å; S118-F121 PolarHBondContact OG-N 2.87Å; S118-L122 WeakPolarHBondContact O-CG 3.26Å; S118-L122 PolarHBondContact O-N 3.4Å; S118-E132 WeakPolarHBondContact CA-OE1 3.34Å |
| 119 | R | 97.2 | Very high | 96.1 | Very high | 67 Ų | 67 | 61.2 Ų | 61.2 | 25% | 0.253 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -53.9 | -45.2 | 176.3 | -174.1 | 65.9 | -85.6 | 148.8 | -7.7 | 112.5 | F121 L122 D123 F127 R130 E132 | R119-F121 PolarHBondContact O-N 2.85Å; R119-L122 VanDerWaalsContact NH2-CB 3.34Å; R119-L122 PolarHBondContact O-N 3.08Å; R119-D123 WeakPolarHBondContact CG-OD2 3.29Å; R119-D123 IonicContact CZ-OD1 3.24Å; R119-D123 IonicContact NE-OD1 3.88Å; R119-D123 PolarHBondContact NE-OD1 2.6Å; R119-D123 IonicContact NE-OD2 2.86Å; R119-D123 PolarHBondContact NE-OD2 3.35Å; R119-D123 VanDerWaalsContact NE-OD2 3.13Å; R119-D123 IonicContact NH2-OD1 2.79Å; R119-D123 PolarHBondContact NH2-OD1 3.22Å; R119-D123 WeakPolarHBondContact O-CB 3.44Å; R119-D123 PolarHBondContact O-N 3.06Å; R119-F127 PolarHBondContact NH2-O 3.24Å; R119-R130 PolarHBondContact NH1-O 3.17Å; R119-E132 PolarHBondContact N-OE1 3.34Å |
| 120 | E | 97 | Very high | 96.1 | Very high | 168 Ų | 168 | 57.7 Ų | 57.7 | 79% | 0.785 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -58.1 | -46.3 | 179.1 | -178.7 | 179.2 | -176.2 | 0 | 0 | 112 | S118 G124 | S118-E120 VanDerWaalsContact C-N 3.28Å; S118-E120 PolarHBondContact O-N 2.77Å; E120-G124 PolarHBondContact O-N 3.07Å |
| 121 | F | 96.1 | Very high | 96.1 | Very high | 53 Ų | 53 | 62.4 Ų | 62.4 | 23% | 0.232 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -70 | -43.3 | -178.5 | -169.9 | -89 | 0 | 0 | 0 | 112 | A115 N116 S118 R119 G124 L125 A195 | A115-F121 WeakPolarHBondContact O-CB 3.19Å; N116-F121 HydrophobicContact CB-CD1 4.4Å; N116-F121 HydrophobicContact CB-CE1 4.27Å; N116-F121 VanDerWaalsContact ND2-CZ 3.33Å; N116-F121 WeakPolarHBondContact ND2-CZ 3.34Å; N116-F121 VanDerWaalsContact O-CD1 3.25Å; N116-F121 WeakPolarHBondContact O-CD1 3.34Å; S118-F121 PolarHBondContact O-N 2.99Å; S118-F121 WeakPolarHBondContact OG-CB 3.47Å; S118-F121 PolarHBondContact OG-N 2.87Å; R119-F121 PolarHBondContact O-N 2.85Å; F121-G124 PolarHBondContact O-N 3.37Å; F121-L125 HydrophobicContact CD1-CD1 3.97Å; F121-L125 HydrophobicContact CE1-CD1 3.55Å; F121-L125 HydrophobicContact CE1-CG 4.3Å; F121-L125 HydrophobicContact CZ-CD1 4.35Å; F121-L125 PolarHBondContact O-N 2.99Å; F121-A195 HydrophobicContact CE1-CB 4.47Å; F121-A195 WeakPolarHBondContact CE1-O 3.29Å |
| 122 | L | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.3 | -41 | 177.4 | -67.9 | 177.5 | 0 | 0 | 0 | 111.9 | G117 S118 R119 L125 G126 F127 E131 A195 | G117-L122 WeakPolarHBondContact O-CD1 3.37Å; S118-L122 WeakPolarHBondContact O-CG 3.26Å; S118-L122 PolarHBondContact O-N 3.4Å; R119-L122 VanDerWaalsContact NH2-CB 3.34Å; R119-L122 PolarHBondContact O-N 3.08Å; L122-L125 PolarHBondContact O-N 2.91Å; L122-G126 PolarHBondContact O-N 3.33Å; L122-F127 HydrophobicContact CB-CB 4.34Å; L122-F127 HydrophobicContact CD2-CD2 4.11Å; L122-F127 WeakPolarHBondContact O-CB 3.1Å; L122-F127 PolarHBondContact O-N 3.5Å; L122-E131 WeakPolarHBondContact CD1-O 3.42Å; L122-A195 HydrophobicContact CD2-CB 4.01Å |
| 123 | D | 97.6 | Very high | 96.5 | Very high | 68 Ų | 68 | 60.6 Ų | 60.6 | 36% | 0.364 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 174.3 | -71.2 | -18 | 0 | 0 | 0 | 111.8 | R119 L125 G126 | R119-D123 WeakPolarHBondContact CG-OD2 3.29Å; R119-D123 IonicContact CZ-OD1 3.24Å; R119-D123 IonicContact NE-OD1 3.88Å; R119-D123 PolarHBondContact NE-OD1 2.6Å; R119-D123 IonicContact NE-OD2 2.86Å; R119-D123 PolarHBondContact NE-OD2 3.35Å; R119-D123 VanDerWaalsContact NE-OD2 3.13Å; R119-D123 IonicContact NH2-OD1 2.79Å; R119-D123 PolarHBondContact NH2-OD1 3.22Å; R119-D123 WeakPolarHBondContact O-CB 3.44Å; R119-D123 PolarHBondContact O-N 3.06Å; D123-L125 PolarHBondContact O-N 3.44Å; D123-G126 PolarHBondContact O-N 3.08Å |
| 124 | G | 96.7 | Very high | 96.7 | Very high | 70 Ų | 70 | 60 Ų | 60 | 72% | 0.722 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -59.6 | -25.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | E120 F121 | E120-G124 PolarHBondContact O-N 3.07Å; F121-G124 PolarHBondContact O-N 3.37Å |
| 125 | L | 96.1 | Very high | 96.8 | Very high | 84 Ų | 84 | 56.8 Ų | 56.8 | 44% | 0.44 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -3.7 | 173.4 | -64.5 | 179.2 | 0 | 0 | 0 | 113.9 | F121 L122 D123 F127 A195 | F121-L125 HydrophobicContact CD1-CD1 3.97Å; F121-L125 HydrophobicContact CE1-CD1 3.55Å; F121-L125 HydrophobicContact CE1-CG 4.3Å; F121-L125 HydrophobicContact CZ-CD1 4.35Å; F121-L125 PolarHBondContact O-N 2.99Å; L122-L125 PolarHBondContact O-N 2.91Å; D123-L125 PolarHBondContact O-N 3.44Å; L125-F127 HydrophobicContact CB-CD2 3.74Å; L125-F127 HydrophobicContact CB-CE2 3.78Å; L125-F127 HydrophobicContact CB-CG 4.41Å; L125-F127 HydrophobicContact CB-CZ 4.48Å; L125-F127 HydrophobicContact CD1-CD2 4.17Å; L125-F127 HydrophobicContact CD1-CE2 3.84Å; L125-F127 HydrophobicContact CG-CE2 4.48Å; L125-A195 HydrophobicContact CD1-CB 4.47Å; L125-A195 WeakPolarHBondContact CD1-O 3.24Å |
| 126 | G | 97.5 | Very high | 97 | Very high | 54 Ų | 54 | 55.5 Ų | 55.5 | 56% | 0.557 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | 15.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L122 D123 T128 | L122-G126 PolarHBondContact O-N 3.33Å; D123-G126 PolarHBondContact O-N 3.08Å; G126-T128 VanDerWaalsContact C-N 3.27Å; G126-T128 PolarHBondContact O-N 3.1Å |
| 127 | F | 97.5 | Very high | 97.2 | Very high | 32 Ų | 32 | 54.8 Ų | 54.8 | 14% | 0.14 | 30% | 0.298 | C | S | . | . | trans | -90.4 | 49.5 | 177.8 | -58.5 | -40.8 | 0 | 0 | 0 | 112.6 | R119 L122 L125 E129 R130 R192 | R119-F127 PolarHBondContact NH2-O 3.24Å; L122-F127 HydrophobicContact CB-CB 4.34Å; L122-F127 HydrophobicContact CD2-CD2 4.11Å; L122-F127 WeakPolarHBondContact O-CB 3.1Å; L122-F127 PolarHBondContact O-N 3.5Å; L125-F127 HydrophobicContact CB-CD2 3.74Å; L125-F127 HydrophobicContact CB-CE2 3.78Å; L125-F127 HydrophobicContact CB-CG 4.41Å; L125-F127 HydrophobicContact CB-CZ 4.48Å; L125-F127 HydrophobicContact CD1-CD2 4.17Å; L125-F127 HydrophobicContact CD1-CE2 3.84Å; L125-F127 HydrophobicContact CG-CE2 4.48Å; F127-E129 PolarHBondContact O-N 2.79Å; F127-R130 HydrophobicContact CB-CB 4.33Å; F127-R130 HydrophobicContact CB-CG 3.99Å; F127-R130 PolarHBondContact O-N 3.26Å; F127-R130 VanDerWaalsContact O-N 3.15Å; F127-R192 VanDerWaalsContact CZ-O 3.27Å; F127-R192 WeakPolarHBondContact CZ-O 3.14Å | ||
| 128 | T | 96.3 | Very high | 97.3 | Very high | 91 Ų | 91 | 54.7 Ų | 54.7 | 56% | 0.558 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -24.7 | -172.6 | 54.9 | 0 | 0 | 0 | 0 | 114.3 | G126 | G126-T128 VanDerWaalsContact C-N 3.27Å; G126-T128 PolarHBondContact O-N 3.1Å |
| 129 | E | 95.4 | Very high | 97.3 | Very high | 181 Ų | 181 | 53.7 Ų | 53.7 | 85% | 0.846 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -9 | 180 | -61.2 | -64.7 | 166.6 | 0 | 0 | 113.6 | F127 | F127-E129 PolarHBondContact O-N 2.79Š|
| 130 | R | 96.7 | Very high | 97.3 | Very high | 40 Ų | 40 | 50.5 Ų | 50.5 | 15% | 0.151 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -77.8 | 148.5 | -179.2 | -71.4 | -168.4 | -169.9 | 171.8 | 1.3 | 111.6 | R119 F127 D134 K193 | R119-R130 PolarHBondContact NH1-O 3.17Å; F127-R130 HydrophobicContact CB-CB 4.33Å; F127-R130 HydrophobicContact CB-CG 3.99Å; F127-R130 PolarHBondContact O-N 3.26Å; F127-R130 VanDerWaalsContact O-N 3.15Å; R130-D134 HydrophobicContact CB-CB 4.16Å; R130-K193 PolarHBondContact NH1-O 2.6Å; R130-K193 PolarHBondContact NH2-O 2.97Å |
| 131 | E | 96.8 | Very high | 97.4 | Very high | 99 Ų | 99 | 42.6 Ų | 42.6 | 46% | 0.463 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -65.2 | 151.1 | 167.1 | -62.8 | -169.4 | 170.3 | 0 | 0 | 111.5 | R103 L122 G133 D134 | R103-E131 IonicContact CZ-OE2 3.61Å; R103-E131 IonicContact NH1-OE2 2.76Å; R103-E131 IonicContact NH2-OE2 3.6Å; R103-E131 PolarHBondContact NH2-OE2 3.34Å; L122-E131 WeakPolarHBondContact CD1-O 3.42Å; E131-G133 PolarHBondContact O-N 3.28Å; E131-D134 VanDerWaalsContact O-CB 3.29Å; E131-D134 WeakPolarHBondContact O-CB 3.36Å; E131-D134 PolarHBondContact O-N 2.84Å; E131-D134 VanDerWaalsContact O-N 3.1Å |
| 132 | E | 97.7 | Very high | 97.5 | Very high | 109 Ų | 109 | 40 Ų | 40 | 51% | 0.509 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 131.2 | 170.3 | -170.7 | 167.6 | -155.6 | 0 | 0 | 110.2 | R103 G117 S118 R119 | R103-E132 WeakPolarHBondContact CD-O 3.2Å; R103-E132 PolarHBondContact NE-O 3.37Å; G117-E132 VanDerWaalsContact O-CG 3.29Å; G117-E132 WeakPolarHBondContact O-CG 3.27Å; S118-E132 WeakPolarHBondContact CA-OE1 3.34Å; R119-E132 PolarHBondContact N-OE1 3.34Å |
| 133 | G | 97.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | -5.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | N101 S102 G117 E131 L135 | N101-G133 WeakPolarHBondContact CA-O 3.49Å; S102-G133 PolarHBondContact N-O 3.39Å; S102-G133 WeakPolarHBondContact OG-CA 3.32Å; S102-G133 PolarHBondContact OG-O 2.93Å; G117-G133 PolarHBondContact O-N 2.95Å; E131-G133 PolarHBondContact O-N 3.28Å; G133-L135 PolarHBondContact O-N 3.2Å |
| 134 | D | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.011 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -76.7 | 100.1 | 171.5 | -173.4 | -33.3 | 0 | 0 | 0 | 110.6 | R130 E131 G136 Y150 D152 C153 | R130-D134 HydrophobicContact CB-CB 4.16Å; E131-D134 VanDerWaalsContact O-CB 3.29Å; E131-D134 WeakPolarHBondContact O-CB 3.36Å; E131-D134 PolarHBondContact O-N 2.84Å; E131-D134 VanDerWaalsContact O-N 3.1Å; D134-G136 PolarHBondContact O-N 2.94Å; D134-G136 WeakPolarHBondContact OD1-CA 3.49Å; D134-G136 PolarHBondContact OD1-N 2.94Å; D134-Y150 VanDerWaalsContact CG-OH 3.23Å; D134-Y150 WeakPolarHBondContact OD1-CE1 3.48Å; D134-Y150 PolarHBondContact OD1-OH 2.77Å; D134-Y150 PolarHBondContact OD2-OH 3.29Å; D134-D152 WeakPolarHBondContact OD2-CA 3.13Å; D134-C153 HydrophobicContact CB-CB 4.09Å; D134-C153 PolarHBondContact OD2-N 2.93Å |
| 135 | L | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -78.9 | -1 | -177.3 | -62.9 | 172 | 0 | 0 | 0 | 113.5 | W94 T100 W113 N116 G133 V138 A195 | W94-L135 HydrophobicContact CH2-CD1 3.53Å; W94-L135 HydrophobicContact CZ2-CD1 3.98Å; T100-L135 WeakPolarHBondContact O-CB 3.45Å; T100-L135 PolarHBondContact O-N 2.89Å; T100-L135 VanDerWaalsContact O-N 3.08Å; W113-L135 HydrophobicContact CB-CD1 4.05Å; W113-L135 HydrophobicContact CD2-CD1 3.62Å; W113-L135 HydrophobicContact CE3-CD1 3.39Å; W113-L135 HydrophobicContact CE3-CD2 3.83Å; W113-L135 HydrophobicContact CE3-CG 4.22Å; W113-L135 HydrophobicContact CG-CD1 3.92Å; W113-L135 HydrophobicContact CZ3-CD1 4.05Å; W113-L135 HydrophobicContact CZ3-CD2 4.46Å; N116-L135 HydrophobicContact CB-CD2 3.95Å; G133-L135 PolarHBondContact O-N 3.2Å; L135-V138 HydrophobicContact CB-CG1 4.01Å; L135-V138 HydrophobicContact CB-CG2 3.91Å; L135-V138 HydrophobicContact CD1-CG2 4.39Å; L135-V138 VanDerWaalsContact O-CG1 3.28Å; L135-V138 WeakPolarHBondContact O-CG1 3.32Å; L135-A195 HydrophobicContact CB-CB 4.32Å; L135-A195 HydrophobicContact CD2-CB 3.99Å; L135-A195 WeakPolarHBondContact O-CB 3.45Å; L135-A195 PolarHBondContact O-N 2.62Å | ||
| 136 | G | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | 72.3 | -168.3 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T100 D134 V138 Y150 | T100-G136 VanDerWaalsContact CB-O 3.22Å; T100-G136 WeakPolarHBondContact CB-O 3.42Å; T100-G136 WeakPolarHBondContact CG2-O 3.29Å; D134-G136 PolarHBondContact O-N 2.94Å; D134-G136 WeakPolarHBondContact OD1-CA 3.49Å; D134-G136 PolarHBondContact OD1-N 2.94Å; G136-V138 PolarHBondContact O-N 2.87Å; G136-Y150 VanDerWaalsContact CA-CZ 3.49Å | ||
| 137 | P | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -76.2 | 61.2 | -174.5 | 32.9 | -37 | 0 | 0 | 0 | 112.5 | F141 Q142 Y150 D190 K193 M194 | P137-F141 HydrophobicContact CB-CB 4.18Å; P137-F141 HydrophobicContact CB-CD1 3.29Å; P137-F141 HydrophobicContact CB-CD2 4.45Å; P137-F141 HydrophobicContact CB-CE1 3.65Å; P137-F141 HydrophobicContact CB-CG 3.72Å; P137-F141 HydrophobicContact CB-CZ 4.36Å; P137-Q142 WeakPolarHBondContact O-CG 3.22Å; P137-Q142 PolarHBondContact O-NE2 3.08Å; P137-Y150 HydrophobicContact CB-CD2 3.65Å; P137-Y150 HydrophobicContact CB-CE2 4.33Å; P137-Y150 HydrophobicContact CB-CG 3.93Å; P137-Y150 HydrophobicContact CG-CD2 4.28Å; P137-Y150 HydrophobicContact CG-CG 4.08Å; P137-D190 HydrophobicContact CG-CB 3.9Å; P137-K193 WeakPolarHBondContact CD-O 3.38Å; P137-K193 HydrophobicContact CG-CB 3.79Å; P137-K193 HydrophobicContact CG-CD 4.41Å; P137-M194 HydrophobicContact CG-CG 4.21Å; P137-M194 WeakPolarHBondContact O-CE 3.09Å |
| 138 | V | 98 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -75.8 | -160.5 | 178.5 | -65.7 | 0 | 0 | 0 | 0 | 111.6 | W94 T100 L135 G136 G140 F141 Q142 M194 | W94-V138 HydrophobicContact CH2-CG2 3.99Å; T100-V138 HydrophobicContact CG2-CG2 4.21Å; L135-V138 HydrophobicContact CB-CG1 4.01Å; L135-V138 HydrophobicContact CB-CG2 3.91Å; L135-V138 HydrophobicContact CD1-CG2 4.39Å; L135-V138 VanDerWaalsContact O-CG1 3.28Å; L135-V138 WeakPolarHBondContact O-CG1 3.32Å; G136-V138 PolarHBondContact O-N 2.87Å; V138-G140 PolarHBondContact O-N 2.88Å; V138-F141 PolarHBondContact O-N 2.74Å; V138-Q142 WeakPolarHBondContact O-CG 3.27Å; V138-Q142 PolarHBondContact O-N 2.68Å; V138-M194 HydrophobicContact CG1-CB 4.05Å; V138-M194 HydrophobicContact CG1-CG 4.24Å | ||
| 139 | Y | 98.3 | Very high | 97.9 | Very high | 9 Ų | 9 | 32.3 Ų | 32.3 | 4% | 0.035 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -50.2 | -52.8 | -167.3 | -56.8 | -78.8 | 0 | 0 | 0 | 114.8 | F95 W113 F141 Q142 W143 A185 P198 C199 H200 | F95-Y139 HydrophobicContact CD1-CD2 4.46Å; F95-Y139 HydrophobicContact CD1-CG 4.45Å; F95-Y139 VanDerWaalsContact CE1-CB 3.5Å; F95-Y139 AromaticContact CE1-CD2 3.48Å; F95-Y139 HydrophobicContact CE1-CD2 3.48Å; F95-Y139 VanDerWaalsContact CE1-CD2 3.48Å; F95-Y139 HydrophobicContact CE1-CE2 4.47Å; F95-Y139 AromaticContact CE1-CG 3.85Å; F95-Y139 HydrophobicContact CE1-CG 3.85Å; F95-Y139 HydrophobicContact CE2-CD2 4.47Å; F95-Y139 AromaticContact CZ-CD2 3.51Å; F95-Y139 HydrophobicContact CZ-CD2 3.51Å; F95-Y139 HydrophobicContact CZ-CE2 4.15Å; F95-Y139 AromaticContact CZ-CG 3.93Å; F95-Y139 HydrophobicContact CZ-CG 3.93Å; W113-Y139 HydrophobicContact CH2-CD2 4.11Å; W113-Y139 AromaticContact CH2-CE2 3.7Å; W113-Y139 HydrophobicContact CH2-CE2 3.7Å; W113-Y139 HydrophobicContact CZ2-CD2 4.05Å; W113-Y139 AromaticContact CZ2-CE2 3.8Å; W113-Y139 HydrophobicContact CZ2-CE2 3.8Å; Y139-F141 PolarHBondContact O-N 3.19Å; Y139-Q142 CarbonylContact O-C 3.52Å; Y139-Q142 PolarHBondContact O-N 3.36Å; Y139-Q142 VanDerWaalsContact O-N 3.11Å; Y139-W143 VanDerWaalsContact O-CG 3.31Å; Y139-W143 PolarHBondContact O-N 3.21Å; Y139-A185 HydrophobicContact CD1-CB 4.07Å; Y139-P198 HydrophobicContact CD1-CB 3.89Å; Y139-P198 HydrophobicContact CD1-CG 4.02Å; Y139-P198 VanDerWaalsContact CE1-CA 3.41Å; Y139-P198 HydrophobicContact CE1-CB 3.33Å; Y139-P198 HydrophobicContact CE1-CG 3.86Å; Y139-P198 WeakPolarHBondContact OH-CA 3.42Å; Y139-C199 PolarHBondContact OH-N 2.98Å; Y139-H200 AromaticContact CD1-CE1 3.2Å; Y139-H200 WeakPolarHBondContact CD1-CE1 3.46Å; Y139-H200 AromaticContact CD1-ND1 3.38Å; Y139-H200 WeakPolarHBondContact CD1-ND1 3.43Å; Y139-H200 AromaticContact CE1-CE1 2.95Å; Y139-H200 WeakPolarHBondContact CE1-CE1 3.14Å; Y139-H200 AromaticContact CE1-CG 3.83Å; Y139-H200 AromaticContact CE1-ND1 3.02Å; Y139-H200 WeakPolarHBondContact CE1-ND1 3.32Å; Y139-H200 AromaticContact CE1-NE2 3.67Å; Y139-H200 AromaticContact CE2-CE1 3.83Å; Y139-H200 AromaticContact CG-CE1 3.73Å; Y139-H200 AromaticContact CZ-CE1 3.28Å; Y139-H200 AromaticContact CZ-ND1 3.73Å; Y139-H200 AromaticContact CZ-NE2 3.53Å |
| 140 | G | 97.4 | Very high | 98 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.2 | -48.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F95 G98 V138 Q142 W143 R144 | F95-G140 VanDerWaalsContact O-CA 3.27Å; F95-G140 WeakPolarHBondContact O-CA 3.43Å; G98-G140 WeakPolarHBondContact CA-O 3.33Å; V138-G140 PolarHBondContact O-N 2.88Å; G140-Q142 VanDerWaalsContact C-N 3.34Å; G140-Q142 PolarHBondContact O-N 2.74Å; G140-W143 WeakPolarHBondContact O-CB 3.27Å; G140-W143 PolarHBondContact O-N 2.7Å; G140-R144 PolarHBondContact O-N 2.88Å |
| 141 | F | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 0% | 0.004 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59 | -44.1 | 175.3 | -174.2 | -86.7 | 0 | 0 | 0 | 112.2 | G98 T100 P137 V138 Y139 W143 R144 H145 S146 A148 Y150 Y157 | G98-F141 PolarHBondContact O-N 3.41Å; T100-F141 HydrophobicContact CG2-CB 3.64Å; P137-F141 HydrophobicContact CB-CB 4.18Å; P137-F141 HydrophobicContact CB-CD1 3.29Å; P137-F141 HydrophobicContact CB-CD2 4.45Å; P137-F141 HydrophobicContact CB-CE1 3.65Å; P137-F141 HydrophobicContact CB-CG 3.72Å; P137-F141 HydrophobicContact CB-CZ 4.36Å; V138-F141 PolarHBondContact O-N 2.74Å; Y139-F141 PolarHBondContact O-N 3.19Å; F141-W143 PolarHBondContact O-N 2.94Å; F141-R144 PolarHBondContact O-N 3.28Å; F141-H145 HydrophobicContact CD1-CB 4.39Å; F141-H145 HydrophobicContact CD2-CB 3.88Å; F141-H145 HydrophobicContact CE1-CB 4.33Å; F141-H145 WeakPolarHBondContact CE1-O 3.45Å; F141-H145 HydrophobicContact CE2-CB 3.78Å; F141-H145 HydrophobicContact CG-CB 4.2Å; F141-H145 HydrophobicContact CZ-CB 4.04Å; F141-H145 CarbonylContact O-C 3.52Å; F141-H145 VanDerWaalsContact O-C 3.28Å; F141-H145 VanDerWaalsContact O-CA 3.29Å; F141-H145 WeakPolarHBondContact O-CA 3.36Å; F141-H145 PolarHBondContact O-N 2.83Å; F141-S146 PolarHBondContact O-N 2.77Å; F141-A148 HydrophobicContact CE2-CB 4.43Å; F141-A148 HydrophobicContact CZ-CB 3.77Å; F141-Y150 AromaticContact CD2-CD2 3.72Å; F141-Y150 HydrophobicContact CD2-CD2 3.72Å; F141-Y150 HydrophobicContact CD2-CE2 4.11Å; F141-Y150 AromaticContact CE2-CD2 3.63Å; F141-Y150 HydrophobicContact CE2-CD2 3.63Å; F141-Y150 HydrophobicContact CE2-CE2 4.38Å; F141-Y150 HydrophobicContact CG-CD2 4.23Å; F141-Y150 HydrophobicContact CZ-CD2 4.05Å; F141-Y157 HydrophobicContact CD2-CD2 4.18Å; F141-Y157 HydrophobicContact CD2-CE2 4.21Å; F141-Y157 HydrophobicContact CD2-CG 4.42Å; F141-Y157 AromaticContact CE2-CD1 3.7Å; F141-Y157 HydrophobicContact CE2-CD1 3.7Å; F141-Y157 AromaticContact CE2-CD2 3.91Å; F141-Y157 HydrophobicContact CE2-CD2 3.91Å; F141-Y157 AromaticContact CE2-CE1 3.7Å; F141-Y157 HydrophobicContact CE2-CE1 3.7Å; F141-Y157 AromaticContact CE2-CE2 3.91Å; F141-Y157 HydrophobicContact CE2-CE2 3.91Å; F141-Y157 AromaticContact CE2-CG 3.8Å; F141-Y157 HydrophobicContact CE2-CG 3.8Å; F141-Y157 AromaticContact CE2-CZ 3.79Å; F141-Y157 HydrophobicContact CZ-CD1 4.4Å; F141-Y157 HydrophobicContact CZ-CE1 4.36Å |
| 142 | Q | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.5 | -26.8 | 177.2 | -60.1 | -56 | -37.8 | 0 | 0 | 112.3 | P137 V138 Y139 G140 S146 Q164 A185 N187 M194 | P137-Q142 WeakPolarHBondContact O-CG 3.22Å; P137-Q142 PolarHBondContact O-NE2 3.08Å; V138-Q142 WeakPolarHBondContact O-CG 3.27Å; V138-Q142 PolarHBondContact O-N 2.68Å; Y139-Q142 CarbonylContact O-C 3.52Å; Y139-Q142 PolarHBondContact O-N 3.36Å; Y139-Q142 VanDerWaalsContact O-N 3.11Å; G140-Q142 VanDerWaalsContact C-N 3.34Å; G140-Q142 PolarHBondContact O-N 2.74Å; Q142-S146 WeakPolarHBondContact O-CB 3.39Å; Q142-S146 PolarHBondContact OE1-OG 2.9Å; Q142-Q164 PolarHBondContact O-NE2 2.82Å; Q142-A185 HydrophobicContact CB-CB 4.46Å; Q142-A185 WeakPolarHBondContact CG-O 3.07Å; Q142-N187 PolarHBondContact OE1-ND2 3.17Å; Q142-M194 HydrophobicContact CG-CE 3.9Å |
| 143 | W | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 21 Ų | 21 | 0% | 0.004 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -77.4 | -38.4 | 177.5 | -70.3 | 19.2 | 0 | 0 | 0 | 112.4 | L92 F95 I96 Y139 G140 F141 Q164 L165 I183 Y234 L237 | L92-W143 HydrophobicContact CD1-CH2 3.99Å; L92-W143 HydrophobicContact CD1-CZ3 4.05Å; F95-W143 HydrophobicContact CB-CE3 4.12Å; F95-W143 HydrophobicContact CB-CH2 4.37Å; F95-W143 HydrophobicContact CB-CZ3 4.02Å; F95-W143 HydrophobicContact CD2-CH2 4.35Å; I96-W143 HydrophobicContact CG1-CZ3 4.45Å; Y139-W143 VanDerWaalsContact O-CG 3.31Å; Y139-W143 PolarHBondContact O-N 3.21Å; G140-W143 WeakPolarHBondContact O-CB 3.27Å; G140-W143 PolarHBondContact O-N 2.7Å; F141-W143 PolarHBondContact O-N 2.94Å; W143-Q164 PolarHBondContact O-N 3.03Å; W143-L165 PolarHBondContact O-N 3.06Å; W143-I183 HydrophobicContact CB-CG2 4.47Å; W143-I183 HydrophobicContact CD2-CD1 4.47Å; W143-I183 HydrophobicContact CD2-CG2 4.4Å; W143-I183 HydrophobicContact CG-CG2 3.9Å; W143-Y234 HydrophobicContact CZ2-CE1 4.34Å; W143-L237 HydrophobicContact CH2-CD2 3.67Å; W143-L237 HydrophobicContact CZ3-CD1 4.14Å; W143-L237 HydrophobicContact CZ3-CD2 3.96Å |
| 144 | R | 98.6 | Very high | 98.1 | Very high | 33 Ų | 33 | 26.2 Ų | 26.2 | 13% | 0.125 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -105.9 | -23.6 | -170.5 | -57.7 | -52.3 | -60.5 | -95.5 | 4.4 | 114.9 | I96 G140 F141 V162 D163 D293 | I96-R144 WeakPolarHBondContact O-CD 3.11Å; I96-R144 WeakPolarHBondContact O-CG 3.3Å; I96-R144 PolarHBondContact O-NH1 3.31Å; G140-R144 PolarHBondContact O-N 2.88Å; F141-R144 PolarHBondContact O-N 3.28Å; R144-V162 CarbonylContact C-O 3.6Å; R144-D163 WeakPolarHBondContact CD-OD1 3.3Å; R144-D163 IonicContact CZ-OD1 2.74Å; R144-D163 IonicContact CZ-OD2 3.61Å; R144-D163 VanDerWaalsContact CZ-OD2 3.24Å; R144-D163 IonicContact NE-OD1 2.91Å; R144-D163 PolarHBondContact NE-OD1 2.9Å; R144-D163 IonicContact NE-OD2 3.36Å; R144-D163 PolarHBondContact NE-OD2 3.25Å; R144-D163 IonicContact NH2-OD2 3.48Å; R144-D163 PolarHBondContact NH2-OD2 3.12Å; R144-D163 WeakPolarHBondContact O-CA 3.49Å; R144-D163 WeakPolarHBondContact O-CB 3.46Å; R144-D293 IonicContact CZ-OD1 3.59Å; R144-D293 IonicContact NH1-OD1 2.7Å; R144-D293 PolarHBondContact NH1-OD1 3.29Å; R144-D293 IonicContact NH2-OD1 3.62Å |
| 145 | H | 98.6 | Very high | 98.1 | Very high | 26 Ų | 26 | 28.2 Ų | 28.2 | 12% | 0.12 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -139.4 | 28.8 | -167.8 | -49.6 | -56.4 | 0 | 0 | 0 | 112.5 | F141 G147 A148 Y157 | F141-H145 HydrophobicContact CD1-CB 4.39Å; F141-H145 HydrophobicContact CD2-CB 3.88Å; F141-H145 HydrophobicContact CE1-CB 4.33Å; F141-H145 WeakPolarHBondContact CE1-O 3.45Å; F141-H145 HydrophobicContact CE2-CB 3.78Å; F141-H145 HydrophobicContact CG-CB 4.2Å; F141-H145 HydrophobicContact CZ-CB 4.04Å; F141-H145 CarbonylContact O-C 3.52Å; F141-H145 VanDerWaalsContact O-C 3.28Å; F141-H145 VanDerWaalsContact O-CA 3.29Å; F141-H145 WeakPolarHBondContact O-CA 3.36Å; F141-H145 PolarHBondContact O-N 2.83Å; H145-G147 PolarHBondContact O-N 3.49Å; H145-A148 HydrophobicContact CB-CB 4.24Å; H145-A148 VanDerWaalsContact O-CB 3.27Å; H145-A148 WeakPolarHBondContact O-CB 3.38Å; H145-A148 PolarHBondContact O-N 3.48Å; H145-Y157 VanDerWaalsContact CG-CB 3.45Å; H145-Y157 WeakPolarHBondContact ND1-CB 3.33Å; H145-Y157 PolarHBondContact ND1-O 3.27Å |
| 146 | S | 98 | Very high | 98.1 | Very high | 22 Ų | 22 | 33.8 Ų | 33.8 | 15% | 0.154 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -58.2 | 127 | -174.1 | -161.2 | 0 | 0 | 0 | 0 | 111.6 | F141 Q142 A148 G161 V162 | F141-S146 PolarHBondContact O-N 2.77Å; Q142-S146 WeakPolarHBondContact O-CB 3.39Å; Q142-S146 PolarHBondContact OE1-OG 2.9Å; S146-A148 VanDerWaalsContact C-N 3.33Å; S146-G161 CarbonylContact O-C 3.59Å; S146-G161 WeakPolarHBondContact O-CA 3.36Å; S146-V162 PolarHBondContact N-O 3.39Å; S146-V162 PolarHBondContact O-N 3.47Å |
| 147 | G | 97.6 | Very high | 98.1 | Very high | 47 Ų | 47 | 34.3 Ų | 34.3 | 49% | 0.485 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | -5.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | H145 | H145-G147 PolarHBondContact O-N 3.49Š|
| 148 | A | 98.1 | Very high | 98 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 5% | 0.05 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -65.4 | 150.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | F141 H145 S146 Y150 Y157 Q160 | F141-A148 HydrophobicContact CE2-CB 4.43Å; F141-A148 HydrophobicContact CZ-CB 3.77Å; H145-A148 HydrophobicContact CB-CB 4.24Å; H145-A148 VanDerWaalsContact O-CB 3.27Å; H145-A148 WeakPolarHBondContact O-CB 3.38Å; H145-A148 PolarHBondContact O-N 3.48Å; S146-A148 VanDerWaalsContact C-N 3.33Å; A148-Y150 PolarHBondContact O-N 3.24Å; A148-Y157 HydrophobicContact CB-CD1 4.4Å; A148-Q160 HydrophobicContact CB-CB 3.74Å |
| 149 | E | 97.9 | Very high | 97.9 | Very high | 102 Ų | 102 | 43.5 Ų | 43.5 | 48% | 0.477 | 26% | 0.263 | S | S | . | . | trans | -79.8 | 113.4 | 175 | -169.2 | 60.4 | -147.7 | 0 | 0 | 109.1 | V151 K189 K193 | E149-V151 PolarHBondContact O-N 3.29Å; E149-K189 IonicContact OE2-NZ 3.58Å; E149-K189 PolarHBondContact OE2-NZ 2.81Å; E149-K193 IonicContact OE1-NZ 2.82Å; E149-K193 PolarHBondContact OE1-NZ 2.76Å; E149-K193 IonicContact OE2-NZ 3.14Å | ||
| 150 | Y | 98.2 | Very high | 97.9 | Very high | 19 Ų | 19 | 47 Ų | 47 | 8% | 0.075 | 28% | 0.28 | C | S | . | . | trans | -65.8 | 125.6 | 178.2 | -168.5 | -96.2 | 0 | 0 | 0 | 111.4 | T100 D134 G136 P137 F141 A148 C153 Y157 | T100-Y150 HydrophobicContact CG2-CE2 4.02Å; T100-Y150 PolarHBondContact OG1-OH 2.99Å; D134-Y150 VanDerWaalsContact CG-OH 3.23Å; D134-Y150 WeakPolarHBondContact OD1-CE1 3.48Å; D134-Y150 PolarHBondContact OD1-OH 2.77Å; D134-Y150 PolarHBondContact OD2-OH 3.29Å; G136-Y150 VanDerWaalsContact CA-CZ 3.49Å; P137-Y150 HydrophobicContact CB-CD2 3.65Å; P137-Y150 HydrophobicContact CB-CE2 4.33Å; P137-Y150 HydrophobicContact CB-CG 3.93Å; P137-Y150 HydrophobicContact CG-CD2 4.28Å; P137-Y150 HydrophobicContact CG-CG 4.08Å; F141-Y150 AromaticContact CD2-CD2 3.72Å; F141-Y150 HydrophobicContact CD2-CD2 3.72Å; F141-Y150 HydrophobicContact CD2-CE2 4.11Å; F141-Y150 AromaticContact CE2-CD2 3.63Å; F141-Y150 HydrophobicContact CE2-CD2 3.63Å; F141-Y150 HydrophobicContact CE2-CE2 4.38Å; F141-Y150 HydrophobicContact CG-CD2 4.23Å; F141-Y150 HydrophobicContact CZ-CD2 4.05Å; A148-Y150 PolarHBondContact O-N 3.24Å; Y150-C153 PolarHBondContact OH-N 3.41Å; Y150-Y157 HydrophobicContact CE2-CE2 4.45Å | ||
| 151 | V | 97.8 | Very high | 97.9 | Very high | 99 Ų | 99 | 49.2 Ų | 49.2 | 60% | 0.6 | 30% | 0.303 | S | S | * | . | trans | -99.9 | -69.9 | 174.1 | -178.9 | 0 | 0 | 0 | 0 | 109 | E149 T155 Y157 | E149-V151 PolarHBondContact O-N 3.29Å; V151-T155 HydrophobicContact CB-CG2 4.36Å; V151-T155 HydrophobicContact CG2-CG2 4.49Å; V151-Y157 PolarHBondContact N-OH 3.47Å | ||
| 152 | D | 97.9 | Very high | 97.9 | Very high | 57 Ų | 57 | 52.6 Ų | 52.6 | 31% | 0.305 | 32% | 0.323 | S | S | . | . | trans | -156.5 | -178.9 | 177.6 | 57.7 | 40.5 | 0 | 0 | 0 | 111.3 | D134 Q154 T155 Y157 | D134-D152 WeakPolarHBondContact OD2-CA 3.13Å; D152-Q154 VanDerWaalsContact C-N 3.31Å; D152-Q154 PolarHBondContact O-N 2.92Å; D152-Q154 PolarHBondContact OD1-N 2.97Å; D152-T155 WeakPolarHBondContact OD1-CB 3.39Å; D152-T155 PolarHBondContact OD1-N 3.29Å; D152-T155 PolarHBondContact OD1-OG1 3.36Å; D152-Y157 PolarHBondContact N-OH 3.24Å; D152-Y157 WeakPolarHBondContact O-CE2 3.18Å; D152-Y157 PolarHBondContact O-OH 3.16Å | ||
| 153 | C | 97.8 | Very high | 97.9 | Very high | 15 Ų | 15 | 54.6 Ų | 54.6 | 10% | 0.101 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -79.5 | -0.8 | 178.6 | 68.6 | 0 | 0 | 0 | 0 | 115.8 | T100 N101 D134 Y150 | T100-C153 WeakPolarHBondContact OG1-CA 3.32Å; T100-C153 VanDerWaalsContact OG1-CB 3.27Å; T100-C153 WeakPolarHBondContact OG1-CB 3.48Å; N101-C153 HydrophobicContact CB-CB 3.94Å; D134-C153 HydrophobicContact CB-CB 4.09Å; D134-C153 PolarHBondContact OD2-N 2.93Å; Y150-C153 PolarHBondContact OH-N 3.41Å |
| 154 | Q | 97.1 | Very high | 97.9 | Very high | 111 Ų | 111 | 55.7 Ų | 55.7 | 52% | 0.519 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -105.4 | -16.4 | 178.8 | -58.4 | -57.4 | -42.9 | 0 | 0 | 112.8 | N101 D152 | N101-Q154 PolarHBondContact ND2-NE2 2.84Å; D152-Q154 VanDerWaalsContact C-N 3.31Å; D152-Q154 PolarHBondContact O-N 2.92Å; D152-Q154 PolarHBondContact OD1-N 2.97Å |
| 155 | T | 98 | Very high | 97.9 | Very high | 44 Ų | 44 | 54.1 Ų | 54.1 | 27% | 0.27 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -65.8 | 133.7 | -178.6 | -64.9 | 0 | 0 | 0 | 0 | 111.4 | V151 D152 Y157 | V151-T155 HydrophobicContact CB-CG2 4.36Å; V151-T155 HydrophobicContact CG2-CG2 4.49Å; D152-T155 WeakPolarHBondContact OD1-CB 3.39Å; D152-T155 PolarHBondContact OD1-N 3.29Å; D152-T155 PolarHBondContact OD1-OG1 3.36Å; T155-Y157 HydrophobicContact CG2-CD1 4.08Å; T155-Y157 HydrophobicContact CG2-CD2 4.37Å; T155-Y157 HydrophobicContact CG2-CE1 3.73Å; T155-Y157 HydrophobicContact CG2-CE2 4.03Å; T155-Y157 HydrophobicContact CG2-CG 4.39Å; T155-Y157 WeakPolarHBondContact O-CD2 3.21Å; T155-Y157 VanDerWaalsContact O-CE2 3.24Å; T155-Y157 WeakPolarHBondContact O-CE2 3.37Å; T155-Y157 PolarHBondContact O-N 2.91Å |
| 156 | D | 97.6 | Very high | 97.9 | Very high | 118 Ų | 118 | 54.8 Ų | 54.8 | 63% | 0.631 | 34% | 0.343 | S | S | * | . | trans | -78.3 | 108.8 | 169.6 | -177.4 | 5.1 | 0 | 0 | 0 | 110.3 | T158 Q160 | D156-T158 VanDerWaalsContact C-N 3.33Å; D156-T158 WeakPolarHBondContact OD1-CB 3.37Å; D156-T158 PolarHBondContact OD1-N 2.98Å; D156-T158 PolarHBondContact OD1-OG1 3.42Å; D156-Q160 PolarHBondContact O-NE2 2.92Å; D156-Q160 VanDerWaalsContact O-NE2 3.08Å | ||
| 157 | Y | 98.3 | Very high | 98 | Very high | 11 Ų | 11 | 57.6 Ų | 57.6 | 4% | 0.043 | 36% | 0.357 | C | S | . | . | trans | -92.4 | 13.2 | 178.2 | -60.6 | -81.1 | 0 | 0 | 0 | 113.3 | F141 H145 A148 Y150 V151 D152 T155 G159 Q160 | F141-Y157 HydrophobicContact CD2-CD2 4.18Å; F141-Y157 HydrophobicContact CD2-CE2 4.21Å; F141-Y157 HydrophobicContact CD2-CG 4.42Å; F141-Y157 AromaticContact CE2-CD1 3.7Å; F141-Y157 HydrophobicContact CE2-CD1 3.7Å; F141-Y157 AromaticContact CE2-CD2 3.91Å; F141-Y157 HydrophobicContact CE2-CD2 3.91Å; F141-Y157 AromaticContact CE2-CE1 3.7Å; F141-Y157 HydrophobicContact CE2-CE1 3.7Å; F141-Y157 AromaticContact CE2-CE2 3.91Å; F141-Y157 HydrophobicContact CE2-CE2 3.91Å; F141-Y157 AromaticContact CE2-CG 3.8Å; F141-Y157 HydrophobicContact CE2-CG 3.8Å; F141-Y157 AromaticContact CE2-CZ 3.79Å; F141-Y157 HydrophobicContact CZ-CD1 4.4Å; F141-Y157 HydrophobicContact CZ-CE1 4.36Å; H145-Y157 VanDerWaalsContact CG-CB 3.45Å; H145-Y157 WeakPolarHBondContact ND1-CB 3.33Å; H145-Y157 PolarHBondContact ND1-O 3.27Å; A148-Y157 HydrophobicContact CB-CD1 4.4Å; Y150-Y157 HydrophobicContact CE2-CE2 4.45Å; V151-Y157 PolarHBondContact N-OH 3.47Å; D152-Y157 PolarHBondContact N-OH 3.24Å; D152-Y157 WeakPolarHBondContact O-CE2 3.18Å; D152-Y157 PolarHBondContact O-OH 3.16Å; T155-Y157 HydrophobicContact CG2-CD1 4.08Å; T155-Y157 HydrophobicContact CG2-CD2 4.37Å; T155-Y157 HydrophobicContact CG2-CE1 3.73Å; T155-Y157 HydrophobicContact CG2-CE2 4.03Å; T155-Y157 HydrophobicContact CG2-CG 4.39Å; T155-Y157 WeakPolarHBondContact O-CD2 3.21Å; T155-Y157 VanDerWaalsContact O-CE2 3.24Å; T155-Y157 WeakPolarHBondContact O-CE2 3.37Å; T155-Y157 PolarHBondContact O-N 2.91Å; Y157-G159 PolarHBondContact O-N 2.9Å; Y157-Q160 VanDerWaalsContact O-CB 3.32Å; Y157-Q160 WeakPolarHBondContact O-CB 3.47Å; Y157-Q160 PolarHBondContact O-N 2.92Å | ||
| 158 | T | 96.3 | Very high | 98 | Very high | 108 Ų | 108 | 55.5 Ų | 55.5 | 66% | 0.663 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 126.3 | 178.5 | -63.8 | 0 | 0 | 0 | 0 | 111.2 | D156 Q160 | D156-T158 VanDerWaalsContact C-N 3.33Å; D156-T158 WeakPolarHBondContact OD1-CB 3.37Å; D156-T158 PolarHBondContact OD1-N 2.98Å; D156-T158 PolarHBondContact OD1-OG1 3.42Å; T158-Q160 PolarHBondContact O-N 3.48Å |
| 159 | G | 97 | Very high | 98.1 | Very high | 84 Ų | 84 | 55.9 Ų | 55.9 | 87% | 0.866 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | 4.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y157 | Y157-G159 PolarHBondContact O-N 2.9Š|
| 160 | Q | 98.3 | Very high | 98.1 | Very high | 82 Ų | 82 | 56.1 Ų | 56.1 | 38% | 0.383 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -100 | 136.8 | 176.8 | -52.6 | -172.8 | 47.5 | 0 | 0 | 111 | A148 D156 Y157 T158 | A148-Q160 HydrophobicContact CB-CB 3.74Å; D156-Q160 PolarHBondContact O-NE2 2.92Å; D156-Q160 VanDerWaalsContact O-NE2 3.08Å; Y157-Q160 VanDerWaalsContact O-CB 3.32Å; Y157-Q160 WeakPolarHBondContact O-CB 3.47Å; Y157-Q160 PolarHBondContact O-N 2.92Å; T158-Q160 PolarHBondContact O-N 3.48Å |
| 161 | G | 98 | Very high | 98.1 | Very high | 47 Ų | 47 | 56.9 Ų | 56.9 | 49% | 0.485 | 34% | 0.34 | S | S | . | . | S | Bend | trans | 72.2 | -149.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S146 | S146-G161 CarbonylContact O-C 3.59Å; S146-G161 WeakPolarHBondContact O-CA 3.36Å |
| 162 | V | 98.4 | Very high | 98.2 | Very high | 72 Ų | 72 | 52.5 Ų | 52.5 | 44% | 0.436 | 31% | 0.313 | S | S | . | . | B | Isolated β-bridge | trans | -118.4 | 123 | -178.9 | -179.6 | 0 | 0 | 0 | 0 | 109.6 | R144 S146 Q164 | R144-V162 CarbonylContact C-O 3.6Å; S146-V162 PolarHBondContact N-O 3.39Å; S146-V162 PolarHBondContact O-N 3.47Å; V162-Q164 HydrophobicContact CG1-CG 4.17Å; V162-Q164 PolarHBondContact O-N 3.44Å |
| 163 | D | 98.7 | Very high | 98.2 | Very high | 43 Ų | 43 | 56 Ų | 56 | 23% | 0.23 | 32% | 0.322 | C | S | . | . | trans | -85.7 | 86.8 | 171.8 | -169.4 | -21.3 | 0 | 0 | 0 | 110.1 | R144 L165 A166 D167 | R144-D163 WeakPolarHBondContact CD-OD1 3.3Å; R144-D163 IonicContact CZ-OD1 2.74Å; R144-D163 IonicContact CZ-OD2 3.61Å; R144-D163 VanDerWaalsContact CZ-OD2 3.24Å; R144-D163 IonicContact NE-OD1 2.91Å; R144-D163 PolarHBondContact NE-OD1 2.9Å; R144-D163 IonicContact NE-OD2 3.36Å; R144-D163 PolarHBondContact NE-OD2 3.25Å; R144-D163 IonicContact NH2-OD2 3.48Å; R144-D163 PolarHBondContact NH2-OD2 3.12Å; R144-D163 WeakPolarHBondContact O-CA 3.49Å; R144-D163 WeakPolarHBondContact O-CB 3.46Å; D163-L165 VanDerWaalsContact C-N 3.29Å; D163-L165 PolarHBondContact O-N 2.96Å; D163-L165 PolarHBondContact OD1-N 3.19Å; D163-A166 HydrophobicContact CB-CB 3.96Å; D163-A166 PolarHBondContact O-N 2.87Å; D163-A166 WeakPolarHBondContact OD1-CB 3.45Å; D163-A166 PolarHBondContact OD1-N 3.01Å; D163-D167 WeakPolarHBondContact O-CB 3.4Å; D163-D167 PolarHBondContact O-N 2.78Å | ||
| 164 | Q | 98.7 | Very high | 98.2 | Very high | 24 Ų | 24 | 61.5 Ų | 61.5 | 11% | 0.112 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.1 | -33.8 | -177.5 | -61.1 | -173 | 76.4 | 0 | 0 | 112.2 | Q142 W143 V162 V168 I183 V184 | Q142-Q164 PolarHBondContact O-NE2 2.82Å; W143-Q164 PolarHBondContact O-N 3.03Å; V162-Q164 HydrophobicContact CG1-CG 4.17Å; V162-Q164 PolarHBondContact O-N 3.44Å; Q164-V168 WeakPolarHBondContact O-CB 3.29Å; Q164-V168 WeakPolarHBondContact O-CG2 3.4Å; Q164-V168 PolarHBondContact O-N 3.5Å; Q164-I183 HydrophobicContact CB-CB 4.4Å; Q164-I183 HydrophobicContact CB-CG1 4.2Å; Q164-I183 HydrophobicContact CB-CG2 4.03Å; Q164-V184 PolarHBondContact NE2-O 3.4Å |
| 165 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.9 | -44.7 | 178.4 | 179 | 60.7 | 0 | 0 | 0 | 111.2 | I96 W143 D163 D167 V168 I169 I183 I241 I292 | I96-L165 HydrophobicContact CB-CD2 4.34Å; I96-L165 HydrophobicContact CG1-CD2 4.04Å; I96-L165 HydrophobicContact CG2-CD2 4.06Å; W143-L165 PolarHBondContact O-N 3.06Å; D163-L165 VanDerWaalsContact C-N 3.29Å; D163-L165 PolarHBondContact O-N 2.96Å; D163-L165 PolarHBondContact OD1-N 3.19Å; L165-D167 VanDerWaalsContact C-N 3.35Å; L165-V168 PolarHBondContact O-N 2.99Å; L165-I169 HydrophobicContact CD1-CD1 4.26Å; L165-I169 HydrophobicContact CG-CD1 4.23Å; L165-I169 WeakPolarHBondContact O-CG1 3.49Å; L165-I169 PolarHBondContact O-N 3.4Å; L165-I183 HydrophobicContact CB-CD1 4.29Å; L165-I183 HydrophobicContact CD1-CD1 4Å; L165-I241 HydrophobicContact CD1-CD1 4.02Å; L165-I292 HydrophobicContact CD2-CG1 4.26Å; L165-I292 HydrophobicContact CD2-CG2 4.18Å |
| 166 | A | 98.6 | Very high | 98.3 | Very high | 40 Ų | 40 | 60.6 Ų | 60.6 | 33% | 0.331 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D163 V168 I169 K170 | D163-A166 HydrophobicContact CB-CB 3.96Å; D163-A166 PolarHBondContact O-N 2.87Å; D163-A166 WeakPolarHBondContact OD1-CB 3.45Å; D163-A166 PolarHBondContact OD1-N 3.01Å; A166-V168 PolarHBondContact O-N 3.39Å; A166-I169 PolarHBondContact O-N 3.32Å; A166-K170 WeakPolarHBondContact O-CB 3.26Å; A166-K170 PolarHBondContact O-N 3.36Å |
| 167 | D | 98.5 | Very high | 98.3 | Very high | 81 Ų | 81 | 64.1 Ų | 64.1 | 43% | 0.433 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 175.6 | -81.4 | -17.1 | 0 | 0 | 0 | 112.1 | D163 L165 K170 L171 | D163-D167 WeakPolarHBondContact O-CB 3.4Å; D163-D167 PolarHBondContact O-N 2.78Å; L165-D167 VanDerWaalsContact C-N 3.35Å; D167-K170 PolarHBondContact O-N 2.92Å; D167-L171 WeakPolarHBondContact O-CB 3.41Å; D167-L171 VanDerWaalsContact O-CG 3.29Å; D167-L171 WeakPolarHBondContact O-CG 3.37Å; D167-L171 PolarHBondContact O-N 2.9Å |
| 168 | V | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.012 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.7 | -51 | 173.9 | 157.3 | 0 | 0 | 0 | 0 | 111.3 | Q164 L165 A166 K170 L171 I172 I181 M182 I183 F205 I241 | Q164-V168 WeakPolarHBondContact O-CB 3.29Å; Q164-V168 WeakPolarHBondContact O-CG2 3.4Å; Q164-V168 PolarHBondContact O-N 3.5Å; L165-V168 PolarHBondContact O-N 2.99Å; A166-V168 PolarHBondContact O-N 3.39Å; V168-K170 VanDerWaalsContact C-N 3.31Å; V168-K170 PolarHBondContact O-N 2.88Å; V168-L171 PolarHBondContact O-N 3.41Å; V168-I172 HydrophobicContact CG1-CD1 3.73Å; V168-I172 VanDerWaalsContact O-CG1 3.29Å; V168-I172 WeakPolarHBondContact O-CG1 3.4Å; V168-I172 PolarHBondContact O-N 2.91Å; V168-I181 HydrophobicContact CB-CG2 4.16Å; V168-I181 HydrophobicContact CG1-CG2 3.77Å; V168-I181 HydrophobicContact CG2-CG2 3.97Å; V168-M182 WeakPolarHBondContact CG2-O 3.35Å; V168-I183 HydrophobicContact CG2-CD1 4.49Å; V168-I183 HydrophobicContact CG2-CG1 3.82Å; V168-F205 HydrophobicContact CG1-CD2 3.62Å; V168-F205 HydrophobicContact CG1-CE2 3.72Å; V168-F205 HydrophobicContact CG1-CG 4.28Å; V168-F205 HydrophobicContact CG1-CZ 4.46Å; V168-F205 HydrophobicContact CG2-CD2 4.15Å; V168-F205 HydrophobicContact CG2-CE2 4.25Å; V168-I241 HydrophobicContact CG1-CD1 4.39Å |
| 169 | I | 98.8 | Very high | 98.3 | Very high | 14 Ų | 14 | 69.5 Ų | 69.5 | 7% | 0.072 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.9 | -42 | -179.2 | -70.1 | 165.9 | 0 | 0 | 0 | 110.7 | L165 A166 I172 R173 I241 T245 I292 | L165-I169 HydrophobicContact CD1-CD1 4.26Å; L165-I169 HydrophobicContact CG-CD1 4.23Å; L165-I169 WeakPolarHBondContact O-CG1 3.49Å; L165-I169 PolarHBondContact O-N 3.4Å; A166-I169 PolarHBondContact O-N 3.32Å; I169-I172 PolarHBondContact O-N 2.76Å; I169-R173 WeakPolarHBondContact O-CG 3.42Å; I169-R173 PolarHBondContact O-N 2.91Å; I169-I241 HydrophobicContact CG1-CG2 4.3Å; I169-T245 HydrophobicContact CG2-CG2 4.08Å; I169-I292 HydrophobicContact CD1-CB 3.61Å; I169-I292 HydrophobicContact CD1-CG1 4.08Å; I169-I292 HydrophobicContact CD1-CG2 3.49Å; I169-I292 VanDerWaalsContact CD1-CG2 3.49Å |
| 170 | K | 98.7 | Very high | 98.4 | Very high | 107 Ų | 107 | 72.9 Ų | 72.9 | 47% | 0.465 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.6 | -48.8 | 176 | -177.1 | -179.4 | 177.1 | -179.8 | 0 | 111.5 | A166 D167 V168 I172 R173 E174 | A166-K170 WeakPolarHBondContact O-CB 3.26Å; A166-K170 PolarHBondContact O-N 3.36Å; D167-K170 PolarHBondContact O-N 2.92Å; V168-K170 VanDerWaalsContact C-N 3.31Å; V168-K170 PolarHBondContact O-N 2.88Å; K170-I172 VanDerWaalsContact C-N 3.34Å; K170-I172 PolarHBondContact O-N 3.24Å; K170-R173 PolarHBondContact O-N 3.31Å; K170-E174 VanDerWaalsContact CE-CD 3.48Å; K170-E174 VanDerWaalsContact CE-OE1 3.25Å; K170-E174 WeakPolarHBondContact CE-OE1 3.48Å; K170-E174 WeakPolarHBondContact CE-OE2 3.15Å; K170-E174 HydrophobicContact CG-CG 4.33Å; K170-E174 WeakPolarHBondContact O-CB 3.49Å; K170-E174 PolarHBondContact O-N 3.33Å |
| 171 | L | 98.7 | Very high | 98.4 | Very high | 35 Ų | 35 | 69 Ų | 69 | 18% | 0.183 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63 | -38.9 | 179.1 | -74.6 | 171.6 | 0 | 0 | 0 | 112.3 | D167 V168 R173 E174 R175 D178 I181 | D167-L171 WeakPolarHBondContact O-CB 3.41Å; D167-L171 VanDerWaalsContact O-CG 3.29Å; D167-L171 WeakPolarHBondContact O-CG 3.37Å; D167-L171 PolarHBondContact O-N 2.9Å; V168-L171 PolarHBondContact O-N 3.41Å; L171-R173 VanDerWaalsContact C-N 3.29Å; L171-R173 PolarHBondContact O-N 3.36Å; L171-E174 PolarHBondContact O-N 3.01Å; L171-R175 CarbonylContact O-C 3.52Å; L171-R175 VanDerWaalsContact O-CA 3.3Å; L171-R175 WeakPolarHBondContact O-CA 3.41Å; L171-R175 PolarHBondContact O-N 3.4Å; L171-D178 HydrophobicContact CD2-CB 4.44Å; L171-I181 HydrophobicContact CB-CG1 3.91Å; L171-I181 HydrophobicContact CD1-CG1 4.37Å |
| 172 | I | 98.7 | Very high | 98.4 | Very high | 7 Ų | 7 | 69.8 Ų | 69.8 | 4% | 0.036 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.1 | -41.8 | 175.4 | -70.8 | 165.7 | 0 | 0 | 0 | 110.8 | V168 I169 K170 P176 I181 V207 L212 I241 T245 L247 | V168-I172 HydrophobicContact CG1-CD1 3.73Å; V168-I172 VanDerWaalsContact O-CG1 3.29Å; V168-I172 WeakPolarHBondContact O-CG1 3.4Å; V168-I172 PolarHBondContact O-N 2.91Å; I169-I172 PolarHBondContact O-N 2.76Å; K170-I172 VanDerWaalsContact C-N 3.34Å; K170-I172 PolarHBondContact O-N 3.24Å; I172-P176 WeakPolarHBondContact O-CB 3.2Å; I172-I181 HydrophobicContact CD1-CG2 4.08Å; I172-I181 HydrophobicContact CG1-CD1 4.17Å; I172-I181 HydrophobicContact CG1-CG2 3.75Å; I172-V207 HydrophobicContact CG1-CG2 4.22Å; I172-V207 HydrophobicContact CG2-CG2 4.05Å; I172-L212 HydrophobicContact CD1-CD1 3.7Å; I172-L212 HydrophobicContact CD1-CD2 4.22Å; I172-L212 HydrophobicContact CG1-CD1 4.21Å; I172-I241 HydrophobicContact CD1-CG2 3.43Å; I172-I241 VanDerWaalsContact CD1-CG2 3.43Å; I172-T245 HydrophobicContact CB-CG2 4.15Å; I172-T245 HydrophobicContact CG2-CG2 3.69Å; I172-L247 HydrophobicContact CG2-CD1 3.55Å |
| 173 | R | 98.3 | Very high | 98.4 | Very high | 130 Ų | 130 | 66.4 Ų | 66.4 | 49% | 0.491 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -71.9 | -43.8 | 179.3 | -71.4 | 174.9 | 174.2 | 165.6 | -2.3 | 113 | I169 K170 L171 V244 T245 K290 | I169-R173 WeakPolarHBondContact O-CG 3.42Å; I169-R173 PolarHBondContact O-N 2.91Å; K170-R173 PolarHBondContact O-N 3.31Å; L171-R173 VanDerWaalsContact C-N 3.29Å; L171-R173 PolarHBondContact O-N 3.36Å; R173-V244 PolarHBondContact NH2-O 3.4Å; R173-T245 HydrophobicContact CG-CG2 4Å; R173-K290 PolarHBondContact NH2-O 2.86Å |
| 174 | E | 98.4 | Very high | 98.4 | Very high | 131 Ų | 131 | 67.1 Ų | 67.1 | 61% | 0.612 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -97 | -30.7 | -168.5 | -65 | 178.6 | -174.5 | 0 | 0 | 113.8 | K170 L171 | K170-E174 VanDerWaalsContact CE-CD 3.48Å; K170-E174 VanDerWaalsContact CE-OE1 3.25Å; K170-E174 WeakPolarHBondContact CE-OE1 3.48Å; K170-E174 WeakPolarHBondContact CE-OE2 3.15Å; K170-E174 HydrophobicContact CG-CG 4.33Å; K170-E174 WeakPolarHBondContact O-CB 3.49Å; K170-E174 PolarHBondContact O-N 3.33Å; L171-E174 PolarHBondContact O-N 3.01Å |
| 175 | R | 98.1 | Very high | 98.4 | Very high | 98 Ų | 98 | 66 Ų | 66 | 37% | 0.37 | 29% | 0.293 | S | S | . | . | trans | -147.2 | 63.8 | -174.7 | -162.8 | 166.9 | 61 | -146 | -9 | 111.2 | L171 W177 D178 | L171-R175 CarbonylContact O-C 3.52Å; L171-R175 VanDerWaalsContact O-CA 3.3Å; L171-R175 WeakPolarHBondContact O-CA 3.41Å; L171-R175 PolarHBondContact O-N 3.4Å; R175-W177 HydrophobicContact CG-CD2 4.14Å; R175-W177 HydrophobicContact CG-CG 4.48Å; R175-W177 HydrophobicContact CG-CZ2 3.75Å; R175-W177 PolarHBondContact O-N 2.7Å; R175-D178 HydrophobicContact CB-CB 4.42Å; R175-D178 HydrophobicContact CG-CB 4.1Å; R175-D178 IonicContact CZ-OD2 3.04Å; R175-D178 IonicContact NE-OD2 2.74Å; R175-D178 PolarHBondContact NE-OD2 3.43Å; R175-D178 IonicContact NH2-OD2 2.64Å; R175-D178 PolarHBondContact NH2-OD2 3.29Å; R175-D178 VanDerWaalsContact O-CB 3.23Å; R175-D178 WeakPolarHBondContact O-CB 2.95Å; R175-D178 PolarHBondContact O-N 3.21Å | ||
| 176 | P | 98.2 | Very high | 98.4 | Very high | 38 Ų | 38 | 70.2 Ų | 70.2 | 25% | 0.247 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -20.5 | -172.8 | 20.9 | -32.5 | 0 | 0 | 0 | 114.8 | I172 D178 V207 | I172-P176 WeakPolarHBondContact O-CB 3.2Å; P176-D178 VanDerWaalsContact C-N 3.28Å; P176-V207 HydrophobicContact CB-CB 3.77Å; P176-V207 HydrophobicContact CB-CG1 3.72Å; P176-V207 HydrophobicContact CB-CG2 4.03Å |
| 177 | W | 97.7 | Very high | 98.3 | Very high | 193 Ų | 193 | 69.6 Ų | 69.6 | 73% | 0.731 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -0.6 | 174.7 | 59.9 | 84.8 | 0 | 0 | 0 | 113.9 | R175 R179 | R175-W177 HydrophobicContact CG-CD2 4.14Å; R175-W177 HydrophobicContact CG-CG 4.48Å; R175-W177 HydrophobicContact CG-CZ2 3.75Å; R175-W177 PolarHBondContact O-N 2.7Å; W177-R179 PolarHBondContact O-N 3.39Å |
| 178 | D | 98.1 | Very high | 98.3 | Very high | 14 Ų | 14 | 71 Ų | 71 | 8% | 0.075 | 31% | 0.311 | C | S | . | . | trans | -63.7 | 129.7 | 177.8 | -160.6 | -36.4 | 0 | 0 | 0 | 110.2 | L171 R175 P176 R180 I181 | L171-D178 HydrophobicContact CD2-CB 4.44Å; R175-D178 HydrophobicContact CB-CB 4.42Å; R175-D178 HydrophobicContact CG-CB 4.1Å; R175-D178 IonicContact CZ-OD2 3.04Å; R175-D178 IonicContact NE-OD2 2.74Å; R175-D178 PolarHBondContact NE-OD2 3.43Å; R175-D178 IonicContact NH2-OD2 2.64Å; R175-D178 PolarHBondContact NH2-OD2 3.29Å; R175-D178 VanDerWaalsContact O-CB 3.23Å; R175-D178 WeakPolarHBondContact O-CB 2.95Å; R175-D178 PolarHBondContact O-N 3.21Å; P176-D178 VanDerWaalsContact C-N 3.28Å; D178-R180 PolarHBondContact O-N 2.68Å; D178-R180 VanDerWaalsContact OD1-CB 3.25Å; D178-R180 WeakPolarHBondContact OD1-CB 3.02Å; D178-R180 WeakPolarHBondContact OD1-CG 3.38Å; D178-R180 IonicContact OD1-CZ 3.57Å; D178-R180 PolarHBondContact OD1-N 2.82Å; D178-R180 IonicContact OD1-NE 2.98Å; D178-R180 PolarHBondContact OD1-NE 2.9Å; D178-R180 IonicContact OD1-NH2 3.6Å; D178-R180 IonicContact OD2-CZ 2.67Å; D178-R180 IonicContact OD2-NE 2.95Å; D178-R180 PolarHBondContact OD2-NE 2.76Å; D178-R180 IonicContact OD2-NH2 3.26Å; D178-R180 PolarHBondContact OD2-NH2 2.75Å; D178-I181 HydrophobicContact CB-CD1 4.39Å; D178-I181 HydrophobicContact CB-CG1 4.04Å; D178-I181 WeakPolarHBondContact O-CD1 3.27Å; D178-I181 VanDerWaalsContact O-CG1 3.3Å; D178-I181 WeakPolarHBondContact O-CG1 3.48Å | ||
| 179 | R | 97.6 | Very high | 98.2 | Very high | 218 Ų | 218 | 77.2 Ų | 77.2 | 82% | 0.823 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -3.3 | 179.4 | -60.3 | -177.2 | -178.5 | -173.6 | -0.6 | 112.8 | W177 Q204 | W177-R179 PolarHBondContact O-N 3.39Å; R179-Q204 PolarHBondContact O-NE2 3.09Å |
| 180 | R | 98.1 | Very high | 98.1 | Very high | 154 Ų | 154 | 76.5 Ų | 76.5 | 58% | 0.581 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | 12.8 | -176.4 | -57.7 | 166.8 | -68.9 | -175 | -1.7 | 113.3 | D178 M182 | D178-R180 PolarHBondContact O-N 2.68Å; D178-R180 VanDerWaalsContact OD1-CB 3.25Å; D178-R180 WeakPolarHBondContact OD1-CB 3.02Å; D178-R180 WeakPolarHBondContact OD1-CG 3.38Å; D178-R180 IonicContact OD1-CZ 3.57Å; D178-R180 PolarHBondContact OD1-N 2.82Å; D178-R180 IonicContact OD1-NE 2.98Å; D178-R180 PolarHBondContact OD1-NE 2.9Å; D178-R180 IonicContact OD1-NH2 3.6Å; D178-R180 IonicContact OD2-CZ 2.67Å; D178-R180 IonicContact OD2-NE 2.95Å; D178-R180 PolarHBondContact OD2-NE 2.76Å; D178-R180 IonicContact OD2-NH2 3.26Å; D178-R180 PolarHBondContact OD2-NH2 2.75Å; R180-M182 VanDerWaalsContact C-N 3.28Å; R180-M182 PolarHBondContact O-N 3.02Å |
| 181 | I | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 32% | 0.321 | C | S | . | . | trans | -70.5 | 88 | 176.1 | -51 | 169.3 | 0 | 0 | 0 | 107.9 | V168 L171 I172 D178 Q204 F205 | V168-I181 HydrophobicContact CB-CG2 4.16Å; V168-I181 HydrophobicContact CG1-CG2 3.77Å; V168-I181 HydrophobicContact CG2-CG2 3.97Å; L171-I181 HydrophobicContact CB-CG1 3.91Å; L171-I181 HydrophobicContact CD1-CG1 4.37Å; I172-I181 HydrophobicContact CD1-CG2 4.08Å; I172-I181 HydrophobicContact CG1-CD1 4.17Å; I172-I181 HydrophobicContact CG1-CG2 3.75Å; D178-I181 HydrophobicContact CB-CD1 4.39Å; D178-I181 HydrophobicContact CB-CG1 4.04Å; D178-I181 WeakPolarHBondContact O-CD1 3.27Å; D178-I181 VanDerWaalsContact O-CG1 3.3Å; D178-I181 WeakPolarHBondContact O-CG1 3.48Å; I181-Q204 WeakPolarHBondContact O-CA 3.26Å; I181-F205 HydrophobicContact CB-CB 4.24Å; I181-F205 HydrophobicContact CG2-CB 3.68Å; I181-F205 HydrophobicContact CG2-CD2 4.13Å; I181-F205 HydrophobicContact CG2-CG 4.29Å; I181-F205 PolarHBondContact O-N 3.41Å | ||
| 182 | M | 98.5 | Very high | 98 | Very high | 65 Ų | 65 | 82.3 Ų | 82.3 | 32% | 0.32 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 154.3 | -170.3 | -58.6 | -173.1 | -59.4 | 0 | 0 | 112.1 | V168 R180 L202 V203 Q204 | V168-M182 WeakPolarHBondContact CG2-O 3.35Å; R180-M182 VanDerWaalsContact C-N 3.28Å; R180-M182 PolarHBondContact O-N 3.02Å; M182-L202 HydrophobicContact SD-CD1 4.5Å; M182-V203 CarbonylContact C-O 3.53Å; M182-V203 WeakPolarHBondContact CA-O 3.44Å; M182-V203 WeakPolarHBondContact CB-O 3.34Å; M182-Q204 HydrophobicContact CG-CB 3.8Å; M182-Q204 HydrophobicContact CG-CG 3.73Å; M182-Q204 HydrophobicContact SD-CB 4.22Å; M182-Q204 HydrophobicContact SD-CG 4.15Å |
| 183 | I | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 84.2 Ų | 84.2 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 131.7 | 165.9 | -53.7 | 173.4 | 0 | 0 | 0 | 108.1 | W143 Q164 L165 V168 L202 V203 F205 | W143-I183 HydrophobicContact CB-CG2 4.47Å; W143-I183 HydrophobicContact CD2-CD1 4.47Å; W143-I183 HydrophobicContact CD2-CG2 4.4Å; W143-I183 HydrophobicContact CG-CG2 3.9Å; Q164-I183 HydrophobicContact CB-CB 4.4Å; Q164-I183 HydrophobicContact CB-CG1 4.2Å; Q164-I183 HydrophobicContact CB-CG2 4.03Å; L165-I183 HydrophobicContact CB-CD1 4.29Å; L165-I183 HydrophobicContact CD1-CD1 4Å; V168-I183 HydrophobicContact CG2-CD1 4.49Å; V168-I183 HydrophobicContact CG2-CG1 3.82Å; I183-L202 WeakPolarHBondContact O-CA 2.92Å; I183-V203 HydrophobicContact CB-CG1 3.59Å; I183-V203 HydrophobicContact CD1-CG1 4.25Å; I183-V203 HydrophobicContact CG1-CG1 4.12Å; I183-V203 PolarHBondContact N-O 3.05Å; I183-V203 PolarHBondContact O-N 3.22Å; I183-F205 HydrophobicContact CD1-CE2 4.27Å; I183-F205 HydrophobicContact CG1-CE2 4.4Å |
| 184 | V | 98.4 | Very high | 97.9 | Very high | 57 Ų | 57 | 78.3 Ų | 78.3 | 35% | 0.345 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 110.3 | 174.9 | -165 | 0 | 0 | 0 | 0 | 109.1 | Q164 L202 | Q164-V184 PolarHBondContact NE2-O 3.4Å; V184-L202 HydrophobicContact CB-CD1 4.46Å; V184-L202 HydrophobicContact CG1-CD1 4.49Å; V184-L202 HydrophobicContact CG2-CD1 3.77Å |
| 185 | A | 98.2 | Very high | 97.8 | Very high | 2 Ų | 2 | 72.3 Ų | 72.3 | 2% | 0.017 | 31% | 0.312 | C | S | . | . | trans | -86.6 | -18.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y139 Q142 N187 P198 C201 | Y139-A185 HydrophobicContact CD1-CB 4.07Å; Q142-A185 HydrophobicContact CB-CB 4.46Å; Q142-A185 WeakPolarHBondContact CG-O 3.07Å; A185-N187 PolarHBondContact O-N 3.34Å; A185-P198 HydrophobicContact CB-CB 4.08Å; A185-P198 HydrophobicContact CB-CG 4.25Å; A185-P198 WeakPolarHBondContact O-CG 3.45Å; A185-C201 PolarHBondContact N-O 3.46Å | ||
| 186 | W | 98.1 | Very high | 97.7 | Very high | 87 Ų | 87 | 69.5 Ų | 69.5 | 33% | 0.33 | 30% | 0.304 | S | S | . | . | trans | -85.3 | 87.4 | -178.8 | -169.4 | -93.9 | 0 | 0 | 0 | 112.3 | L191 P197 P198 C201 | W186-L191 HydrophobicContact CD2-CD1 4.36Å; W186-L191 HydrophobicContact CD2-CD2 3.81Å; W186-L191 HydrophobicContact CE3-CD2 3.76Å; W186-L191 HydrophobicContact CG-CD2 4.49Å; W186-L191 HydrophobicContact CH2-CD1 3.98Å; W186-L191 HydrophobicContact CH2-CD2 3.94Å; W186-L191 HydrophobicContact CZ2-CD1 3.4Å; W186-L191 HydrophobicContact CZ2-CD2 4Å; W186-L191 HydrophobicContact CZ2-CG 4.36Å; W186-L191 HydrophobicContact CZ3-CD2 3.78Å; W186-P197 HydrophobicContact CH2-CB 4.18Å; W186-P197 HydrophobicContact CZ3-CB 3.81Å; W186-P198 HydrophobicContact CE3-CB 4.32Å; W186-P198 WeakPolarHBondContact CZ3-O 3.37Å; W186-C201 HydrophobicContact CB-CB 3.92Å; W186-C201 PolarHBondContact N-O 3.1Å | ||
| 187 | N | 97.5 | Very high | 97.5 | Very high | 27 Ų | 27 | 69.7 Ų | 69.7 | 14% | 0.144 | 31% | 0.305 | C | S | . | . | trans | -98.9 | 106.2 | 177.2 | 176.7 | -12.3 | 0 | 0 | 0 | 111.3 | Q142 A185 K189 D190 L191 | Q142-N187 PolarHBondContact OE1-ND2 3.17Å; A185-N187 PolarHBondContact O-N 3.34Å; N187-K189 VanDerWaalsContact C-N 3.27Å; N187-K189 PolarHBondContact O-N 3.31Å; N187-K189 WeakPolarHBondContact OD1-CB 3.44Å; N187-K189 PolarHBondContact OD1-N 3.46Å; N187-K189 VanDerWaalsContact OD1-N 3.08Å; N187-D190 HydrophobicContact CB-CB 4.48Å; N187-D190 PolarHBondContact ND2-OD2 2.87Å; N187-D190 PolarHBondContact O-N 3.07Å; N187-D190 PolarHBondContact OD1-N 3.39Å; N187-L191 WeakPolarHBondContact O-CG 3.45Å; N187-L191 PolarHBondContact O-N 3.31Å; N187-L191 VanDerWaalsContact O-N 3.1Å | ||
| 188 | V | 97.3 | Very high | 97.5 | Very high | 110 Ų | 110 | 60.5 Ų | 60.5 | 67% | 0.667 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -35.6 | -175.4 | -178.9 | 0 | 0 | 0 | 0 | 113.1 | D190 | V188-D190 VanDerWaalsContact C-N 3.29Å; V188-D190 PolarHBondContact O-N 2.64Å |
| 189 | K | 97.1 | Very high | 97.4 | Very high | 133 Ų | 133 | 61.2 Ų | 61.2 | 58% | 0.578 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -37.1 | 179.4 | -175.4 | -168.7 | 169.2 | -153.9 | 0 | 111 | E149 N187 | E149-K189 IonicContact OE2-NZ 3.58Å; E149-K189 PolarHBondContact OE2-NZ 2.81Å; N187-K189 VanDerWaalsContact C-N 3.27Å; N187-K189 PolarHBondContact O-N 3.31Å; N187-K189 WeakPolarHBondContact OD1-CB 3.44Å; N187-K189 PolarHBondContact OD1-N 3.46Å; N187-K189 VanDerWaalsContact OD1-N 3.08Å |
| 190 | D | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -6.7 | -170.9 | -66.8 | -32.1 | 0 | 0 | 0 | 114.4 | P137 N187 V188 R192 K193 M194 | P137-D190 HydrophobicContact CG-CB 3.9Å; N187-D190 HydrophobicContact CB-CB 4.48Å; N187-D190 PolarHBondContact ND2-OD2 2.87Å; N187-D190 PolarHBondContact O-N 3.07Å; N187-D190 PolarHBondContact OD1-N 3.39Å; V188-D190 VanDerWaalsContact C-N 3.29Å; V188-D190 PolarHBondContact O-N 2.64Å; D190-R192 PolarHBondContact O-N 3.14Å; D190-R192 VanDerWaalsContact O-N 3.07Å; D190-K193 WeakPolarHBondContact O-CA 3.37Å; D190-K193 WeakPolarHBondContact O-CB 3.31Å; D190-K193 PolarHBondContact O-N 3.02Å; D190-K193 IonicContact OD1-NZ 2.64Å; D190-K193 PolarHBondContact OD1-NZ 3.49Å; D190-M194 HydrophobicContact CB-CE 3.96Å; D190-M194 PolarHBondContact O-N 2.9Å |
| 191 | L | 97.5 | Very high | 97.4 | Very high | 34 Ų | 34 | 44.2 Ų | 44.2 | 18% | 0.178 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -51.3 | -39 | -177.9 | -66.8 | 177.6 | 0 | 0 | 0 | 113.4 | W186 N187 K193 M194 P197 | W186-L191 HydrophobicContact CD2-CD1 4.36Å; W186-L191 HydrophobicContact CD2-CD2 3.81Å; W186-L191 HydrophobicContact CE3-CD2 3.76Å; W186-L191 HydrophobicContact CG-CD2 4.49Å; W186-L191 HydrophobicContact CH2-CD1 3.98Å; W186-L191 HydrophobicContact CH2-CD2 3.94Å; W186-L191 HydrophobicContact CZ2-CD1 3.4Å; W186-L191 HydrophobicContact CZ2-CD2 4Å; W186-L191 HydrophobicContact CZ2-CG 4.36Å; W186-L191 HydrophobicContact CZ3-CD2 3.78Å; N187-L191 WeakPolarHBondContact O-CG 3.45Å; N187-L191 PolarHBondContact O-N 3.31Å; N187-L191 VanDerWaalsContact O-N 3.1Å; L191-K193 PolarHBondContact O-N 3.31Å; L191-M194 HydrophobicContact CD2-CE 4.44Å; L191-M194 HydrophobicContact CD2-SD 4.03Å; L191-M194 PolarHBondContact O-N 2.75Å; L191-P197 HydrophobicContact CD2-CB 4.33Å |
| 192 | R | 96.7 | Very high | 97.4 | Very high | 230 Ų | 230 | 47 Ų | 47 | 87% | 0.868 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -74.6 | -7.6 | -179.9 | -63 | -173.1 | -178 | -165.5 | 0.4 | 113.7 | F127 D190 | F127-R192 VanDerWaalsContact CZ-O 3.27Å; F127-R192 WeakPolarHBondContact CZ-O 3.14Å; D190-R192 PolarHBondContact O-N 3.14Å; D190-R192 VanDerWaalsContact O-N 3.07Å |
| 193 | K | 97.8 | Very high | 97.4 | Very high | 47 Ų | 47 | 44 Ų | 44 | 20% | 0.204 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -98.1 | -11.9 | 175.5 | -56.5 | 177.4 | -179.5 | 174.6 | 0 | 111.6 | R130 P137 E149 D190 L191 | R130-K193 PolarHBondContact NH1-O 2.6Å; R130-K193 PolarHBondContact NH2-O 2.97Å; P137-K193 WeakPolarHBondContact CD-O 3.38Å; P137-K193 HydrophobicContact CG-CB 3.79Å; P137-K193 HydrophobicContact CG-CD 4.41Å; E149-K193 IonicContact OE1-NZ 2.82Å; E149-K193 PolarHBondContact OE1-NZ 2.76Å; E149-K193 IonicContact OE2-NZ 3.14Å; D190-K193 WeakPolarHBondContact O-CA 3.37Å; D190-K193 WeakPolarHBondContact O-CB 3.31Å; D190-K193 PolarHBondContact O-N 3.02Å; D190-K193 IonicContact OD1-NZ 2.64Å; D190-K193 PolarHBondContact OD1-NZ 3.49Å; L191-K193 PolarHBondContact O-N 3.31Å |
| 194 | M | 97.8 | Very high | 97.4 | Very high | 6 Ų | 6 | 47.3 Ų | 47.3 | 3% | 0.03 | 23% | 0.229 | C | C | . | . | trans | -86.3 | 135.2 | -176.7 | -62.9 | 161.5 | -174.6 | 0 | 0 | 110.2 | P137 V138 Q142 D190 L191 L196 P198 | P137-M194 HydrophobicContact CG-CG 4.21Å; P137-M194 WeakPolarHBondContact O-CE 3.09Å; V138-M194 HydrophobicContact CG1-CB 4.05Å; V138-M194 HydrophobicContact CG1-CG 4.24Å; Q142-M194 HydrophobicContact CG-CE 3.9Å; D190-M194 HydrophobicContact CB-CE 3.96Å; D190-M194 PolarHBondContact O-N 2.9Å; L191-M194 HydrophobicContact CD2-CE 4.44Å; L191-M194 HydrophobicContact CD2-SD 4.03Å; L191-M194 PolarHBondContact O-N 2.75Å; M194-L196 PolarHBondContact O-N 2.87Å; M194-P198 WeakPolarHBondContact SD-CD 3.08Å; M194-P198 HydrophobicContact SD-CG 4.09Å | ||
| 195 | A | 96.7 | Very high | 97.4 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 3% | 0.033 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -58.8 | -37.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | F121 L122 L125 L135 | F121-A195 HydrophobicContact CE1-CB 4.47Å; F121-A195 WeakPolarHBondContact CE1-O 3.29Å; L122-A195 HydrophobicContact CD2-CB 4.01Å; L125-A195 HydrophobicContact CD1-CB 4.47Å; L125-A195 WeakPolarHBondContact CD1-O 3.24Å; L135-A195 HydrophobicContact CB-CB 4.32Å; L135-A195 HydrophobicContact CD2-CB 3.99Å; L135-A195 WeakPolarHBondContact O-CB 3.45Å; L135-A195 PolarHBondContact O-N 2.62Å |
| 196 | L | 94.2 | Very high | 97.4 | Very high | 40 Ų | 40 | 52.2 Ų | 52.2 | 21% | 0.209 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -138.5 | 118.7 | 172.8 | -170.1 | 64.7 | 0 | 0 | 0 | 110.9 | W113 M194 | W113-L196 HydrophobicContact CH2-CD2 4.35Å; W113-L196 HydrophobicContact CZ3-CB 4.04Å; W113-L196 HydrophobicContact CZ3-CD2 4.17Å; M194-L196 PolarHBondContact O-N 2.87Å |
| 197 | P | 95.2 | Very high | 97.5 | Very high | 41 Ų | 41 | 49.2 Ų | 49.2 | 27% | 0.266 | 23% | 0.233 | S | C | . | . | trans | -62.5 | 136.1 | 176.3 | -27.1 | 36.1 | 0 | 0 | 0 | 113 | W186 L191 C199 R219 | W186-P197 HydrophobicContact CH2-CB 4.18Å; W186-P197 HydrophobicContact CZ3-CB 3.81Å; L191-P197 HydrophobicContact CD2-CB 4.33Å; P197-C199 PolarHBondContact O-N 3.43Å; P197-R219 PolarHBondContact O-NH2 2.8Å | ||
| 198 | P | 96.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -48 | 124.2 | -178.4 | -38.1 | 41.1 | 0 | 0 | 0 | 115.1 | Y139 A185 W186 M194 C201 R219 | Y139-P198 HydrophobicContact CD1-CB 3.89Å; Y139-P198 HydrophobicContact CD1-CG 4.02Å; Y139-P198 VanDerWaalsContact CE1-CA 3.41Å; Y139-P198 HydrophobicContact CE1-CB 3.33Å; Y139-P198 HydrophobicContact CE1-CG 3.86Å; Y139-P198 WeakPolarHBondContact OH-CA 3.42Å; A185-P198 HydrophobicContact CB-CB 4.08Å; A185-P198 HydrophobicContact CB-CG 4.25Å; A185-P198 WeakPolarHBondContact O-CG 3.45Å; W186-P198 HydrophobicContact CE3-CB 4.32Å; W186-P198 WeakPolarHBondContact CZ3-O 3.37Å; M194-P198 WeakPolarHBondContact SD-CD 3.08Å; M194-P198 HydrophobicContact SD-CG 4.09Å; P198-C201 PolarHBondContact O-SG 3.17Å; P198-C201 VanDerWaalsContact O-SG 3.35Å; P198-R219 PolarHBondContact O-NE 3.3Å; P198-R219 PolarHBondContact O-NH2 3.35Å | ||
| 199 | C | 97 | Very high | 97.5 | Very high | 29 Ų | 29 | 51.4 Ų | 51.4 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -81 | -45.6 | 171.4 | -75.5 | 0 | 0 | 0 | 0 | 111.3 | Y139 P197 C201 Q218 R219 | Y139-C199 PolarHBondContact OH-N 2.98Å; P197-C199 PolarHBondContact O-N 3.43Å; C199-C201 PolarHBondContact O-SG 2.79Å; C199-C201 VanDerWaalsContact O-SG 3.36Å; C199-Q218 CarbonylContact O-C 3.49Å; C199-Q218 VanDerWaalsContact O-CA 3.27Å; C199-Q218 WeakPolarHBondContact O-CA 3.34Å; C199-Q218 WeakPolarHBondContact O-CG 3.27Å; C199-R219 PolarHBondContact O-N 3.14Å |
| 200 | H | 97.9 | Very high | 97.5 | Very high | 5 Ų | 5 | 50.9 Ų | 50.9 | 2% | 0.023 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 107.8 | 170.1 | 42.8 | 76.8 | 0 | 0 | 0 | 109.8 | Y139 L216 Q218 Y234 | Y139-H200 AromaticContact CD1-CE1 3.2Å; Y139-H200 WeakPolarHBondContact CD1-CE1 3.46Å; Y139-H200 AromaticContact CD1-ND1 3.38Å; Y139-H200 WeakPolarHBondContact CD1-ND1 3.43Å; Y139-H200 AromaticContact CE1-CE1 2.95Å; Y139-H200 WeakPolarHBondContact CE1-CE1 3.14Å; Y139-H200 AromaticContact CE1-CG 3.83Å; Y139-H200 AromaticContact CE1-ND1 3.02Å; Y139-H200 WeakPolarHBondContact CE1-ND1 3.32Å; Y139-H200 AromaticContact CE1-NE2 3.67Å; Y139-H200 AromaticContact CE2-CE1 3.83Å; Y139-H200 AromaticContact CG-CE1 3.73Å; Y139-H200 AromaticContact CZ-CE1 3.28Å; Y139-H200 AromaticContact CZ-ND1 3.73Å; Y139-H200 AromaticContact CZ-NE2 3.53Å; H200-L216 HydrophobicContact CB-CD1 3.51Å; H200-L216 HydrophobicContact CB-CD2 3.98Å; H200-L216 HydrophobicContact CB-CG 4.3Å; H200-Q218 HydrophobicContact CB-CB 4.41Å; H200-Y234 HydrophobicContact CB-CE2 4.01Å; H200-Y234 AromaticContact CG-CE2 3.76Å; H200-Y234 AromaticContact CG-CZ 3.97Å; H200-Y234 AromaticContact ND1-CE2 3.89Å; H200-Y234 AromaticContact ND1-CZ 3.8Å; H200-Y234 PolarHBondContact ND1-OH 3.35Å |
| 201 | C | 97.4 | Very high | 97.5 | Very high | 10 Ų | 10 | 52.8 Ų | 52.8 | 7% | 0.068 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -34.9 | -158.8 | -61.1 | 0 | 0 | 0 | 0 | 113.8 | A185 W186 P198 C199 Y217 R219 | A185-C201 PolarHBondContact N-O 3.46Å; W186-C201 HydrophobicContact CB-CB 3.92Å; W186-C201 PolarHBondContact N-O 3.1Å; P198-C201 PolarHBondContact O-SG 3.17Å; P198-C201 VanDerWaalsContact O-SG 3.35Å; C199-C201 PolarHBondContact O-SG 2.79Å; C199-C201 VanDerWaalsContact O-SG 3.36Å; C201-Y217 HydrophobicContact CB-CD1 4.37Å; C201-Y217 PolarHBondContact N-O 3.49Å; C201-R219 VanDerWaalsContact SG-CG 3.53Å |
| 202 | L | 98.6 | Very high | 97.6 | Very high | 59 Ų | 59 | 51.1 Ų | 51.1 | 31% | 0.309 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 127.5 | -172.2 | 178.4 | 82.7 | 0 | 0 | 0 | 108.3 | M182 I183 V184 Y217 | M182-L202 HydrophobicContact SD-CD1 4.5Å; I183-L202 WeakPolarHBondContact O-CA 2.92Å; V184-L202 HydrophobicContact CB-CD1 4.46Å; V184-L202 HydrophobicContact CG1-CD1 4.49Å; V184-L202 HydrophobicContact CG2-CD1 3.77Å; L202-Y217 PolarHBondContact N-O 3.07Å; L202-Y217 PolarHBondContact O-N 3.38Å |
| 203 | V | 98.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 132.6 | 168.9 | 55.5 | 0 | 0 | 0 | 0 | 109.4 | M182 I183 F205 C214 Q215 Y234 | M182-V203 CarbonylContact C-O 3.53Å; M182-V203 WeakPolarHBondContact CA-O 3.44Å; M182-V203 WeakPolarHBondContact CB-O 3.34Å; I183-V203 HydrophobicContact CB-CG1 3.59Å; I183-V203 HydrophobicContact CD1-CG1 4.25Å; I183-V203 HydrophobicContact CG1-CG1 4.12Å; I183-V203 PolarHBondContact N-O 3.05Å; I183-V203 PolarHBondContact O-N 3.22Å; V203-F205 HydrophobicContact CG1-CE2 4.13Å; V203-F205 HydrophobicContact CG1-CZ 4.43Å; V203-F205 HydrophobicContact CG2-CD2 4.46Å; V203-F205 HydrophobicContact CG2-CE1 4.34Å; V203-F205 HydrophobicContact CG2-CE2 3.89Å; V203-F205 HydrophobicContact CG2-CZ 3.82Å; V203-C214 WeakPolarHBondContact CG2-SG 3.47Å; V203-Q215 CarbonylContact C-O 3.51Å; V203-Q215 WeakPolarHBondContact CA-O 3.37Å; V203-Y234 HydrophobicContact CB-CD1 4.31Å; V203-Y234 HydrophobicContact CB-CE1 3.84Å; V203-Y234 HydrophobicContact CG1-CE1 4.05Å; V203-Y234 HydrophobicContact CG2-CD1 4.08Å; V203-Y234 HydrophobicContact CG2-CE1 4.11Å |
| 204 | Q | 98.8 | Very high | 97.7 | Very high | 70 Ų | 70 | 39 Ų | 39 | 33% | 0.327 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 135.3 | 174.6 | 179.5 | 172.2 | 25.2 | 0 | 0 | 109.4 | R179 I181 M182 C214 Q215 | R179-Q204 PolarHBondContact O-NE2 3.09Å; I181-Q204 WeakPolarHBondContact O-CA 3.26Å; M182-Q204 HydrophobicContact CG-CB 3.8Å; M182-Q204 HydrophobicContact CG-CG 3.73Å; M182-Q204 HydrophobicContact SD-CB 4.22Å; M182-Q204 HydrophobicContact SD-CG 4.15Å; Q204-C214 CarbonylContact O-C 3.57Å; Q204-C214 WeakPolarHBondContact O-CA 3.4Å; Q204-Q215 PolarHBondContact N-O 3.26Å; Q204-Q215 PolarHBondContact O-N 3.33Å |
| 205 | F | 98.9 | Very high | 97.8 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 150.7 | 175.9 | -60.6 | -88.2 | 0 | 0 | 0 | 110.7 | V168 I181 I183 V203 L212 S213 C214 L237 I241 | V168-F205 HydrophobicContact CG1-CD2 3.62Å; V168-F205 HydrophobicContact CG1-CE2 3.72Å; V168-F205 HydrophobicContact CG1-CG 4.28Å; V168-F205 HydrophobicContact CG1-CZ 4.46Å; V168-F205 HydrophobicContact CG2-CD2 4.15Å; V168-F205 HydrophobicContact CG2-CE2 4.25Å; I181-F205 HydrophobicContact CB-CB 4.24Å; I181-F205 HydrophobicContact CG2-CB 3.68Å; I181-F205 HydrophobicContact CG2-CD2 4.13Å; I181-F205 HydrophobicContact CG2-CG 4.29Å; I181-F205 PolarHBondContact O-N 3.41Å; I183-F205 HydrophobicContact CD1-CE2 4.27Å; I183-F205 HydrophobicContact CG1-CE2 4.4Å; V203-F205 HydrophobicContact CG1-CE2 4.13Å; V203-F205 HydrophobicContact CG1-CZ 4.43Å; V203-F205 HydrophobicContact CG2-CD2 4.46Å; V203-F205 HydrophobicContact CG2-CE1 4.34Å; V203-F205 HydrophobicContact CG2-CE2 3.89Å; V203-F205 HydrophobicContact CG2-CZ 3.82Å; F205-L212 HydrophobicContact CB-CD1 4.04Å; F205-L212 HydrophobicContact CD1-CD1 4.25Å; F205-L212 HydrophobicContact CD1-CD2 4.35Å; F205-L212 HydrophobicContact CD1-CG 4.39Å; F205-S213 CarbonylContact C-O 3.55Å; F205-S213 VanDerWaalsContact CA-O 3.32Å; F205-S213 WeakPolarHBondContact CA-O 3.44Å; F205-C214 HydrophobicContact CD1-CB 3.96Å; F205-C214 HydrophobicContact CE1-CB 3.98Å; F205-L237 HydrophobicContact CZ-CD2 4.09Å; F205-L237 HydrophobicContact CZ-CG 4.45Å; F205-I241 HydrophobicContact CE1-CD1 3.67Å; F205-I241 HydrophobicContact CE2-CD1 4.3Å; F205-I241 HydrophobicContact CZ-CD1 3.52Å |
| 206 | Y | 98.7 | Very high | 97.9 | Very high | 159 Ų | 159 | 42.4 Ų | 42.4 | 62% | 0.624 | 22% | 0.22 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 122.3 | -178.4 | -178.1 | -104 | 0 | 0 | 0 | 109.5 | A208 S213 | Y206-A208 HydrophobicContact CD1-CB 4.14Å; Y206-A208 HydrophobicContact CE1-CB 3.42Å; Y206-A208 VanDerWaalsContact CE1-CB 3.42Å; Y206-S213 PolarHBondContact N-O 3.07Å; Y206-S213 PolarHBondContact O-N 3.48Å |
| 207 | V | 98.8 | Very high | 98.1 | Very high | 24 Ų | 24 | 44.8 Ų | 44.8 | 15% | 0.145 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 123 | 177.3 | -176 | 0 | 0 | 0 | 0 | 109.3 | I172 P176 E211 L212 L247 | I172-V207 HydrophobicContact CG1-CG2 4.22Å; I172-V207 HydrophobicContact CG2-CG2 4.05Å; P176-V207 HydrophobicContact CB-CB 3.77Å; P176-V207 HydrophobicContact CB-CG1 3.72Å; P176-V207 HydrophobicContact CB-CG2 4.03Å; V207-E211 WeakPolarHBondContact CA-O 3.5Å; V207-L212 HydrophobicContact CG2-CD1 3.71Å; V207-L247 HydrophobicContact CG1-CD1 3.82Å; V207-L247 HydrophobicContact CG1-CD2 4.24Å; V207-L247 HydrophobicContact CG2-CD1 3.95Å |
| 208 | A | 98 | Very high | 98.3 | Very high | 29 Ų | 29 | 43 Ų | 43 | 24% | 0.24 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 142.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y206 D210 E211 | Y206-A208 HydrophobicContact CD1-CB 4.14Å; Y206-A208 HydrophobicContact CE1-CB 3.42Å; Y206-A208 VanDerWaalsContact CE1-CB 3.42Å; A208-D210 VanDerWaalsContact C-N 3.29Å; A208-D210 PolarHBondContact O-N 3.36Å; A208-E211 PolarHBondContact N-O 3.2Å; A208-E211 WeakPolarHBondContact O-CB 3.37Å; A208-E211 PolarHBondContact O-N 2.7Å |
| 209 | N | 96.6 | Very high | 98.3 | Very high | 153 Ų | 153 | 46.8 Ų | 46.8 | 82% | 0.818 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52 | 43.6 | 177.7 | -53.7 | -39.4 | 0 | 0 | 0 | 113.7 | E211 | N209-E211 PolarHBondContact O-N 2.82Å; N209-E211 VanDerWaalsContact O-N 3.12Å |
| 210 | D | 97.8 | Very high | 98.3 | Very high | 123 Ų | 123 | 46.8 Ų | 46.8 | 66% | 0.658 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 18.7 | -175.4 | -54.4 | -43.8 | 0 | 0 | 0 | 114.8 | A208 K248 | A208-D210 VanDerWaalsContact C-N 3.29Å; A208-D210 PolarHBondContact O-N 3.36Å; D210-K248 PolarHBondContact O-N 3.35Å |
| 211 | E | 98.7 | Very high | 98.3 | Very high | 39 Ų | 39 | 46.5 Ų | 46.5 | 18% | 0.182 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 140.6 | 175.6 | -64.6 | -179.4 | 166.6 | 0 | 0 | 111.7 | R71 V207 A208 N209 K248 | R71-E211 WeakPolarHBondContact CD-OE1 3.47Å; R71-E211 IonicContact CZ-OE2 2.88Å; R71-E211 VanDerWaalsContact NE-CD 3.29Å; R71-E211 IonicContact NE-OE1 3.45Å; R71-E211 PolarHBondContact NE-OE1 2.85Å; R71-E211 IonicContact NE-OE2 3.58Å; R71-E211 PolarHBondContact NE-OE2 2.87Å; R71-E211 IonicContact NH2-OE2 3.68Å; R71-E211 PolarHBondContact NH2-OE2 2.71Å; V207-E211 WeakPolarHBondContact CA-O 3.5Å; A208-E211 PolarHBondContact N-O 3.2Å; A208-E211 WeakPolarHBondContact O-CB 3.37Å; A208-E211 PolarHBondContact O-N 2.7Å; N209-E211 PolarHBondContact O-N 2.82Å; N209-E211 VanDerWaalsContact O-N 3.12Å; E211-K248 CarbonylContact C-O 2.93Å; E211-K248 WeakPolarHBondContact CA-O 3.46Å; E211-K248 HydrophobicContact CG-CB 4.14Å |
| 212 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 121 | 170.4 | -176.9 | 70.7 | 0 | 0 | 0 | 109.9 | I172 F205 V207 T238 I241 A242 L247 K248 G250 | I172-L212 HydrophobicContact CD1-CD1 3.7Å; I172-L212 HydrophobicContact CD1-CD2 4.22Å; I172-L212 HydrophobicContact CG1-CD1 4.21Å; F205-L212 HydrophobicContact CB-CD1 4.04Å; F205-L212 HydrophobicContact CD1-CD1 4.25Å; F205-L212 HydrophobicContact CD1-CD2 4.35Å; F205-L212 HydrophobicContact CD1-CG 4.39Å; V207-L212 HydrophobicContact CG2-CD1 3.71Å; L212-T238 HydrophobicContact CD2-CG2 4.34Å; L212-T238 HydrophobicContact CG-CG2 4.25Å; L212-T238 WeakPolarHBondContact O-CG2 3.29Å; L212-I241 HydrophobicContact CD2-CB 3.73Å; L212-I241 HydrophobicContact CD2-CG2 3.48Å; L212-I241 VanDerWaalsContact CD2-CG2 3.48Å; L212-A242 HydrophobicContact CB-CB 3.99Å; L212-A242 HydrophobicContact CD2-CB 4.04Å; L212-L247 HydrophobicContact CB-CB 4.32Å; L212-L247 HydrophobicContact CB-CD1 4.02Å; L212-L247 HydrophobicContact CD1-CD1 4.47Å; L212-K248 PolarHBondContact N-O 2.97Å; L212-G250 PolarHBondContact O-N 3.19Å |
| 213 | S | 98.8 | Very high | 98.2 | Very high | 20 Ų | 20 | 44.3 Ų | 44.3 | 14% | 0.14 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 159.1 | 171.1 | -58.4 | 0 | 0 | 0 | 0 | 110.9 | F205 Y206 E251 | F205-S213 CarbonylContact C-O 3.55Å; F205-S213 VanDerWaalsContact CA-O 3.32Å; F205-S213 WeakPolarHBondContact CA-O 3.44Å; Y206-S213 PolarHBondContact N-O 3.07Å; Y206-S213 PolarHBondContact O-N 3.48Å; S213-E251 CarbonylContact C-O 3.56Å; S213-E251 WeakPolarHBondContact CA-O 3.33Å; S213-E251 VanDerWaalsContact CB-O 3.29Å; S213-E251 WeakPolarHBondContact CB-O 3.47Å; S213-E251 PolarHBondContact OG-N 2.87Å |
| 214 | C | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.014 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 132.9 | -178.2 | 163.4 | 0 | 0 | 0 | 0 | 110 | V203 Q204 F205 T238 E251 F252 V253 | V203-C214 WeakPolarHBondContact CG2-SG 3.47Å; Q204-C214 CarbonylContact O-C 3.57Å; Q204-C214 WeakPolarHBondContact O-CA 3.4Å; F205-C214 HydrophobicContact CD1-CB 3.96Å; F205-C214 HydrophobicContact CE1-CB 3.98Å; C214-T238 HydrophobicContact CB-CG2 4.02Å; C214-T238 WeakPolarHBondContact CB-OG1 3.27Å; C214-E251 PolarHBondContact N-O 3.27Å; C214-F252 HydrophobicContact CB-CD2 4.4Å; C214-F252 CarbonylContact O-C 3.38Å; C214-F252 WeakPolarHBondContact O-CA 3.45Å; C214-V253 PolarHBondContact O-N 3.28Å |
| 215 | Q | 98.8 | Very high | 97.9 | Very high | 81 Ų | 81 | 43.6 Ų | 43.6 | 38% | 0.379 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 121.4 | 168.4 | -178.9 | 173.3 | -17.5 | 0 | 0 | 110.1 | V203 Q204 V253 T255 | V203-Q215 CarbonylContact C-O 3.51Å; V203-Q215 WeakPolarHBondContact CA-O 3.37Å; Q204-Q215 PolarHBondContact N-O 3.26Å; Q204-Q215 PolarHBondContact O-N 3.33Å; Q215-V253 CarbonylContact C-O 3.57Å; Q215-V253 VanDerWaalsContact CA-O 3.29Å; Q215-V253 WeakPolarHBondContact CA-O 3.24Å; Q215-V253 HydrophobicContact CB-CB 4.14Å; Q215-V253 HydrophobicContact CG-CB 4.08Å; Q215-V253 HydrophobicContact CG-CG1 4.06Å; Q215-T255 PolarHBondContact NE2-OG1 2.61Å |
| 216 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 132.1 | 173.2 | 169.1 | 63 | 0 | 0 | 0 | 110.5 | H200 Q218 Y234 F252 V253 T255 | H200-L216 HydrophobicContact CB-CD1 3.51Å; H200-L216 HydrophobicContact CB-CD2 3.98Å; H200-L216 HydrophobicContact CB-CG 4.3Å; L216-Q218 HydrophobicContact CD2-CB 4.41Å; L216-Q218 HydrophobicContact CG-CB 4.39Å; L216-Y234 HydrophobicContact CB-CD1 4.43Å; L216-Y234 HydrophobicContact CD1-CD1 4.45Å; L216-Y234 HydrophobicContact CD1-CE1 3.97Å; L216-Y234 HydrophobicContact CD1-CE2 4.26Å; L216-Y234 HydrophobicContact CD2-CD1 4.43Å; L216-Y234 HydrophobicContact CD2-CD2 3.69Å; L216-Y234 HydrophobicContact CD2-CE2 3.8Å; L216-Y234 HydrophobicContact CD2-CG 4.01Å; L216-F252 HydrophobicContact CB-CE2 3.69Å; L216-F252 HydrophobicContact CB-CZ 4Å; L216-F252 HydrophobicContact CD2-CE2 4.46Å; L216-F252 HydrophobicContact CD2-CZ 4.12Å; L216-V253 PolarHBondContact N-O 2.96Å; L216-T255 PolarHBondContact O-N 3.14Å |
| 217 | Y | 98.7 | Very high | 97.7 | Very high | 91 Ų | 91 | 36.9 Ų | 36.9 | 36% | 0.357 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 118.3 | 158.9 | 176.8 | -102.3 | 0 | 0 | 0 | 110.7 | C201 L202 R219 T255 | C201-Y217 HydrophobicContact CB-CD1 4.37Å; C201-Y217 PolarHBondContact N-O 3.49Å; L202-Y217 PolarHBondContact N-O 3.07Å; L202-Y217 PolarHBondContact O-N 3.38Å; Y217-R219 HydrophobicContact CE1-CB 4.17Å; Y217-T255 CarbonylContact C-O 3.5Å; Y217-T255 WeakPolarHBondContact CA-O 3.25Å; Y217-T255 HydrophobicContact CD2-CG2 4Å |
| 218 | Q | 98.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 1% | 0.014 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 110.8 | 177.5 | 171.9 | 164.3 | -3.5 | 0 | 0 | 109.8 | C199 H200 L216 S220 N230 H254 T255 I256 G257 | C199-Q218 CarbonylContact O-C 3.49Å; C199-Q218 VanDerWaalsContact O-CA 3.27Å; C199-Q218 WeakPolarHBondContact O-CA 3.34Å; C199-Q218 WeakPolarHBondContact O-CG 3.27Å; H200-Q218 HydrophobicContact CB-CB 4.41Å; L216-Q218 HydrophobicContact CD2-CB 4.41Å; L216-Q218 HydrophobicContact CG-CB 4.39Å; Q218-S220 WeakPolarHBondContact CG-O 3.39Å; Q218-S220 PolarHBondContact NE2-O 2.94Å; Q218-S220 PolarHBondContact O-N 3.05Å; Q218-N230 VanDerWaalsContact CD-ND2 3.28Å; Q218-N230 PolarHBondContact NE2-ND2 3.36Å; Q218-N230 PolarHBondContact OE1-ND2 2.83Å; Q218-H254 PolarHBondContact OE1-CE1 2.69Å; Q218-H254 PolarHBondContact OE1-NE2 3.06Å; Q218-T255 PolarHBondContact N-O 2.87Å; Q218-I256 CarbonylContact O-C 3.59Å; Q218-I256 WeakPolarHBondContact O-CA 3.31Å; Q218-G257 PolarHBondContact O-N 3Å |
| 219 | R | 97.8 | Very high | 97.7 | Very high | 80 Ų | 80 | 35.5 Ų | 35.5 | 30% | 0.302 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63 | -27.6 | -175.9 | 71.9 | 176.4 | 175.5 | 83.6 | 3 | 113.4 | P197 P198 C199 C201 Y217 D258 | P197-R219 PolarHBondContact O-NH2 2.8Å; P198-R219 PolarHBondContact O-NE 3.3Å; P198-R219 PolarHBondContact O-NH2 3.35Å; C199-R219 PolarHBondContact O-N 3.14Å; C201-R219 VanDerWaalsContact SG-CG 3.53Å; Y217-R219 HydrophobicContact CE1-CB 4.17Å; R219-D258 PolarHBondContact O-N 3.28Å |
| 220 | S | 96.4 | Very high | 97.8 | Very high | 28 Ų | 28 | 28.8 Ų | 28.8 | 20% | 0.196 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 115.3 | -172.6 | 179.4 | 0 | 0 | 0 | 0 | 109 | Q218 D258 H260 | Q218-S220 WeakPolarHBondContact CG-O 3.39Å; Q218-S220 PolarHBondContact NE2-O 2.94Å; Q218-S220 PolarHBondContact O-N 3.05Å; S220-D258 CarbonylContact C-O 3.55Å; S220-H260 PolarHBondContact OG-CE1 2.78Å; S220-H260 VanDerWaalsContact OG-CE1 3.31Å |
| 221 | G | 97.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 98.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | M223 D258 H260 | G221-M223 PolarHBondContact O-N 2.83Å; G221-D258 PolarHBondContact N-O 3.39Å; G221-H260 PolarHBondContact O-N 2.83Å |
| 222 | D | 96.1 | Very high | 97.8 | Very high | 23 Ų | 23 | 21.1 Ų | 21.1 | 12% | 0.123 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 104.1 | 164.4 | 171.2 | 11.7 | 0 | 0 | 0 | 109 | G224 L225 G226 V227 Y262 H265 | D222-G224 PolarHBondContact O-N 3.47Å; D222-G224 WeakPolarHBondContact OD1-CA 3.46Å; D222-G224 PolarHBondContact OD1-N 2.73Å; D222-L225 PolarHBondContact OD1-N 2.61Å; D222-L225 VanDerWaalsContact OD2-CB 3.32Å; D222-L225 WeakPolarHBondContact OD2-CB 3.37Å; D222-L225 PolarHBondContact OD2-N 3.11Å; D222-G226 PolarHBondContact O-N 3.29Å; D222-G226 VanDerWaalsContact O-N 3.12Å; D222-G226 PolarHBondContact OD2-N 2.94Å; D222-V227 WeakPolarHBondContact O-CG2 3.32Å; D222-V227 PolarHBondContact O-N 2.79Å; D222-Y262 HydrophobicContact CB-CD2 4.44Å; D222-Y262 HydrophobicContact CB-CE2 3.96Å; D222-H265 IonicContact OD1-ND1 3.79Å; D222-H265 IonicContact OD2-CE1 2.84Å |
| 223 | M | 97.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -23.1 | -178.7 | -64.7 | -57.8 | -56.5 | 0 | 0 | 112.3 | Y36 L39 L40 I43 G221 V227 I256 A259 H260 I261 | Y36-M223 HydrophobicContact CD2-CE 3.7Å; Y36-M223 HydrophobicContact CE2-CE 3.65Å; Y36-M223 WeakPolarHBondContact CE2-O 3.39Å; Y36-M223 PolarHBondContact OH-O 3.12Å; L39-M223 HydrophobicContact CB-CE 4.44Å; L39-M223 HydrophobicContact CD2-CE 3.56Å; L39-M223 HydrophobicContact CD2-SD 4.08Å; L39-M223 HydrophobicContact CG-CE 3.93Å; L40-M223 HydrophobicContact CD2-CB 3.63Å; I43-M223 HydrophobicContact CD1-CG 3.71Å; G221-M223 PolarHBondContact O-N 2.83Å; M223-V227 HydrophobicContact CE-CG1 4.08Å; M223-V227 HydrophobicContact SD-CB 4.13Å; M223-V227 HydrophobicContact SD-CG1 4.09Å; M223-V227 HydrophobicContact SD-CG2 3.77Å; M223-I256 HydrophobicContact SD-CD1 3.96Å; M223-A259 HydrophobicContact CG-CB 4.36Å; M223-A259 HydrophobicContact SD-CB 4.02Å; M223-H260 WeakPolarHBondContact CB-O 3.4Å; M223-H260 WeakPolarHBondContact CG-O 3.43Å; M223-H260 PolarHBondContact N-O 3.16Å; M223-I261 HydrophobicContact CB-CG1 4.04Å |
| 224 | G | 96.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -52.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | K81 D222 M313 | K81-G224 PolarHBondContact NZ-O 2.77Å; D222-G224 PolarHBondContact O-N 3.47Å; D222-G224 WeakPolarHBondContact OD1-CA 3.46Å; D222-G224 PolarHBondContact OD1-N 2.73Å; G224-M313 VanDerWaalsContact O-CE 3.31Å; G224-M313 WeakPolarHBondContact O-CE 3.47Å |
| 225 | L | 95.1 | Very high | 97.8 | Very high | 56 Ų | 56 | 20.2 Ų | 20.2 | 29% | 0.293 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -54.4 | -177.1 | -62.2 | 169 | 0 | 0 | 0 | 113 | D222 P228 M313 M315 | D222-L225 PolarHBondContact OD1-N 2.61Å; D222-L225 VanDerWaalsContact OD2-CB 3.32Å; D222-L225 WeakPolarHBondContact OD2-CB 3.37Å; D222-L225 PolarHBondContact OD2-N 3.11Å; L225-P228 WeakPolarHBondContact O-CD 3.18Å; L225-M313 HydrophobicContact CD1-CB 4.33Å; L225-M313 HydrophobicContact CD2-CB 4.08Å; L225-M313 HydrophobicContact CD2-CE 3.93Å; L225-M313 HydrophobicContact CG-CB 4.3Å; L225-M313 HydrophobicContact CG-CE 4.47Å; L225-M315 HydrophobicContact CD1-CG 4.03Å |
| 226 | G | 95.9 | Very high | 97.8 | Very high | 22 Ų | 22 | 16.4 Ų | 16.4 | 23% | 0.227 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -66 | -49.1 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115 | D222 F229 N230 | D222-G226 PolarHBondContact O-N 3.29Å; D222-G226 VanDerWaalsContact O-N 3.12Å; D222-G226 PolarHBondContact OD2-N 2.94Å; G226-F229 WeakPolarHBondContact O-CB 3.06Å; G226-F229 PolarHBondContact O-N 3.29Å; G226-F229 VanDerWaalsContact O-N 3.14Å; G226-N230 PolarHBondContact O-N 3.18Å; G226-N230 PolarHBondContact O-ND2 3.09Å; G226-N230 PolarHBondContact O-OD1 2.83Å |
| 227 | V | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61.5 | -47.8 | -176.3 | 167.4 | 0 | 0 | 0 | 0 | 112.4 | Y36 L66 D222 M223 F229 N230 I231 I256 | Y36-V227 HydrophobicContact CD2-CG1 4.29Å; Y36-V227 HydrophobicContact CE2-CG1 4.24Å; L66-V227 HydrophobicContact CD1-CG1 4.45Å; D222-V227 WeakPolarHBondContact O-CG2 3.32Å; D222-V227 PolarHBondContact O-N 2.79Å; M223-V227 HydrophobicContact CE-CG1 4.08Å; M223-V227 HydrophobicContact SD-CB 4.13Å; M223-V227 HydrophobicContact SD-CG1 4.09Å; M223-V227 HydrophobicContact SD-CG2 3.77Å; V227-F229 PolarHBondContact O-N 2.88Å; V227-N230 PolarHBondContact O-N 3.08Å; V227-N230 VanDerWaalsContact O-N 3.16Å; V227-I231 HydrophobicContact CG1-CD1 3.71Å; V227-I231 HydrophobicContact CG1-CG1 4.24Å; V227-I231 WeakPolarHBondContact O-CD1 3.36Å; V227-I231 VanDerWaalsContact O-CG1 3.26Å; V227-I231 WeakPolarHBondContact O-CG1 3.38Å; V227-I231 PolarHBondContact O-N 3.29Å; V227-I256 HydrophobicContact CG1-CD1 4.14Å; V227-I256 HydrophobicContact CG2-CD1 3.94Å |
| 228 | P | 98.2 | Very high | 97.8 | Very high | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.006 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -52.3 | -39.8 | 172.2 | -31.3 | 37.7 | 0 | 0 | 0 | 114.3 | Y36 L78 L225 | Y36-P228 HydrophobicContact CE2-CG 3.93Å; Y36-P228 WeakPolarHBondContact OH-CG 3.31Å; L78-P228 HydrophobicContact CD1-CB 3.63Å; L78-P228 HydrophobicContact CD1-CG 3.66Å; L78-P228 HydrophobicContact CG-CB 4.14Å; L225-P228 WeakPolarHBondContact O-CD 3.18Å |
| 229 | F | 97.7 | Very high | 97.8 | Very high | 23 Ų | 23 | 12.5 Ų | 12.5 | 10% | 0.101 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -68.7 | -46 | 178.4 | -168.7 | -79 | 0 | 0 | 0 | 111.2 | I88 E91 F112 G226 V227 I231 A232 S233 | I88-F229 HydrophobicContact CB-CE1 4.43Å; I88-F229 HydrophobicContact CB-CE2 4.15Å; I88-F229 HydrophobicContact CB-CZ 4.06Å; I88-F229 HydrophobicContact CD1-CD2 4.27Å; I88-F229 HydrophobicContact CD1-CE2 4.48Å; I88-F229 HydrophobicContact CG1-CD1 4.17Å; I88-F229 HydrophobicContact CG1-CD2 3.46Å; I88-F229 VanDerWaalsContact CG1-CD2 3.46Å; I88-F229 HydrophobicContact CG1-CE1 4.01Å; I88-F229 HydrophobicContact CG1-CE2 3.3Å; I88-F229 HydrophobicContact CG1-CG 3.91Å; I88-F229 HydrophobicContact CG1-CZ 3.64Å; E91-F229 HydrophobicContact CB-CZ 4.26Å; E91-F229 WeakPolarHBondContact OE2-CE1 3.17Å; F112-F229 HydrophobicContact CD2-CE2 4.17Å; F112-F229 HydrophobicContact CD2-CZ 4.15Å; F112-F229 HydrophobicContact CE1-CE2 4.34Å; F112-F229 HydrophobicContact CE2-CD2 4.42Å; F112-F229 AromaticContact CE2-CE2 3.32Å; F112-F229 HydrophobicContact CE2-CE2 3.32Å; F112-F229 AromaticContact CE2-CZ 3.6Å; F112-F229 HydrophobicContact CE2-CZ 3.6Å; F112-F229 HydrophobicContact CZ-CD2 4.18Å; F112-F229 AromaticContact CZ-CE2 3.41Å; F112-F229 HydrophobicContact CZ-CE2 3.41Å; F112-F229 VanDerWaalsContact CZ-CE2 3.41Å; F112-F229 HydrophobicContact CZ-CZ 4.17Å; G226-F229 WeakPolarHBondContact O-CB 3.06Å; G226-F229 PolarHBondContact O-N 3.29Å; G226-F229 VanDerWaalsContact O-N 3.14Å; V227-F229 PolarHBondContact O-N 2.88Å; F229-I231 PolarHBondContact O-N 2.87Å; F229-A232 PolarHBondContact O-N 3.25Å; F229-S233 WeakPolarHBondContact O-CB 3.23Å; F229-S233 PolarHBondContact O-N 3.47Å |
| 230 | N | 98.5 | Very high | 97.9 | Very high | 13 Ų | 13 | 8.7 Ų | 8.7 | 7% | 0.07 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -68.8 | -33.7 | -177.9 | -64.1 | -17.6 | 0 | 0 | 0 | 112.9 | Q218 G226 V227 A232 S233 Y234 | Q218-N230 VanDerWaalsContact CD-ND2 3.28Å; Q218-N230 PolarHBondContact NE2-ND2 3.36Å; Q218-N230 PolarHBondContact OE1-ND2 2.83Å; G226-N230 PolarHBondContact O-N 3.18Å; G226-N230 PolarHBondContact O-ND2 3.09Å; G226-N230 PolarHBondContact O-OD1 2.83Å; V227-N230 PolarHBondContact O-N 3.08Å; V227-N230 VanDerWaalsContact O-N 3.16Å; N230-A232 VanDerWaalsContact C-N 3.34Å; N230-S233 PolarHBondContact O-N 2.54Å; N230-Y234 WeakPolarHBondContact O-CD2 3.5Å; N230-Y234 PolarHBondContact O-N 2.85Å |
| 231 | I | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -56.7 | -52.2 | 172.7 | -69.1 | 159.4 | 0 | 0 | 0 | 109.9 | Y36 L66 F68 P76 V227 F229 A235 F252 | Y36-I231 HydrophobicContact CD2-CD1 4.38Å; L66-I231 HydrophobicContact CD1-CD1 4.4Å; F68-I231 HydrophobicContact CD1-CG2 4.08Å; F68-I231 HydrophobicContact CD2-CG2 3.94Å; F68-I231 HydrophobicContact CE1-CD1 4.32Å; F68-I231 HydrophobicContact CE1-CG2 3.94Å; F68-I231 HydrophobicContact CE2-CB 4.46Å; F68-I231 HydrophobicContact CE2-CD1 3.9Å; F68-I231 HydrophobicContact CE2-CG1 3.79Å; F68-I231 HydrophobicContact CE2-CG2 3.79Å; F68-I231 HydrophobicContact CG-CG2 4.08Å; F68-I231 HydrophobicContact CZ-CD1 3.49Å; F68-I231 VanDerWaalsContact CZ-CD1 3.49Å; F68-I231 HydrophobicContact CZ-CG1 3.89Å; F68-I231 HydrophobicContact CZ-CG2 3.8Å; P76-I231 HydrophobicContact CB-CG2 3.75Å; P76-I231 HydrophobicContact CG-CG2 3.84Å; P76-I231 WeakPolarHBondContact O-CG2 3.38Å; V227-I231 HydrophobicContact CG1-CD1 3.71Å; V227-I231 HydrophobicContact CG1-CG1 4.24Å; V227-I231 WeakPolarHBondContact O-CD1 3.36Å; V227-I231 VanDerWaalsContact O-CG1 3.26Å; V227-I231 WeakPolarHBondContact O-CG1 3.38Å; V227-I231 PolarHBondContact O-N 3.29Å; F229-I231 PolarHBondContact O-N 2.87Å; I231-A235 WeakPolarHBondContact O-CB 3.24Å; I231-A235 PolarHBondContact O-N 2.8Å; I231-F252 HydrophobicContact CB-CE1 4.17Å; I231-F252 HydrophobicContact CG1-CE1 4.11Å; I231-F252 HydrophobicContact CG2-CD1 4.24Å; I231-F252 HydrophobicContact CG2-CE1 4.2Å |
| 232 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -67.8 | -38.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y75 L77 I88 F229 N230 L236 | Y75-A232 HydrophobicContact CE1-CB 4.43Å; Y75-A232 WeakPolarHBondContact CE2-O 3.32Å; Y75-A232 WeakPolarHBondContact OH-CB 3.42Å; Y75-A232 PolarHBondContact OH-O 2.92Å; L77-A232 HydrophobicContact CD1-CB 3.78Å; I88-A232 HydrophobicContact CD1-CB 3.58Å; I88-A232 HydrophobicContact CG1-CB 4.47Å; I88-A232 HydrophobicContact CG2-CB 4.24Å; F229-A232 PolarHBondContact O-N 3.25Å; N230-A232 VanDerWaalsContact C-N 3.34Å; A232-L236 VanDerWaalsContact O-CB 3.3Å; A232-L236 WeakPolarHBondContact O-CB 3.29Å; A232-L236 PolarHBondContact O-N 2.94Å |
| 233 | S | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 9.1 Ų | 9.1 | 1% | 0.007 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -64.7 | -50.2 | 179.4 | -174.8 | 0 | 0 | 0 | 0 | 112.4 | F229 N230 L236 L237 | F229-S233 WeakPolarHBondContact O-CB 3.23Å; F229-S233 PolarHBondContact O-N 3.47Å; N230-S233 PolarHBondContact O-N 2.54Å; S233-L236 WeakPolarHBondContact O-CB 3.28Å; S233-L236 PolarHBondContact O-N 2.7Å; S233-L237 PolarHBondContact O-N 2.77Å |
| 234 | Y | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 9.7 Ų | 9.7 | 1% | 0.012 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -76.1 | -28.3 | -179.4 | -80.6 | -96.9 | 0 | 0 | 0 | 113.3 | W143 H200 V203 L216 N230 L236 L237 T238 F252 | W143-Y234 HydrophobicContact CZ2-CE1 4.34Å; H200-Y234 HydrophobicContact CB-CE2 4.01Å; H200-Y234 AromaticContact CG-CE2 3.76Å; H200-Y234 AromaticContact CG-CZ 3.97Å; H200-Y234 AromaticContact ND1-CE2 3.89Å; H200-Y234 AromaticContact ND1-CZ 3.8Å; H200-Y234 PolarHBondContact ND1-OH 3.35Å; V203-Y234 HydrophobicContact CB-CD1 4.31Å; V203-Y234 HydrophobicContact CB-CE1 3.84Å; V203-Y234 HydrophobicContact CG1-CE1 4.05Å; V203-Y234 HydrophobicContact CG2-CD1 4.08Å; V203-Y234 HydrophobicContact CG2-CE1 4.11Å; L216-Y234 HydrophobicContact CB-CD1 4.43Å; L216-Y234 HydrophobicContact CD1-CD1 4.45Å; L216-Y234 HydrophobicContact CD1-CE1 3.97Å; L216-Y234 HydrophobicContact CD1-CE2 4.26Å; L216-Y234 HydrophobicContact CD2-CD1 4.43Å; L216-Y234 HydrophobicContact CD2-CD2 3.69Å; L216-Y234 HydrophobicContact CD2-CE2 3.8Å; L216-Y234 HydrophobicContact CD2-CG 4.01Å; N230-Y234 WeakPolarHBondContact O-CD2 3.5Å; N230-Y234 PolarHBondContact O-N 2.85Å; Y234-L236 VanDerWaalsContact C-N 3.32Å; Y234-L237 HydrophobicContact CD1-CD2 4.09Å; Y234-L237 HydrophobicContact CE1-CD2 4.24Å; Y234-L237 PolarHBondContact O-N 2.75Å; Y234-T238 WeakPolarHBondContact O-CB 3.49Å; Y234-T238 PolarHBondContact O-N 2.77Å; Y234-T238 PolarHBondContact O-OG1 3.08Å; Y234-F252 HydrophobicContact CG-CE2 4.17Å |
| 235 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -59.4 | -45.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L70 Y75 P76 I231 T238 C239 | L70-A235 HydrophobicContact CD2-CB 3.59Å; Y75-A235 HydrophobicContact CD2-CB 4.23Å; Y75-A235 HydrophobicContact CE2-CB 3.98Å; P76-A235 HydrophobicContact CG-CB 3.49Å; P76-A235 VanDerWaalsContact CG-CB 3.49Å; I231-A235 WeakPolarHBondContact O-CB 3.24Å; I231-A235 PolarHBondContact O-N 2.8Å; A235-T238 WeakPolarHBondContact O-CB 3.38Å; A235-T238 PolarHBondContact O-N 3.06Å; A235-C239 PolarHBondContact O-N 2.73Å; A235-C239 PolarHBondContact O-SG 3.41Å |
| 236 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.8 | -46.2 | 177.2 | 179.3 | 61.1 | 0 | 0 | 0 | 111.6 | Y75 V89 L92 A232 S233 Y234 T238 C239 M240 L283 F300 | Y75-L236 HydrophobicContact CE2-CB 3.96Å; V89-L236 HydrophobicContact CB-CD2 4.29Å; V89-L236 HydrophobicContact CG1-CD2 4.5Å; V89-L236 HydrophobicContact CG2-CD2 3.76Å; L92-L236 HydrophobicContact CD2-CB 3.88Å; L92-L236 HydrophobicContact CD2-CD2 3.71Å; L92-L236 HydrophobicContact CD2-CG 3.63Å; A232-L236 VanDerWaalsContact O-CB 3.3Å; A232-L236 WeakPolarHBondContact O-CB 3.29Å; A232-L236 PolarHBondContact O-N 2.94Å; S233-L236 WeakPolarHBondContact O-CB 3.28Å; S233-L236 PolarHBondContact O-N 2.7Å; Y234-L236 VanDerWaalsContact C-N 3.32Å; L236-T238 VanDerWaalsContact C-N 3.26Å; L236-T238 PolarHBondContact O-N 3.19Å; L236-C239 WeakPolarHBondContact O-CB 3.41Å; L236-C239 PolarHBondContact O-N 2.83Å; L236-C239 VanDerWaalsContact O-N 3.1Å; L236-M240 HydrophobicContact CD1-CG 4.22Å; L236-M240 HydrophobicContact CD1-SD 4.29Å; L236-M240 HydrophobicContact CD2-SD 4.48Å; L236-M240 HydrophobicContact CG-CG 4.33Å; L236-M240 HydrophobicContact CG-SD 3.87Å; L236-M240 VanDerWaalsContact O-CG 3.26Å; L236-M240 WeakPolarHBondContact O-CG 3.08Å; L236-M240 PolarHBondContact O-N 2.72Å; L236-L283 HydrophobicContact CD1-CD2 3.51Å; L236-F300 HydrophobicContact CD1-CD1 3.63Å; L236-F300 HydrophobicContact CD1-CE1 3.58Å; L236-F300 HydrophobicContact CD1-CG 4.37Å; L236-F300 HydrophobicContact CD1-CZ 4.26Å |
| 237 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -55 | -44.3 | 174.9 | 179.6 | 63.4 | 0 | 0 | 0 | 111.4 | L92 I96 W143 F205 S233 Y234 M240 I241 | L92-L237 HydrophobicContact CD1-CB 4.14Å; L92-L237 HydrophobicContact CD1-CD1 4.27Å; L92-L237 HydrophobicContact CD2-CB 4.08Å; I96-L237 HydrophobicContact CD1-CD1 4.39Å; W143-L237 HydrophobicContact CH2-CD2 3.67Å; W143-L237 HydrophobicContact CZ3-CD1 4.14Å; W143-L237 HydrophobicContact CZ3-CD2 3.96Å; F205-L237 HydrophobicContact CZ-CD2 4.09Å; F205-L237 HydrophobicContact CZ-CG 4.45Å; S233-L237 PolarHBondContact O-N 2.77Å; Y234-L237 HydrophobicContact CD1-CD2 4.09Å; Y234-L237 HydrophobicContact CE1-CD2 4.24Å; Y234-L237 PolarHBondContact O-N 2.75Å; L237-M240 PolarHBondContact O-N 3.04Å; L237-I241 HydrophobicContact CD1-CD1 3.76Å; L237-I241 HydrophobicContact CD1-CG1 4.14Å; L237-I241 HydrophobicContact CG-CD1 3.85Å; L237-I241 WeakPolarHBondContact O-CG1 3.22Å; L237-I241 PolarHBondContact O-N 3.12Å |
| 238 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62 | -45 | 177.5 | -52.7 | 0 | 0 | 0 | 0 | 110.9 | L70 L212 C214 Y234 A235 L236 I241 A242 | L70-T238 HydrophobicContact CD1-CG2 3.66Å; L212-T238 HydrophobicContact CD2-CG2 4.34Å; L212-T238 HydrophobicContact CG-CG2 4.25Å; L212-T238 WeakPolarHBondContact O-CG2 3.29Å; C214-T238 HydrophobicContact CB-CG2 4.02Å; C214-T238 WeakPolarHBondContact CB-OG1 3.27Å; Y234-T238 WeakPolarHBondContact O-CB 3.49Å; Y234-T238 PolarHBondContact O-N 2.77Å; Y234-T238 PolarHBondContact O-OG1 3.08Å; A235-T238 WeakPolarHBondContact O-CB 3.38Å; A235-T238 PolarHBondContact O-N 3.06Å; L236-T238 VanDerWaalsContact C-N 3.26Å; L236-T238 PolarHBondContact O-N 3.19Å; T238-I241 PolarHBondContact O-N 3.3Å; T238-A242 VanDerWaalsContact O-CB 3.24Å; T238-A242 WeakPolarHBondContact O-CB 3.41Å; T238-A242 PolarHBondContact O-N 2.91Å |
| 239 | C | 98.8 | Very high | 98.7 | Very high | 13 Ų | 13 | 20.1 Ų | 20.1 | 9% | 0.088 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.9 | -42.7 | 175.6 | -67.3 | 0 | 0 | 0 | 0 | 112.6 | A235 L236 A242 H243 P249 L283 | A235-C239 PolarHBondContact O-N 2.73Å; A235-C239 PolarHBondContact O-SG 3.41Å; L236-C239 WeakPolarHBondContact O-CB 3.41Å; L236-C239 PolarHBondContact O-N 2.83Å; L236-C239 VanDerWaalsContact O-N 3.1Å; C239-A242 PolarHBondContact O-N 3Å; C239-H243 VanDerWaalsContact O-CB 3.28Å; C239-H243 WeakPolarHBondContact O-CB 3.27Å; C239-H243 PolarHBondContact O-N 2.97Å; C239-P249 HydrophobicContact CB-CG 4.23Å; C239-L283 HydrophobicContact CB-CD2 4.3Å |
| 240 | M | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.7 | -44.8 | 178.8 | -68.3 | 168.6 | 69.8 | 0 | 0 | 112 | L92 L93 I96 L236 L237 H243 V244 I292 F295 F300 | L92-M240 HydrophobicContact CD2-SD 3.65Å; L92-M240 HydrophobicContact CG-SD 4.43Å; L93-M240 HydrophobicContact CD2-CE 3.91Å; I96-M240 HydrophobicContact CD1-CE 3.26Å; I96-M240 HydrophobicContact CD1-SD 4.07Å; L236-M240 HydrophobicContact CD1-CG 4.22Å; L236-M240 HydrophobicContact CD1-SD 4.29Å; L236-M240 HydrophobicContact CD2-SD 4.48Å; L236-M240 HydrophobicContact CG-CG 4.33Å; L236-M240 HydrophobicContact CG-SD 3.87Å; L236-M240 VanDerWaalsContact O-CG 3.26Å; L236-M240 WeakPolarHBondContact O-CG 3.08Å; L236-M240 PolarHBondContact O-N 2.72Å; L237-M240 PolarHBondContact O-N 3.04Å; M240-H243 WeakPolarHBondContact O-CB 3.29Å; M240-H243 PolarHBondContact O-N 3.15Å; M240-V244 PolarHBondContact O-N 3.48Å; M240-V244 VanDerWaalsContact O-N 3.09Å; M240-I292 HydrophobicContact CB-CD1 3.7Å; M240-I292 HydrophobicContact CE-CD1 4Å; M240-F295 HydrophobicContact CB-CD2 4.44Å; M240-F295 HydrophobicContact CB-CE2 3.9Å; M240-F295 HydrophobicContact CB-CZ 4.17Å; M240-F295 HydrophobicContact CE-CB 3.78Å; M240-F295 HydrophobicContact CE-CD1 4.42Å; M240-F295 HydrophobicContact CE-CD2 3.46Å; M240-F295 VanDerWaalsContact CE-CD2 3.46Å; M240-F295 HydrophobicContact CE-CE2 4.08Å; M240-F295 HydrophobicContact CE-CG 3.66Å; M240-F295 HydrophobicContact CG-CD2 4.46Å; M240-F295 HydrophobicContact CG-CE2 4.22Å; M240-F295 HydrophobicContact CG-CZ 4.26Å; M240-F300 HydrophobicContact CE-CZ 3.96Å; M240-F300 HydrophobicContact CG-CE1 3.74Å; M240-F300 HydrophobicContact CG-CZ 3.83Å; M240-F300 HydrophobicContact SD-CE1 4.17Å; M240-F300 HydrophobicContact SD-CZ 3.74Å |
| 241 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.7 | -43.3 | 178.1 | -65.5 | 171.7 | 0 | 0 | 0 | 110.3 | L165 V168 I169 I172 F205 L212 L237 T238 H243 V244 T245 I292 | L165-I241 HydrophobicContact CD1-CD1 4.02Å; V168-I241 HydrophobicContact CG1-CD1 4.39Å; I169-I241 HydrophobicContact CG1-CG2 4.3Å; I172-I241 HydrophobicContact CD1-CG2 3.43Å; I172-I241 VanDerWaalsContact CD1-CG2 3.43Å; F205-I241 HydrophobicContact CE1-CD1 3.67Å; F205-I241 HydrophobicContact CE2-CD1 4.3Å; F205-I241 HydrophobicContact CZ-CD1 3.52Å; L212-I241 HydrophobicContact CD2-CB 3.73Å; L212-I241 HydrophobicContact CD2-CG2 3.48Å; L212-I241 VanDerWaalsContact CD2-CG2 3.48Å; L237-I241 HydrophobicContact CD1-CD1 3.76Å; L237-I241 HydrophobicContact CD1-CG1 4.14Å; L237-I241 HydrophobicContact CG-CD1 3.85Å; L237-I241 WeakPolarHBondContact O-CG1 3.22Å; L237-I241 PolarHBondContact O-N 3.12Å; T238-I241 PolarHBondContact O-N 3.3Å; I241-H243 VanDerWaalsContact C-N 3.29Å; I241-H243 PolarHBondContact O-N 3.03Å; I241-V244 WeakPolarHBondContact O-CG2 3.5Å; I241-V244 PolarHBondContact O-N 3.38Å; I241-T245 HydrophobicContact CG2-CG2 4.29Å; I241-T245 WeakPolarHBondContact O-CB 3.36Å; I241-T245 WeakPolarHBondContact O-CG2 3.26Å; I241-T245 PolarHBondContact O-N 2.98Å; I241-T245 PolarHBondContact O-OG1 3.3Å; I241-I292 HydrophobicContact CG1-CD1 4.21Å |
| 242 | A | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -56.7 | -46.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L212 T238 C239 T245 G246 L247 P249 | L212-A242 HydrophobicContact CB-CB 3.99Å; L212-A242 HydrophobicContact CD2-CB 4.04Å; T238-A242 VanDerWaalsContact O-CB 3.24Å; T238-A242 WeakPolarHBondContact O-CB 3.41Å; T238-A242 PolarHBondContact O-N 2.91Å; C239-A242 PolarHBondContact O-N 3Å; A242-T245 CarbonylContact O-C 3.45Å; A242-T245 PolarHBondContact O-N 3.39Å; A242-T245 PolarHBondContact O-OG1 3.43Å; A242-G246 PolarHBondContact O-N 2.99Å; A242-L247 CarbonylContact C-O 3.47Å; A242-L247 HydrophobicContact CB-CB 4.27Å; A242-L247 PolarHBondContact O-N 3.36Å; A242-P249 HydrophobicContact CB-CG 4.19Å |
| 243 | H | 98.6 | Very high | 98.7 | Very high | 60 Ų | 60 | 20.4 Ų | 20.4 | 28% | 0.278 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -56.2 | -53.3 | 177.5 | 179.9 | 96.1 | 0 | 0 | 0 | 112.5 | C239 M240 I241 T245 G246 I285 V289 F295 | C239-H243 VanDerWaalsContact O-CB 3.28Å; C239-H243 WeakPolarHBondContact O-CB 3.27Å; C239-H243 PolarHBondContact O-N 2.97Å; M240-H243 WeakPolarHBondContact O-CB 3.29Å; M240-H243 PolarHBondContact O-N 3.15Å; I241-H243 VanDerWaalsContact C-N 3.29Å; I241-H243 PolarHBondContact O-N 3.03Å; H243-T245 PolarHBondContact O-N 2.93Å; H243-G246 PolarHBondContact O-N 2.94Å; H243-I285 HydrophobicContact CB-CD1 3.69Å; H243-V289 PolarHBondContact CD2-O 3.28Å; H243-V289 PolarHBondContact NE2-N 3.16Å; H243-V289 PolarHBondContact NE2-O 3.27Å; H243-V289 VanDerWaalsContact NE2-O 3.07Å; H243-F295 HydrophobicContact CB-CZ 4.42Å; H243-F295 AromaticContact CD2-CZ 3.8Å |
| 244 | V | 98.7 | Very high | 98.7 | Very high | 11 Ų | 11 | 20.3 Ų | 20.3 | 7% | 0.067 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -73.6 | -13.1 | -177.6 | -58.3 | 0 | 0 | 0 | 0 | 113.3 | R173 M240 I241 I292 F295 | R173-V244 PolarHBondContact NH2-O 3.4Å; M240-V244 PolarHBondContact O-N 3.48Å; M240-V244 VanDerWaalsContact O-N 3.09Å; I241-V244 WeakPolarHBondContact O-CG2 3.5Å; I241-V244 PolarHBondContact O-N 3.38Å; V244-I292 HydrophobicContact CG2-CD1 4.49Å; V244-F295 HydrophobicContact CG1-CE2 3.55Å; V244-F295 HydrophobicContact CG1-CZ 4.03Å |
| 245 | T | 98.6 | Very high | 98.7 | Very high | 24 Ų | 24 | 21.4 Ų | 21.4 | 15% | 0.147 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -103.2 | 0.5 | 177.3 | 58.1 | 0 | 0 | 0 | 0 | 113.4 | I169 I172 R173 I241 A242 H243 L247 | I169-T245 HydrophobicContact CG2-CG2 4.08Å; I172-T245 HydrophobicContact CB-CG2 4.15Å; I172-T245 HydrophobicContact CG2-CG2 3.69Å; R173-T245 HydrophobicContact CG-CG2 4Å; I241-T245 HydrophobicContact CG2-CG2 4.29Å; I241-T245 WeakPolarHBondContact O-CB 3.36Å; I241-T245 WeakPolarHBondContact O-CG2 3.26Å; I241-T245 PolarHBondContact O-N 2.98Å; I241-T245 PolarHBondContact O-OG1 3.3Å; A242-T245 CarbonylContact O-C 3.45Å; A242-T245 PolarHBondContact O-N 3.39Å; A242-T245 PolarHBondContact O-OG1 3.43Å; H243-T245 PolarHBondContact O-N 2.93Å; T245-L247 VanDerWaalsContact C-N 3.33Å |
| 246 | G | 98 | Very high | 98.6 | Very high | 72 Ų | 72 | 21.4 Ų | 21.4 | 74% | 0.742 | 13% | 0.127 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74 | 22 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | A242 H243 | A242-G246 PolarHBondContact O-N 2.99Å; H243-G246 PolarHBondContact O-N 2.94Å |
| 247 | L | 98.6 | Very high | 98.6 | Very high | 33 Ų | 33 | 21.4 Ų | 21.4 | 17% | 0.173 | 13% | 0.127 | C | C | . | . | P | Polyproline II helix | trans | -103.7 | 165.3 | 178.4 | -64.4 | 174.4 | 0 | 0 | 0 | 111.4 | I172 V207 L212 A242 T245 | I172-L247 HydrophobicContact CG2-CD1 3.55Å; V207-L247 HydrophobicContact CG1-CD1 3.82Å; V207-L247 HydrophobicContact CG1-CD2 4.24Å; V207-L247 HydrophobicContact CG2-CD1 3.95Å; L212-L247 HydrophobicContact CB-CB 4.32Å; L212-L247 HydrophobicContact CB-CD1 4.02Å; L212-L247 HydrophobicContact CD1-CD1 4.47Å; A242-L247 CarbonylContact C-O 3.47Å; A242-L247 HydrophobicContact CB-CB 4.27Å; A242-L247 PolarHBondContact O-N 3.36Å; T245-L247 VanDerWaalsContact C-N 3.33Å |
| 248 | K | 98.6 | Very high | 98.4 | Very high | 139 Ų | 139 | 23 Ų | 23 | 60% | 0.604 | 14% | 0.135 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -90 | 146.2 | 169.5 | -66.1 | 171.9 | -174.2 | 168.3 | 0 | 110.5 | D210 E211 L212 G250 | D210-K248 PolarHBondContact O-N 3.35Å; E211-K248 CarbonylContact C-O 2.93Å; E211-K248 WeakPolarHBondContact CA-O 3.46Å; E211-K248 HydrophobicContact CG-CB 4.14Å; L212-K248 PolarHBondContact N-O 2.97Å; K248-G250 PolarHBondContact O-N 3.41Å |
| 249 | P | 98.8 | Very high | 98.4 | Very high | 31 Ų | 31 | 23 Ų | 23 | 20% | 0.201 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 129.7 | 169 | -19.4 | 32.8 | 0 | 0 | 0 | 111 | L70 C239 A242 | L70-P249 HydrophobicContact CB-CB 3.56Å; L70-P249 HydrophobicContact CD1-CB 4.29Å; C239-P249 HydrophobicContact CB-CG 4.23Å; A242-P249 HydrophobicContact CB-CG 4.19Å |
| 250 | G | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | -96.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L70 R71 L212 K248 | L70-G250 WeakPolarHBondContact CA-O 2.97Å; L70-G250 WeakPolarHBondContact CB-O 3.42Å; L70-G250 PolarHBondContact N-O 3.22Å; R71-G250 PolarHBondContact N-O 3.32Å; L212-G250 PolarHBondContact O-N 3.19Å; K248-G250 PolarHBondContact O-N 3.41Å |
| 251 | E | 98.3 | Very high | 98.2 | Very high | 32 Ų | 32 | 22.9 Ų | 22.9 | 15% | 0.15 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 149 | -178.5 | -69.7 | -179.2 | -161.8 | 0 | 0 | 113 | R67 F68 R71 S213 C214 | R67-E251 IonicContact CZ-OE2 2.75Å; R67-E251 IonicContact NE-OE2 3.66Å; R67-E251 IonicContact NH2-OE2 3.36Å; R67-E251 PolarHBondContact NH2-OE2 3.08Å; F68-E251 WeakPolarHBondContact O-CA 3.44Å; R71-E251 IonicContact CZ-OE1 3.53Å; R71-E251 IonicContact NH1-OE1 2.68Å; R71-E251 PolarHBondContact NH1-OE1 3.25Å; R71-E251 IonicContact NH2-OE1 3.54Å; S213-E251 CarbonylContact C-O 3.56Å; S213-E251 WeakPolarHBondContact CA-O 3.33Å; S213-E251 VanDerWaalsContact CB-O 3.29Å; S213-E251 WeakPolarHBondContact CB-O 3.47Å; S213-E251 PolarHBondContact OG-N 2.87Å; C214-E251 PolarHBondContact N-O 3.27Å |
| 252 | F | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 125.3 | 163.3 | 172.8 | -113.8 | 0 | 0 | 0 | 110.1 | F68 L70 C214 L216 I231 Y234 H254 | F68-F252 HydrophobicContact CB-CB 4.43Å; F68-F252 HydrophobicContact CB-CD1 4.48Å; F68-F252 AromaticContact CD2-CD1 3.67Å; F68-F252 HydrophobicContact CD2-CD1 3.67Å; F68-F252 HydrophobicContact CD2-CE1 4.17Å; F68-F252 HydrophobicContact CE2-CD1 4.37Å; F68-F252 HydrophobicContact CE2-CE1 4.44Å; F68-F252 HydrophobicContact CG-CD1 4.4Å; F68-F252 PolarHBondContact N-O 2.91Å; F68-F252 PolarHBondContact O-N 2.59Å; L70-F252 HydrophobicContact CD1-CB 4.21Å; L70-F252 HydrophobicContact CD2-CB 4.31Å; L70-F252 HydrophobicContact CG-CB 4.38Å; C214-F252 HydrophobicContact CB-CD2 4.4Å; C214-F252 CarbonylContact O-C 3.38Å; C214-F252 WeakPolarHBondContact O-CA 3.45Å; L216-F252 HydrophobicContact CB-CE2 3.69Å; L216-F252 HydrophobicContact CB-CZ 4Å; L216-F252 HydrophobicContact CD2-CE2 4.46Å; L216-F252 HydrophobicContact CD2-CZ 4.12Å; I231-F252 HydrophobicContact CB-CE1 4.17Å; I231-F252 HydrophobicContact CG1-CE1 4.11Å; I231-F252 HydrophobicContact CG2-CD1 4.24Å; I231-F252 HydrophobicContact CG2-CE1 4.2Å; Y234-F252 HydrophobicContact CG-CE2 4.17Å; F252-H254 HydrophobicContact CE1-CB 3.7Å; F252-H254 HydrophobicContact CZ-CB 3.76Å; F252-H254 AromaticContact CZ-CG 3.89Å |
| 253 | V | 98.6 | Very high | 97.8 | Very high | 9 Ų | 9 | 26.2 Ų | 26.2 | 6% | 0.055 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 124.5 | 178.3 | -177.9 | 0 | 0 | 0 | 0 | 109 | Q65 R67 C214 Q215 L216 | Q65-V253 VanDerWaalsContact CD-CG1 3.41Å; Q65-V253 HydrophobicContact CG-CG1 3.7Å; R67-V253 HydrophobicContact CG-CG1 4.39Å; R67-V253 HydrophobicContact CG-CG2 4.46Å; C214-V253 PolarHBondContact O-N 3.28Å; Q215-V253 CarbonylContact C-O 3.57Å; Q215-V253 VanDerWaalsContact CA-O 3.29Å; Q215-V253 WeakPolarHBondContact CA-O 3.24Å; Q215-V253 HydrophobicContact CB-CB 4.14Å; Q215-V253 HydrophobicContact CG-CB 4.08Å; Q215-V253 HydrophobicContact CG-CG1 4.06Å; L216-V253 PolarHBondContact N-O 2.96Å |
| 254 | H | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 104.7 | -177.6 | -161.8 | 172.6 | 0 | 0 | 0 | 110 | Q65 L66 Q218 F252 | Q65-H254 CarbonylContact C-O 3.59Å; Q65-H254 VanDerWaalsContact CA-O 3.29Å; Q65-H254 WeakPolarHBondContact CA-O 3.42Å; L66-H254 HydrophobicContact CB-CB 4.3Å; L66-H254 PolarHBondContact N-O 3.4Å; L66-H254 PolarHBondContact O-N 2.9Å; Q218-H254 PolarHBondContact OE1-CE1 2.69Å; Q218-H254 PolarHBondContact OE1-NE2 3.06Å; F252-H254 HydrophobicContact CE1-CB 3.7Å; F252-H254 HydrophobicContact CZ-CB 3.76Å; F252-H254 AromaticContact CZ-CG 3.89Å |
| 255 | T | 98.3 | Very high | 97.4 | Very high | 25 Ų | 25 | 26.6 Ų | 26.6 | 15% | 0.153 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 125 | 173.1 | -54.5 | 0 | 0 | 0 | 0 | 108.8 | Q65 Q215 L216 Y217 Q218 | Q65-T255 PolarHBondContact NE2-OG1 3.14Å; Q65-T255 VanDerWaalsContact NE2-OG1 3.09Å; Q215-T255 PolarHBondContact NE2-OG1 2.61Å; L216-T255 PolarHBondContact O-N 3.14Å; Y217-T255 CarbonylContact C-O 3.5Å; Y217-T255 WeakPolarHBondContact CA-O 3.25Å; Y217-T255 HydrophobicContact CD2-CG2 4Å; Q218-T255 PolarHBondContact N-O 2.87Å |
| 256 | I | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 129 | -174.9 | -51.5 | 168.8 | 0 | 0 | 0 | 108.2 | G63 P64 Q218 M223 V227 A259 | G63-I256 CarbonylContact C-O 3.5Å; G63-I256 WeakPolarHBondContact CA-O 3.21Å; G63-I256 PolarHBondContact N-O 3.26Å; P64-I256 VanDerWaalsContact CD-O 3.29Å; P64-I256 WeakPolarHBondContact CD-O 3.41Å; P64-I256 HydrophobicContact CG-CB 4.28Å; P64-I256 PolarHBondContact O-N 3.36Å; Q218-I256 CarbonylContact O-C 3.59Å; Q218-I256 WeakPolarHBondContact O-CA 3.31Å; M223-I256 HydrophobicContact SD-CD1 3.96Å; V227-I256 HydrophobicContact CG1-CD1 4.14Å; V227-I256 HydrophobicContact CG2-CD1 3.94Å; I256-A259 HydrophobicContact CB-CB 4.19Å; I256-A259 HydrophobicContact CG2-CB 3.72Å |
| 257 | G | 97.1 | Very high | 97.2 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | -86.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | F62 G63 Q218 A259 | F62-G257 CarbonylContact C-O 3.54Å; F62-G257 VanDerWaalsContact CA-O 3.29Å; F62-G257 WeakPolarHBondContact CA-O 3.5Å; F62-G257 WeakPolarHBondContact CD2-O 3.4Å; G63-G257 PolarHBondContact N-O 3.26Å; Q218-G257 PolarHBondContact O-N 3Å; G257-A259 PolarHBondContact O-N 3.19Å |
| 258 | D | 96.3 | Very high | 97.1 | Very high | 33 Ų | 33 | 33.2 Ų | 33.2 | 18% | 0.176 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 99.7 | 173.3 | -169.3 | -42.9 | 0 | 0 | 0 | 110.1 | R50 R219 S220 G221 H260 | R50-D258 IonicContact CZ-OD2 2.98Å; R50-D258 IonicContact NH1-OD2 3.53Å; R50-D258 PolarHBondContact NH1-OD2 2.94Å; R219-D258 PolarHBondContact O-N 3.28Å; S220-D258 CarbonylContact C-O 3.55Å; G221-D258 PolarHBondContact N-O 3.39Å; D258-H260 PolarHBondContact O-ND1 3.32Å; D258-H260 IonicContact OD1-CG 3.98Å; D258-H260 IonicContact OD1-ND1 3.98Å; D258-H260 PolarHBondContact OD1-ND1 3.32Å |
| 259 | A | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 112.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | I43 G60 V61 P64 M223 I256 G257 | I43-A259 HydrophobicContact CD1-CB 4.22Å; G60-A259 CarbonylContact C-O 3.57Å; G60-A259 WeakPolarHBondContact CA-O 3.46Å; V61-A259 HydrophobicContact CG2-CB 4.24Å; V61-A259 PolarHBondContact N-O 2.94Å; V61-A259 PolarHBondContact O-N 3.07Å; P64-A259 HydrophobicContact CG-CB 3.47Å; P64-A259 VanDerWaalsContact CG-CB 3.47Å; M223-A259 HydrophobicContact CG-CB 4.36Å; M223-A259 HydrophobicContact SD-CB 4.02Å; I256-A259 HydrophobicContact CB-CB 4.19Å; I256-A259 HydrophobicContact CG2-CB 3.72Å; G257-A259 PolarHBondContact O-N 3.19Å |
| 260 | H | 96.9 | Very high | 96.9 | Very high | 9 Ų | 9 | 26.5 Ų | 26.5 | 4% | 0.042 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 158.2 | -171.3 | 55.5 | -90.4 | 0 | 0 | 0 | 113.9 | T58 F59 S220 G221 M223 D258 Y262 | T58-H260 HydrophobicContact CG2-CB 4.23Å; F59-H260 CarbonylContact O-C 3.47Å; F59-H260 VanDerWaalsContact O-CA 3.23Å; F59-H260 WeakPolarHBondContact O-CA 3.31Å; S220-H260 PolarHBondContact OG-CE1 2.78Å; S220-H260 VanDerWaalsContact OG-CE1 3.31Å; G221-H260 PolarHBondContact O-N 2.83Å; M223-H260 WeakPolarHBondContact CB-O 3.4Å; M223-H260 WeakPolarHBondContact CG-O 3.43Å; M223-H260 PolarHBondContact N-O 3.16Å; D258-H260 PolarHBondContact O-ND1 3.32Å; D258-H260 IonicContact OD1-CG 3.98Å; D258-H260 IonicContact OD1-ND1 3.98Å; D258-H260 PolarHBondContact OD1-ND1 3.32Å; H260-Y262 AromaticContact NE2-CE2 3.98Å |
| 261 | I | 96.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 125.1 | 169.8 | -68 | 174.6 | 0 | 0 | 0 | 106.8 | L40 I43 L44 T58 F59 M223 H265 L269 | L40-I261 HydrophobicContact CD2-CD1 3.79Å; L40-I261 HydrophobicContact CD2-CG1 4.15Å; I43-I261 HydrophobicContact CB-CD1 3.97Å; I43-I261 HydrophobicContact CG2-CB 4.28Å; I43-I261 HydrophobicContact CG2-CD1 3.66Å; I43-I261 HydrophobicContact CG2-CG1 3.87Å; L44-I261 HydrophobicContact CD2-CD1 3.8Å; L44-I261 HydrophobicContact CG-CD1 3.71Å; T58-I261 CarbonylContact C-O 3.54Å; T58-I261 VanDerWaalsContact CA-O 3.3Å; T58-I261 WeakPolarHBondContact CA-O 3.47Å; F59-I261 PolarHBondContact N-O 3.07Å; F59-I261 PolarHBondContact O-N 3.36Å; M223-I261 HydrophobicContact CB-CG1 4.04Å; I261-H265 HydrophobicContact CG2-CB 4.32Å; I261-L269 HydrophobicContact CB-CD1 4.18Å; I261-L269 HydrophobicContact CD1-CD1 3.79Å; I261-L269 HydrophobicContact CG1-CD1 3.67Å; I261-L269 HydrophobicContact CG2-CD1 3.59Å |
| 262 | Y | 95.7 | Very high | 96.8 | Very high | 26 Ų | 26 | 29 Ų | 29 | 10% | 0.102 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 141 | 168.5 | -71.7 | -77.9 | 0 | 0 | 0 | 110.3 | T56 T58 D222 H260 N264 H265 A316 | T56-Y262 HydrophobicContact CG2-CD1 4.25Å; T58-Y262 HydrophobicContact CG2-CD1 3.7Å; T58-Y262 HydrophobicContact CG2-CE1 3.89Å; T58-Y262 HydrophobicContact CG2-CG 4.36Å; D222-Y262 HydrophobicContact CB-CD2 4.44Å; D222-Y262 HydrophobicContact CB-CE2 3.96Å; H260-Y262 AromaticContact NE2-CE2 3.98Å; Y262-N264 VanDerWaalsContact CB-OD1 3.23Å; Y262-N264 WeakPolarHBondContact CB-OD1 3.38Å; Y262-N264 PolarHBondContact O-N 2.81Å; Y262-N264 VanDerWaalsContact O-N 3.14Å; Y262-H265 AromaticContact CD2-CE1 3.8Å; Y262-H265 WeakPolarHBondContact O-CB 3.3Å; Y262-H265 PolarHBondContact O-N 3.37Å; Y262-A316 HydrophobicContact CD1-CB 3.39Å; Y262-A316 HydrophobicContact CD2-CB 4Å; Y262-A316 HydrophobicContact CE1-CB 3.44Å; Y262-A316 VanDerWaalsContact CE1-CB 3.44Å; Y262-A316 HydrophobicContact CE2-CB 4.04Å; Y262-A316 HydrophobicContact CG-CB 3.68Å |
| 263 | S | 94 | Very high | 96.7 | Very high | 44 Ų | 44 | 29.5 Ų | 29.5 | 31% | 0.308 | 15% | 0.149 | S | C | . | . | G | 310 helix | trans | -56 | -36.6 | -175.5 | -53.5 | 0 | 0 | 0 | 0 | 113.1 | T56 G57 F59 H265 R266 | T56-S263 WeakPolarHBondContact O-CB 3.47Å; T56-S263 PolarHBondContact O-OG 3.18Å; T56-S263 VanDerWaalsContact O-OG 3.07Å; G57-S263 PolarHBondContact O-N 2.89Å; G57-S263 PolarHBondContact O-OG 3.18Å; F59-S263 WeakPolarHBondContact CE2-OG 3.46Å; S263-H265 PolarHBondContact O-N 3.25Å; S263-R266 VanDerWaalsContact O-CB 3.3Å; S263-R266 WeakPolarHBondContact O-CB 3.32Å; S263-R266 PolarHBondContact O-N 3.47Å |
| 264 | N | 93.8 | Very high | 96.6 | Very high | 79 Ų | 79 | 36 Ų | 36 | 42% | 0.422 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -72 | -7.7 | 177.9 | 68.4 | -16.6 | 0 | 0 | 0 | 114 | T56 Y262 | T56-N264 HydrophobicContact CG2-CB 4.15Å; Y262-N264 VanDerWaalsContact CB-OD1 3.23Å; Y262-N264 WeakPolarHBondContact CB-OD1 3.38Å; Y262-N264 PolarHBondContact O-N 2.81Å; Y262-N264 VanDerWaalsContact O-N 3.14Å |
| 265 | H | 95.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -96.9 | -7.5 | 174.4 | -61.6 | 173.7 | 0 | 0 | 0 | 112.9 | D222 I261 Y262 S263 E267 A268 L269 M313 K314 | D222-H265 IonicContact OD1-ND1 3.79Å; D222-H265 IonicContact OD2-CE1 2.84Å; I261-H265 HydrophobicContact CG2-CB 4.32Å; Y262-H265 AromaticContact CD2-CE1 3.8Å; Y262-H265 WeakPolarHBondContact O-CB 3.3Å; Y262-H265 PolarHBondContact O-N 3.37Å; S263-H265 PolarHBondContact O-N 3.25Å; H265-E267 PolarHBondContact O-N 2.97Å; H265-A268 WeakPolarHBondContact O-CB 3.41Å; H265-A268 PolarHBondContact O-N 3.4Å; H265-L269 HydrophobicContact CB-CD1 4.04Å; H265-L269 HydrophobicContact CB-CG 4.3Å; H265-L269 WeakPolarHBondContact O-CG 3.4Å; H265-L269 PolarHBondContact O-N 2.85Å; H265-M313 HydrophobicContact CB-CG 4.35Å; H265-M313 HydrophobicContact CB-SD 3.85Å; H265-K314 PolarHBondContact NE2-O 3.2Å |
| 266 | R | 94.9 | Very high | 96.5 | Very high | 82 Ų | 82 | 41.7 Ų | 41.7 | 31% | 0.309 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -53.8 | -50.7 | -171 | -173.6 | 174.1 | -175.8 | -118.2 | 4.6 | 113.3 | L14 L44 S263 L269 L270 | L14-R266 VanDerWaalsContact CD1-CZ 3.44Å; L44-R266 HydrophobicContact CD2-CG 4.02Å; S263-R266 VanDerWaalsContact O-CB 3.3Å; S263-R266 WeakPolarHBondContact O-CB 3.32Å; S263-R266 PolarHBondContact O-N 3.47Å; R266-L269 PolarHBondContact O-N 2.89Å; R266-L270 HydrophobicContact CG-CD1 4.08Å; R266-L270 WeakPolarHBondContact O-CB 3.34Å; R266-L270 VanDerWaalsContact O-CG 3.31Å; R266-L270 WeakPolarHBondContact O-CG 3.15Å; R266-L270 PolarHBondContact O-N 3.35Å |
| 267 | E | 95.6 | Very high | 96.5 | Very high | 169 Ų | 169 | 43.1 Ų | 43.1 | 79% | 0.79 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -63.9 | -43.3 | -179.6 | -65.6 | -176.7 | 172.5 | 0 | 0 | 112.5 | H265 L269 L270 E271 | H265-E267 PolarHBondContact O-N 2.97Å; E267-L269 VanDerWaalsContact C-N 3.31Å; E267-L269 PolarHBondContact O-N 3.47Å; E267-L270 PolarHBondContact O-N 3.02Å; E267-E271 PolarHBondContact O-N 2.91Å; E267-E271 VanDerWaalsContact O-N 3.12Å |
| 268 | A | 97.3 | Very high | 96.5 | Very high | 17 Ų | 17 | 47.9 Ų | 47.9 | 14% | 0.14 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.5 | -41.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | H265 E271 Q272 I311 M313 | H265-A268 WeakPolarHBondContact O-CB 3.41Å; H265-A268 PolarHBondContact O-N 3.4Å; A268-E271 PolarHBondContact O-N 3.49Å; A268-Q272 PolarHBondContact O-N 3.46Å; A268-I311 HydrophobicContact CB-CG2 3.5Å; A268-M313 HydrophobicContact CB-CG 3.53Å; A268-M313 HydrophobicContact CB-SD 3.97Å |
| 269 | L | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -77.8 | -31.8 | -179.5 | -62.8 | 177.7 | 0 | 0 | 0 | 112.8 | L40 L44 I261 H265 R266 E267 E271 Q272 V273 M313 | L40-L269 HydrophobicContact CD1-CD2 4.21Å; L40-L269 HydrophobicContact CD2-CD1 4.03Å; L40-L269 HydrophobicContact CD2-CD2 4.47Å; L44-L269 HydrophobicContact CD1-CB 4.37Å; I261-L269 HydrophobicContact CB-CD1 4.18Å; I261-L269 HydrophobicContact CD1-CD1 3.79Å; I261-L269 HydrophobicContact CG1-CD1 3.67Å; I261-L269 HydrophobicContact CG2-CD1 3.59Å; H265-L269 HydrophobicContact CB-CD1 4.04Å; H265-L269 HydrophobicContact CB-CG 4.3Å; H265-L269 WeakPolarHBondContact O-CG 3.4Å; H265-L269 PolarHBondContact O-N 2.85Å; R266-L269 PolarHBondContact O-N 2.89Å; E267-L269 VanDerWaalsContact C-N 3.31Å; E267-L269 PolarHBondContact O-N 3.47Å; L269-E271 PolarHBondContact O-N 2.92Å; L269-Q272 VanDerWaalsContact CD2-OE1 3.25Å; L269-Q272 PolarHBondContact O-N 2.85Å; L269-Q272 VanDerWaalsContact O-N 3.15Å; L269-V273 WeakPolarHBondContact O-CG1 3.4Å; L269-V273 WeakPolarHBondContact O-CG2 3.3Å; L269-V273 PolarHBondContact O-N 3.07Å; L269-M313 HydrophobicContact CD2-CE 4.25Å; L269-M313 HydrophobicContact CD2-SD 3.9Å; L269-M313 HydrophobicContact CG-SD 4.17Å |
| 270 | L | 96.5 | Very high | 96.7 | Very high | 30 Ų | 30 | 53.1 Ų | 53.1 | 16% | 0.157 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.1 | -34.7 | 168.8 | -77.3 | 164.1 | 0 | 0 | 0 | 112.1 | L14 V16 L44 R266 E267 V273 K274 | L14-L270 HydrophobicContact CD1-CD1 3.4Å; V16-L270 HydrophobicContact CG2-CD2 4.26Å; L44-L270 HydrophobicContact CD1-CD2 4.07Å; L44-L270 HydrophobicContact CD1-CG 4.26Å; L44-L270 HydrophobicContact CD2-CG 4.32Å; R266-L270 HydrophobicContact CG-CD1 4.08Å; R266-L270 WeakPolarHBondContact O-CB 3.34Å; R266-L270 VanDerWaalsContact O-CG 3.31Å; R266-L270 WeakPolarHBondContact O-CG 3.15Å; R266-L270 PolarHBondContact O-N 3.35Å; E267-L270 PolarHBondContact O-N 3.02Å; L270-V273 WeakPolarHBondContact O-CG2 3.23Å; L270-K274 WeakPolarHBondContact O-CE 3.18Å; L270-K274 WeakPolarHBondContact O-CG 3.47Å |
| 271 | E | 97 | Very high | 96.7 | Very high | 84 Ų | 84 | 52.7 Ų | 52.7 | 39% | 0.393 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -73.2 | -39.5 | 172.3 | -177.2 | 54.5 | -155.5 | 0 | 0 | 112.1 | E267 A268 L269 V273 K274 | E267-E271 PolarHBondContact O-N 2.91Å; E267-E271 VanDerWaalsContact O-N 3.12Å; A268-E271 PolarHBondContact O-N 3.49Å; L269-E271 PolarHBondContact O-N 2.92Å; E271-V273 PolarHBondContact O-N 2.73Å; E271-K274 PolarHBondContact O-N 3.44Å; E271-K274 IonicContact OE2-NZ 2.99Å; E271-K274 PolarHBondContact OE2-NZ 2.9Å |
| 272 | Q | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 178.3 | -167.4 | 177.8 | -13.5 | 0 | 0 | 112.3 | L37 T80 A268 L269 K274 R275 I311 | L37-Q272 HydrophobicContact CD2-CG 4.29Å; T80-Q272 PolarHBondContact OG1-NE2 2.8Å; A268-Q272 PolarHBondContact O-N 3.46Å; L269-Q272 VanDerWaalsContact CD2-OE1 3.25Å; L269-Q272 PolarHBondContact O-N 2.85Å; L269-Q272 VanDerWaalsContact O-N 3.15Å; Q272-K274 PolarHBondContact O-N 3.15Å; Q272-R275 WeakPolarHBondContact O-CB 3.32Å; Q272-R275 PolarHBondContact O-N 3.24Å; Q272-I311 HydrophobicContact CB-CD1 3.57Å; Q272-I311 HydrophobicContact CG-CD1 3.94Å |
| 273 | V | 96.6 | Very high | 97 | Very high | 10 Ų | 10 | 56.9 Ų | 56.9 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -10.7 | -176.8 | -62.4 | 0 | 0 | 0 | 0 | 114.1 | L37 L40 R41 L44 L269 L270 E271 | L37-V273 HydrophobicContact CD2-CG1 4.45Å; L40-V273 HydrophobicContact CB-CG1 3.64Å; L40-V273 HydrophobicContact CD1-CG1 4.01Å; R41-V273 HydrophobicContact CG-CB 3.86Å; R41-V273 HydrophobicContact CG-CG1 3.93Å; R41-V273 HydrophobicContact CG-CG2 4.3Å; R41-V273 PolarHBondContact NH2-O 3.1Å; L44-V273 HydrophobicContact CD1-CG1 4.19Å; L44-V273 HydrophobicContact CD1-CG2 4.33Å; L269-V273 WeakPolarHBondContact O-CG1 3.4Å; L269-V273 WeakPolarHBondContact O-CG2 3.3Å; L269-V273 PolarHBondContact O-N 3.07Å; L270-V273 WeakPolarHBondContact O-CG2 3.23Å; E271-V273 PolarHBondContact O-N 2.73Å |
| 274 | K | 96.6 | Very high | 97.2 | Very high | 147 Ų | 147 | 58.4 Ų | 58.4 | 64% | 0.639 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -18.6 | 171.6 | -62.8 | 171.4 | -164.4 | 164.1 | 0 | 112.9 | L270 E271 Q272 | L270-K274 WeakPolarHBondContact O-CE 3.18Å; L270-K274 WeakPolarHBondContact O-CG 3.47Å; E271-K274 PolarHBondContact O-N 3.44Å; E271-K274 IonicContact OE2-NZ 2.99Å; E271-K274 PolarHBondContact OE2-NZ 2.9Å; Q272-K274 PolarHBondContact O-N 3.15Å |
| 275 | R | 97.2 | Very high | 97.4 | Very high | 39 Ų | 39 | 56.5 Ų | 56.5 | 15% | 0.147 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -78.3 | 140.6 | -177.9 | -63.3 | 174.1 | 179.2 | -172 | -1.6 | 110.2 | T80 Q272 Y308 P309 | T80-R275 HydrophobicContact CG2-CB 3.84Å; T80-R275 WeakPolarHBondContact O-CD 3.37Å; T80-R275 PolarHBondContact O-NH1 3.46Å; Q272-R275 WeakPolarHBondContact O-CB 3.32Å; Q272-R275 PolarHBondContact O-N 3.24Å; R275-Y308 HydrophobicContact CB-CE1 4.43Å; R275-Y308 HydrophobicContact CB-CE2 4.36Å; R275-Y308 HydrophobicContact CG-CD1 4.24Å; R275-Y308 HydrophobicContact CG-CE1 4.36Å; R275-Y308 HydrophobicContact CG-CG 4.5Å; R275-Y308 VanDerWaalsContact NH1-CB 3.31Å; R275-P309 PolarHBondContact NH1-O 2.98Å |
| 276 | V | 97 | Very high | 97.5 | Very high | 105 Ų | 105 | 61.5 Ų | 61.5 | 64% | 0.636 | 30% | 0.301 | S | S | * | . | P | Polyproline II helix | trans | -86.5 | 123.5 | 172.3 | -178.6 | 0 | 0 | 0 | 0 | 108.6 | R278 Y308 | V276-R278 PolarHBondContact O-N 2.8Å; V276-Y308 WeakPolarHBondContact O-CE2 3.29Å; V276-Y308 PolarHBondContact O-OH 2.89Å |
| 277 | P | 97.8 | Very high | 97.6 | Very high | 30 Ų | 30 | 62.1 Ų | 62.1 | 20% | 0.195 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -52.8 | 138.9 | 175.4 | -28.7 | 37.3 | 0 | 0 | 0 | 112.4 | E33 N34 L37 T80 | E33-P277 HydrophobicContact CB-CB 4.02Å; E33-P277 HydrophobicContact CB-CG 4.11Å; E33-P277 HydrophobicContact CG-CB 3.98Å; E33-P277 HydrophobicContact CG-CG 3.82Å; N34-P277 WeakPolarHBondContact OD1-CG 3.25Å; L37-P277 HydrophobicContact CD1-CG 3.55Å; T80-P277 HydrophobicContact CG2-CB 4.5Å; T80-P277 HydrophobicContact CG2-CG 4.06Å |
| 278 | R | 98.1 | Very high | 97.6 | Very high | 100 Ų | 100 | 61.3 Ų | 61.3 | 38% | 0.377 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -90.9 | 164.9 | 167.2 | -68.1 | 168.2 | -177.1 | 177.2 | 3.8 | 108.6 | T79 V276 F280 K306 P307 Y308 | T79-R278 HydrophobicContact CG2-CB 4.28Å; T79-R278 PolarHBondContact OG1-N 3.17Å; T79-R278 PolarHBondContact OG1-O 3.25Å; V276-R278 PolarHBondContact O-N 2.8Å; R278-F280 PolarHBondContact O-N 3.27Å; R278-K306 WeakPolarHBondContact CD-O 3.48Å; R278-K306 PolarHBondContact NH1-O 2.74Å; R278-P307 PolarHBondContact NH1-O 3.17Å; R278-Y308 HydrophobicContact CG-CE2 3.93Å |
| 279 | P | 98 | Very high | 97.7 | Very high | 114 Ų | 114 | 60.7 Ų | 60.7 | 74% | 0.74 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -53 | 137.6 | 172.7 | -26.1 | 35.4 | 0 | 0 | 0 | 111 | ||
| 280 | F | 98.6 | Very high | 97.7 | Very high | 29 Ų | 29 | 67.4 Ų | 67.4 | 13% | 0.127 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 148.9 | 172 | -77.7 | -44.2 | 0 | 0 | 0 | 110.7 | E33 F68 E74 P76 L77 L78 T79 R278 | E33-F280 HydrophobicContact CB-CE1 3.84Å; E33-F280 HydrophobicContact CB-CE2 4.5Å; E33-F280 HydrophobicContact CB-CZ 3.59Å; F68-F280 HydrophobicContact CD1-CE2 4.29Å; F68-F280 HydrophobicContact CD1-CZ 4.24Å; F68-F280 HydrophobicContact CE1-CZ 4.36Å; E74-F280 HydrophobicContact CG-CB 3.79Å; E74-F280 HydrophobicContact CG-CD2 4.02Å; E74-F280 HydrophobicContact CG-CG 4.38Å; P76-F280 HydrophobicContact CB-CE1 4.47Å; P76-F280 HydrophobicContact CB-CE2 4.13Å; P76-F280 HydrophobicContact CB-CZ 4.07Å; L77-F280 WeakPolarHBondContact O-CD1 3.33Å; L78-F280 HydrophobicContact CD2-CE1 4.36Å; T79-F280 HydrophobicContact CG2-CD1 4.22Å; R278-F280 PolarHBondContact O-N 3.27Å |
| 281 | P | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 166.2 | 172.2 | 30.6 | -35.3 | 0 | 0 | 0 | 111.3 | Y75 L77 L302 I303 Y305 | Y75-P281 HydrophobicContact CD1-CG 4.38Å; Y75-P281 PolarHBondContact N-O 3.37Å; Y75-P281 WeakPolarHBondContact O-CD 3.36Å; L77-P281 HydrophobicContact CB-CG 3.92Å; P281-L302 HydrophobicContact CB-CD1 3.71Å; P281-L302 HydrophobicContact CB-CG 3.95Å; P281-L302 HydrophobicContact CG-CD1 3.68Å; P281-L302 HydrophobicContact CG-CG 4.26Å; P281-I303 CarbonylContact C-O 3.51Å; P281-I303 VanDerWaalsContact CA-O 3.27Å; P281-I303 WeakPolarHBondContact CA-O 3.11Å; P281-I303 VanDerWaalsContact CB-O 3.22Å; P281-I303 WeakPolarHBondContact CB-O 3.44Å; P281-Y305 HydrophobicContact CB-CD2 4.08Å; P281-Y305 HydrophobicContact CB-CG 4.31Å; P281-Y305 HydrophobicContact CG-CD2 3.68Å; P281-Y305 HydrophobicContact CG-CE2 4.45Å; P281-Y305 HydrophobicContact CG-CG 4.24Å |
| 282 | K | 98.7 | Very high | 97.9 | Very high | 106 Ų | 106 | 66.2 Ų | 66.2 | 46% | 0.461 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 146.2 | 165.2 | -63.1 | -178.4 | 177.7 | -178 | 0 | 111 | H73 I303 | H73-K282 HydrophobicContact CB-CB 4.25Å; H73-K282 HydrophobicContact CB-CG 4.49Å; H73-K282 CarbonylContact O-C 3.48Å; H73-K282 WeakPolarHBondContact O-CA 2.9Å; K282-I303 HydrophobicContact CB-CB 4.2Å; K282-I303 PolarHBondContact N-O 3.21Å; K282-I303 PolarHBondContact O-N 3.15Å |
| 283 | L | 98.7 | Very high | 97.9 | Very high | 9 Ų | 9 | 70.1 Ų | 70.1 | 5% | 0.047 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 121.3 | 171.4 | -179.5 | 76.6 | 0 | 0 | 0 | 109.9 | H73 Y75 F85 L236 C239 F300 | H73-L283 PolarHBondContact O-N 3.37Å; Y75-L283 HydrophobicContact CD1-CB 4.41Å; Y75-L283 HydrophobicContact CD2-CB 4.15Å; Y75-L283 HydrophobicContact CD2-CD2 3.83Å; Y75-L283 HydrophobicContact CE2-CD2 4.08Å; Y75-L283 HydrophobicContact CG-CB 3.81Å; Y75-L283 HydrophobicContact CG-CD2 4.29Å; F85-L283 HydrophobicContact CE2-CD1 4.36Å; F85-L283 HydrophobicContact CZ-CD1 3.94Å; L236-L283 HydrophobicContact CD1-CD2 3.51Å; C239-L283 HydrophobicContact CB-CD2 4.3Å; L283-F300 HydrophobicContact CD1-CB 4.15Å; L283-F300 HydrophobicContact CD1-CD1 4.49Å |
| 284 | E | 98.1 | Very high | 98 | Very high | 77 Ų | 77 | 73.2 Ų | 73.2 | 36% | 0.36 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 131.3 | 170.9 | -73 | 180 | -176.6 | 0 | 0 | 110.1 | K301 I303 | E284-K301 HydrophobicContact CB-CB 4.38Å; E284-K301 PolarHBondContact N-O 3.42Å; E284-K301 PolarHBondContact O-N 2.89Å; E284-I303 HydrophobicContact CB-CD1 4.38Å; E284-I303 HydrophobicContact CG-CD1 3.72Å; E284-I303 WeakPolarHBondContact OE1-CD1 3.34Å; E284-I303 WeakPolarHBondContact OE2-CD1 3.47Å |
| 285 | I | 98.4 | Very high | 98.1 | Very high | 38 Ų | 38 | 66.8 Ų | 66.8 | 20% | 0.195 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 107.2 | 164.6 | -65.5 | 171.8 | 0 | 0 | 0 | 106.6 | H243 R287 F295 D299 F300 | H243-I285 HydrophobicContact CB-CD1 3.69Å; I285-R287 WeakPolarHBondContact CG2-O 3.49Å; I285-F295 HydrophobicContact CD1-CE1 4.18Å; I285-F295 HydrophobicContact CD1-CZ 4.28Å; I285-F295 HydrophobicContact CG2-CE1 3.76Å; I285-F295 HydrophobicContact CG2-CZ 4.5Å; I285-D299 CarbonylContact C-O 3.28Å; I285-D299 VanDerWaalsContact CA-O 3.28Å; I285-D299 WeakPolarHBondContact CA-O 3.25Å; I285-F300 HydrophobicContact CD1-CE1 4.39Å; I285-F300 HydrophobicContact CG1-CD1 4.08Å; I285-F300 HydrophobicContact CG1-CE1 4.06Å |
| 286 | I | 97.4 | Very high | 98.1 | Very high | 106 Ų | 106 | 71 Ų | 71 | 54% | 0.544 | 35% | 0.348 | S | S | . | . | trans | -80.1 | -26.6 | -167.8 | 63.1 | 169.7 | 0 | 0 | 0 | 113.5 | E298 D299 K301 | I286-E298 WeakPolarHBondContact CD1-O 3.39Å; I286-D299 PolarHBondContact N-O 2.89Å; I286-K301 HydrophobicContact CG2-CB 3.59Å; I286-K301 HydrophobicContact CG2-CD 4.07Å | ||
| 287 | R | 97.8 | Very high | 98.2 | Very high | 95 Ų | 95 | 68.4 Ų | 68.4 | 36% | 0.358 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -105.8 | 139.6 | -178.8 | -175.2 | 171.8 | 59.3 | 93.7 | -2.6 | 110 | I285 V289 D294 D299 | I285-R287 WeakPolarHBondContact CG2-O 3.49Å; R287-V289 HydrophobicContact CB-CG2 4.32Å; R287-V289 HydrophobicContact CG-CG2 4.41Å; R287-V289 WeakPolarHBondContact O-CG2 3.44Å; R287-V289 PolarHBondContact O-N 3.41Å; R287-D294 PolarHBondContact NH2-O 2.9Å; R287-D299 VanDerWaalsContact CB-OD1 3.3Å; R287-D299 WeakPolarHBondContact CB-OD1 3.29Å; R287-D299 IonicContact CZ-OD1 2.77Å; R287-D299 IonicContact CZ-OD2 2.7Å; R287-D299 IonicContact NE-OD1 3.97Å; R287-D299 PolarHBondContact NE-OD1 3.38Å; R287-D299 IonicContact NE-OD2 3.77Å; R287-D299 IonicContact NH2-OD1 3.64Å; R287-D299 PolarHBondContact NH2-OD1 2.76Å; R287-D299 IonicContact NH2-OD2 3.64Å; R287-D299 PolarHBondContact NH2-OD2 2.9Å |
| 288 | E | 96.6 | Very high | 98.2 | Very high | 151 Ų | 151 | 72.7 Ų | 72.7 | 71% | 0.706 | 35% | 0.346 | S | S | * | . | trans | -71 | 97.2 | 169 | -166.9 | -174.7 | 157.7 | 0 | 0 | 110 | ||||
| 289 | V | 98.2 | Very high | 98.2 | Very high | 4 Ų | 4 | 68.3 Ų | 68.3 | 2% | 0.024 | 33% | 0.33 | C | S | . | . | trans | -96.6 | 133.5 | 174.5 | -166.9 | 0 | 0 | 0 | 0 | 110.4 | H243 R287 N291 D294 F295 | H243-V289 PolarHBondContact CD2-O 3.28Å; H243-V289 PolarHBondContact NE2-N 3.16Å; H243-V289 PolarHBondContact NE2-O 3.27Å; H243-V289 VanDerWaalsContact NE2-O 3.07Å; R287-V289 HydrophobicContact CB-CG2 4.32Å; R287-V289 HydrophobicContact CG-CG2 4.41Å; R287-V289 WeakPolarHBondContact O-CG2 3.44Å; R287-V289 PolarHBondContact O-N 3.41Å; V289-N291 WeakPolarHBondContact CG1-O 3.41Å; V289-D294 HydrophobicContact CG1-CB 3.66Å; V289-F295 HydrophobicContact CB-CD1 4.08Å; V289-F295 HydrophobicContact CB-CD2 4.47Å; V289-F295 HydrophobicContact CB-CE1 3.74Å; V289-F295 HydrophobicContact CB-CE2 4.18Å; V289-F295 HydrophobicContact CB-CG 4.43Å; V289-F295 HydrophobicContact CB-CZ 3.8Å; V289-F295 HydrophobicContact CG1-CD1 4.19Å; V289-F295 HydrophobicContact CG1-CD2 3.98Å; V289-F295 HydrophobicContact CG1-CE1 4.24Å; V289-F295 HydrophobicContact CG1-CE2 4.05Å; V289-F295 HydrophobicContact CG1-CG 4.06Å; V289-F295 HydrophobicContact CG1-CZ 4.18Å; V289-F295 HydrophobicContact CG2-CD1 3.65Å; V289-F295 HydrophobicContact CG2-CE1 3.54Å; V289-F295 HydrophobicContact CG2-CG 4.32Å; V289-F295 HydrophobicContact CG2-CZ 4.14Å | ||
| 290 | K | 97.9 | Very high | 98.2 | Very high | 142 Ų | 142 | 63.5 Ų | 63.5 | 62% | 0.617 | 30% | 0.297 | S | S | * | . | trans | -103 | -26.6 | -177.2 | -65.2 | -175.3 | 178.7 | -179.4 | 0 | 114.2 | R173 | R173-K290 PolarHBondContact NH2-O 2.86Š| ||
| 291 | N | 98.3 | Very high | 98.2 | Very high | 82 Ų | 82 | 67.3 Ų | 67.3 | 44% | 0.439 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -119.8 | 143.1 | 177.5 | -50.6 | -67.6 | 0 | 0 | 0 | 110.1 | V289 D293 D294 | V289-N291 WeakPolarHBondContact CG1-O 3.41Å; N291-D293 PolarHBondContact O-N 3.03Å; N291-D294 WeakPolarHBondContact CB-OD2 3.35Å; N291-D294 PolarHBondContact ND2-OD2 2.83Å; N291-D294 PolarHBondContact O-N 3.39Å; N291-D294 VanDerWaalsContact O-N 3.14Å |
| 292 | I | 98.6 | Very high | 98.2 | Very high | 7 Ų | 7 | 69.4 Ų | 69.4 | 4% | 0.036 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -61.9 | -27.1 | -178.6 | -164.1 | 65.7 | 0 | 0 | 0 | 112.4 | I96 L165 I169 M240 I241 V244 D294 F295 | I96-I292 HydrophobicContact CD1-CD1 4.37Å; I96-I292 HydrophobicContact CD1-CG1 4.18Å; I96-I292 HydrophobicContact CG2-CG1 4.08Å; I96-I292 HydrophobicContact CG2-CG2 4.38Å; L165-I292 HydrophobicContact CD2-CG1 4.26Å; L165-I292 HydrophobicContact CD2-CG2 4.18Å; I169-I292 HydrophobicContact CD1-CB 3.61Å; I169-I292 HydrophobicContact CD1-CG1 4.08Å; I169-I292 HydrophobicContact CD1-CG2 3.49Å; I169-I292 VanDerWaalsContact CD1-CG2 3.49Å; M240-I292 HydrophobicContact CB-CD1 3.7Å; M240-I292 HydrophobicContact CE-CD1 4Å; I241-I292 HydrophobicContact CG1-CD1 4.21Å; V244-I292 HydrophobicContact CG2-CD1 4.49Å; I292-D294 VanDerWaalsContact C-N 3.31Å; I292-D294 PolarHBondContact O-N 3.32Å; I292-F295 HydrophobicContact CD1-CD2 4.08Å; I292-F295 HydrophobicContact CD1-CE2 3.96Å; I292-F295 WeakPolarHBondContact O-CD2 3.33Å |
| 293 | D | 98.1 | Very high | 98.2 | Very high | 82 Ų | 82 | 66 Ų | 66 | 44% | 0.439 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -75.6 | -19.1 | -179 | -54.2 | -61.2 | 0 | 0 | 0 | 113.4 | R144 N291 F295 | R144-D293 IonicContact CZ-OD1 3.59Å; R144-D293 IonicContact NH1-OD1 2.7Å; R144-D293 PolarHBondContact NH1-OD1 3.29Å; R144-D293 IonicContact NH2-OD1 3.62Å; N291-D293 PolarHBondContact O-N 3.03Å; D293-F295 VanDerWaalsContact C-N 3.34Å |
| 294 | D | 98.4 | Very high | 98.1 | Very high | 75 Ų | 75 | 70.5 Ų | 70.5 | 40% | 0.401 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -86.4 | -5.9 | -173.6 | -69.2 | -35.3 | 0 | 0 | 0 | 112.8 | R287 V289 N291 I292 | R287-D294 PolarHBondContact NH2-O 2.9Å; V289-D294 HydrophobicContact CG1-CB 3.66Å; N291-D294 WeakPolarHBondContact CB-OD2 3.35Å; N291-D294 PolarHBondContact ND2-OD2 2.83Å; N291-D294 PolarHBondContact O-N 3.39Å; N291-D294 VanDerWaalsContact O-N 3.14Å; I292-D294 VanDerWaalsContact C-N 3.31Å; I292-D294 PolarHBondContact O-N 3.32Å |
| 295 | F | 98.7 | Very high | 98.1 | Very high | 11 Ų | 11 | 69.1 Ų | 69.1 | 5% | 0.048 | 33% | 0.327 | C | S | . | . | trans | -68 | 145.1 | -179.3 | -81.3 | -75.7 | 0 | 0 | 0 | 112.7 | L93 M240 H243 V244 I285 V289 I292 D293 D299 F300 | L93-F295 HydrophobicContact CD2-CB 3.66Å; M240-F295 HydrophobicContact CB-CD2 4.44Å; M240-F295 HydrophobicContact CB-CE2 3.9Å; M240-F295 HydrophobicContact CB-CZ 4.17Å; M240-F295 HydrophobicContact CE-CB 3.78Å; M240-F295 HydrophobicContact CE-CD1 4.42Å; M240-F295 HydrophobicContact CE-CD2 3.46Å; M240-F295 VanDerWaalsContact CE-CD2 3.46Å; M240-F295 HydrophobicContact CE-CE2 4.08Å; M240-F295 HydrophobicContact CE-CG 3.66Å; M240-F295 HydrophobicContact CG-CD2 4.46Å; M240-F295 HydrophobicContact CG-CE2 4.22Å; M240-F295 HydrophobicContact CG-CZ 4.26Å; H243-F295 HydrophobicContact CB-CZ 4.42Å; H243-F295 AromaticContact CD2-CZ 3.8Å; V244-F295 HydrophobicContact CG1-CE2 3.55Å; V244-F295 HydrophobicContact CG1-CZ 4.03Å; I285-F295 HydrophobicContact CD1-CE1 4.18Å; I285-F295 HydrophobicContact CD1-CZ 4.28Å; I285-F295 HydrophobicContact CG2-CE1 3.76Å; I285-F295 HydrophobicContact CG2-CZ 4.5Å; V289-F295 HydrophobicContact CB-CD1 4.08Å; V289-F295 HydrophobicContact CB-CD2 4.47Å; V289-F295 HydrophobicContact CB-CE1 3.74Å; V289-F295 HydrophobicContact CB-CE2 4.18Å; V289-F295 HydrophobicContact CB-CG 4.43Å; V289-F295 HydrophobicContact CB-CZ 3.8Å; V289-F295 HydrophobicContact CG1-CD1 4.19Å; V289-F295 HydrophobicContact CG1-CD2 3.98Å; V289-F295 HydrophobicContact CG1-CE1 4.24Å; V289-F295 HydrophobicContact CG1-CE2 4.05Å; V289-F295 HydrophobicContact CG1-CG 4.06Å; V289-F295 HydrophobicContact CG1-CZ 4.18Å; V289-F295 HydrophobicContact CG2-CD1 3.65Å; V289-F295 HydrophobicContact CG2-CE1 3.54Å; V289-F295 HydrophobicContact CG2-CG 4.32Å; V289-F295 HydrophobicContact CG2-CZ 4.14Å; I292-F295 HydrophobicContact CD1-CD2 4.08Å; I292-F295 HydrophobicContact CD1-CE2 3.96Å; I292-F295 WeakPolarHBondContact O-CD2 3.33Å; D293-F295 VanDerWaalsContact C-N 3.34Å; F295-D299 WeakPolarHBondContact CA-OD2 3.33Å; F295-D299 HydrophobicContact CD1-CB 4.16Å; F295-F300 HydrophobicContact CB-CZ 4.22Å; F295-F300 HydrophobicContact CD1-CE1 4.07Å; F295-F300 HydrophobicContact CD1-CE2 4.37Å; F295-F300 AromaticContact CD1-CZ 3.6Å; F295-F300 HydrophobicContact CD1-CZ 3.6Å; F295-F300 HydrophobicContact CE1-CE1 4.2Å; F295-F300 HydrophobicContact CE1-CZ 4.18Å; F295-F300 HydrophobicContact CG-CZ 4.07Å | ||
| 296 | K | 98.1 | Very high | 98.1 | Very high | 129 Ų | 129 | 73.5 Ų | 73.5 | 56% | 0.561 | 35% | 0.345 | S | S | * | . | trans | -132.5 | 162.9 | 175.9 | -55.7 | -179.5 | -177.8 | 179 | 0 | 110.1 | E298 D299 F300 | K296-E298 VanDerWaalsContact CB-OE2 3.29Å; K296-E298 WeakPolarHBondContact CB-OE2 3.48Å; K296-E298 PolarHBondContact O-N 3.02Å; K296-D299 PolarHBondContact N-OD2 3.2Å; K296-D299 WeakPolarHBondContact O-CB 3.5Å; K296-D299 PolarHBondContact O-N 3.46Å; K296-D299 VanDerWaalsContact O-N 3.08Å; K296-F300 VanDerWaalsContact O-CD2 3.32Å; K296-F300 WeakPolarHBondContact O-CD2 3.35Å; K296-F300 WeakPolarHBondContact O-CE2 3.33Å | ||
| 297 | F | 98.1 | Very high | 98.2 | Very high | 49 Ų | 49 | 69.9 Ų | 69.9 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -55 | -39.3 | 178.9 | 172.4 | -98.7 | 0 | 0 | 0 | 112.2 | F85 R86 V89 D299 F300 | F85-F297 HydrophobicContact CD1-CE2 4.46Å; F85-F297 HydrophobicContact CE1-CE2 4.41Å; R86-F297 HydrophobicContact CB-CE2 3.79Å; R86-F297 HydrophobicContact CB-CZ 4.15Å; R86-F297 HydrophobicContact CG-CD2 4.11Å; R86-F297 HydrophobicContact CG-CE2 3.8Å; R86-F297 HydrophobicContact CG-CZ 4.17Å; V89-F297 HydrophobicContact CB-CD2 3.83Å; V89-F297 HydrophobicContact CB-CE2 4.3Å; V89-F297 HydrophobicContact CG1-CB 4.33Å; V89-F297 HydrophobicContact CG1-CD2 3.7Å; V89-F297 HydrophobicContact CG1-CG 4.49Å; V89-F297 HydrophobicContact CG2-CD2 4.27Å; V89-F297 HydrophobicContact CG2-CE2 4.34Å; F297-D299 PolarHBondContact O-N 2.82Å; F297-D299 VanDerWaalsContact O-N 3.17Å; F297-F300 PolarHBondContact O-N 3.27Å |
| 298 | E | 98.2 | Very high | 98.2 | Very high | 121 Ų | 121 | 68 Ų | 68 | 57% | 0.565 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -66 | -17.7 | -177.2 | -59.5 | 72.9 | -154.4 | 0 | 0 | 113.3 | I286 K296 F300 | I286-E298 WeakPolarHBondContact CD1-O 3.39Å; K296-E298 VanDerWaalsContact CB-OE2 3.29Å; K296-E298 WeakPolarHBondContact CB-OE2 3.48Å; K296-E298 PolarHBondContact O-N 3.02Å; E298-F300 PolarHBondContact O-N 3.2Å |
| 299 | D | 98.6 | Very high | 98.2 | Very high | 8 Ų | 8 | 65.1 Ų | 65.1 | 4% | 0.043 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -72.8 | -12.7 | 178.6 | -60.8 | -41.5 | 0 | 0 | 0 | 112.6 | I285 I286 R287 F295 K296 F297 | I285-D299 CarbonylContact C-O 3.28Å; I285-D299 VanDerWaalsContact CA-O 3.28Å; I285-D299 WeakPolarHBondContact CA-O 3.25Å; I286-D299 PolarHBondContact N-O 2.89Å; R287-D299 VanDerWaalsContact CB-OD1 3.3Å; R287-D299 WeakPolarHBondContact CB-OD1 3.29Å; R287-D299 IonicContact CZ-OD1 2.77Å; R287-D299 IonicContact CZ-OD2 2.7Å; R287-D299 IonicContact NE-OD1 3.97Å; R287-D299 PolarHBondContact NE-OD1 3.38Å; R287-D299 IonicContact NE-OD2 3.77Å; R287-D299 IonicContact NH2-OD1 3.64Å; R287-D299 PolarHBondContact NH2-OD1 2.76Å; R287-D299 IonicContact NH2-OD2 3.64Å; R287-D299 PolarHBondContact NH2-OD2 2.9Å; F295-D299 WeakPolarHBondContact CA-OD2 3.33Å; F295-D299 HydrophobicContact CD1-CB 4.16Å; K296-D299 PolarHBondContact N-OD2 3.2Å; K296-D299 WeakPolarHBondContact O-CB 3.5Å; K296-D299 PolarHBondContact O-N 3.46Å; K296-D299 VanDerWaalsContact O-N 3.08Å; F297-D299 PolarHBondContact O-N 2.82Å; F297-D299 VanDerWaalsContact O-N 3.17Å |
| 300 | F | 98.6 | Very high | 98.1 | Very high | 12 Ų | 12 | 72.5 Ų | 72.5 | 5% | 0.053 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 113.8 | -174.8 | -54.4 | -71.7 | 0 | 0 | 0 | 111.6 | F85 V89 L93 L236 M240 L283 I285 F295 K296 F297 E298 | F85-F300 HydrophobicContact CZ-CB 4.14Å; V89-F300 HydrophobicContact CG1-CD2 3.48Å; V89-F300 VanDerWaalsContact CG1-CD2 3.48Å; V89-F300 HydrophobicContact CG1-CE2 3.69Å; V89-F300 HydrophobicContact CG1-CG 4.45Å; V89-F300 HydrophobicContact CG2-CD2 4.42Å; L93-F300 HydrophobicContact CD2-CE2 4.49Å; L236-F300 HydrophobicContact CD1-CD1 3.63Å; L236-F300 HydrophobicContact CD1-CE1 3.58Å; L236-F300 HydrophobicContact CD1-CG 4.37Å; L236-F300 HydrophobicContact CD1-CZ 4.26Å; M240-F300 HydrophobicContact CE-CZ 3.96Å; M240-F300 HydrophobicContact CG-CE1 3.74Å; M240-F300 HydrophobicContact CG-CZ 3.83Å; M240-F300 HydrophobicContact SD-CE1 4.17Å; M240-F300 HydrophobicContact SD-CZ 3.74Å; L283-F300 HydrophobicContact CD1-CB 4.15Å; L283-F300 HydrophobicContact CD1-CD1 4.49Å; I285-F300 HydrophobicContact CD1-CE1 4.39Å; I285-F300 HydrophobicContact CG1-CD1 4.08Å; I285-F300 HydrophobicContact CG1-CE1 4.06Å; F295-F300 HydrophobicContact CB-CZ 4.22Å; F295-F300 HydrophobicContact CD1-CE1 4.07Å; F295-F300 HydrophobicContact CD1-CE2 4.37Å; F295-F300 AromaticContact CD1-CZ 3.6Å; F295-F300 HydrophobicContact CD1-CZ 3.6Å; F295-F300 HydrophobicContact CE1-CE1 4.2Å; F295-F300 HydrophobicContact CE1-CZ 4.18Å; F295-F300 HydrophobicContact CG-CZ 4.07Å; K296-F300 VanDerWaalsContact O-CD2 3.32Å; K296-F300 WeakPolarHBondContact O-CD2 3.35Å; K296-F300 WeakPolarHBondContact O-CE2 3.33Å; F297-F300 PolarHBondContact O-N 3.27Å; E298-F300 PolarHBondContact O-N 3.2Å |
| 301 | K | 98.4 | Very high | 98 | Very high | 109 Ų | 109 | 66.5 Ų | 66.5 | 47% | 0.474 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 118.8 | 176.3 | -174 | -177.2 | 177.8 | -169.6 | 0 | 110.4 | E284 I286 I303 | E284-K301 HydrophobicContact CB-CB 4.38Å; E284-K301 PolarHBondContact N-O 3.42Å; E284-K301 PolarHBondContact O-N 2.89Å; I286-K301 HydrophobicContact CG2-CB 3.59Å; I286-K301 HydrophobicContact CG2-CD 4.07Å; K301-I303 HydrophobicContact CD-CD1 4.41Å; K301-I303 HydrophobicContact CD-CG1 4.37Å; K301-I303 HydrophobicContact CG-CG1 4.16Å |
| 302 | L | 98 | Very high | 97.8 | Very high | 44 Ų | 44 | 67.7 Ų | 67.7 | 23% | 0.23 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 123.9 | 175.2 | -163.5 | 71.3 | 0 | 0 | 0 | 110 | Y75 L77 F85 P281 Y305 | Y75-L302 HydrophobicContact CD1-CD1 3.67Å; Y75-L302 HydrophobicContact CE1-CD1 4.21Å; L77-L302 HydrophobicContact CD2-CD1 4.43Å; L77-L302 HydrophobicContact CD2-CD2 3.64Å; F85-L302 HydrophobicContact CD1-CB 4.5Å; F85-L302 HydrophobicContact CD1-CD2 4.31Å; F85-L302 HydrophobicContact CD2-CD2 4.49Å; F85-L302 HydrophobicContact CE1-CB 4.2Å; F85-L302 HydrophobicContact CE2-CD1 4.4Å; F85-L302 HydrophobicContact CG-CD2 4.2Å; F85-L302 HydrophobicContact CZ-CB 4.49Å; P281-L302 HydrophobicContact CB-CD1 3.71Å; P281-L302 HydrophobicContact CB-CG 3.95Å; P281-L302 HydrophobicContact CG-CD1 3.68Å; P281-L302 HydrophobicContact CG-CG 4.26Å; L302-Y305 VanDerWaalsContact CD2-CB 3.45Å; L302-Y305 HydrophobicContact CD2-CD1 3.63Å; L302-Y305 HydrophobicContact CD2-CD2 4.48Å; L302-Y305 HydrophobicContact CD2-CE1 4.49Å; L302-Y305 HydrophobicContact CD2-CG 3.62Å; L302-Y305 HydrophobicContact CG-CG 4.46Å |
| 303 | I | 98.5 | Very high | 97.6 | Very high | 36 Ų | 36 | 68.7 Ų | 68.7 | 19% | 0.185 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 135.7 | -173.9 | -60.2 | 172.7 | 0 | 0 | 0 | 109.5 | P281 K282 E284 K301 Y305 | P281-I303 CarbonylContact C-O 3.51Å; P281-I303 VanDerWaalsContact CA-O 3.27Å; P281-I303 WeakPolarHBondContact CA-O 3.11Å; P281-I303 VanDerWaalsContact CB-O 3.22Å; P281-I303 WeakPolarHBondContact CB-O 3.44Å; K282-I303 HydrophobicContact CB-CB 4.2Å; K282-I303 PolarHBondContact N-O 3.21Å; K282-I303 PolarHBondContact O-N 3.15Å; E284-I303 HydrophobicContact CB-CD1 4.38Å; E284-I303 HydrophobicContact CG-CD1 3.72Å; E284-I303 WeakPolarHBondContact OE1-CD1 3.34Å; E284-I303 WeakPolarHBondContact OE2-CD1 3.47Å; K301-I303 HydrophobicContact CD-CD1 4.41Å; K301-I303 HydrophobicContact CD-CG1 4.37Å; K301-I303 HydrophobicContact CG-CG1 4.16Å; I303-Y305 PolarHBondContact O-N 3.31Å |
| 304 | D | 97.9 | Very high | 97.1 | Very high | 102 Ų | 102 | 73.1 Ų | 73.1 | 55% | 0.545 | 35% | 0.354 | S | S | . | . | S | Bend | trans | 58.2 | 25.5 | 177.5 | -73.8 | -56 | 0 | 0 | 0 | 115.6 | K306 | D304-K306 PolarHBondContact O-N 3.43Å; D304-K306 IonicContact OD1-NZ 3.18Å; D304-K306 PolarHBondContact OD1-NZ 2.67Å; D304-K306 VanDerWaalsContact OD1-NZ 3.14Å |
| 305 | Y | 98.3 | Very high | 96.4 | Very high | 49 Ų | 49 | 74.6 Ų | 74.6 | 19% | 0.192 | 36% | 0.36 | C | S | . | . | trans | -70.4 | 104.1 | 173 | -171.3 | -134 | 0 | 0 | 0 | 111.6 | L77 L78 T79 K81 V83 P281 L302 I303 P307 | L77-Y305 HydrophobicContact CB-CE2 4.19Å; L77-Y305 HydrophobicContact CD2-CD1 3.86Å; L77-Y305 HydrophobicContact CD2-CD2 3.95Å; L77-Y305 HydrophobicContact CD2-CE1 3.52Å; L77-Y305 HydrophobicContact CD2-CE2 3.63Å; L77-Y305 HydrophobicContact CD2-CG 4.07Å; L77-Y305 VanDerWaalsContact CD2-CZ 3.41Å; L77-Y305 HydrophobicContact CG-CD2 4.47Å; L77-Y305 HydrophobicContact CG-CE1 4.31Å; L77-Y305 HydrophobicContact CG-CE2 3.79Å; L78-Y305 WeakPolarHBondContact O-CE2 3.29Å; L78-Y305 PolarHBondContact O-OH 2.98Å; T79-Y305 HydrophobicContact CG2-CE2 4.47Å; K81-Y305 PolarHBondContact O-OH 2.78Å; V83-Y305 PolarHBondContact N-OH 3.21Å; V83-Y305 VanDerWaalsContact N-OH 3.1Å; P281-Y305 HydrophobicContact CB-CD2 4.08Å; P281-Y305 HydrophobicContact CB-CG 4.31Å; P281-Y305 HydrophobicContact CG-CD2 3.68Å; P281-Y305 HydrophobicContact CG-CE2 4.45Å; P281-Y305 HydrophobicContact CG-CG 4.24Å; L302-Y305 VanDerWaalsContact CD2-CB 3.45Å; L302-Y305 HydrophobicContact CD2-CD1 3.63Å; L302-Y305 HydrophobicContact CD2-CD2 4.48Å; L302-Y305 HydrophobicContact CD2-CE1 4.49Å; L302-Y305 HydrophobicContact CD2-CG 3.62Å; L302-Y305 HydrophobicContact CG-CG 4.46Å; I303-Y305 PolarHBondContact O-N 3.31Å; Y305-P307 VanDerWaalsContact C-CD 3.43Å; Y305-P307 HydrophobicContact CD1-CG 4.02Å; Y305-P307 HydrophobicContact CD2-CG 4.49Å; Y305-P307 HydrophobicContact CE1-CB 4.12Å; Y305-P307 HydrophobicContact CE1-CG 3.55Å; Y305-P307 HydrophobicContact CE2-CB 3.84Å; Y305-P307 HydrophobicContact CE2-CG 4.07Å; Y305-P307 HydrophobicContact CG-CG 4.48Å; Y305-P307 WeakPolarHBondContact O-CD 3.48Å | ||
| 306 | K | 98 | Very high | 95.4 | Very high | 129 Ų | 129 | 74.6 Ų | 74.6 | 56% | 0.561 | 36% | 0.362 | S | S | * | . | trans | -120.8 | 66.2 | -177.9 | -64.8 | 170.5 | -169.6 | 164.3 | 0 | 110 | R278 D304 | R278-K306 WeakPolarHBondContact CD-O 3.48Å; R278-K306 PolarHBondContact NH1-O 2.74Å; D304-K306 PolarHBondContact O-N 3.43Å; D304-K306 IonicContact OD1-NZ 3.18Å; D304-K306 PolarHBondContact OD1-NZ 2.67Å; D304-K306 VanDerWaalsContact OD1-NZ 3.14Å | ||
| 307 | P | 98.1 | Very high | 94 | Very high | 30 Ų | 30 | 73.8 Ų | 73.8 | 20% | 0.195 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 163.6 | -178.3 | 33.6 | -38.1 | 0 | 0 | 0 | 112 | T79 T82 R278 Y305 | T79-P307 CarbonylContact O-C 3.4Å; T79-P307 VanDerWaalsContact O-CA 3.26Å; T79-P307 WeakPolarHBondContact O-CA 3.41Å; T82-P307 HydrophobicContact CG2-CG 4.27Å; R278-P307 PolarHBondContact NH1-O 3.17Å; Y305-P307 VanDerWaalsContact C-CD 3.43Å; Y305-P307 HydrophobicContact CD1-CG 4.02Å; Y305-P307 HydrophobicContact CD2-CG 4.49Å; Y305-P307 HydrophobicContact CE1-CB 4.12Å; Y305-P307 HydrophobicContact CE1-CG 3.55Å; Y305-P307 HydrophobicContact CE2-CB 3.84Å; Y305-P307 HydrophobicContact CE2-CG 4.07Å; Y305-P307 HydrophobicContact CG-CG 4.48Å; Y305-P307 WeakPolarHBondContact O-CD 3.48Å |
| 308 | Y | 98.4 | Very high | 93.8 | Very high | 55 Ų | 55 | 75.1 Ų | 75.1 | 22% | 0.216 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 160.3 | 159.9 | -70.6 | -101.2 | 0 | 0 | 0 | 110.1 | T79 K81 T82 R275 V276 R278 | T79-Y308 VanDerWaalsContact O-CD2 3.29Å; T79-Y308 WeakPolarHBondContact O-CD2 3.32Å; T79-Y308 PolarHBondContact O-N 2.64Å; K81-Y308 CarbonylContact C-O 3.59Å; T82-Y308 PolarHBondContact N-O 3.13Å; T82-Y308 VanDerWaalsContact N-O 3.08Å; T82-Y308 PolarHBondContact OG1-O 2.85Å; R275-Y308 HydrophobicContact CB-CE1 4.43Å; R275-Y308 HydrophobicContact CB-CE2 4.36Å; R275-Y308 HydrophobicContact CG-CD1 4.24Å; R275-Y308 HydrophobicContact CG-CE1 4.36Å; R275-Y308 HydrophobicContact CG-CG 4.5Å; R275-Y308 VanDerWaalsContact NH1-CB 3.31Å; V276-Y308 WeakPolarHBondContact O-CE2 3.29Å; V276-Y308 PolarHBondContact O-OH 2.89Å; R278-Y308 HydrophobicContact CG-CE2 3.93Å |
| 309 | P | 97.3 | Very high | 93.6 | Very high | 92 Ų | 92 | 72.6 Ų | 72.6 | 60% | 0.597 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -53 | 148.6 | 176.8 | -27.5 | 35.8 | 0 | 0 | 0 | 113.1 | R275 I311 | R275-P309 PolarHBondContact NH1-O 2.98Å; P309-I311 PolarHBondContact O-N 3.19Å |
| 310 | K | 95.6 | Very high | 93.3 | Very high | 159 Ų | 159 | 76.2 Ų | 76.2 | 69% | 0.691 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -50.8 | 137.1 | 175.1 | -176.6 | 177.5 | 179.1 | 179.2 | 0 | 110.6 | T82 | T82-K310 PolarHBondContact OG1-N 2.94Š|
| 311 | I | 96.4 | Very high | 93 | Very high | 16 Ų | 16 | 80 Ų | 80 | 8% | 0.082 | 40% | 0.398 | C | S | . | . | trans | -101.4 | 113 | 167.8 | -59.8 | 177.1 | 0 | 0 | 0 | 106.7 | K81 A268 Q272 P309 | K81-I311 HydrophobicContact CB-CD1 4.31Å; K81-I311 HydrophobicContact CB-CG1 4.22Å; A268-I311 HydrophobicContact CB-CG2 3.5Å; Q272-I311 HydrophobicContact CB-CD1 3.57Å; Q272-I311 HydrophobicContact CG-CD1 3.94Å; P309-I311 PolarHBondContact O-N 3.19Å | ||
| 312 | P | 93.3 | Very high | 92.7 | Very high | 106 Ų | 106 | 78.2 Ų | 78.2 | 69% | 0.688 | 39% | 0.393 | S | S | * | . | trans | -70.4 | 131.5 | -179.5 | 28.6 | -32.9 | 0 | 0 | 0 | 110.6 | ||||
| 313 | M | 93.6 | Very high | 92.3 | Very high | 29 Ų | 29 | 80.5 Ų | 80.5 | 14% | 0.143 | 40% | 0.404 | C | S | . | . | trans | -136.7 | 135.8 | 172.3 | -74.5 | 176 | -78 | 0 | 0 | 107.6 | K81 G224 L225 H265 A268 L269 | K81-M313 HydrophobicContact CD-CE 4.41Å; G224-M313 VanDerWaalsContact O-CE 3.31Å; G224-M313 WeakPolarHBondContact O-CE 3.47Å; L225-M313 HydrophobicContact CD1-CB 4.33Å; L225-M313 HydrophobicContact CD2-CB 4.08Å; L225-M313 HydrophobicContact CD2-CE 3.93Å; L225-M313 HydrophobicContact CG-CB 4.3Å; L225-M313 HydrophobicContact CG-CE 4.47Å; H265-M313 HydrophobicContact CB-CG 4.35Å; H265-M313 HydrophobicContact CB-SD 3.85Å; A268-M313 HydrophobicContact CB-CG 3.53Å; A268-M313 HydrophobicContact CB-SD 3.97Å; L269-M313 HydrophobicContact CD2-CE 4.25Å; L269-M313 HydrophobicContact CD2-SD 3.9Å; L269-M313 HydrophobicContact CG-SD 4.17Å | ||
| 314 | K | 89.1 | Confident | 91.9 | Very high | 174 Ų | 174 | 83.6 Ų | 83.6 | 76% | 0.757 | 42% | 0.419 | S | S | * | . | trans | -82.8 | 136.2 | 175.5 | -67.4 | -175.9 | 179 | -178.1 | 0 | 109 | H265 | H265-K314 PolarHBondContact NE2-O 3.2Š| ||
| 315 | M | 82.7 | Confident | 91.4 | Very high | 106 Ų | 106 | 82.2 Ų | 82.2 | 52% | 0.522 | 41% | 0.41 | S | S | . | . | trans | -60.1 | 139.8 | 172.1 | -65.6 | -169 | -64.7 | 0 | 0 | 109.8 | L225 L317 | L225-M315 HydrophobicContact CD1-CG 4.03Å; M315-L317 HydrophobicContact CB-CG 4.44Å | ||
| 316 | A | 79.3 | Confident | 90.8 | Very high | 11 Ų | 11 | 85 Ų | 85 | 9% | 0.091 | 43% | 0.428 | C | S | . | . | trans | -85.5 | 109 | 167.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | T54 T56 Y262 | T54-A316 HydrophobicContact CG2-CB 4.31Å; T56-A316 HydrophobicContact CG2-CB 4.42Å; Y262-A316 HydrophobicContact CD1-CB 3.39Å; Y262-A316 HydrophobicContact CD2-CB 4Å; Y262-A316 HydrophobicContact CE1-CB 3.44Å; Y262-A316 VanDerWaalsContact CE1-CB 3.44Å; Y262-A316 HydrophobicContact CE2-CB 4.04Å; Y262-A316 HydrophobicContact CG-CB 3.68Å | ||
| 317 | L | 68.3 | Low | 90.2 | Very high | 113 Ų | 113 | 81 Ų | 81 | 59% | 0.592 | 42% | 0.416 | S | S | * | . | trans | -101.3 | 0 | 179.9 | -72.3 | 174.4 | 0 | 0 | 0 | 110.3 | R53 T54 A115 M315 | R53-L317 PolarHBondContact NH1-OXT 2.93Å; T54-L317 WeakPolarHBondContact CB-O 3.35Å; T54-L317 VanDerWaalsContact CG2-C 3.41Å; T54-L317 VanDerWaalsContact CG2-OXT 3.25Å; T54-L317 WeakPolarHBondContact CG2-OXT 3.42Å; A115-L317 HydrophobicContact CB-CD1 4.07Å; A115-L317 HydrophobicContact CB-CD2 4.07Å; M315-L317 HydrophobicContact CB-CG 4.44Å |
Retrieved 317 of 317 residues in 131.8 ms
(Link to these results)