| 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 | 27.4 | Very low | 35.6 | Very low | 233 Ų | 233 | 132.7 Ų | 132.7 | 100% | 1.148 | 69% | 0.688 | S | S | * | * | 0 | 126.8 | 0 | -68 | -164.3 | 175.8 | 0 | 0 | 107 | E3 | M1-E3 PolarHBondContact O-N 2.79Š| |||
| 2 | P | 31.8 | Very low | 36.3 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 75% | 0.753 | 70% | 0.699 | S | S | * | * | trans | -67 | 129.2 | 170.7 | 13 | -3.9 | 0 | 0 | 0 | 108.1 | F4 | P2-F4 PolarHBondContact O-N 3.2Š| ||
| 3 | E | 29.2 | Very low | 37.4 | Very low | 178 Ų | 178 | 129.5 Ų | 129.5 | 83% | 0.832 | 66% | 0.658 | S | S | * | * | trans | -54.3 | 110.1 | 172.4 | -75.2 | 179.7 | 152.3 | 0 | 0 | 108.8 | M1 K5 | M1-E3 PolarHBondContact O-N 2.79Å; E3-K5 PolarHBondContact O-N 2.81Å | ||
| 4 | F | 27.4 | Very low | 38.5 | Very low | 198 Ų | 198 | 134.5 Ų | 134.5 | 87% | 0.868 | 67% | 0.674 | S | S | * | * | trans | -64 | 92 | 165 | -97.7 | -96 | 0 | 0 | 0 | 107.3 | P2 L6 | P2-F4 PolarHBondContact O-N 3.2Å; F4-L6 PolarHBondContact O-N 2.87Å | ||
| 5 | K | 28.5 | Very low | 39.9 | Very low | 185 Ų | 185 | 127.2 Ų | 127.2 | 80% | 0.804 | 64% | 0.639 | S | S | * | * | trans | -61.6 | 107.8 | 160.2 | -79.6 | -172.2 | 176.6 | -178.3 | 0 | 106.4 | E3 | E3-K5 PolarHBondContact O-N 2.81Š| ||
| 6 | L | 29 | Very low | 41.3 | Very low | 151 Ų | 151 | 120.8 Ų | 120.8 | 79% | 0.791 | 61% | 0.614 | S | S | * | * | trans | -49 | 135 | 165.8 | -78.4 | 158.1 | 0 | 0 | 0 | 108.1 | F4 L8 | F4-L6 PolarHBondContact O-N 2.87Å; L6-L8 PolarHBondContact O-N 3.3Å | ||
| 7 | P | 32.9 | Very low | 42.9 | Very low | 96 Ų | 96 | 119.8 Ų | 119.8 | 62% | 0.623 | 62% | 0.621 | S | S | * | * | trans | -57.3 | 125.4 | 175.9 | 21.6 | -30.1 | 0 | 0 | 0 | 109.3 | C9 | P7-C9 PolarHBondContact O-N 3.34Å; P7-C9 VanDerWaalsContact O-N 3.15Å | ||
| 8 | L | 49.6 | Very low | 45.3 | Very low | 106 Ų | 106 | 116.3 Ų | 116.3 | 56% | 0.555 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -61.4 | -19.9 | -178.7 | -73.3 | 165.2 | 0 | 0 | 0 | 113.2 | L6 F139 P140 | L6-L8 PolarHBondContact O-N 3.3Å; L8-F139 HydrophobicContact CB-CE2 4.33Å; L8-P140 HydrophobicContact CD2-CG 4.49Å; L8-P140 VanDerWaalsContact O-CD 3.32Å; L8-P140 WeakPolarHBondContact O-CD 3.47Å |
| 9 | C | 42.6 | Very low | 47.8 | Very low | 21 Ų | 21 | 110.4 Ų | 110.4 | 14% | 0.142 | 57% | 0.573 | C | S | . | * | S | Bend | trans | -113.2 | 132.4 | -173.3 | -164.1 | 0 | 0 | 0 | 0 | 106.8 | P7 P11 C164 | P7-C9 PolarHBondContact O-N 3.34Å; P7-C9 VanDerWaalsContact O-N 3.15Å; C9-P11 WeakPolarHBondContact O-CD 2.98Å; C9-P11 VanDerWaalsContact O-N 3.12Å; C9-C164 HydrophobicContact CB-CB 3.95Å; C9-C164 WeakPolarHBondContact CB-SG 3.49Å; C9-C164 WeakPolarHBondContact SG-CB 2.86Å; C9-C164 CovalentContact SG-SG 2.08Å; C9-C164 PolarHBondContact SG-SG 2.79Å |
| 10 | N | 50.1 | Low | 50.2 | Low | 84 Ų | 84 | 104.9 Ų | 104.9 | 45% | 0.449 | 54% | 0.544 | S | S | . | . | trans | -68.2 | 108.3 | 173.6 | -169 | -3.9 | 0 | 0 | 0 | 108.5 | F12 M13 | N10-F12 PolarHBondContact O-N 3.34Å; N10-M13 HydrophobicContact CB-CG 4.44Å; N10-M13 HydrophobicContact CB-SD 4.13Å; N10-M13 PolarHBondContact O-N 2.91Å | ||
| 11 | P | 43.5 | Very low | 52.5 | Low | 92 Ų | 92 | 99.9 Ų | 99.9 | 60% | 0.597 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -11.4 | -167.7 | 27.1 | -33.2 | 0 | 0 | 0 | 113.5 | C9 | C9-P11 WeakPolarHBondContact O-CD 2.98Å; C9-P11 VanDerWaalsContact O-N 3.12Å |
| 12 | F | 43.6 | Very low | 55.8 | Low | 189 Ų | 189 | 88.8 Ų | 88.8 | 83% | 0.829 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 3.1 | -177.3 | -62.7 | -75.6 | 0 | 0 | 0 | 114.6 | N10 | N10-F12 PolarHBondContact O-N 3.34Š|
| 13 | M | 50.6 | Low | 58.8 | Low | 34 Ų | 34 | 84.7 Ų | 84.7 | 17% | 0.167 | 43% | 0.433 | C | S | . | . | trans | -105.3 | 113 | -178.1 | -73.4 | 177.9 | 65.1 | 0 | 0 | 111.8 | N10 V15 N105 R136 F138 Q168 | N10-M13 HydrophobicContact CB-CG 4.44Å; N10-M13 HydrophobicContact CB-SD 4.13Å; N10-M13 PolarHBondContact O-N 2.91Å; M13-V15 PolarHBondContact O-N 3.08Å; M13-N105 HydrophobicContact CE-CB 4.46Å; M13-N105 WeakPolarHBondContact CE-OD1 3.42Å; M13-R136 HydrophobicContact CE-CB 4.19Å; M13-F138 HydrophobicContact CE-CB 4.03Å; M13-Q168 PolarHBondContact O-NE2 3.14Å; M13-Q168 VanDerWaalsContact O-NE2 3.16Å; M13-Q168 PolarHBondContact O-OE1 2Å | ||
| 14 | K | 53.3 | Low | 61.7 | Low | 200 Ų | 200 | 76.2 Ų | 76.2 | 87% | 0.87 | 39% | 0.394 | S | S | * | . | trans | -74.2 | 110.9 | 168.2 | -73.2 | -172.1 | 175.5 | -172 | 0 | 109.6 | ||||
| 15 | V | 59.4 | Low | 64.3 | Low | 25 Ų | 25 | 67.1 Ų | 67.1 | 15% | 0.152 | 36% | 0.355 | C | S | . | . | trans | -74.7 | 139.1 | 169.9 | 175.5 | 0 | 0 | 0 | 0 | 109.4 | M13 C67 F138 L165 | M13-V15 PolarHBondContact O-N 3.08Å; V15-C67 HydrophobicContact CG1-CB 3.58Å; V15-C67 WeakPolarHBondContact CG1-SG 3.3Å; V15-F138 HydrophobicContact CG2-CD2 4.15Å; V15-F138 HydrophobicContact CG2-CE2 4.37Å; V15-F138 HydrophobicContact CG2-CG 4.32Å; V15-L165 HydrophobicContact CB-CD2 4.34Å; V15-L165 HydrophobicContact CG1-CD2 3.89Å; V15-L165 HydrophobicContact CG2-CD2 4.33Å | ||
| 16 | G | 61.2 | Low | 66.5 | Low | 24 Ų | 24 | 61.3 Ų | 61.3 | 25% | 0.247 | 33% | 0.33 | C | S | . | . | trans | -63.5 | 149.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | N18 | G16-N18 PolarHBondContact O-N 3.28Å; G16-N18 VanDerWaalsContact O-N 3.13Å | ||
| 17 | S | 69.7 | Low | 68.5 | Low | 104 Ų | 104 | 57.8 Ų | 57.8 | 73% | 0.727 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -65.9 | -13.5 | -175.8 | 45 | 0 | 0 | 0 | 0 | 115.2 | T47 | S17-T47 WeakPolarHBondContact O-CB 3.5Š|
| 18 | N | 85.3 | Confident | 70.3 | Confident | 57 Ų | 57 | 53.9 Ų | 53.9 | 31% | 0.305 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 110 | 178.8 | -170.6 | -2.3 | 0 | 0 | 0 | 110 | G16 R49 | G16-N18 PolarHBondContact O-N 3.28Å; G16-N18 VanDerWaalsContact O-N 3.13Å; N18-R49 PolarHBondContact OD1-NE 3.47Å |
| 19 | I | 93.4 | Very high | 71.5 | Confident | 5 Ų | 5 | 51.6 Ų | 51.6 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 128.2 | -176.9 | -61.2 | 158.5 | 0 | 0 | 0 | 109.1 | L46 T47 V48 R49 C67 L69 L165 | I19-L46 HydrophobicContact CD1-CB 4.29Å; I19-L46 HydrophobicContact CD1-CD1 4.14Å; I19-T47 PolarHBondContact N-O 3.19Å; I19-V48 HydrophobicContact CB-CG2 4.29Å; I19-V48 HydrophobicContact CG2-CG2 4.24Å; I19-V48 CarbonylContact O-C 3.56Å; I19-V48 VanDerWaalsContact O-CA 3.29Å; I19-V48 WeakPolarHBondContact O-CA 3.27Å; I19-R49 PolarHBondContact O-N 3.31Å; I19-C67 HydrophobicContact CG1-CB 4.46Å; I19-L69 HydrophobicContact CG2-CD1 3.94Å; I19-L69 HydrophobicContact CG2-CD2 4.44Å; I19-L69 HydrophobicContact CG2-CG 3.82Å; I19-L165 HydrophobicContact CD1-CD1 4.1Å; I19-L165 HydrophobicContact CD1-CD2 4.19Å |
| 20 | L | 96 | Very high | 73.6 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 116.3 | 171 | 177.9 | 66 | 0 | 0 | 0 | 110.3 | A22 R49 F60 E65 C67 V68 L69 | L20-A22 HydrophobicContact CD2-CB 4.45Å; L20-A22 HydrophobicContact CG-CB 4.32Å; L20-R49 HydrophobicContact CD1-CB 4.07Å; L20-F60 HydrophobicContact CD2-CB 3.91Å; L20-F60 HydrophobicContact CD2-CD1 4.19Å; L20-F60 HydrophobicContact CD2-CD2 3.39Å; L20-F60 HydrophobicContact CD2-CE2 3.87Å; L20-F60 HydrophobicContact CD2-CG 3.57Å; L20-F60 HydrophobicContact CD2-CZ 4.44Å; L20-E65 HydrophobicContact CD2-CG 3.95Å; L20-C67 PolarHBondContact N-O 3.4Å; L20-V68 HydrophobicContact CB-CG2 4.21Å; L20-V68 HydrophobicContact CD2-CG1 4.43Å; L20-V68 HydrophobicContact CD2-CG2 4.23Å; L20-V68 HydrophobicContact CG-CG1 4.5Å; L20-V68 CarbonylContact O-C 3.47Å; L20-V68 VanDerWaalsContact O-CA 3.29Å; L20-V68 WeakPolarHBondContact O-CA 3.27Å; L20-L69 PolarHBondContact O-N 2.88Å |
| 21 | V | 97.2 | Very high | 75.2 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 114.7 | 164.9 | -175.8 | 0 | 0 | 0 | 0 | 108.1 | A34 L37 L41 V48 R49 L50 S51 L69 | V21-A34 HydrophobicContact CG1-CB 3.86Å; V21-L37 HydrophobicContact CG1-CD2 4.29Å; V21-L37 HydrophobicContact CG2-CG 4.48Å; V21-L41 HydrophobicContact CG2-CD1 4.08Å; V21-V48 HydrophobicContact CG2-CG2 3.61Å; V21-R49 PolarHBondContact N-O 3.05Å; V21-L50 HydrophobicContact CB-CD1 3.99Å; V21-L50 HydrophobicContact CG1-CD1 3.81Å; V21-L50 WeakPolarHBondContact O-CA 3.21Å; V21-S51 PolarHBondContact O-N 3.27Å; V21-L69 HydrophobicContact CG2-CB 4.43Å; V21-L69 HydrophobicContact CG2-CD1 4.2Å |
| 22 | A | 97.3 | Very high | 76.8 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 125.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L20 S51 L53 V68 L69 F70 V71 | L20-A22 HydrophobicContact CD2-CB 4.45Å; L20-A22 HydrophobicContact CG-CB 4.32Å; A22-S51 VanDerWaalsContact CA-O 3.29Å; A22-S51 WeakPolarHBondContact CA-O 3.3Å; A22-L53 HydrophobicContact CB-CD2 3.65Å; A22-L53 HydrophobicContact CB-CG 4.5Å; A22-V68 HydrophobicContact CB-CG1 3.77Å; A22-L69 PolarHBondContact N-O 3.01Å; A22-F70 HydrophobicContact CB-CD1 4.11Å; A22-F70 HydrophobicContact CB-CE1 4.24Å; A22-F70 CarbonylContact O-C 3.53Å; A22-F70 VanDerWaalsContact O-CA 3.31Å; A22-F70 WeakPolarHBondContact O-CA 3.31Å; A22-V71 PolarHBondContact O-N 3.12Å |
| 23 | Y | 95.2 | Very high | 78.7 | Confident | 29 Ų | 29 | 39.5 Ų | 39.5 | 11% | 0.114 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 153.7 | -175.6 | 71.1 | -92.6 | 0 | 0 | 0 | 114.8 | K31 A34 L50 S51 C52 L53 V71 | Y23-K31 HydrophobicContact CD2-CB 3.66Å; Y23-K31 HydrophobicContact CD2-CG 4.13Å; Y23-K31 HydrophobicContact CE1-CG 4.11Å; Y23-K31 HydrophobicContact CE2-CB 3.5Å; Y23-K31 VanDerWaalsContact CE2-CB 3.5Å; Y23-K31 HydrophobicContact CE2-CD 3.93Å; Y23-K31 HydrophobicContact CE2-CG 3.56Å; Y23-K31 HydrophobicContact CG-CB 4.32Å; Y23-A34 HydrophobicContact CD1-CB 3.89Å; Y23-A34 HydrophobicContact CG-CB 4Å; Y23-L50 HydrophobicContact CD1-CD1 3.76Å; Y23-L50 HydrophobicContact CD1-CG 4.4Å; Y23-L50 HydrophobicContact CE1-CD1 4.01Å; Y23-L50 HydrophobicContact CE1-CG 4.15Å; Y23-S51 WeakPolarHBondContact CD1-O 3.5Å; Y23-S51 PolarHBondContact N-O 3.49Å; Y23-C52 HydrophobicContact CE1-CB 4.17Å; Y23-C52 HydrophobicContact CE2-CB 3.89Å; Y23-C52 CarbonylContact O-C 3.54Å; Y23-L53 WeakPolarHBondContact O-CG 3.34Å; Y23-L53 PolarHBondContact O-N 2.95Å; Y23-V71 CarbonylContact C-O 3.53Å; Y23-V71 WeakPolarHBondContact CA-O 3.49Å; Y23-V71 WeakPolarHBondContact CB-O 3.38Å |
| 24 | A | 90.4 | Very high | 80.5 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 117.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | A30 L53 V71 V72 S73 P81 | A24-A30 WeakPolarHBondContact O-CB 3.29Å; A24-L53 HydrophobicContact CB-CB 4.25Å; A24-L53 HydrophobicContact CB-CD1 3.65Å; A24-L53 HydrophobicContact CB-CG 4.15Å; A24-V71 PolarHBondContact N-O 2.9Å; A24-V72 HydrophobicContact CB-CG1 4.13Å; A24-V72 HydrophobicContact CB-CG2 4.29Å; A24-S73 PolarHBondContact O-N 3.3Å; A24-S73 PolarHBondContact O-OG 3.36Å; A24-P81 HydrophobicContact CB-CG 3.67Å |
| 25 | S | 80.6 | Confident | 82.1 | Confident | 8 Ų | 8 | 30 Ų | 30 | 6% | 0.056 | 18% | 0.181 | C | C | . | . | trans | -135.7 | 139.1 | -170.7 | -161.9 | 0 | 0 | 0 | 0 | 111.5 | G28 Q29 A30 S73 T83 | S25-G28 WeakPolarHBondContact OG-CA 3.36Å; S25-G28 PolarHBondContact OG-N 2.76Å; S25-Q29 PolarHBondContact OG-N 2.77Å; S25-A30 PolarHBondContact OG-N 3.07Å; S25-S73 WeakPolarHBondContact CA-OG 3.41Å; S25-T83 PolarHBondContact N-OG1 3.5Å; S25-T83 WeakPolarHBondContact O-CG2 3.37Å; S25-T83 PolarHBondContact O-OG1 3.28Å | ||
| 26 | Q | 75.6 | Confident | 83.3 | Confident | 62 Ų | 62 | 33.1 Ų | 33.1 | 29% | 0.29 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -93.5 | -49.4 | 171.3 | -166.2 | 65.3 | 19.1 | 0 | 0 | 112 | T75 P81 D82 Y688 | Q26-T75 HydrophobicContact CB-CG2 3.5Å; Q26-T75 VanDerWaalsContact CB-CG2 3.5Å; Q26-T75 HydrophobicContact CG-CG2 3.72Å; Q26-P81 HydrophobicContact CB-CB 3.98Å; Q26-D82 PolarHBondContact NE2-OD2 3.43Å; Q26-D82 PolarHBondContact OE1-OD2 2.73Å; Q26-Y688 PolarHBondContact NE2-OH 3.2Å |
| 27 | T | 70 | Confident | 84.7 | Confident | 78 Ų | 78 | 32 Ų | 32 | 48% | 0.479 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -105.3 | 6.1 | -175 | 53.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 28 | G | 70.7 | Confident | 85.7 | Confident | 14 Ų | 14 | 29.7 Ų | 29.7 | 14% | 0.144 | 16% | 0.16 | C | C | . | . | S | Bend | trans | 96 | -15.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | S25 A30 K31 S32 | S25-G28 WeakPolarHBondContact OG-CA 3.36Å; S25-G28 PolarHBondContact OG-N 2.76Å; G28-A30 PolarHBondContact O-N 2.7Å; G28-K31 WeakPolarHBondContact O-CA 3.41Å; G28-K31 VanDerWaalsContact O-CB 3.32Å; G28-K31 WeakPolarHBondContact O-CB 3.44Å; G28-K31 PolarHBondContact O-N 3.25Å; G28-K31 VanDerWaalsContact O-N 3.07Å; G28-S32 PolarHBondContact O-N 3.39Å |
| 29 | Q | 76 | Confident | 85.9 | Confident | 57 Ų | 57 | 32.7 Ų | 32.7 | 27% | 0.266 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -56.3 | -55.5 | -178.2 | -67.3 | -63.1 | -16.6 | 0 | 0 | 113.9 | S25 K31 S32 I33 L111 | S25-Q29 PolarHBondContact OG-N 2.77Å; Q29-K31 PolarHBondContact O-N 2.82Å; Q29-S32 WeakPolarHBondContact O-CB 3.14Å; Q29-S32 PolarHBondContact O-N 3.26Å; Q29-S32 VanDerWaalsContact O-N 3.1Å; Q29-I33 PolarHBondContact O-N 2.88Å; Q29-I33 VanDerWaalsContact O-N 3.08Å; Q29-L111 HydrophobicContact CB-CD2 4.27Å |
| 30 | A | 85.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.2 | -28.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A24 S25 G28 A34 V71 L111 | A24-A30 WeakPolarHBondContact O-CB 3.29Å; S25-A30 PolarHBondContact OG-N 3.07Å; G28-A30 PolarHBondContact O-N 2.7Å; A30-A34 VanDerWaalsContact O-CB 3.25Å; A30-A34 WeakPolarHBondContact O-CB 3.41Å; A30-A34 PolarHBondContact O-N 3.22Å; A30-V71 HydrophobicContact CB-CG1 4.01Å; A30-V71 WeakPolarHBondContact O-CG1 3.11Å; A30-L111 HydrophobicContact CB-CD2 4.2Å |
| 31 | K | 84.4 | Confident | 85.3 | Confident | 55 Ų | 55 | 34.8 Ų | 34.8 | 24% | 0.239 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.8 | -44.9 | 174.5 | 176.2 | -175.9 | 179.6 | -159.6 | 0 | 110.8 | Y23 G28 Q29 A34 S35 E543 | Y23-K31 HydrophobicContact CD2-CB 3.66Å; Y23-K31 HydrophobicContact CD2-CG 4.13Å; Y23-K31 HydrophobicContact CE1-CG 4.11Å; Y23-K31 HydrophobicContact CE2-CB 3.5Å; Y23-K31 VanDerWaalsContact CE2-CB 3.5Å; Y23-K31 HydrophobicContact CE2-CD 3.93Å; Y23-K31 HydrophobicContact CE2-CG 3.56Å; Y23-K31 HydrophobicContact CG-CB 4.32Å; G28-K31 WeakPolarHBondContact O-CA 3.41Å; G28-K31 VanDerWaalsContact O-CB 3.32Å; G28-K31 WeakPolarHBondContact O-CB 3.44Å; G28-K31 PolarHBondContact O-N 3.25Å; G28-K31 VanDerWaalsContact O-N 3.07Å; Q29-K31 PolarHBondContact O-N 2.82Å; K31-A34 PolarHBondContact O-N 3.46Å; K31-S35 PolarHBondContact O-N 3.11Å; K31-S35 PolarHBondContact O-OG 3.03Å; K31-S35 VanDerWaalsContact O-OG 3.11Å; K31-E543 IonicContact NZ-OE1 2.87Å; K31-E543 PolarHBondContact NZ-OE1 3.14Å; K31-E543 IonicContact NZ-OE2 2.67Å; K31-E543 PolarHBondContact NZ-OE2 3Å |
| 32 | S | 77 | Confident | 85 | Confident | 61 Ų | 61 | 40.5 Ų | 40.5 | 43% | 0.427 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59 | -48.8 | 177.8 | -179.2 | 0 | 0 | 0 | 0 | 111.2 | G28 Q29 A34 S35 L36 | G28-S32 PolarHBondContact O-N 3.39Å; Q29-S32 WeakPolarHBondContact O-CB 3.14Å; Q29-S32 PolarHBondContact O-N 3.26Å; Q29-S32 VanDerWaalsContact O-N 3.1Å; S32-A34 VanDerWaalsContact C-N 3.33Å; S32-A34 PolarHBondContact O-N 3.02Å; S32-S35 WeakPolarHBondContact O-CB 3.33Å; S32-S35 PolarHBondContact O-N 2.98Å; S32-S35 VanDerWaalsContact O-N 3.16Å; S32-L36 WeakPolarHBondContact O-CG 3.48Å; S32-L36 PolarHBondContact O-N 3.27Å |
| 33 | I | 83 | Confident | 84.4 | Confident | 16 Ų | 16 | 44.8 Ų | 44.8 | 8% | 0.082 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.4 | -44.7 | 175.8 | -64.2 | 175.7 | 0 | 0 | 0 | 111.1 | Q29 S35 L36 L37 V71 L109 L111 T150 A154 M158 | Q29-I33 PolarHBondContact O-N 2.88Å; Q29-I33 VanDerWaalsContact O-N 3.08Å; I33-S35 VanDerWaalsContact C-N 3.34Å; I33-S35 PolarHBondContact O-N 3.07Å; I33-L36 PolarHBondContact O-N 3.02Å; I33-L37 WeakPolarHBondContact O-CB 3.35Å; I33-L37 PolarHBondContact O-N 3.44Å; I33-V71 HydrophobicContact CB-CG1 4.17Å; I33-V71 HydrophobicContact CG2-CG1 4Å; I33-L109 HydrophobicContact CG2-CD2 3.81Å; I33-L111 HydrophobicContact CD1-CD1 4.37Å; I33-L111 HydrophobicContact CD1-CD2 3.92Å; I33-L111 HydrophobicContact CD1-CG 4.48Å; I33-T150 HydrophobicContact CD1-CG2 3.78Å; I33-A154 HydrophobicContact CD1-CB 4.06Å; I33-A154 HydrophobicContact CG2-CB 4.46Å; I33-M158 HydrophobicContact CG2-CE 4.46Å; I33-M158 HydrophobicContact CG2-SD 3.74Å |
| 34 | A | 90 | Very high | 84 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.8 | -37.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | V21 Y23 A30 K31 S32 Y38 L50 V71 | V21-A34 HydrophobicContact CG1-CB 3.86Å; Y23-A34 HydrophobicContact CD1-CB 3.89Å; Y23-A34 HydrophobicContact CG-CB 4Å; A30-A34 VanDerWaalsContact O-CB 3.25Å; A30-A34 WeakPolarHBondContact O-CB 3.41Å; A30-A34 PolarHBondContact O-N 3.22Å; K31-A34 PolarHBondContact O-N 3.46Å; S32-A34 VanDerWaalsContact C-N 3.33Å; S32-A34 PolarHBondContact O-N 3.02Å; A34-Y38 VanDerWaalsContact O-CB 3.31Å; A34-Y38 WeakPolarHBondContact O-CB 3.14Å; A34-Y38 PolarHBondContact O-N 3.47Å; A34-L50 HydrophobicContact CB-CD1 3.9Å; A34-V71 HydrophobicContact CB-CB 4.17Å; A34-V71 HydrophobicContact CB-CG2 4.1Å |
| 35 | S | 86.2 | Confident | 83.7 | Confident | 34 Ų | 34 | 49.5 Ų | 49.5 | 24% | 0.238 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.2 | -44.8 | 174.3 | -65.5 | 0 | 0 | 0 | 0 | 111.6 | K31 S32 I33 L37 Y38 E39 | K31-S35 PolarHBondContact O-N 3.11Å; K31-S35 PolarHBondContact O-OG 3.03Å; K31-S35 VanDerWaalsContact O-OG 3.11Å; S32-S35 WeakPolarHBondContact O-CB 3.33Å; S32-S35 PolarHBondContact O-N 2.98Å; S32-S35 VanDerWaalsContact O-N 3.16Å; I33-S35 VanDerWaalsContact C-N 3.34Å; I33-S35 PolarHBondContact O-N 3.07Å; S35-L37 PolarHBondContact O-N 3.45Å; S35-Y38 WeakPolarHBondContact O-CB 3.27Å; S35-Y38 PolarHBondContact O-N 2.65Å; S35-E39 WeakPolarHBondContact O-CG 3.48Å; S35-E39 PolarHBondContact O-N 3.01Å |
| 36 | L | 85.1 | Confident | 84 | Confident | 92 Ų | 92 | 49.8 Ų | 49.8 | 48% | 0.482 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 176.2 | -70.3 | 172.7 | 0 | 0 | 0 | 111.7 | S32 I33 E39 S40 M158 | S32-L36 WeakPolarHBondContact O-CG 3.48Å; S32-L36 PolarHBondContact O-N 3.27Å; I33-L36 PolarHBondContact O-N 3.02Å; L36-E39 PolarHBondContact O-N 3.27Å; L36-S40 WeakPolarHBondContact O-CB 3.5Å; L36-S40 PolarHBondContact O-N 3.47Å; L36-M158 HydrophobicContact CB-SD 4.5Å |
| 37 | L | 89.8 | Confident | 84.7 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 174.6 | 179.8 | 60 | 0 | 0 | 0 | 111.6 | V21 I33 S35 E39 S40 L41 L69 W157 M158 I161 | V21-L37 HydrophobicContact CG1-CD2 4.29Å; V21-L37 HydrophobicContact CG2-CG 4.48Å; I33-L37 WeakPolarHBondContact O-CB 3.35Å; I33-L37 PolarHBondContact O-N 3.44Å; S35-L37 PolarHBondContact O-N 3.45Å; L37-E39 PolarHBondContact O-N 2.83Å; L37-S40 PolarHBondContact O-N 3.06Å; L37-L41 HydrophobicContact CD1-CD1 3.96Å; L37-L41 HydrophobicContact CD1-CG 4.06Å; L37-L41 HydrophobicContact CG-CD1 3.94Å; L37-L41 HydrophobicContact CG-CG 4.45Å; L37-L41 WeakPolarHBondContact O-CB 3.31Å; L37-L41 VanDerWaalsContact O-CG 3.24Å; L37-L41 WeakPolarHBondContact O-CG 3.28Å; L37-L41 PolarHBondContact O-N 3.08Å; L37-L69 HydrophobicContact CD2-CB 4.31Å; L37-L69 HydrophobicContact CD2-CD1 3.9Å; L37-L69 HydrophobicContact CG-CD1 4.4Å; L37-W157 HydrophobicContact CD2-CZ3 3.97Å; L37-M158 HydrophobicContact CB-CG 4.31Å; L37-M158 HydrophobicContact CB-SD 4.01Å; L37-M158 HydrophobicContact CD1-CB 4.21Å; L37-M158 HydrophobicContact CD1-CG 4.1Å; L37-I161 HydrophobicContact CD1-CG2 4.01Å |
| 38 | Y | 91.7 | Very high | 85.8 | Confident | 56 Ų | 56 | 48.2 Ų | 48.2 | 22% | 0.22 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.6 | -47.6 | 175.3 | 165.1 | -95.1 | 0 | 0 | 0 | 111.8 | A34 S35 L41 K42 V48 L50 | A34-Y38 VanDerWaalsContact O-CB 3.31Å; A34-Y38 WeakPolarHBondContact O-CB 3.14Å; A34-Y38 PolarHBondContact O-N 3.47Å; S35-Y38 WeakPolarHBondContact O-CB 3.27Å; S35-Y38 PolarHBondContact O-N 2.65Å; Y38-L41 PolarHBondContact O-N 3.12Å; Y38-K42 HydrophobicContact CE1-CD 4.16Å; Y38-K42 VanDerWaalsContact O-CB 3.27Å; Y38-K42 WeakPolarHBondContact O-CB 3.46Å; Y38-K42 PolarHBondContact O-N 3.21Å; Y38-V48 HydrophobicContact CD2-CB 4.31Å; Y38-V48 HydrophobicContact CD2-CG1 3.65Å; Y38-V48 HydrophobicContact CD2-CG2 3.91Å; Y38-V48 HydrophobicContact CE2-CG1 3.7Å; Y38-V48 WeakPolarHBondContact CE2-O 3.4Å; Y38-L50 HydrophobicContact CD2-CB 3.71Å; Y38-L50 HydrophobicContact CE2-CB 4.23Å; Y38-L50 HydrophobicContact CG-CB 3.89Å; Y38-L50 HydrophobicContact CG-CD2 4.4Å |
| 39 | E | 88 | Confident | 86.9 | Confident | 120 Ų | 120 | 51.4 Ų | 51.4 | 56% | 0.561 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -64.3 | -42.8 | 178.3 | -72.7 | 177.7 | -175 | 0 | 0 | 111.9 | S35 L36 L37 K42 A43 | S35-E39 WeakPolarHBondContact O-CG 3.48Å; S35-E39 PolarHBondContact O-N 3.01Å; L36-E39 PolarHBondContact O-N 3.27Å; L37-E39 PolarHBondContact O-N 2.83Å; E39-K42 PolarHBondContact O-N 2.88Å; E39-A43 WeakPolarHBondContact O-CB 3.33Å; E39-A43 PolarHBondContact O-N 3.43Å |
| 40 | S | 87.8 | Confident | 87.8 | Confident | 48 Ų | 48 | 51.1 Ų | 51.1 | 34% | 0.336 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.2 | -47 | 176.9 | -175.8 | 0 | 0 | 0 | 0 | 112.1 | L36 L37 A43 K44 | L36-S40 WeakPolarHBondContact O-CB 3.5Å; L36-S40 PolarHBondContact O-N 3.47Å; L37-S40 PolarHBondContact O-N 3.06Å; S40-A43 PolarHBondContact O-N 3.27Å; S40-K44 PolarHBondContact O-N 3.3Å |
| 41 | L | 90.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.3 | -39.4 | 178.3 | -66 | 170.7 | 0 | 0 | 0 | 111.9 | V21 L37 Y38 K44 L46 V48 L69 A162 L165 | V21-L41 HydrophobicContact CG2-CD1 4.08Å; L37-L41 HydrophobicContact CD1-CD1 3.96Å; L37-L41 HydrophobicContact CD1-CG 4.06Å; L37-L41 HydrophobicContact CG-CD1 3.94Å; L37-L41 HydrophobicContact CG-CG 4.45Å; L37-L41 WeakPolarHBondContact O-CB 3.31Å; L37-L41 VanDerWaalsContact O-CG 3.24Å; L37-L41 WeakPolarHBondContact O-CG 3.28Å; L37-L41 PolarHBondContact O-N 3.08Å; Y38-L41 PolarHBondContact O-N 3.12Å; L41-K44 PolarHBondContact O-N 2.58Å; L41-L46 HydrophobicContact CB-CD1 4.13Å; L41-L46 HydrophobicContact CD2-CD1 3.59Å; L41-L46 HydrophobicContact CG-CD1 4.43Å; L41-L46 WeakPolarHBondContact O-CB 3.25Å; L41-L46 PolarHBondContact O-N 2.83Å; L41-V48 HydrophobicContact CB-CB 4.39Å; L41-V48 HydrophobicContact CB-CG1 4.21Å; L41-V48 HydrophobicContact CB-CG2 4.41Å; L41-V48 HydrophobicContact CD1-CG2 4.16Å; L41-L69 HydrophobicContact CD1-CD1 3.57Å; L41-A162 HydrophobicContact CD2-CB 3.9Å; L41-L165 HydrophobicContact CD1-CD1 4.41Å; L41-L165 HydrophobicContact CD2-CD1 3.78Å |
| 42 | K | 89.5 | Confident | 88.6 | Confident | 121 Ų | 121 | 49.3 Ų | 49.3 | 53% | 0.526 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 176.6 | -172.6 | 179.8 | -177.9 | -179.7 | 0 | 111.8 | Y38 E39 K44 G45 V48 | Y38-K42 HydrophobicContact CE1-CD 4.16Å; Y38-K42 VanDerWaalsContact O-CB 3.27Å; Y38-K42 WeakPolarHBondContact O-CB 3.46Å; Y38-K42 PolarHBondContact O-N 3.21Å; E39-K42 PolarHBondContact O-N 2.88Å; K42-K44 PolarHBondContact O-N 3.24Å; K42-G45 PolarHBondContact O-N 3.07Å; K42-V48 HydrophobicContact CB-CG1 3.87Å |
| 43 | A | 86 | Confident | 89.4 | Confident | 90 Ų | 90 | 46.4 Ų | 46.4 | 74% | 0.744 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -62.9 | -27.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E39 S40 G45 | E39-A43 WeakPolarHBondContact O-CB 3.33Å; E39-A43 PolarHBondContact O-N 3.43Å; S40-A43 PolarHBondContact O-N 3.27Å; A43-G45 PolarHBondContact O-N 3.31Å |
| 44 | K | 85.8 | Confident | 89.5 | Confident | 61 Ų | 61 | 46.6 Ų | 46.6 | 27% | 0.265 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 7.6 | 171.9 | -64.8 | -171.5 | 173.8 | -151.7 | 0 | 114.2 | S40 L41 K42 L46 A162 N163 E166 | S40-K44 PolarHBondContact O-N 3.3Å; L41-K44 PolarHBondContact O-N 2.58Å; K42-K44 PolarHBondContact O-N 3.24Å; K44-L46 VanDerWaalsContact C-N 3.3Å; K44-L46 HydrophobicContact CB-CG 4.49Å; K44-L46 PolarHBondContact O-N 3.19Å; K44-A162 HydrophobicContact CD-CB 4.29Å; K44-A162 VanDerWaalsContact NZ-C 3.34Å; K44-A162 PolarHBondContact NZ-O 3.48Å; K44-A162 VanDerWaalsContact NZ-O 3.08Å; K44-N163 PolarHBondContact NZ-OD1 2.94Å; K44-E166 HydrophobicContact CD-CB 4.15Å; K44-E166 HydrophobicContact CD-CG 4.44Å; K44-E166 WeakPolarHBondContact CE-OE2 3.3Å; K44-E166 IonicContact NZ-OE2 3.7Å; K44-E166 PolarHBondContact NZ-OE2 2.66Å |
| 45 | G | 84.1 | Confident | 89.4 | Confident | 66 Ų | 66 | 49.1 Ų | 49.1 | 68% | 0.68 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 8.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | K42 A43 | K42-G45 PolarHBondContact O-N 3.07Å; A43-G45 PolarHBondContact O-N 3.31Å |
| 46 | L | 87 | Confident | 89.5 | Confident | 15 Ų | 15 | 48 Ų | 48 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | trans | -74.6 | 140.7 | 178.6 | -61 | 171.3 | 0 | 0 | 0 | 111 | I19 L41 K44 V48 L165 V169 | I19-L46 HydrophobicContact CD1-CB 4.29Å; I19-L46 HydrophobicContact CD1-CD1 4.14Å; L41-L46 HydrophobicContact CB-CD1 4.13Å; L41-L46 HydrophobicContact CD2-CD1 3.59Å; L41-L46 HydrophobicContact CG-CD1 4.43Å; L41-L46 WeakPolarHBondContact O-CB 3.25Å; L41-L46 PolarHBondContact O-N 2.83Å; K44-L46 VanDerWaalsContact C-N 3.3Å; K44-L46 HydrophobicContact CB-CG 4.49Å; K44-L46 PolarHBondContact O-N 3.19Å; L46-V48 PolarHBondContact O-N 2.93Å; L46-L165 HydrophobicContact CD1-CB 3.97Å; L46-V169 HydrophobicContact CD2-CB 4.1Å; L46-V169 HydrophobicContact CD2-CG1 4.42Å; L46-V169 HydrophobicContact CD2-CG2 3.46Å; L46-V169 VanDerWaalsContact CD2-CG2 3.46Å | ||
| 47 | T | 90 | Very high | 89.4 | Confident | 92 Ų | 92 | 45.5 Ų | 45.5 | 56% | 0.564 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 96.7 | 172.7 | -59.3 | 0 | 0 | 0 | 0 | 109.3 | S17 I19 | S17-T47 WeakPolarHBondContact O-CB 3.5Å; I19-T47 PolarHBondContact N-O 3.19Å |
| 48 | V | 93.5 | Very high | 89.1 | Confident | 15 Ų | 15 | 53.4 Ų | 53.4 | 9% | 0.091 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 145.6 | -175 | 64.6 | 0 | 0 | 0 | 0 | 111.7 | I19 V21 Y38 L41 K42 L46 | I19-V48 HydrophobicContact CB-CG2 4.29Å; I19-V48 HydrophobicContact CG2-CG2 4.24Å; I19-V48 CarbonylContact O-C 3.56Å; I19-V48 VanDerWaalsContact O-CA 3.29Å; I19-V48 WeakPolarHBondContact O-CA 3.27Å; V21-V48 HydrophobicContact CG2-CG2 3.61Å; Y38-V48 HydrophobicContact CD2-CB 4.31Å; Y38-V48 HydrophobicContact CD2-CG1 3.65Å; Y38-V48 HydrophobicContact CD2-CG2 3.91Å; Y38-V48 HydrophobicContact CE2-CG1 3.7Å; Y38-V48 WeakPolarHBondContact CE2-O 3.4Å; L41-V48 HydrophobicContact CB-CB 4.39Å; L41-V48 HydrophobicContact CB-CG1 4.21Å; L41-V48 HydrophobicContact CB-CG2 4.41Å; L41-V48 HydrophobicContact CD1-CG2 4.16Å; K42-V48 HydrophobicContact CB-CG1 3.87Å; L46-V48 PolarHBondContact O-N 2.93Å |
| 49 | R | 94.5 | Very high | 88.8 | Confident | 80 Ų | 80 | 57.1 Ų | 57.1 | 30% | 0.302 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 144.7 | 172.3 | -64.7 | -177.2 | -68.5 | 142 | 1.4 | 110 | N18 I19 L20 V21 E65 | N18-R49 PolarHBondContact OD1-NE 3.47Å; I19-R49 PolarHBondContact O-N 3.31Å; L20-R49 HydrophobicContact CD1-CB 4.07Å; V21-R49 PolarHBondContact N-O 3.05Å; R49-E65 IonicContact CZ-OE1 3.74Å; R49-E65 IonicContact NH1-OE1 3.76Å; R49-E65 IonicContact NH2-OE1 2.82Å; R49-E65 PolarHBondContact NH2-OE1 3.14Å; R49-E65 IonicContact NH2-OE2 2.74Å; R49-E65 PolarHBondContact NH2-OE2 3.44Å |
| 50 | L | 95.2 | Very high | 89 | Confident | 52 Ų | 52 | 51.5 Ų | 51.5 | 27% | 0.272 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 130.6 | 174.1 | -178.5 | 64.2 | 0 | 0 | 0 | 109.8 | V21 Y23 A34 Y38 | V21-L50 HydrophobicContact CB-CD1 3.99Å; V21-L50 HydrophobicContact CG1-CD1 3.81Å; V21-L50 WeakPolarHBondContact O-CA 3.21Å; Y23-L50 HydrophobicContact CD1-CD1 3.76Å; Y23-L50 HydrophobicContact CD1-CG 4.4Å; Y23-L50 HydrophobicContact CE1-CD1 4.01Å; Y23-L50 HydrophobicContact CE1-CG 4.15Å; A34-L50 HydrophobicContact CB-CD1 3.9Å; Y38-L50 HydrophobicContact CD2-CB 3.71Å; Y38-L50 HydrophobicContact CE2-CB 4.23Å; Y38-L50 HydrophobicContact CG-CB 3.89Å; Y38-L50 HydrophobicContact CG-CD2 4.4Å |
| 51 | S | 94.6 | Very high | 89.2 | Confident | 8 Ų | 8 | 52.7 Ų | 52.7 | 6% | 0.056 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 147.2 | 175.1 | -68.1 | 0 | 0 | 0 | 0 | 112.7 | V21 A22 Y23 | V21-S51 PolarHBondContact O-N 3.27Å; A22-S51 VanDerWaalsContact CA-O 3.29Å; A22-S51 WeakPolarHBondContact CA-O 3.3Å; Y23-S51 WeakPolarHBondContact CD1-O 3.5Å; Y23-S51 PolarHBondContact N-O 3.49Å |
| 52 | C | 91.5 | Very high | 89.3 | Confident | 8 Ų | 8 | 52.8 Ų | 52.8 | 5% | 0.054 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 141.2 | 170.3 | -178.8 | 0 | 0 | 0 | 0 | 109.2 | Y23 S54 Q55 | Y23-C52 HydrophobicContact CE1-CB 4.17Å; Y23-C52 HydrophobicContact CE2-CB 3.89Å; Y23-C52 CarbonylContact O-C 3.54Å; C52-S54 PolarHBondContact O-N 2.81Å; C52-S54 VanDerWaalsContact O-N 3.11Å; C52-S54 PolarHBondContact SG-OG 3.13Å; C52-Q55 HydrophobicContact CB-CG 4.16Å; C52-Q55 VanDerWaalsContact O-CB 3.28Å; C52-Q55 WeakPolarHBondContact O-CB 3.36Å; C52-Q55 PolarHBondContact O-N 2.95Å |
| 53 | L | 93 | Very high | 89.3 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -57.6 | -28 | 177.5 | -72.2 | -174.7 | 0 | 0 | 0 | 112.7 | A22 Y23 A24 Q55 S56 F60 F70 V72 T83 F87 | A22-L53 HydrophobicContact CB-CD2 3.65Å; A22-L53 HydrophobicContact CB-CG 4.5Å; Y23-L53 WeakPolarHBondContact O-CG 3.34Å; Y23-L53 PolarHBondContact O-N 2.95Å; A24-L53 HydrophobicContact CB-CB 4.25Å; A24-L53 HydrophobicContact CB-CD1 3.65Å; A24-L53 HydrophobicContact CB-CG 4.15Å; L53-Q55 PolarHBondContact O-N 3.33Å; L53-Q55 VanDerWaalsContact O-N 3.11Å; L53-S56 WeakPolarHBondContact O-CB 3.3Å; L53-S56 PolarHBondContact O-N 3.01Å; L53-S56 VanDerWaalsContact O-N 3.11Å; L53-F60 HydrophobicContact CD2-CZ 4.13Å; L53-F70 HydrophobicContact CD1-CD1 4.4Å; L53-F70 HydrophobicContact CD2-CD1 4.01Å; L53-F70 HydrophobicContact CD2-CE1 3.82Å; L53-V72 HydrophobicContact CD1-CG2 3.9Å; L53-T83 CarbonylContact C-O 3.56Å; L53-F87 HydrophobicContact CB-CB 3.91Å; L53-F87 HydrophobicContact CB-CD1 4.48Å; L53-F87 HydrophobicContact CB-CG 4.15Å; L53-F87 HydrophobicContact CD1-CB 4.49Å; L53-F87 HydrophobicContact CD1-CD1 3.7Å; L53-F87 HydrophobicContact CD1-CE1 4.16Å; L53-F87 HydrophobicContact CD1-CG 4.22Å; L53-F87 HydrophobicContact CD2-CD1 3.84Å; L53-F87 HydrophobicContact CD2-CD2 4.08Å; L53-F87 HydrophobicContact CD2-CE1 3.89Å; L53-F87 HydrophobicContact CD2-CE2 4.15Å; L53-F87 HydrophobicContact CD2-CG 3.91Å; L53-F87 HydrophobicContact CD2-CZ 4.06Å; L53-F87 HydrophobicContact CG-CD1 4.24Å; L53-F87 HydrophobicContact CG-CG 4.33Å |
| 54 | S | 86 | Confident | 89.4 | Confident | 21 Ų | 21 | 55.4 Ų | 55.4 | 15% | 0.147 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -65.1 | -9.8 | 173.3 | 72.5 | 0 | 0 | 0 | 0 | 114.6 | C52 T83 | C52-S54 PolarHBondContact O-N 2.81Å; C52-S54 VanDerWaalsContact O-N 3.11Å; C52-S54 PolarHBondContact SG-OG 3.13Å; S54-T83 WeakPolarHBondContact CA-O 3.46Å; S54-T83 WeakPolarHBondContact CB-O 3.4Å; S54-T83 PolarHBondContact N-O 2.93Å |
| 55 | Q | 88.3 | Confident | 89.7 | Confident | 52 Ų | 52 | 53.3 Ų | 53.3 | 24% | 0.243 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -97.2 | 2.6 | 177.2 | -60.5 | 170.7 | -31 | 0 | 0 | 112.8 | C52 L53 K58 K59 | C52-Q55 HydrophobicContact CB-CG 4.16Å; C52-Q55 VanDerWaalsContact O-CB 3.28Å; C52-Q55 WeakPolarHBondContact O-CB 3.36Å; C52-Q55 PolarHBondContact O-N 2.95Å; L53-Q55 PolarHBondContact O-N 3.33Å; L53-Q55 VanDerWaalsContact O-N 3.11Å; Q55-K58 PolarHBondContact O-N 2.84Å; Q55-K59 HydrophobicContact CB-CB 4.13Å; Q55-K59 HydrophobicContact CB-CD 4.42Å; Q55-K59 HydrophobicContact CB-CG 4.2Å; Q55-K59 HydrophobicContact CG-CD 4.47Å; Q55-K59 PolarHBondContact O-N 2.86Å |
| 56 | S | 87.7 | Confident | 90 | Very high | 11 Ų | 11 | 52.2 Ų | 52.2 | 8% | 0.077 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -60.8 | 136.1 | 172.8 | -160.8 | 0 | 0 | 0 | 0 | 111.1 | L53 K58 F60 Q90 | L53-S56 WeakPolarHBondContact O-CB 3.3Å; L53-S56 PolarHBondContact O-N 3.01Å; L53-S56 VanDerWaalsContact O-N 3.11Å; S56-K58 VanDerWaalsContact C-N 3.27Å; S56-F60 VanDerWaalsContact CB-CZ 3.47Å; S56-F60 WeakPolarHBondContact OG-CE2 3.48Å; S56-Q90 PolarHBondContact OG-OE1 3.12Å |
| 57 | G | 83.4 | Confident | 90.3 | Very high | 39 Ų | 39 | 51.5 Ų | 51.5 | 40% | 0.402 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | -1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | F60 | G57-F60 PolarHBondContact N-O 3.09Š|
| 58 | K | 83.3 | Confident | 90.6 | Very high | 166 Ų | 166 | 47.1 Ų | 47.1 | 72% | 0.722 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -122.2 | -67.5 | 175 | -61.4 | -173.4 | -178.9 | -168.7 | 0 | 111.6 | Q55 S56 | Q55-K58 PolarHBondContact O-N 2.84Å; S56-K58 VanDerWaalsContact C-N 3.27Å |
| 59 | K | 86.1 | Confident | 90.8 | Very high | 134 Ų | 134 | 46.4 Ų | 46.4 | 58% | 0.583 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85 | -28.3 | -179.2 | -70.8 | -161.7 | 179.7 | -176 | 0 | 113 | Q55 | Q55-K59 HydrophobicContact CB-CB 4.13Å; Q55-K59 HydrophobicContact CB-CD 4.42Å; Q55-K59 HydrophobicContact CB-CG 4.2Å; Q55-K59 HydrophobicContact CG-CD 4.47Å; Q55-K59 PolarHBondContact O-N 2.86Å |
| 60 | F | 91 | Very high | 91 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 1% | 0.013 | 21% | 0.214 | C | C | . | . | B | Isolated β-bridge | trans | -146.6 | 157.7 | 178.3 | 75.8 | -86.5 | 0 | 0 | 0 | 110.2 | L20 L53 S56 G57 E65 F87 | L20-F60 HydrophobicContact CD2-CB 3.91Å; L20-F60 HydrophobicContact CD2-CD1 4.19Å; L20-F60 HydrophobicContact CD2-CD2 3.39Å; L20-F60 HydrophobicContact CD2-CE2 3.87Å; L20-F60 HydrophobicContact CD2-CG 3.57Å; L20-F60 HydrophobicContact CD2-CZ 4.44Å; L53-F60 HydrophobicContact CD2-CZ 4.13Å; S56-F60 VanDerWaalsContact CB-CZ 3.47Å; S56-F60 WeakPolarHBondContact OG-CE2 3.48Å; G57-F60 PolarHBondContact N-O 3.09Å; F60-E65 HydrophobicContact CD2-CG 4.46Å; F60-F87 HydrophobicContact CE2-CE2 4.28Å; F60-F87 HydrophobicContact CZ-CE2 4.46Å |
| 61 | H | 91.5 | Very high | 91.1 | Very high | 72 Ų | 72 | 40.1 Ų | 40.1 | 33% | 0.333 | 20% | 0.201 | S | C | . | . | trans | -130.6 | 114.1 | 179.7 | -73.7 | 79.1 | 0 | 0 | 0 | 107.2 | E63 K64 | H61-E63 VanDerWaalsContact C-OE2 3.32Å; H61-E63 WeakPolarHBondContact CB-OE2 3.33Å; H61-E63 PolarHBondContact O-N 2.99Å; H61-K64 HydrophobicContact CB-CD 4.18Å; H61-K64 HydrophobicContact CB-CG 4.24Å; H61-K64 PolarHBondContact O-N 3.36Å | ||
| 62 | I | 92.3 | Very high | 91.2 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.015 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -59.4 | -25.7 | -167.8 | -167.6 | 59.1 | 0 | 0 | 0 | 113.2 | K64 E65 V68 F70 F87 L91 L101 L104 | I62-K64 VanDerWaalsContact C-N 3.25Å; I62-K64 PolarHBondContact O-N 3.38Å; I62-E65 PolarHBondContact O-N 3.33Å; I62-V68 HydrophobicContact CD1-CG2 3.84Å; I62-F70 HydrophobicContact CD1-CZ 4.06Å; I62-F87 HydrophobicContact CB-CE2 4.27Å; I62-F87 HydrophobicContact CD1-CE2 4.42Å; I62-F87 HydrophobicContact CD1-CZ 4.26Å; I62-F87 HydrophobicContact CG1-CE2 4.25Å; I62-F87 HydrophobicContact CG1-CZ 4.26Å; I62-L91 HydrophobicContact CG2-CD2 4.46Å; I62-L101 HydrophobicContact CG1-CD1 4.25Å; I62-L101 HydrophobicContact CG2-CD2 4.39Å; I62-L104 HydrophobicContact CD1-CD1 4.25Å; I62-L104 HydrophobicContact CD1-CD2 3.79Å; I62-L104 HydrophobicContact CG1-CD2 3.94Å |
| 63 | E | 89.6 | Confident | 91.2 | Very high | 96 Ų | 96 | 40 Ų | 40 | 45% | 0.449 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -73.4 | -18.1 | 179.2 | -41.4 | 84.5 | 170.7 | 0 | 0 | 112.9 | H61 K94 L101 | H61-E63 VanDerWaalsContact C-OE2 3.32Å; H61-E63 WeakPolarHBondContact CB-OE2 3.33Å; H61-E63 PolarHBondContact O-N 2.99Å; E63-K94 WeakPolarHBondContact OE1-CE 3.49Å; E63-K94 IonicContact OE1-NZ 2.9Å; E63-K94 PolarHBondContact OE1-NZ 2.64Å; E63-L101 HydrophobicContact CB-CD2 4.48Å; E63-L101 HydrophobicContact CG-CD2 4.32Å |
| 64 | K | 89.4 | Confident | 90.9 | Very high | 170 Ų | 170 | 41.3 Ų | 41.3 | 74% | 0.739 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -98.6 | -7.9 | 178.8 | -61 | -176 | 179.7 | 178.7 | 0 | 112.8 | H61 I62 | H61-K64 HydrophobicContact CB-CD 4.18Å; H61-K64 HydrophobicContact CB-CG 4.24Å; H61-K64 PolarHBondContact O-N 3.36Å; I62-K64 VanDerWaalsContact C-N 3.25Å; I62-K64 PolarHBondContact O-N 3.38Å |
| 65 | E | 91.6 | Very high | 90.6 | Very high | 16 Ų | 16 | 41.2 Ų | 41.2 | 8% | 0.075 | 21% | 0.207 | C | C | . | . | trans | -90.7 | 131.2 | -177.4 | -55.7 | -59 | 161.9 | 0 | 0 | 110.2 | L20 R49 F60 I62 V68 L104 | L20-E65 HydrophobicContact CD2-CG 3.95Å; R49-E65 IonicContact CZ-OE1 3.74Å; R49-E65 IonicContact NH1-OE1 3.76Å; R49-E65 IonicContact NH2-OE1 2.82Å; R49-E65 PolarHBondContact NH2-OE1 3.14Å; R49-E65 IonicContact NH2-OE2 2.74Å; R49-E65 PolarHBondContact NH2-OE2 3.44Å; F60-E65 HydrophobicContact CD2-CG 4.46Å; I62-E65 PolarHBondContact O-N 3.33Å; E65-V68 HydrophobicContact CB-CG2 3.63Å; E65-V68 HydrophobicContact CG-CG2 4.19Å; E65-L104 HydrophobicContact CB-CD1 4.4Å | ||
| 66 | S | 90 | Very high | 90 | Very high | 44 Ų | 44 | 41 Ų | 41 | 31% | 0.308 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -95.2 | -22.5 | 176.5 | 56.3 | 0 | 0 | 0 | 0 | 113.1 | N105 | S66-N105 WeakPolarHBondContact O-CB 3.41Å; S66-N105 PolarHBondContact O-N 3.01Å; S66-N105 PolarHBondContact O-ND2 3.45Å |
| 67 | C | 93.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 121.1 | 178.7 | -174.2 | 0 | 0 | 0 | 0 | 111.6 | V15 I19 L20 N105 | V15-C67 HydrophobicContact CG1-CB 3.58Å; V15-C67 WeakPolarHBondContact CG1-SG 3.3Å; I19-C67 HydrophobicContact CG1-CB 4.46Å; L20-C67 PolarHBondContact N-O 3.4Å; C67-N105 VanDerWaalsContact CA-O 3.3Å; C67-N105 WeakPolarHBondContact CA-O 3.27Å |
| 68 | V | 96.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 127.7 | 177.4 | -174.9 | 0 | 0 | 0 | 0 | 111.6 | L20 A22 I62 E65 F70 L104 N105 Y106 A107 | L20-V68 HydrophobicContact CB-CG2 4.21Å; L20-V68 HydrophobicContact CD2-CG1 4.43Å; L20-V68 HydrophobicContact CD2-CG2 4.23Å; L20-V68 HydrophobicContact CG-CG1 4.5Å; L20-V68 CarbonylContact O-C 3.47Å; L20-V68 VanDerWaalsContact O-CA 3.29Å; L20-V68 WeakPolarHBondContact O-CA 3.27Å; A22-V68 HydrophobicContact CB-CG1 3.77Å; I62-V68 HydrophobicContact CD1-CG2 3.84Å; E65-V68 HydrophobicContact CB-CG2 3.63Å; E65-V68 HydrophobicContact CG-CG2 4.19Å; V68-F70 HydrophobicContact CB-CD2 4.4Å; V68-F70 HydrophobicContact CB-CE2 3.83Å; V68-F70 HydrophobicContact CB-CZ 3.99Å; V68-F70 HydrophobicContact CG1-CD1 4.03Å; V68-F70 HydrophobicContact CG1-CD2 3.94Å; V68-F70 HydrophobicContact CG1-CE1 3.66Å; V68-F70 HydrophobicContact CG1-CE2 3.57Å; V68-F70 HydrophobicContact CG1-CG 4.17Å; V68-F70 HydrophobicContact CG1-CZ 3.42Å; V68-F70 VanDerWaalsContact CG1-CZ 3.42Å; V68-L104 HydrophobicContact CB-CD1 4.02Å; V68-L104 HydrophobicContact CG2-CD1 3.48Å; V68-L104 VanDerWaalsContact CG2-CD1 3.48Å; V68-N105 PolarHBondContact N-O 2.92Å; V68-Y106 WeakPolarHBondContact O-CA 3.49Å; V68-Y106 WeakPolarHBondContact O-CB 3.25Å; V68-A107 PolarHBondContact O-N 2.84Å; V68-A107 VanDerWaalsContact O-N 3.11Å |
| 69 | L | 97.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 111 | 171.7 | -44.9 | -172.4 | 0 | 0 | 0 | 108.5 | I19 L20 V21 A22 L37 L41 A107 F138 I161 L165 | I19-L69 HydrophobicContact CG2-CD1 3.94Å; I19-L69 HydrophobicContact CG2-CD2 4.44Å; I19-L69 HydrophobicContact CG2-CG 3.82Å; L20-L69 PolarHBondContact O-N 2.88Å; V21-L69 HydrophobicContact CG2-CB 4.43Å; V21-L69 HydrophobicContact CG2-CD1 4.2Å; A22-L69 PolarHBondContact N-O 3.01Å; L37-L69 HydrophobicContact CD2-CB 4.31Å; L37-L69 HydrophobicContact CD2-CD1 3.9Å; L37-L69 HydrophobicContact CG-CD1 4.4Å; L41-L69 HydrophobicContact CD1-CD1 3.57Å; L69-A107 HydrophobicContact CD2-CB 3.99Å; L69-F138 HydrophobicContact CD2-CE1 4.03Å; L69-F138 HydrophobicContact CD2-CZ 3.57Å; L69-I161 HydrophobicContact CD1-CD1 4.33Å; L69-I161 HydrophobicContact CD2-CD1 3.78Å; L69-L165 HydrophobicContact CD1-CD1 3.95Å; L69-L165 HydrophobicContact CD2-CD1 4.42Å |
| 70 | F | 98.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 129.5 | -178.7 | -69.1 | -77.6 | 0 | 0 | 0 | 111.3 | A22 L53 I62 V68 V72 F87 Y106 A107 L108 L109 L126 L130 | A22-F70 HydrophobicContact CB-CD1 4.11Å; A22-F70 HydrophobicContact CB-CE1 4.24Å; A22-F70 CarbonylContact O-C 3.53Å; A22-F70 VanDerWaalsContact O-CA 3.31Å; A22-F70 WeakPolarHBondContact O-CA 3.31Å; L53-F70 HydrophobicContact CD1-CD1 4.4Å; L53-F70 HydrophobicContact CD2-CD1 4.01Å; L53-F70 HydrophobicContact CD2-CE1 3.82Å; I62-F70 HydrophobicContact CD1-CZ 4.06Å; V68-F70 HydrophobicContact CB-CD2 4.4Å; V68-F70 HydrophobicContact CB-CE2 3.83Å; V68-F70 HydrophobicContact CB-CZ 3.99Å; V68-F70 HydrophobicContact CG1-CD1 4.03Å; V68-F70 HydrophobicContact CG1-CD2 3.94Å; V68-F70 HydrophobicContact CG1-CE1 3.66Å; V68-F70 HydrophobicContact CG1-CE2 3.57Å; V68-F70 HydrophobicContact CG1-CG 4.17Å; V68-F70 HydrophobicContact CG1-CZ 3.42Å; V68-F70 VanDerWaalsContact CG1-CZ 3.42Å; F70-V72 HydrophobicContact CB-CG2 4.26Å; F70-F87 HydrophobicContact CD1-CE1 4.43Å; F70-F87 AromaticContact CE1-CE1 3.6Å; F70-F87 HydrophobicContact CE1-CE1 3.6Å; F70-F87 AromaticContact CE1-CZ 3.54Å; F70-F87 HydrophobicContact CE1-CZ 3.54Å; F70-F87 HydrophobicContact CZ-CE1 4.16Å; F70-F87 AromaticContact CZ-CZ 3.84Å; F70-F87 HydrophobicContact CZ-CZ 3.84Å; F70-Y106 HydrophobicContact CD2-CD2 4.33Å; F70-Y106 HydrophobicContact CD2-CG 4.49Å; F70-Y106 HydrophobicContact CE2-CG 4.43Å; F70-A107 PolarHBondContact N-O 2.68Å; F70-L108 HydrophobicContact CB-CB 4.46Å; F70-L108 HydrophobicContact CB-CD1 3.47Å; F70-L108 VanDerWaalsContact CB-CD1 3.47Å; F70-L109 PolarHBondContact O-N 3.09Å; F70-L126 HydrophobicContact CB-CD2 4.23Å; F70-L126 HydrophobicContact CD1-CD2 3.99Å; F70-L126 HydrophobicContact CG-CD2 4.06Å; F70-L130 HydrophobicContact CD2-CD1 3.98Å; F70-L130 HydrophobicContact CE2-CD1 3.69Å; F70-L130 HydrophobicContact CE2-CD2 4.21Å; F70-L130 HydrophobicContact CZ-CD1 4.35Å; F70-L130 HydrophobicContact CZ-CD2 4.31Å |
| 71 | V | 97.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 103.4 | 169.4 | -172.2 | 0 | 0 | 0 | 0 | 108.9 | A22 Y23 A24 A30 I33 A34 L109 L111 | A22-V71 PolarHBondContact O-N 3.12Å; Y23-V71 CarbonylContact C-O 3.53Å; Y23-V71 WeakPolarHBondContact CA-O 3.49Å; Y23-V71 WeakPolarHBondContact CB-O 3.38Å; A24-V71 PolarHBondContact N-O 2.9Å; A30-V71 HydrophobicContact CB-CG1 4.01Å; A30-V71 WeakPolarHBondContact O-CG1 3.11Å; I33-V71 HydrophobicContact CB-CG1 4.17Å; I33-V71 HydrophobicContact CG2-CG1 4Å; A34-V71 HydrophobicContact CB-CB 4.17Å; A34-V71 HydrophobicContact CB-CG2 4.1Å; V71-L109 WeakPolarHBondContact CA-O 3.43Å; V71-L109 HydrophobicContact CG1-CD2 4.38Å; V71-L111 HydrophobicContact CG1-CD1 3.95Å |
| 72 | V | 96.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 126.5 | -166.4 | -180 | 0 | 0 | 0 | 0 | 111 | A24 L53 F70 F88 L108 L109 G110 L111 S122 P123 L126 | A24-V72 HydrophobicContact CB-CG1 4.13Å; A24-V72 HydrophobicContact CB-CG2 4.29Å; L53-V72 HydrophobicContact CD1-CG2 3.9Å; F70-V72 HydrophobicContact CB-CG2 4.26Å; V72-F88 HydrophobicContact CG1-CE2 4.14Å; V72-F88 HydrophobicContact CG1-CZ 4.18Å; V72-L108 HydrophobicContact CB-CD1 4.46Å; V72-L108 HydrophobicContact CG2-CD1 4.28Å; V72-L109 PolarHBondContact N-O 3.19Å; V72-G110 CarbonylContact O-C 3.58Å; V72-G110 WeakPolarHBondContact O-CA 3.28Å; V72-L111 PolarHBondContact O-N 3.4Å; V72-S122 WeakPolarHBondContact CG1-OG 3.39Å; V72-P123 HydrophobicContact CB-CG 4.26Å; V72-P123 HydrophobicContact CG1-CG 4.26Å; V72-P123 WeakPolarHBondContact O-CG 3.37Å; V72-L126 HydrophobicContact CG2-CD2 3.71Å |
| 73 | S | 91.5 | Very high | 87.6 | Confident | 13 Ų | 13 | 33.8 Ų | 33.8 | 9% | 0.091 | 19% | 0.189 | C | C | . | . | trans | -86.6 | 167.6 | 172.4 | 55.9 | 0 | 0 | 0 | 0 | 113 | A24 S25 P81 L111 S122 | A24-S73 PolarHBondContact O-N 3.3Å; A24-S73 PolarHBondContact O-OG 3.36Å; S25-S73 WeakPolarHBondContact CA-OG 3.41Å; S73-P81 WeakPolarHBondContact O-CD 3.45Å; S73-P81 WeakPolarHBondContact OG-CG 3.4Å; S73-L111 CarbonylContact C-O 3.52Å; S73-S122 WeakPolarHBondContact O-CB 3.38Å; S73-S122 PolarHBondContact O-OG 2.9Å | ||
| 74 | T | 87.7 | Confident | 87.4 | Confident | 28 Ų | 28 | 29.2 Ų | 29.2 | 17% | 0.172 | 17% | 0.168 | C | C | . | . | trans | -114.5 | 140.2 | 171 | -53.9 | 0 | 0 | 0 | 0 | 108.4 | G78 D79 L111 C120 P123 | T74-G78 VanDerWaalsContact CG2-CA 3.41Å; T74-D79 CarbonylContact C-O 3.6Å; T74-D79 WeakPolarHBondContact CA-O 3.29Å; T74-L111 WeakPolarHBondContact CB-O 3.45Å; T74-L111 PolarHBondContact N-O 2.76Å; T74-L111 PolarHBondContact OG1-O 2.66Å; T74-C120 WeakPolarHBondContact OG1-CA 3.41Å; T74-P123 WeakPolarHBondContact OG1-CD 3.48Å | ||
| 75 | T | 78.5 | Confident | 87 | Confident | 19 Ų | 19 | 23 Ų | 23 | 12% | 0.117 | 14% | 0.141 | C | C | . | . | B | Isolated β-bridge | trans | -118.7 | 150.4 | 174.3 | 56.5 | 0 | 0 | 0 | 0 | 110.2 | Q26 D77 G78 D79 P80 P81 | Q26-T75 HydrophobicContact CB-CG2 3.5Å; Q26-T75 VanDerWaalsContact CB-CG2 3.5Å; Q26-T75 HydrophobicContact CG-CG2 3.72Å; T75-D77 PolarHBondContact O-N 2.7Å; T75-G78 PolarHBondContact O-N 3.17Å; T75-D79 PolarHBondContact N-O 2.88Å; T75-D79 PolarHBondContact O-N 3.41Å; T75-D79 PolarHBondContact OG1-O 2.81Å; T75-P80 PolarHBondContact OG1-O 3.27Å; T75-P81 HydrophobicContact CG2-CB 3.77Å |
| 76 | G | 75.9 | Confident | 86.5 | Confident | 48 Ų | 48 | 23.1 Ų | 23.1 | 50% | 0.495 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | -136.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G78 | G76-G78 PolarHBondContact O-N 2.84Š|
| 77 | D | 75.8 | Confident | 86.5 | Confident | 75 Ų | 75 | 21.1 Ų | 21.1 | 40% | 0.401 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 54.5 | 179.3 | -162.8 | 13.9 | 0 | 0 | 0 | 112.2 | T75 N117 T118 | T75-D77 PolarHBondContact O-N 2.7Å; D77-N117 WeakPolarHBondContact OD1-CB 3.48Å; D77-N117 PolarHBondContact OD1-N 3.45Å; D77-N117 PolarHBondContact OD2-ND2 3.19Å; D77-T118 WeakPolarHBondContact O-CB 3.48Å; D77-T118 PolarHBondContact O-OG1 3.33Å; D77-T118 WeakPolarHBondContact OD1-CB 3.41Å; D77-T118 PolarHBondContact OD1-N 2.76Å; D77-T118 PolarHBondContact OD1-OG1 2.66Å |
| 78 | G | 82.2 | Confident | 86.4 | Confident | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 106.7 | 12 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | T74 T75 G76 G121 S122 R125 | T74-G78 VanDerWaalsContact CG2-CA 3.41Å; T75-G78 PolarHBondContact O-N 3.17Å; G76-G78 PolarHBondContact O-N 2.84Å; G78-G121 CarbonylContact O-C 3.5Å; G78-S122 PolarHBondContact O-N 3.13Å; G78-R125 PolarHBondContact O-NH1 3.22Å |
| 79 | D | 83.8 | Confident | 85.8 | Confident | 90 Ų | 90 | 21.7 Ų | 21.7 | 48% | 0.481 | 13% | 0.131 | S | C | . | . | B | Isolated β-bridge | trans | -86.1 | 154.8 | -179.9 | -72.2 | -42.6 | 0 | 0 | 0 | 112.1 | T74 T75 S122 | T74-D79 CarbonylContact C-O 3.6Å; T74-D79 WeakPolarHBondContact CA-O 3.29Å; T75-D79 PolarHBondContact N-O 2.88Å; T75-D79 PolarHBondContact O-N 3.41Å; T75-D79 PolarHBondContact OG1-O 2.81Å; D79-S122 WeakPolarHBondContact O-CB 3.44Å |
| 80 | P | 85.8 | Confident | 85.4 | Confident | 16 Ų | 16 | 24.4 Ų | 24.4 | 10% | 0.104 | 14% | 0.144 | C | C | . | . | P | Polyproline II helix | trans | -73.5 | 148.4 | 171.3 | 31.5 | -34 | 0 | 0 | 0 | 110.7 | T75 F88 S122 | T75-P80 PolarHBondContact OG1-O 3.27Å; P80-F88 HydrophobicContact CB-CD2 3.72Å; P80-F88 HydrophobicContact CB-CE2 3.66Å; P80-F88 HydrophobicContact CB-CG 4.25Å; P80-F88 HydrophobicContact CB-CZ 4.12Å; P80-F88 HydrophobicContact CG-CD2 4.3Å; P80-F88 HydrophobicContact CG-CG 4.4Å; P80-S122 WeakPolarHBondContact CA-OG 3.49Å |
| 81 | P | 81.1 | Confident | 85 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | P | Polyproline II helix | trans | -62.7 | 160.1 | 172.6 | 31 | -40.1 | 0 | 0 | 0 | 110.7 | A24 Q26 S73 T75 T83 G84 H85 | A24-P81 HydrophobicContact CB-CG 3.67Å; Q26-P81 HydrophobicContact CB-CB 3.98Å; S73-P81 WeakPolarHBondContact O-CD 3.45Å; S73-P81 WeakPolarHBondContact OG-CG 3.4Å; T75-P81 HydrophobicContact CG2-CB 3.77Å; P81-T83 PolarHBondContact O-N 3.28Å; P81-T83 VanDerWaalsContact O-N 3.12Å; P81-G84 WeakPolarHBondContact O-CA 3.22Å; P81-G84 PolarHBondContact O-N 2.77Å; P81-H85 PolarHBondContact O-N 3.07Å |
| 82 | D | 75.3 | Confident | 84.7 | Confident | 55 Ų | 55 | 28.8 Ų | 28.8 | 29% | 0.294 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -57.6 | -35.2 | -177.4 | -62.7 | -31.9 | 0 | 0 | 0 | 111.8 | Q26 G84 | Q26-D82 PolarHBondContact NE2-OD2 3.43Å; Q26-D82 PolarHBondContact OE1-OD2 2.73Å; D82-G84 PolarHBondContact O-N 3.44Å |
| 83 | T | 82.2 | Confident | 84.2 | Confident | 39 Ų | 39 | 33.1 Ų | 33.1 | 24% | 0.239 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.4 | -13 | 176.8 | 57.5 | 0 | 0 | 0 | 0 | 114.2 | S25 L53 S54 P81 | S25-T83 PolarHBondContact N-OG1 3.5Å; S25-T83 WeakPolarHBondContact O-CG2 3.37Å; S25-T83 PolarHBondContact O-OG1 3.28Å; L53-T83 CarbonylContact C-O 3.56Å; S54-T83 WeakPolarHBondContact CA-O 3.46Å; S54-T83 WeakPolarHBondContact CB-O 3.4Å; S54-T83 PolarHBondContact N-O 2.93Å; P81-T83 PolarHBondContact O-N 3.28Å; P81-T83 VanDerWaalsContact O-N 3.12Å |
| 84 | G | 84.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -108.9 | -25 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | P81 D82 L86 F87 F88 | P81-G84 WeakPolarHBondContact O-CA 3.22Å; P81-G84 PolarHBondContact O-N 2.77Å; D82-G84 PolarHBondContact O-N 3.44Å; G84-L86 VanDerWaalsContact C-N 3.28Å; G84-L86 PolarHBondContact O-N 2.94Å; G84-L86 VanDerWaalsContact O-N 3.07Å; G84-F87 WeakPolarHBondContact O-CB 3.43Å; G84-F87 PolarHBondContact O-N 3.35Å; G84-F88 WeakPolarHBondContact O-CD2 3.46Å; G84-F88 PolarHBondContact O-N 2.63Å |
| 85 | H | 81.7 | Confident | 84 | Confident | 39 Ų | 39 | 33.7 Ų | 33.7 | 18% | 0.181 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -48.7 | -43.7 | -170.7 | -178.1 | -88.6 | 0 | 0 | 0 | 114.4 | P81 F87 F88 T89 Q679 | P81-H85 PolarHBondContact O-N 3.07Å; H85-F87 PolarHBondContact O-N 3.13Å; H85-F88 PolarHBondContact O-N 2.92Å; H85-T89 PolarHBondContact O-N 3.38Å; H85-T89 VanDerWaalsContact O-N 3.14Å; H85-T89 PolarHBondContact O-OG1 3.14Å; H85-T89 VanDerWaalsContact O-OG1 3.08Å; H85-Q679 VanDerWaalsContact CE1-CB 3.42Å; H85-Q679 WeakPolarHBondContact CE1-CB 3.27Å; H85-Q679 PolarHBondContact CE1-OE1 2.99Å; H85-Q679 PolarHBondContact NE2-OE1 2.96Å |
| 86 | L | 80.3 | Confident | 84.3 | Confident | 19 Ų | 19 | 38.8 Ų | 38.8 | 10% | 0.099 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.9 | -42.7 | -178.9 | -29.6 | -179.1 | 0 | 0 | 0 | 111.6 | G84 T89 Q90 Q679 A680 K682 | G84-L86 VanDerWaalsContact C-N 3.28Å; G84-L86 PolarHBondContact O-N 2.94Å; G84-L86 VanDerWaalsContact O-N 3.07Å; L86-T89 WeakPolarHBondContact O-CB 3.28Å; L86-T89 PolarHBondContact O-N 3.17Å; L86-T89 VanDerWaalsContact O-N 3.16Å; L86-Q90 WeakPolarHBondContact O-CG 3.34Å; L86-Q90 PolarHBondContact O-N 3.45Å; L86-Q679 WeakPolarHBondContact CD2-O 3.28Å; L86-A680 HydrophobicContact CB-CB 4.29Å; L86-A680 WeakPolarHBondContact CB-O 3.33Å; L86-A680 WeakPolarHBondContact CD1-O 3.32Å; L86-A680 HydrophobicContact CD2-CB 4.47Å; L86-A680 WeakPolarHBondContact CD2-O 3.33Å; L86-K682 HydrophobicContact CD1-CD 4.42Å; L86-K682 HydrophobicContact CD1-CG 3.91Å |
| 87 | F | 91.1 | Very high | 84.8 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.4 | -43.7 | -178.7 | 180 | -102.2 | 0 | 0 | 0 | 111.3 | L53 F60 I62 F70 G84 H85 T89 Q90 L91 L126 | L53-F87 HydrophobicContact CB-CB 3.91Å; L53-F87 HydrophobicContact CB-CD1 4.48Å; L53-F87 HydrophobicContact CB-CG 4.15Å; L53-F87 HydrophobicContact CD1-CB 4.49Å; L53-F87 HydrophobicContact CD1-CD1 3.7Å; L53-F87 HydrophobicContact CD1-CE1 4.16Å; L53-F87 HydrophobicContact CD1-CG 4.22Å; L53-F87 HydrophobicContact CD2-CD1 3.84Å; L53-F87 HydrophobicContact CD2-CD2 4.08Å; L53-F87 HydrophobicContact CD2-CE1 3.89Å; L53-F87 HydrophobicContact CD2-CE2 4.15Å; L53-F87 HydrophobicContact CD2-CG 3.91Å; L53-F87 HydrophobicContact CD2-CZ 4.06Å; L53-F87 HydrophobicContact CG-CD1 4.24Å; L53-F87 HydrophobicContact CG-CG 4.33Å; F60-F87 HydrophobicContact CE2-CE2 4.28Å; F60-F87 HydrophobicContact CZ-CE2 4.46Å; I62-F87 HydrophobicContact CB-CE2 4.27Å; I62-F87 HydrophobicContact CD1-CE2 4.42Å; I62-F87 HydrophobicContact CD1-CZ 4.26Å; I62-F87 HydrophobicContact CG1-CE2 4.25Å; I62-F87 HydrophobicContact CG1-CZ 4.26Å; F70-F87 HydrophobicContact CD1-CE1 4.43Å; F70-F87 AromaticContact CE1-CE1 3.6Å; F70-F87 HydrophobicContact CE1-CE1 3.6Å; F70-F87 AromaticContact CE1-CZ 3.54Å; F70-F87 HydrophobicContact CE1-CZ 3.54Å; F70-F87 HydrophobicContact CZ-CE1 4.16Å; F70-F87 AromaticContact CZ-CZ 3.84Å; F70-F87 HydrophobicContact CZ-CZ 3.84Å; G84-F87 WeakPolarHBondContact O-CB 3.43Å; G84-F87 PolarHBondContact O-N 3.35Å; H85-F87 PolarHBondContact O-N 3.13Å; F87-T89 VanDerWaalsContact C-N 3.26Å; F87-T89 PolarHBondContact O-N 3.04Å; F87-Q90 WeakPolarHBondContact O-CB 3.18Å; F87-Q90 PolarHBondContact O-N 3.31Å; F87-L91 HydrophobicContact CD1-CD1 4.01Å; F87-L91 HydrophobicContact CD1-CG 4.41Å; F87-L91 HydrophobicContact CE1-CD1 3.43Å; F87-L91 VanDerWaalsContact CE1-CD1 3.43Å; F87-L91 HydrophobicContact CE1-CG 4.07Å; F87-L91 HydrophobicContact CE2-CG 4.49Å; F87-L91 HydrophobicContact CZ-CD1 3.78Å; F87-L91 HydrophobicContact CZ-CD2 4.24Å; F87-L91 HydrophobicContact CZ-CG 4.09Å; F87-L91 PolarHBondContact O-N 2.97Å; F87-L126 HydrophobicContact CD1-CD1 4.33Å; F87-L126 HydrophobicContact CE1-CD1 3.75Å |
| 88 | F | 90.3 | Very high | 85.2 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 1% | 0.013 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.9 | -41.1 | 172.5 | -83 | -99.6 | 0 | 0 | 0 | 112 | V72 P80 G84 H85 L91 K92 S122 R125 L126 L129 | V72-F88 HydrophobicContact CG1-CE2 4.14Å; V72-F88 HydrophobicContact CG1-CZ 4.18Å; P80-F88 HydrophobicContact CB-CD2 3.72Å; P80-F88 HydrophobicContact CB-CE2 3.66Å; P80-F88 HydrophobicContact CB-CG 4.25Å; P80-F88 HydrophobicContact CB-CZ 4.12Å; P80-F88 HydrophobicContact CG-CD2 4.3Å; P80-F88 HydrophobicContact CG-CG 4.4Å; G84-F88 WeakPolarHBondContact O-CD2 3.46Å; G84-F88 PolarHBondContact O-N 2.63Å; H85-F88 PolarHBondContact O-N 2.92Å; F88-L91 PolarHBondContact O-N 2.9Å; F88-K92 WeakPolarHBondContact O-CB 3.46Å; F88-K92 VanDerWaalsContact O-CG 3.3Å; F88-K92 WeakPolarHBondContact O-CG 3.4Å; F88-K92 PolarHBondContact O-N 2.89Å; F88-S122 WeakPolarHBondContact CE1-O 3.27Å; F88-S122 VanDerWaalsContact CZ-O 3.24Å; F88-S122 WeakPolarHBondContact CZ-O 3.45Å; F88-S122 VanDerWaalsContact CZ-OG 3.26Å; F88-S122 WeakPolarHBondContact CZ-OG 3.12Å; F88-R125 HydrophobicContact CD1-CG 4.44Å; F88-R125 HydrophobicContact CE1-CB 4.16Å; F88-R125 HydrophobicContact CE1-CG 4.38Å; F88-L126 HydrophobicContact CE1-CB 3.61Å; F88-L126 HydrophobicContact CE2-CB 4.49Å; F88-L126 HydrophobicContact CZ-CB 3.58Å; F88-L126 HydrophobicContact CZ-CG 4.47Å; F88-L129 HydrophobicContact CD1-CD1 4.1Å |
| 89 | T | 84.5 | Confident | 85.5 | Confident | 9 Ų | 9 | 47.4 Ų | 47.4 | 6% | 0.055 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66 | -41.9 | 177.1 | -59 | 0 | 0 | 0 | 0 | 111.7 | H85 L86 F87 K92 R93 V676 A680 | H85-T89 PolarHBondContact O-N 3.38Å; H85-T89 VanDerWaalsContact O-N 3.14Å; H85-T89 PolarHBondContact O-OG1 3.14Å; H85-T89 VanDerWaalsContact O-OG1 3.08Å; L86-T89 WeakPolarHBondContact O-CB 3.28Å; L86-T89 PolarHBondContact O-N 3.17Å; L86-T89 VanDerWaalsContact O-N 3.16Å; F87-T89 VanDerWaalsContact C-N 3.26Å; F87-T89 PolarHBondContact O-N 3.04Å; T89-K92 PolarHBondContact O-N 3.32Å; T89-R93 WeakPolarHBondContact O-CG 3.38Å; T89-R93 PolarHBondContact O-N 2.95Å; T89-V676 HydrophobicContact CG2-CG1 3.92Å; T89-V676 WeakPolarHBondContact OG1-CG1 3.41Å; T89-A680 HydrophobicContact CG2-CB 3.7Å |
| 90 | Q | 88 | Confident | 85.9 | Confident | 58 Ų | 58 | 49.6 Ų | 49.6 | 27% | 0.271 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.5 | -47.3 | 175 | -71.9 | 172 | -4.5 | 0 | 0 | 111.4 | S56 L86 F87 K92 R93 K94 | S56-Q90 PolarHBondContact OG-OE1 3.12Å; L86-Q90 WeakPolarHBondContact O-CG 3.34Å; L86-Q90 PolarHBondContact O-N 3.45Å; F87-Q90 WeakPolarHBondContact O-CB 3.18Å; F87-Q90 PolarHBondContact O-N 3.31Å; Q90-K92 PolarHBondContact O-N 2.99Å; Q90-R93 WeakPolarHBondContact O-CB 3.24Å; Q90-R93 PolarHBondContact O-N 2.69Å; Q90-K94 WeakPolarHBondContact O-CG 3.43Å; Q90-K94 PolarHBondContact O-N 3.19Å |
| 91 | L | 91.3 | Very high | 86.1 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.2 | -41.2 | 176.9 | -68.2 | -176.2 | 0 | 0 | 0 | 112.6 | I62 F87 F88 R93 K94 A95 L101 L126 L129 L130 L133 | I62-L91 HydrophobicContact CG2-CD2 4.46Å; F87-L91 HydrophobicContact CD1-CD1 4.01Å; F87-L91 HydrophobicContact CD1-CG 4.41Å; F87-L91 HydrophobicContact CE1-CD1 3.43Å; F87-L91 VanDerWaalsContact CE1-CD1 3.43Å; F87-L91 HydrophobicContact CE1-CG 4.07Å; F87-L91 HydrophobicContact CE2-CG 4.49Å; F87-L91 HydrophobicContact CZ-CD1 3.78Å; F87-L91 HydrophobicContact CZ-CD2 4.24Å; F87-L91 HydrophobicContact CZ-CG 4.09Å; F87-L91 PolarHBondContact O-N 2.97Å; F88-L91 PolarHBondContact O-N 2.9Å; L91-R93 VanDerWaalsContact C-N 3.3Å; L91-R93 PolarHBondContact O-N 2.68Å; L91-K94 PolarHBondContact O-N 3.48Å; L91-A95 WeakPolarHBondContact O-CB 3.26Å; L91-A95 PolarHBondContact O-N 3.27Å; L91-L101 HydrophobicContact CD2-CD1 4.04Å; L91-L126 HydrophobicContact CD1-CD1 3.38Å; L91-L129 HydrophobicContact CB-CB 4.36Å; L91-L129 HydrophobicContact CB-CD1 4.34Å; L91-L130 HydrophobicContact CD1-CD2 4.14Å; L91-L133 HydrophobicContact CB-CD1 4.13Å; L91-L133 HydrophobicContact CD2-CD1 3.72Å; L91-L133 HydrophobicContact CG-CD1 4.44Å |
| 92 | K | 89.8 | Confident | 86.5 | Confident | 90 Ų | 90 | 53.9 Ų | 53.9 | 39% | 0.391 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57.5 | -43.2 | 173.3 | -76 | 174.6 | -174.9 | 178.3 | 0 | 111.5 | F88 T89 Q90 A95 I96 L129 | F88-K92 WeakPolarHBondContact O-CB 3.46Å; F88-K92 VanDerWaalsContact O-CG 3.3Å; F88-K92 WeakPolarHBondContact O-CG 3.4Å; F88-K92 PolarHBondContact O-N 2.89Å; T89-K92 PolarHBondContact O-N 3.32Å; Q90-K92 PolarHBondContact O-N 2.99Å; K92-A95 PolarHBondContact O-N 3.36Å; K92-I96 VanDerWaalsContact O-CG1 3.3Å; K92-I96 WeakPolarHBondContact O-CG1 3.15Å; K92-I96 PolarHBondContact O-N 3.27Å; K92-L129 HydrophobicContact CG-CD1 3.84Å; K92-L129 HydrophobicContact CG-CD2 3.77Å; K92-L129 HydrophobicContact CG-CG 4.48Å |
| 93 | R | 87.1 | Confident | 87.1 | Confident | 91 Ų | 91 | 59.9 Ų | 59.9 | 34% | 0.343 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 176.3 | -71.1 | 178.2 | -168.3 | 165.3 | 14 | 112 | T89 Q90 L91 A95 I96 A97 K677 | T89-R93 WeakPolarHBondContact O-CG 3.38Å; T89-R93 PolarHBondContact O-N 2.95Å; Q90-R93 WeakPolarHBondContact O-CB 3.24Å; Q90-R93 PolarHBondContact O-N 2.69Å; L91-R93 VanDerWaalsContact C-N 3.3Å; L91-R93 PolarHBondContact O-N 2.68Å; R93-A95 VanDerWaalsContact C-N 3.26Å; R93-A95 PolarHBondContact O-N 3.33Å; R93-I96 WeakPolarHBondContact O-CB 3.01Å; R93-I96 PolarHBondContact O-N 2.99Å; R93-A97 WeakPolarHBondContact O-CB 3.29Å; R93-A97 PolarHBondContact O-N 3.3Å; R93-K677 VanDerWaalsContact NH2-CA 3.3Å |
| 94 | K | 89.4 | Confident | 87.6 | Confident | 23 Ų | 23 | 58.1 Ų | 58.1 | 10% | 0.1 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.8 | -40.5 | 175.8 | -69.8 | -171.8 | 177.1 | -61.4 | 0 | 111.8 | E63 Q90 L91 A97 K98 E99 L133 | E63-K94 WeakPolarHBondContact OE1-CE 3.49Å; E63-K94 IonicContact OE1-NZ 2.9Å; E63-K94 PolarHBondContact OE1-NZ 2.64Å; Q90-K94 WeakPolarHBondContact O-CG 3.43Å; Q90-K94 PolarHBondContact O-N 3.19Å; L91-K94 PolarHBondContact O-N 3.48Å; K94-A97 CarbonylContact O-C 3.53Å; K94-A97 PolarHBondContact O-N 3.34Å; K94-K98 PolarHBondContact O-N 3Å; K94-E99 HydrophobicContact CB-CB 4.11Å; K94-E99 WeakPolarHBondContact CG-OE2 3.42Å; K94-E99 IonicContact NZ-OE1 2.66Å; K94-E99 IonicContact NZ-OE2 2.62Å; K94-E99 PolarHBondContact NZ-OE2 3.18Å; K94-E99 PolarHBondContact O-N 3.18Å; K94-L133 HydrophobicContact CB-CD1 4.27Å; K94-L133 HydrophobicContact CB-CD2 3.74Å |
| 95 | A | 85.3 | Confident | 88.1 | Confident | 31 Ų | 31 | 59.1 Ų | 59.1 | 26% | 0.256 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L91 K92 R93 K98 L133 | L91-A95 WeakPolarHBondContact O-CB 3.26Å; L91-A95 PolarHBondContact O-N 3.27Å; K92-A95 PolarHBondContact O-N 3.36Å; R93-A95 VanDerWaalsContact C-N 3.26Å; R93-A95 PolarHBondContact O-N 3.33Å; A95-K98 PolarHBondContact O-N 2.97Å; A95-L133 HydrophobicContact CB-CD2 4.11Å; A95-L133 HydrophobicContact CB-CG 4.36Å |
| 96 | I | 85.3 | Confident | 88.7 | Confident | 126 Ų | 126 | 57.2 Ų | 57.2 | 65% | 0.646 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -64 | -44 | 173.4 | -66.4 | 163.8 | 0 | 0 | 0 | 111 | K92 R93 K98 | K92-I96 VanDerWaalsContact O-CG1 3.3Å; K92-I96 WeakPolarHBondContact O-CG1 3.15Å; K92-I96 PolarHBondContact O-N 3.27Å; R93-I96 WeakPolarHBondContact O-CB 3.01Å; R93-I96 PolarHBondContact O-N 2.99Å; I96-K98 PolarHBondContact O-N 3.23Å |
| 97 | A | 85.4 | Confident | 89.5 | Confident | 64 Ų | 64 | 56.3 Ų | 56.3 | 53% | 0.529 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -2.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | R93 K94 E99 | R93-A97 WeakPolarHBondContact O-CB 3.29Å; R93-A97 PolarHBondContact O-N 3.3Å; K94-A97 CarbonylContact O-C 3.53Å; K94-A97 PolarHBondContact O-N 3.34Å; A97-E99 HydrophobicContact CB-CG 4.21Å; A97-E99 PolarHBondContact O-N 2.94Å |
| 98 | K | 85.6 | Confident | 89.9 | Confident | 161 Ų | 161 | 56.3 Ų | 56.3 | 70% | 0.7 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 28.4 | -175.6 | -57.4 | -179.7 | 179.6 | 177.9 | 0 | 113.7 | K94 A95 I96 R100 | K94-K98 PolarHBondContact O-N 3Å; A95-K98 PolarHBondContact O-N 2.97Å; I96-K98 PolarHBondContact O-N 3.23Å; K98-R100 PolarHBondContact O-NH1 2.98Å |
| 99 | E | 88.5 | Confident | 90.2 | Very high | 80 Ų | 80 | 56.1 Ų | 56.1 | 37% | 0.374 | 27% | 0.266 | S | S | . | . | trans | -62.6 | 159.7 | 168.6 | -68.7 | 179.8 | -144.4 | 0 | 0 | 110.2 | K94 A97 L133 | K94-E99 HydrophobicContact CB-CB 4.11Å; K94-E99 WeakPolarHBondContact CG-OE2 3.42Å; K94-E99 IonicContact NZ-OE1 2.66Å; K94-E99 IonicContact NZ-OE2 2.62Å; K94-E99 PolarHBondContact NZ-OE2 3.18Å; K94-E99 PolarHBondContact O-N 3.18Å; A97-E99 HydrophobicContact CB-CG 4.21Å; A97-E99 PolarHBondContact O-N 2.94Å; E99-L133 WeakPolarHBondContact O-CD2 3.17Å | ||
| 100 | R | 90.9 | Very high | 90.8 | Very high | 136 Ų | 136 | 55.7 Ų | 55.7 | 51% | 0.513 | 26% | 0.264 | S | S | . | . | trans | -125.9 | 136.4 | -177.3 | -66.3 | -67.3 | -178.9 | -103.9 | 5 | 110.4 | K98 E102 L133 | K98-R100 PolarHBondContact O-NH1 2.98Å; R100-E102 HydrophobicContact CB-CG 4.11Å; R100-L133 CarbonylContact C-O 3.45Å; R100-L133 WeakPolarHBondContact CA-O 3.3Å | ||
| 101 | L | 91.6 | Very high | 91 | Very high | 7 Ų | 7 | 53.1 Ų | 53.1 | 4% | 0.037 | 25% | 0.252 | C | S | . | . | trans | -112.8 | 41 | 173.8 | -62.2 | 179.2 | 0 | 0 | 0 | 109.5 | I62 E63 L91 F103 L104 L133 A135 | I62-L101 HydrophobicContact CG1-CD1 4.25Å; I62-L101 HydrophobicContact CG2-CD2 4.39Å; E63-L101 HydrophobicContact CB-CD2 4.48Å; E63-L101 HydrophobicContact CG-CD2 4.32Å; L91-L101 HydrophobicContact CD2-CD1 4.04Å; L101-F103 PolarHBondContact O-N 3.41Å; L101-L104 HydrophobicContact CB-CB 4.02Å; L101-L104 HydrophobicContact CB-CD2 4.3Å; L101-L104 HydrophobicContact CD1-CD2 3.98Å; L101-L104 VanDerWaalsContact O-CB 3.31Å; L101-L104 WeakPolarHBondContact O-CB 3.45Å; L101-L104 PolarHBondContact O-N 3.25Å; L101-L133 HydrophobicContact CB-CB 4.25Å; L101-L133 HydrophobicContact CD1-CB 4.05Å; L101-L133 HydrophobicContact CD1-CD1 3.75Å; L101-L133 HydrophobicContact CD1-CG 4.46Å; L101-L133 HydrophobicContact CG-CB 4.1Å; L101-L133 HydrophobicContact CG-CD1 4.42Å; L101-L133 PolarHBondContact N-O 2.83Å; L101-A135 HydrophobicContact CB-CB 4.2Å; L101-A135 VanDerWaalsContact O-CA 3.31Å; L101-A135 WeakPolarHBondContact O-CA 3.37Å | ||
| 102 | E | 89 | Confident | 90.9 | Very high | 98 Ų | 98 | 53.2 Ų | 53.2 | 46% | 0.458 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -23.4 | -173.6 | -75.1 | 169.9 | -160.1 | 0 | 0 | 114.2 | R100 G134 | R100-E102 HydrophobicContact CB-CG 4.11Å; E102-G134 WeakPolarHBondContact CA-O 3.25Å |
| 103 | F | 87.8 | Confident | 90.6 | Very high | 181 Ų | 181 | 50.7 Ų | 50.7 | 79% | 0.794 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -10.2 | 175.9 | -56.8 | -70.2 | 0 | 0 | 0 | 113.4 | L101 N105 | L101-F103 PolarHBondContact O-N 3.41Å; F103-N105 PolarHBondContact O-N 2.94Å |
| 104 | L | 92.9 | Very high | 90.5 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | trans | -83.8 | 113 | -178.5 | 176.7 | 63.9 | 0 | 0 | 0 | 109.8 | I62 E65 V68 L101 L130 A135 R136 | I62-L104 HydrophobicContact CD1-CD1 4.25Å; I62-L104 HydrophobicContact CD1-CD2 3.79Å; I62-L104 HydrophobicContact CG1-CD2 3.94Å; E65-L104 HydrophobicContact CB-CD1 4.4Å; V68-L104 HydrophobicContact CB-CD1 4.02Å; V68-L104 HydrophobicContact CG2-CD1 3.48Å; V68-L104 VanDerWaalsContact CG2-CD1 3.48Å; L101-L104 HydrophobicContact CB-CB 4.02Å; L101-L104 HydrophobicContact CB-CD2 4.3Å; L101-L104 HydrophobicContact CD1-CD2 3.98Å; L101-L104 VanDerWaalsContact O-CB 3.31Å; L101-L104 WeakPolarHBondContact O-CB 3.45Å; L101-L104 PolarHBondContact O-N 3.25Å; L104-L130 HydrophobicContact CD2-CD2 4.03Å; L104-A135 HydrophobicContact CB-CB 4.07Å; L104-A135 HydrophobicContact CD2-CB 3.96Å; L104-A135 HydrophobicContact CG-CB 4.11Å; L104-A135 WeakPolarHBondContact O-CA 3.39Å; L104-R136 PolarHBondContact O-N 3.11Å | ||
| 105 | N | 93.9 | Very high | 90.2 | Very high | 21 Ų | 21 | 47.1 Ų | 47.1 | 11% | 0.112 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 134.9 | 163.8 | -57 | -60.4 | 0 | 0 | 0 | 108.9 | M13 S66 C67 V68 F103 R136 F138 | M13-N105 HydrophobicContact CE-CB 4.46Å; M13-N105 WeakPolarHBondContact CE-OD1 3.42Å; S66-N105 WeakPolarHBondContact O-CB 3.41Å; S66-N105 PolarHBondContact O-N 3.01Å; S66-N105 PolarHBondContact O-ND2 3.45Å; C67-N105 VanDerWaalsContact CA-O 3.3Å; C67-N105 WeakPolarHBondContact CA-O 3.27Å; V68-N105 PolarHBondContact N-O 2.92Å; F103-N105 PolarHBondContact O-N 2.94Å; N105-R136 CarbonylContact C-O 3.46Å; N105-R136 VanDerWaalsContact CA-O 3.28Å; N105-R136 WeakPolarHBondContact CA-O 3.4Å; N105-F138 HydrophobicContact CB-CB 4.46Å; N105-F138 HydrophobicContact CB-CD1 3.78Å; N105-F138 HydrophobicContact CB-CG 4.47Å |
| 106 | Y | 95.5 | Very high | 90 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 158.3 | 178.6 | 78.5 | -86.9 | 0 | 0 | 0 | 113.8 | V68 F70 L108 L130 A135 R136 S137 F138 | V68-Y106 WeakPolarHBondContact O-CA 3.49Å; V68-Y106 WeakPolarHBondContact O-CB 3.25Å; F70-Y106 HydrophobicContact CD2-CD2 4.33Å; F70-Y106 HydrophobicContact CD2-CG 4.49Å; F70-Y106 HydrophobicContact CE2-CG 4.43Å; Y106-L108 HydrophobicContact CD2-CB 4.23Å; Y106-L108 HydrophobicContact CE2-CB 4.2Å; Y106-L130 HydrophobicContact CD1-CB 4.26Å; Y106-L130 HydrophobicContact CD1-CD1 4.11Å; Y106-L130 HydrophobicContact CD2-CD1 3.74Å; Y106-L130 HydrophobicContact CE1-CB 3.84Å; Y106-L130 HydrophobicContact CE1-CD1 4.21Å; Y106-L130 HydrophobicContact CE2-CD1 3.88Å; Y106-L130 HydrophobicContact CG-CD1 3.87Å; Y106-A135 HydrophobicContact CD1-CB 3.89Å; Y106-A135 HydrophobicContact CE1-CB 4.14Å; Y106-R136 WeakPolarHBondContact CD1-O 3.45Å; Y106-R136 PolarHBondContact N-O 3.31Å; Y106-S137 VanDerWaalsContact O-CA 3.3Å; Y106-S137 WeakPolarHBondContact O-CA 3.36Å; Y106-F138 WeakPolarHBondContact O-CD1 3.24Å; Y106-F138 PolarHBondContact O-N 2.61Å |
| 107 | A | 96.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 147.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | V68 L69 F70 F138 F139 W157 I161 | V68-A107 PolarHBondContact O-N 2.84Å; V68-A107 VanDerWaalsContact O-N 3.11Å; L69-A107 HydrophobicContact CD2-CB 3.99Å; F70-A107 PolarHBondContact N-O 2.68Å; A107-F138 HydrophobicContact CB-CE1 3.91Å; A107-F138 HydrophobicContact CB-CE2 4.5Å; A107-F138 HydrophobicContact CB-CZ 3.86Å; A107-F139 HydrophobicContact CB-CB 3.85Å; A107-W157 HydrophobicContact CB-CH2 4.19Å; A107-W157 HydrophobicContact CB-CZ2 3.82Å; A107-I161 HydrophobicContact CB-CD1 3.31Å |
| 108 | L | 98.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 126.3 | -174.3 | 174.2 | 64.8 | 0 | 0 | 0 | 111.1 | F70 V72 Y106 P123 L126 E127 T141 A142 | F70-L108 HydrophobicContact CB-CB 4.46Å; F70-L108 HydrophobicContact CB-CD1 3.47Å; F70-L108 VanDerWaalsContact CB-CD1 3.47Å; V72-L108 HydrophobicContact CB-CD1 4.46Å; V72-L108 HydrophobicContact CG2-CD1 4.28Å; Y106-L108 HydrophobicContact CD2-CB 4.23Å; Y106-L108 HydrophobicContact CE2-CB 4.2Å; L108-P123 HydrophobicContact CD2-CB 4.36Å; L108-P123 WeakPolarHBondContact CD2-O 3.19Å; L108-L126 HydrophobicContact CD1-CD2 4Å; L108-E127 HydrophobicContact CD2-CB 3.82Å; L108-T141 HydrophobicContact CB-CG2 3.96Å; L108-T141 HydrophobicContact CD2-CG2 3.87Å; L108-T141 HydrophobicContact CG-CG2 3.93Å; L108-T141 VanDerWaalsContact O-CA 3.31Å; L108-T141 WeakPolarHBondContact O-CA 3.46Å; L108-A142 PolarHBondContact O-N 3.13Å |
| 109 | L | 98 | Very high | 89.8 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 113 | 165.4 | -172.8 | 67.1 | 0 | 0 | 0 | 108.5 | I33 F70 V71 V72 L111 A142 C144 V153 A154 W157 | I33-L109 HydrophobicContact CG2-CD2 3.81Å; F70-L109 PolarHBondContact O-N 3.09Å; V71-L109 WeakPolarHBondContact CA-O 3.43Å; V71-L109 HydrophobicContact CG1-CD2 4.38Å; V72-L109 PolarHBondContact N-O 3.19Å; L109-L111 HydrophobicContact CG-CD1 4.43Å; L109-A142 WeakPolarHBondContact CA-O 3.47Å; L109-A142 HydrophobicContact CD1-CB 3.86Å; L109-C144 VanDerWaalsContact CD1-SG 3.57Å; L109-V153 HydrophobicContact CD1-CG1 4.33Å; L109-A154 HydrophobicContact CD2-CB 3.98Å; L109-W157 HydrophobicContact CB-CD2 4.2Å; L109-W157 HydrophobicContact CB-CE3 4.02Å; L109-W157 HydrophobicContact CB-CH2 3.98Å; L109-W157 HydrophobicContact CB-CZ2 4.14Å; L109-W157 HydrophobicContact CB-CZ3 3.92Å; L109-W157 HydrophobicContact CD1-CB 4.24Å; L109-W157 HydrophobicContact CD1-CD2 3.95Å; L109-W157 HydrophobicContact CD1-CE3 4.23Å; L109-W157 HydrophobicContact CD1-CG 3.96Å; L109-W157 HydrophobicContact CD2-CE3 3.98Å; L109-W157 HydrophobicContact CD2-CZ3 4.33Å; L109-W157 HydrophobicContact CG-CD2 4.46Å; L109-W157 HydrophobicContact CG-CE3 4.32Å |
| 110 | G | 96.9 | Very high | 90 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 140.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V72 A142 F143 C144 | V72-G110 CarbonylContact O-C 3.58Å; V72-G110 WeakPolarHBondContact O-CA 3.28Å; G110-A142 PolarHBondContact N-O 3.04Å; G110-F143 CarbonylContact O-C 3.55Å; G110-F143 WeakPolarHBondContact O-CA 3.37Å; G110-C144 PolarHBondContact O-N 3.4Å |
| 111 | L | 92.6 | Very high | 90.1 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 138 | 171 | -69.6 | 67 | 0 | 0 | 0 | 109.5 | Q29 A30 I33 V71 V72 S73 T74 L109 C120 C144 T150 | Q29-L111 HydrophobicContact CB-CD2 4.27Å; A30-L111 HydrophobicContact CB-CD2 4.2Å; I33-L111 HydrophobicContact CD1-CD1 4.37Å; I33-L111 HydrophobicContact CD1-CD2 3.92Å; I33-L111 HydrophobicContact CD1-CG 4.48Å; V71-L111 HydrophobicContact CG1-CD1 3.95Å; V72-L111 PolarHBondContact O-N 3.4Å; S73-L111 CarbonylContact C-O 3.52Å; T74-L111 WeakPolarHBondContact CB-O 3.45Å; T74-L111 PolarHBondContact N-O 2.76Å; T74-L111 PolarHBondContact OG1-O 2.66Å; L109-L111 HydrophobicContact CG-CD1 4.43Å; L111-C120 VanDerWaalsContact C-SG 3.56Å; L111-C144 HydrophobicContact CG-CB 4.21Å; L111-T150 HydrophobicContact CD2-CG2 3.84Å; L111-T150 HydrophobicContact CG-CG2 3.82Å |
| 112 | G | 88.1 | Confident | 90.2 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.6 | -176.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | C120 C144 D145 D146 | G112-C120 PolarHBondContact N-SG 3.04Å; G112-C120 VanDerWaalsContact N-SG 3.41Å; G112-C144 PolarHBondContact N-O 3.47Å; G112-C144 VanDerWaalsContact N-O 3.16Å; G112-D145 CarbonylContact O-C 3.28Å; G112-D145 WeakPolarHBondContact O-CA 3.4Å; G112-D146 PolarHBondContact O-N 3.41Å |
| 113 | D | 84.1 | Confident | 90.5 | Very high | 37 Ų | 37 | 27.1 Ų | 27.1 | 20% | 0.198 | 14% | 0.137 | C | C | . | . | trans | -132.2 | 122.7 | -177 | 178.9 | -12.2 | 0 | 0 | 0 | 109.5 | N115 Y116 D146 | D113-N115 PolarHBondContact O-N 3.24Å; D113-N115 WeakPolarHBondContact OD1-CB 3.45Å; D113-N115 PolarHBondContact OD1-N 2.96Å; D113-N115 PolarHBondContact OD1-ND2 3.35Å; D113-N115 PolarHBondContact OD2-ND2 3.05Å; D113-Y116 HydrophobicContact CB-CD2 3.67Å; D113-Y116 HydrophobicContact CB-CE2 3.93Å; D113-Y116 PolarHBondContact O-N 2.94Å; D113-Y116 WeakPolarHBondContact OD2-CE2 3.46Å; D113-D146 HydrophobicContact CB-CB 4.15Å | ||
| 114 | S | 86 | Confident | 90.9 | Very high | 30 Ų | 30 | 22.9 Ų | 22.9 | 21% | 0.21 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -7.7 | -179.2 | 62.4 | 0 | 0 | 0 | 0 | 114.7 | Y116 D145 | S114-Y116 PolarHBondContact O-N 3.08Å; S114-D145 WeakPolarHBondContact CB-OD2 3.36Å; S114-D145 PolarHBondContact N-OD1 2.7Å; S114-D145 PolarHBondContact OG-OD1 3.16Å; S114-D145 PolarHBondContact OG-OD2 3.32Å |
| 115 | N | 81.3 | Confident | 91.1 | Very high | 9 Ų | 9 | 27.2 Ų | 27.2 | 5% | 0.048 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -21.1 | 170 | -61 | -53.9 | 0 | 0 | 0 | 112.3 | D113 A147 S410 R411 Q439 Y442 Q443 | D113-N115 PolarHBondContact O-N 3.24Å; D113-N115 WeakPolarHBondContact OD1-CB 3.45Å; D113-N115 PolarHBondContact OD1-N 2.96Å; D113-N115 PolarHBondContact OD1-ND2 3.35Å; D113-N115 PolarHBondContact OD2-ND2 3.05Å; N115-A147 WeakPolarHBondContact ND2-CB 3.45Å; N115-S410 VanDerWaalsContact ND2-CB 3.29Å; N115-S410 WeakPolarHBondContact ND2-CB 3.49Å; N115-S410 WeakPolarHBondContact OD1-CA 3.45Å; N115-R411 PolarHBondContact OD1-N 2.61Å; N115-Q439 PolarHBondContact O-NE2 3.35Å; N115-Y442 HydrophobicContact CB-CE1 4.15Å; N115-Q443 PolarHBondContact O-NE2 3.41Å |
| 116 | Y | 81.3 | Confident | 91.2 | Very high | 67 Ų | 67 | 26.2 Ų | 26.2 | 26% | 0.263 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -86.4 | 161.6 | 174.7 | -67 | -99.2 | 0 | 0 | 0 | 111.3 | D113 S114 T118 R447 | D113-Y116 HydrophobicContact CB-CD2 3.67Å; D113-Y116 HydrophobicContact CB-CE2 3.93Å; D113-Y116 PolarHBondContact O-N 2.94Å; D113-Y116 WeakPolarHBondContact OD2-CE2 3.46Å; S114-Y116 PolarHBondContact O-N 3.08Å; Y116-T118 VanDerWaalsContact C-N 3.32Å; Y116-T118 PolarHBondContact O-N 2.94Å; Y116-R447 PolarHBondContact OH-NH2 2.87Å |
| 117 | N | 79.1 | Confident | 91.2 | Very high | 98 Ų | 98 | 28.3 Ų | 28.3 | 52% | 0.524 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -68 | -36.7 | -179.1 | -55.6 | -37.9 | 0 | 0 | 0 | 111.1 | D77 Q439 Q443 | D77-N117 WeakPolarHBondContact OD1-CB 3.48Å; D77-N117 PolarHBondContact OD1-N 3.45Å; D77-N117 PolarHBondContact OD2-ND2 3.19Å; N117-Q439 PolarHBondContact OD1-NE2 3.14Å; N117-Q443 PolarHBondContact OD1-NE2 3.22Å |
| 118 | T | 84.4 | Confident | 91.2 | Very high | 57 Ų | 57 | 30.7 Ų | 30.7 | 35% | 0.35 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -107 | 75.6 | -177.4 | -45.3 | 0 | 0 | 0 | 0 | 112.9 | D77 Y116 C120 G121 | D77-T118 WeakPolarHBondContact O-CB 3.48Å; D77-T118 PolarHBondContact O-OG1 3.33Å; D77-T118 WeakPolarHBondContact OD1-CB 3.41Å; D77-T118 PolarHBondContact OD1-N 2.76Å; D77-T118 PolarHBondContact OD1-OG1 2.66Å; Y116-T118 VanDerWaalsContact C-N 3.32Å; Y116-T118 PolarHBondContact O-N 2.94Å; T118-C120 PolarHBondContact O-N 3.43Å; T118-G121 PolarHBondContact O-N 2.69Å |
| 119 | F | 90.1 | Very high | 91 | Very high | 53 Ų | 53 | 31.4 Ų | 31.4 | 23% | 0.232 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 124.8 | 176 | 177.5 | -123.2 | 0 | 0 | 0 | 112.9 | G121 K124 F143 D145 | F119-G121 PolarHBondContact O-N 3.11Å; F119-K124 WeakPolarHBondContact O-CE 3.43Å; F119-K124 PolarHBondContact O-NZ 2.69Å; F119-F143 HydrophobicContact CE1-CB 4.1Å; F119-F143 HydrophobicContact CZ-CB 4.08Å; F119-D145 HydrophobicContact CE2-CB 3.85Å; F119-D145 HydrophobicContact CZ-CB 3.87Å |
| 120 | C | 92.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 34.3 | -179.9 | -80.4 | 0 | 0 | 0 | 0 | 114.2 | T74 L111 G112 T118 S122 P123 K124 F143 | T74-C120 WeakPolarHBondContact OG1-CA 3.41Å; L111-C120 VanDerWaalsContact C-SG 3.56Å; G112-C120 PolarHBondContact N-SG 3.04Å; G112-C120 VanDerWaalsContact N-SG 3.41Å; T118-C120 PolarHBondContact O-N 3.43Å; C120-S122 VanDerWaalsContact C-N 3.32Å; C120-S122 PolarHBondContact O-N 2.79Å; C120-P123 WeakPolarHBondContact O-CD 3.31Å; C120-K124 HydrophobicContact CB-CD 4.49Å; C120-K124 WeakPolarHBondContact O-CB 3.44Å; C120-K124 VanDerWaalsContact O-CG 3.29Å; C120-K124 WeakPolarHBondContact O-CG 3.49Å; C120-K124 PolarHBondContact O-N 3.12Å; C120-F143 HydrophobicContact CB-CB 4.39Å; C120-F143 HydrophobicContact CB-CD1 3.67Å; C120-F143 HydrophobicContact CB-CE1 4.27Å; C120-F143 HydrophobicContact CB-CG 4.17Å |
| 121 | G | 92.1 | Very high | 90.8 | Very high | 8 Ų | 8 | 36 Ų | 36 | 8% | 0.082 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56.8 | -40 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | G78 T118 F119 R125 | G78-G121 CarbonylContact O-C 3.5Å; T118-G121 PolarHBondContact O-N 2.69Å; F119-G121 PolarHBondContact O-N 3.11Å; G121-R125 VanDerWaalsContact O-CB 3.27Å; G121-R125 WeakPolarHBondContact O-CB 3.44Å; G121-R125 PolarHBondContact O-N 2.98Å; G121-R125 VanDerWaalsContact O-N 3.1Å |
| 122 | S | 93.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68 | -56.2 | 179.1 | 158.4 | 0 | 0 | 0 | 0 | 112.1 | V72 S73 G78 D79 P80 F88 C120 K124 R125 L126 | V72-S122 WeakPolarHBondContact CG1-OG 3.39Å; S73-S122 WeakPolarHBondContact O-CB 3.38Å; S73-S122 PolarHBondContact O-OG 2.9Å; G78-S122 PolarHBondContact O-N 3.13Å; D79-S122 WeakPolarHBondContact O-CB 3.44Å; P80-S122 WeakPolarHBondContact CA-OG 3.49Å; F88-S122 WeakPolarHBondContact CE1-O 3.27Å; F88-S122 VanDerWaalsContact CZ-O 3.24Å; F88-S122 WeakPolarHBondContact CZ-O 3.45Å; F88-S122 VanDerWaalsContact CZ-OG 3.26Å; F88-S122 WeakPolarHBondContact CZ-OG 3.12Å; C120-S122 VanDerWaalsContact C-N 3.32Å; C120-S122 PolarHBondContact O-N 2.79Å; S122-K124 PolarHBondContact O-N 2.94Å; S122-R125 WeakPolarHBondContact O-CB 3.37Å; S122-R125 PolarHBondContact O-N 2.99Å; S122-R125 VanDerWaalsContact O-N 3.1Å; S122-L126 PolarHBondContact O-N 3.08Å |
| 123 | P | 96.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -53.9 | -45.7 | 174.4 | -30.6 | 37.5 | 0 | 0 | 0 | 114.3 | V72 T74 L108 C120 R125 L126 E127 F143 | V72-P123 HydrophobicContact CB-CG 4.26Å; V72-P123 HydrophobicContact CG1-CG 4.26Å; V72-P123 WeakPolarHBondContact O-CG 3.37Å; T74-P123 WeakPolarHBondContact OG1-CD 3.48Å; L108-P123 HydrophobicContact CD2-CB 4.36Å; L108-P123 WeakPolarHBondContact CD2-O 3.19Å; C120-P123 WeakPolarHBondContact O-CD 3.31Å; P123-R125 VanDerWaalsContact C-N 3.28Å; P123-R125 PolarHBondContact O-N 2.89Å; P123-L126 WeakPolarHBondContact O-CB 3.24Å; P123-L126 PolarHBondContact O-N 3.44Å; P123-L126 VanDerWaalsContact O-N 3.07Å; P123-E127 PolarHBondContact O-N 3.19Å; P123-F143 HydrophobicContact CB-CD1 4.2Å; P123-F143 HydrophobicContact CB-CE1 3.82Å |
| 124 | K | 96.5 | Very high | 91.6 | Very high | 92 Ų | 92 | 41.8 Ų | 41.8 | 40% | 0.4 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60 | -39.2 | 177.3 | -72.5 | 171.6 | 178 | 168.9 | 0 | 112.1 | F119 C120 S122 S128 F143 | F119-K124 WeakPolarHBondContact O-CE 3.43Å; F119-K124 PolarHBondContact O-NZ 2.69Å; C120-K124 HydrophobicContact CB-CD 4.49Å; C120-K124 WeakPolarHBondContact O-CB 3.44Å; C120-K124 VanDerWaalsContact O-CG 3.29Å; C120-K124 WeakPolarHBondContact O-CG 3.49Å; C120-K124 PolarHBondContact O-N 3.12Å; S122-K124 PolarHBondContact O-N 2.94Å; K124-S128 PolarHBondContact O-N 3.1Å; K124-F143 HydrophobicContact CG-CE1 3.91Å; K124-F143 HydrophobicContact CG-CE2 4.41Å; K124-F143 HydrophobicContact CG-CZ 3.72Å |
| 125 | R | 95.4 | Very high | 92 | Very high | 93 Ų | 93 | 40.6 Ų | 40.6 | 35% | 0.351 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -68.2 | -36.6 | 175.7 | -172.3 | -179.3 | -68 | 125.9 | -5.7 | 111.7 | G78 F88 G121 S122 P123 L129 | G78-R125 PolarHBondContact O-NH1 3.22Å; F88-R125 HydrophobicContact CD1-CG 4.44Å; F88-R125 HydrophobicContact CE1-CB 4.16Å; F88-R125 HydrophobicContact CE1-CG 4.38Å; G121-R125 VanDerWaalsContact O-CB 3.27Å; G121-R125 WeakPolarHBondContact O-CB 3.44Å; G121-R125 PolarHBondContact O-N 2.98Å; G121-R125 VanDerWaalsContact O-N 3.1Å; S122-R125 WeakPolarHBondContact O-CB 3.37Å; S122-R125 PolarHBondContact O-N 2.99Å; S122-R125 VanDerWaalsContact O-N 3.1Å; P123-R125 VanDerWaalsContact C-N 3.28Å; P123-R125 PolarHBondContact O-N 2.89Å; R125-L129 HydrophobicContact CG-CD1 4.46Å; R125-L129 VanDerWaalsContact O-CG 3.3Å; R125-L129 WeakPolarHBondContact O-CG 3.38Å; R125-L129 PolarHBondContact O-N 3.32Å; R125-L129 VanDerWaalsContact O-N 3.11Å |
| 126 | L | 96.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64 | -49.2 | 175.5 | 174.6 | 56.6 | 0 | 0 | 0 | 110.7 | F70 V72 F87 F88 L91 L108 S122 P123 S128 L129 L130 | F70-L126 HydrophobicContact CB-CD2 4.23Å; F70-L126 HydrophobicContact CD1-CD2 3.99Å; F70-L126 HydrophobicContact CG-CD2 4.06Å; V72-L126 HydrophobicContact CG2-CD2 3.71Å; F87-L126 HydrophobicContact CD1-CD1 4.33Å; F87-L126 HydrophobicContact CE1-CD1 3.75Å; F88-L126 HydrophobicContact CE1-CB 3.61Å; F88-L126 HydrophobicContact CE2-CB 4.49Å; F88-L126 HydrophobicContact CZ-CB 3.58Å; F88-L126 HydrophobicContact CZ-CG 4.47Å; L91-L126 HydrophobicContact CD1-CD1 3.38Å; L108-L126 HydrophobicContact CD1-CD2 4Å; S122-L126 PolarHBondContact O-N 3.08Å; P123-L126 WeakPolarHBondContact O-CB 3.24Å; P123-L126 PolarHBondContact O-N 3.44Å; P123-L126 VanDerWaalsContact O-N 3.07Å; L126-S128 VanDerWaalsContact C-N 3.33Å; L126-S128 PolarHBondContact O-N 2.8Å; L126-L129 WeakPolarHBondContact O-CB 3.32Å; L126-L129 PolarHBondContact O-N 2.7Å; L126-L130 HydrophobicContact CD1-CD1 3.97Å; L126-L130 HydrophobicContact CD1-CD2 4.5Å; L126-L130 HydrophobicContact CD1-CG 3.96Å; L126-L130 HydrophobicContact CG-CD1 3.88Å; L126-L130 HydrophobicContact CG-CG 4.33Å; L126-L130 WeakPolarHBondContact O-CG 3.37Å; L126-L130 PolarHBondContact O-N 3.21Å |
| 127 | E | 96.6 | Very high | 93.1 | Very high | 44 Ų | 44 | 46.3 Ų | 46.3 | 21% | 0.206 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.4 | -47.8 | 177.2 | -174.4 | 167 | -135.3 | 0 | 0 | 111.5 | L108 P123 L129 L130 L131 T141 | L108-E127 HydrophobicContact CD2-CB 3.82Å; P123-E127 PolarHBondContact O-N 3.19Å; E127-L129 VanDerWaalsContact C-N 3.25Å; E127-L129 PolarHBondContact O-N 2.61Å; E127-L130 PolarHBondContact O-N 2.88Å; E127-L131 HydrophobicContact CG-CD1 4.03Å; E127-L131 HydrophobicContact CG-CG 4.45Å; E127-L131 WeakPolarHBondContact O-CG 3.45Å; E127-L131 PolarHBondContact O-N 3.05Å; E127-T141 VanDerWaalsContact OE1-CB 3.26Å; E127-T141 WeakPolarHBondContact OE1-CB 3.48Å; E127-T141 PolarHBondContact OE1-OG1 2.87Å |
| 128 | S | 95.6 | Very high | 93.7 | Very high | 51 Ų | 51 | 42 Ų | 42 | 36% | 0.357 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -57 | -38.8 | 175.7 | -173 | 0 | 0 | 0 | 0 | 112.6 | K124 L126 K132 | K124-S128 PolarHBondContact O-N 3.1Å; L126-S128 VanDerWaalsContact C-N 3.33Å; L126-S128 PolarHBondContact O-N 2.8Å; S128-K132 WeakPolarHBondContact O-CB 3.33Å; S128-K132 WeakPolarHBondContact O-CD 3.32Å; S128-K132 WeakPolarHBondContact O-CG 2.99Å; S128-K132 PolarHBondContact O-N 3.38Å; S128-K132 VanDerWaalsContact O-N 3.11Å |
| 129 | L | 95.2 | Very high | 94.1 | Very high | 15 Ų | 15 | 39.7 Ų | 39.7 | 8% | 0.079 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -71.3 | -42.1 | 177.5 | -72.3 | 167.5 | 0 | 0 | 0 | 112.3 | F88 L91 K92 R125 L126 E127 K132 L133 | F88-L129 HydrophobicContact CD1-CD1 4.1Å; L91-L129 HydrophobicContact CB-CB 4.36Å; L91-L129 HydrophobicContact CB-CD1 4.34Å; K92-L129 HydrophobicContact CG-CD1 3.84Å; K92-L129 HydrophobicContact CG-CD2 3.77Å; K92-L129 HydrophobicContact CG-CG 4.48Å; R125-L129 HydrophobicContact CG-CD1 4.46Å; R125-L129 VanDerWaalsContact O-CG 3.3Å; R125-L129 WeakPolarHBondContact O-CG 3.38Å; R125-L129 PolarHBondContact O-N 3.32Å; R125-L129 VanDerWaalsContact O-N 3.11Å; L126-L129 WeakPolarHBondContact O-CB 3.32Å; L126-L129 PolarHBondContact O-N 2.7Å; E127-L129 VanDerWaalsContact C-N 3.25Å; E127-L129 PolarHBondContact O-N 2.61Å; L129-K132 PolarHBondContact O-N 3.15Å; L129-L133 WeakPolarHBondContact O-CB 2.96Å; L129-L133 VanDerWaalsContact O-CG 3.3Å; L129-L133 WeakPolarHBondContact O-CG 3.35Å; L129-L133 PolarHBondContact O-N 3.03Å |
| 130 | L | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.4 | -47 | 177.9 | -71.6 | 171.1 | 0 | 0 | 0 | 111.2 | F70 L91 L104 Y106 L126 E127 K132 L133 G134 A135 | F70-L130 HydrophobicContact CD2-CD1 3.98Å; F70-L130 HydrophobicContact CE2-CD1 3.69Å; F70-L130 HydrophobicContact CE2-CD2 4.21Å; F70-L130 HydrophobicContact CZ-CD1 4.35Å; F70-L130 HydrophobicContact CZ-CD2 4.31Å; L91-L130 HydrophobicContact CD1-CD2 4.14Å; L104-L130 HydrophobicContact CD2-CD2 4.03Å; Y106-L130 HydrophobicContact CD1-CB 4.26Å; Y106-L130 HydrophobicContact CD1-CD1 4.11Å; Y106-L130 HydrophobicContact CD2-CD1 3.74Å; Y106-L130 HydrophobicContact CE1-CB 3.84Å; Y106-L130 HydrophobicContact CE1-CD1 4.21Å; Y106-L130 HydrophobicContact CE2-CD1 3.88Å; Y106-L130 HydrophobicContact CG-CD1 3.87Å; L126-L130 HydrophobicContact CD1-CD1 3.97Å; L126-L130 HydrophobicContact CD1-CD2 4.5Å; L126-L130 HydrophobicContact CD1-CG 3.96Å; L126-L130 HydrophobicContact CG-CD1 3.88Å; L126-L130 HydrophobicContact CG-CG 4.33Å; L126-L130 WeakPolarHBondContact O-CG 3.37Å; L126-L130 PolarHBondContact O-N 3.21Å; E127-L130 PolarHBondContact O-N 2.88Å; L130-K132 PolarHBondContact O-N 3.26Å; L130-L133 CarbonylContact O-C 3.56Å; L130-L133 PolarHBondContact O-N 3.49Å; L130-L133 VanDerWaalsContact O-N 3.11Å; L130-G134 PolarHBondContact O-N 3.19Å; L130-A135 HydrophobicContact CB-CB 4.17Å; L130-A135 HydrophobicContact CD2-CB 4.38Å; L130-A135 WeakPolarHBondContact O-CB 3.41Å; L130-A135 PolarHBondContact O-N 3.09Å; L130-A135 VanDerWaalsContact O-N 3.07Å |
| 131 | L | 94.3 | Very high | 94.5 | Very high | 97 Ų | 97 | 41.6 Ų | 41.6 | 51% | 0.508 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.2 | -43.2 | 176.4 | -68.1 | 173.5 | 0 | 0 | 0 | 111.8 | E127 L133 G134 | E127-L131 HydrophobicContact CG-CD1 4.03Å; E127-L131 HydrophobicContact CG-CG 4.45Å; E127-L131 WeakPolarHBondContact O-CG 3.45Å; E127-L131 PolarHBondContact O-N 3.05Å; L131-L133 PolarHBondContact O-N 3.21Å; L131-G134 PolarHBondContact O-N 2.86Å |
| 132 | K | 93 | Very high | 94.6 | Very high | 140 Ų | 140 | 42.1 Ų | 42.1 | 61% | 0.609 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -60.7 | -28.4 | 174.8 | -80.3 | 171.4 | -178.2 | 170.3 | 0 | 113.3 | S128 L129 L130 G134 | S128-K132 WeakPolarHBondContact O-CB 3.33Å; S128-K132 WeakPolarHBondContact O-CD 3.32Å; S128-K132 WeakPolarHBondContact O-CG 2.99Å; S128-K132 PolarHBondContact O-N 3.38Å; S128-K132 VanDerWaalsContact O-N 3.11Å; L129-K132 PolarHBondContact O-N 3.15Å; L130-K132 PolarHBondContact O-N 3.26Å; K132-G134 VanDerWaalsContact C-N 3.33Å |
| 133 | L | 94.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -3.3 | 176.3 | -72.3 | 167.5 | 0 | 0 | 0 | 113 | L91 K94 A95 E99 R100 L101 L129 L130 L131 | L91-L133 HydrophobicContact CB-CD1 4.13Å; L91-L133 HydrophobicContact CD2-CD1 3.72Å; L91-L133 HydrophobicContact CG-CD1 4.44Å; K94-L133 HydrophobicContact CB-CD1 4.27Å; K94-L133 HydrophobicContact CB-CD2 3.74Å; A95-L133 HydrophobicContact CB-CD2 4.11Å; A95-L133 HydrophobicContact CB-CG 4.36Å; E99-L133 WeakPolarHBondContact O-CD2 3.17Å; R100-L133 CarbonylContact C-O 3.45Å; R100-L133 WeakPolarHBondContact CA-O 3.3Å; L101-L133 HydrophobicContact CB-CB 4.25Å; L101-L133 HydrophobicContact CD1-CB 4.05Å; L101-L133 HydrophobicContact CD1-CD1 3.75Å; L101-L133 HydrophobicContact CD1-CG 4.46Å; L101-L133 HydrophobicContact CG-CB 4.1Å; L101-L133 HydrophobicContact CG-CD1 4.42Å; L101-L133 PolarHBondContact N-O 2.83Å; L129-L133 WeakPolarHBondContact O-CB 2.96Å; L129-L133 VanDerWaalsContact O-CG 3.3Å; L129-L133 WeakPolarHBondContact O-CG 3.35Å; L129-L133 PolarHBondContact O-N 3.03Å; L130-L133 CarbonylContact O-C 3.56Å; L130-L133 PolarHBondContact O-N 3.49Å; L130-L133 VanDerWaalsContact O-N 3.11Å; L131-L133 PolarHBondContact O-N 3.21Å |
| 134 | G | 93.1 | Very high | 94.4 | Very high | 24 Ų | 24 | 45 Ų | 45 | 25% | 0.247 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | 7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E102 L130 L131 K132 | E102-G134 WeakPolarHBondContact CA-O 3.25Å; L130-G134 PolarHBondContact O-N 3.19Å; L131-G134 PolarHBondContact O-N 2.86Å; K132-G134 VanDerWaalsContact C-N 3.33Å |
| 135 | A | 94.7 | Very high | 93.9 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 3% | 0.033 | 21% | 0.213 | C | C | . | . | trans | -65.7 | 148.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | L101 L104 Y106 L130 | L101-A135 HydrophobicContact CB-CB 4.2Å; L101-A135 VanDerWaalsContact O-CA 3.31Å; L101-A135 WeakPolarHBondContact O-CA 3.37Å; L104-A135 HydrophobicContact CB-CB 4.07Å; L104-A135 HydrophobicContact CD2-CB 3.96Å; L104-A135 HydrophobicContact CG-CB 4.11Å; L104-A135 WeakPolarHBondContact O-CA 3.39Å; Y106-A135 HydrophobicContact CD1-CB 3.89Å; Y106-A135 HydrophobicContact CE1-CB 4.14Å; L130-A135 HydrophobicContact CB-CB 4.17Å; L130-A135 HydrophobicContact CD2-CB 4.38Å; L130-A135 WeakPolarHBondContact O-CB 3.41Å; L130-A135 PolarHBondContact O-N 3.09Å; L130-A135 VanDerWaalsContact O-N 3.07Å | ||
| 136 | R | 92.6 | Very high | 93.1 | Very high | 146 Ų | 146 | 39.7 Ų | 39.7 | 55% | 0.551 | 21% | 0.21 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 124.3 | -173.3 | -60.7 | -179.7 | -173.3 | -176 | 2.3 | 110.4 | M13 L104 N105 Y106 F138 | M13-R136 HydrophobicContact CE-CB 4.19Å; L104-R136 PolarHBondContact O-N 3.11Å; N105-R136 CarbonylContact C-O 3.46Å; N105-R136 VanDerWaalsContact CA-O 3.28Å; N105-R136 WeakPolarHBondContact CA-O 3.4Å; Y106-R136 WeakPolarHBondContact CD1-O 3.45Å; Y106-R136 PolarHBondContact N-O 3.31Å; R136-F138 PolarHBondContact O-N 2.99Å |
| 137 | S | 93.7 | Very high | 92 | Very high | 50 Ų | 50 | 40.2 Ų | 40.2 | 35% | 0.35 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 123.2 | 167.5 | 172.1 | 0 | 0 | 0 | 0 | 108.6 | Y106 F139 | Y106-S137 VanDerWaalsContact O-CA 3.3Å; Y106-S137 WeakPolarHBondContact O-CA 3.36Å; S137-F139 PolarHBondContact OG-O 3.27Å |
| 138 | F | 91.6 | Very high | 90.8 | Very high | 9 Ų | 9 | 39 Ų | 39 | 4% | 0.039 | 21% | 0.21 | C | C | . | . | trans | -101.8 | -14.3 | 175.4 | 73.9 | -92.5 | 0 | 0 | 0 | 112.8 | M13 V15 L69 N105 Y106 A107 R136 I161 L165 | M13-F138 HydrophobicContact CE-CB 4.03Å; V15-F138 HydrophobicContact CG2-CD2 4.15Å; V15-F138 HydrophobicContact CG2-CE2 4.37Å; V15-F138 HydrophobicContact CG2-CG 4.32Å; L69-F138 HydrophobicContact CD2-CE1 4.03Å; L69-F138 HydrophobicContact CD2-CZ 3.57Å; N105-F138 HydrophobicContact CB-CB 4.46Å; N105-F138 HydrophobicContact CB-CD1 3.78Å; N105-F138 HydrophobicContact CB-CG 4.47Å; Y106-F138 WeakPolarHBondContact O-CD1 3.24Å; Y106-F138 PolarHBondContact O-N 2.61Å; A107-F138 HydrophobicContact CB-CE1 3.91Å; A107-F138 HydrophobicContact CB-CE2 4.5Å; A107-F138 HydrophobicContact CB-CZ 3.86Å; R136-F138 PolarHBondContact O-N 2.99Å; F138-I161 HydrophobicContact CE2-CD1 4.37Å; F138-I161 HydrophobicContact CE2-CG1 4.41Å; F138-I161 HydrophobicContact CZ-CD1 4.2Å; F138-L165 HydrophobicContact CE2-CD2 4Å; F138-L165 HydrophobicContact CZ-CD2 4.17Å | ||
| 139 | F | 92.7 | Very high | 89.6 | Confident | 8 Ų | 8 | 36.7 Ų | 36.7 | 4% | 0.035 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -139.3 | 140.5 | 179.5 | -165.9 | -95.5 | 0 | 0 | 0 | 109.5 | L8 A107 S137 T141 W157 D160 I161 C164 | L8-F139 HydrophobicContact CB-CE2 4.33Å; A107-F139 HydrophobicContact CB-CB 3.85Å; S137-F139 PolarHBondContact OG-O 3.27Å; F139-T141 PolarHBondContact O-N 3.27Å; F139-W157 AromaticContact CD1-CE2 3.96Å; F139-W157 HydrophobicContact CD1-CZ2 4.3Å; F139-W157 AromaticContact CD1-NE1 3.54Å; F139-W157 AromaticContact CE1-CD1 3.63Å; F139-W157 HydrophobicContact CE1-CD2 4.49Å; F139-W157 HydrophobicContact CE1-CG 4.26Å; F139-W157 AromaticContact CE1-NE1 3.51Å; F139-D160 HydrophobicContact CE2-CB 4.37Å; F139-D160 HydrophobicContact CZ-CB 3.69Å; F139-I161 HydrophobicContact CB-CD1 4.13Å; F139-I161 HydrophobicContact CB-CG1 4.37Å; F139-I161 HydrophobicContact CD1-CB 4.15Å; F139-I161 HydrophobicContact CD1-CD1 4Å; F139-I161 HydrophobicContact CD1-CG1 4.11Å; F139-I161 HydrophobicContact CD2-CB 4.48Å; F139-I161 HydrophobicContact CD2-CG1 4.23Å; F139-I161 HydrophobicContact CE1-CB 4.04Å; F139-I161 HydrophobicContact CE1-CG1 4.5Å; F139-I161 HydrophobicContact CE2-CB 4.38Å; F139-I161 HydrophobicContact CG-CB 4.36Å; F139-I161 HydrophobicContact CG-CD1 4.06Å; F139-I161 HydrophobicContact CG-CG1 3.97Å; F139-I161 HydrophobicContact CZ-CB 4.18Å; F139-C164 HydrophobicContact CD2-CB 4.18Å; F139-C164 HydrophobicContact CE2-CB 4.15Å |
| 140 | P | 93.7 | Very high | 88.7 | Confident | 62 Ų | 62 | 36.2 Ų | 36.2 | 40% | 0.403 | 19% | 0.192 | S | C | . | . | trans | -53.1 | 130.8 | -176.6 | -27.9 | 34.9 | 0 | 0 | 0 | 112.9 | L8 W157 | L8-P140 HydrophobicContact CD2-CG 4.49Å; L8-P140 VanDerWaalsContact O-CD 3.32Å; L8-P140 WeakPolarHBondContact O-CD 3.47Å; P140-W157 PolarHBondContact O-NE1 3.05Å | ||
| 141 | T | 96.2 | Very high | 87.6 | Confident | 31 Ų | 31 | 37.4 Ų | 37.4 | 19% | 0.19 | 20% | 0.198 | C | C | . | . | trans | -65.4 | 133.4 | 170.6 | -62.2 | 0 | 0 | 0 | 0 | 109.3 | L108 E127 F139 F143 | L108-T141 HydrophobicContact CB-CG2 3.96Å; L108-T141 HydrophobicContact CD2-CG2 3.87Å; L108-T141 HydrophobicContact CG-CG2 3.93Å; L108-T141 VanDerWaalsContact O-CA 3.31Å; L108-T141 WeakPolarHBondContact O-CA 3.46Å; E127-T141 VanDerWaalsContact OE1-CB 3.26Å; E127-T141 WeakPolarHBondContact OE1-CB 3.48Å; E127-T141 PolarHBondContact OE1-OG1 2.87Å; F139-T141 PolarHBondContact O-N 3.27Å; T141-F143 HydrophobicContact CG2-CE1 3.82Å; T141-F143 HydrophobicContact CG2-CE2 4.09Å; T141-F143 HydrophobicContact CG2-CZ 3.55Å | ||
| 142 | A | 95.2 | Very high | 86.8 | Confident | 18 Ų | 18 | 34.4 Ų | 34.4 | 15% | 0.149 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 147.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L108 L109 G110 V153 W157 | L108-A142 PolarHBondContact O-N 3.13Å; L109-A142 WeakPolarHBondContact CA-O 3.47Å; L109-A142 HydrophobicContact CD1-CB 3.86Å; G110-A142 PolarHBondContact N-O 3.04Å; A142-V153 HydrophobicContact CB-CG1 3.7Å; A142-W157 HydrophobicContact CB-CG 4Å |
| 143 | F | 95.6 | Very high | 86.4 | Confident | 60 Ų | 60 | 29.9 Ų | 29.9 | 26% | 0.263 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 111.8 | 179.6 | -61.2 | -63.3 | 0 | 0 | 0 | 109.2 | G110 F119 C120 P123 K124 T141 | G110-F143 CarbonylContact O-C 3.55Å; G110-F143 WeakPolarHBondContact O-CA 3.37Å; F119-F143 HydrophobicContact CE1-CB 4.1Å; F119-F143 HydrophobicContact CZ-CB 4.08Å; C120-F143 HydrophobicContact CB-CB 4.39Å; C120-F143 HydrophobicContact CB-CD1 3.67Å; C120-F143 HydrophobicContact CB-CE1 4.27Å; C120-F143 HydrophobicContact CB-CG 4.17Å; P123-F143 HydrophobicContact CB-CD1 4.2Å; P123-F143 HydrophobicContact CB-CE1 3.82Å; K124-F143 HydrophobicContact CG-CE1 3.91Å; K124-F143 HydrophobicContact CG-CE2 4.41Å; K124-F143 HydrophobicContact CG-CZ 3.72Å; T141-F143 HydrophobicContact CG2-CE1 3.82Å; T141-F143 HydrophobicContact CG2-CE2 4.09Å; T141-F143 HydrophobicContact CG2-CZ 3.55Å |
| 144 | C | 89.1 | Confident | 85.9 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 137.1 | 170.7 | -57.1 | 0 | 0 | 0 | 0 | 110.1 | L109 G110 L111 G112 T150 V153 | L109-C144 VanDerWaalsContact CD1-SG 3.57Å; G110-C144 PolarHBondContact O-N 3.4Å; L111-C144 HydrophobicContact CG-CB 4.21Å; G112-C144 PolarHBondContact N-O 3.47Å; G112-C144 VanDerWaalsContact N-O 3.16Å; C144-T150 HydrophobicContact CB-CG2 3.43Å; C144-T150 VanDerWaalsContact CB-CG2 3.43Å; C144-T150 PolarHBondContact SG-O 2.93Å; C144-T150 VanDerWaalsContact SG-O 3.41Å; C144-V153 HydrophobicContact CB-CB 4.45Å |
| 145 | D | 85.3 | Confident | 85.5 | Confident | 21 Ų | 21 | 31.6 Ų | 31.6 | 11% | 0.112 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 114.8 | 174 | -170 | -2.4 | 0 | 0 | 0 | 110.3 | G112 S114 F119 A147 V148 G149 | G112-D145 CarbonylContact O-C 3.28Å; G112-D145 WeakPolarHBondContact O-CA 3.4Å; S114-D145 WeakPolarHBondContact CB-OD2 3.36Å; S114-D145 PolarHBondContact N-OD1 2.7Å; S114-D145 PolarHBondContact OG-OD1 3.16Å; S114-D145 PolarHBondContact OG-OD2 3.32Å; F119-D145 HydrophobicContact CE2-CB 3.85Å; F119-D145 HydrophobicContact CZ-CB 3.87Å; D145-A147 PolarHBondContact O-N 3.04Å; D145-A147 WeakPolarHBondContact OD1-CB 3.11Å; D145-A147 PolarHBondContact OD1-N 3.21Å; D145-V148 HydrophobicContact CB-CB 4.18Å; D145-V148 HydrophobicContact CB-CG2 3.93Å; D145-V148 PolarHBondContact O-N 3.48Å; D145-V148 VanDerWaalsContact O-N 3.13Å; D145-V148 WeakPolarHBondContact OD2-CG2 3.48Å; D145-G149 CarbonylContact O-C 3.56Å; D145-G149 PolarHBondContact O-N 3.02Å |
| 146 | D | 79.3 | Confident | 85 | Confident | 53 Ų | 53 | 32.9 Ų | 32.9 | 28% | 0.283 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -26.3 | 178 | -73.4 | -22 | 0 | 0 | 0 | 112.1 | G112 D113 V148 T150 R475 | G112-D146 PolarHBondContact O-N 3.41Å; D113-D146 HydrophobicContact CB-CB 4.15Å; D146-V148 PolarHBondContact O-N 3.33Å; D146-T150 PolarHBondContact OD1-OG1 2.9Å; D146-R475 IonicContact OD1-NH1 2.71Å; D146-R475 PolarHBondContact OD1-NH1 2.83Å; D146-R475 VanDerWaalsContact OD1-NH1 3.09Å |
| 147 | A | 72.7 | Confident | 85 | Confident | 11 Ų | 11 | 26.5 Ų | 26.5 | 9% | 0.091 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -23.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | N115 D145 | N115-A147 WeakPolarHBondContact ND2-CB 3.45Å; D145-A147 PolarHBondContact O-N 3.04Å; D145-A147 WeakPolarHBondContact OD1-CB 3.11Å; D145-A147 PolarHBondContact OD1-N 3.21Å |
| 148 | V | 72.7 | Confident | 84.9 | Confident | 20 Ų | 20 | 25.2 Ų | 25.2 | 12% | 0.121 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -38.4 | -175.8 | -177.8 | 0 | 0 | 0 | 0 | 111.2 | D145 D146 Q266 L412 | D145-V148 HydrophobicContact CB-CB 4.18Å; D145-V148 HydrophobicContact CB-CG2 3.93Å; D145-V148 PolarHBondContact O-N 3.48Å; D145-V148 VanDerWaalsContact O-N 3.13Å; D145-V148 WeakPolarHBondContact OD2-CG2 3.48Å; D146-V148 PolarHBondContact O-N 3.33Å; V148-Q266 HydrophobicContact CG1-CB 4.2Å; V148-Q266 WeakPolarHBondContact CG1-O 3.44Å; V148-Q266 HydrophobicContact CG2-CB 4.42Å; V148-L412 HydrophobicContact CB-CD2 4.16Å; V148-L412 HydrophobicContact CG1-CD2 4.32Å; V148-L412 HydrophobicContact CG2-CD2 3.77Å |
| 149 | G | 70.8 | Confident | 84.8 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | trans | 128.6 | 110.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111 | D145 D151 T152 | D145-G149 CarbonylContact O-C 3.56Å; D145-G149 PolarHBondContact O-N 3.02Å; G149-D151 PolarHBondContact O-N 2.78Å; G149-D151 VanDerWaalsContact O-N 3.15Å; G149-T152 WeakPolarHBondContact O-CB 3.39Å; G149-T152 WeakPolarHBondContact O-CG2 3.47Å; G149-T152 PolarHBondContact O-N 3.3Å; G149-T152 VanDerWaalsContact O-N 3.14Å; G149-T152 PolarHBondContact O-OG1 3.16Å | ||
| 150 | T | 75.9 | Confident | 84.7 | Confident | 4 Ų | 4 | 29.3 Ų | 29.3 | 3% | 0.025 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -36.9 | -174 | -37.1 | 0 | 0 | 0 | 0 | 113.8 | I33 L111 C144 D146 T152 V153 A154 R475 | I33-T150 HydrophobicContact CD1-CG2 3.78Å; L111-T150 HydrophobicContact CD2-CG2 3.84Å; L111-T150 HydrophobicContact CG-CG2 3.82Å; C144-T150 HydrophobicContact CB-CG2 3.43Å; C144-T150 VanDerWaalsContact CB-CG2 3.43Å; C144-T150 PolarHBondContact SG-O 2.93Å; C144-T150 VanDerWaalsContact SG-O 3.41Å; D146-T150 PolarHBondContact OD1-OG1 2.9Å; T150-T152 VanDerWaalsContact C-N 3.31Å; T150-T152 PolarHBondContact O-N 3.21Å; T150-V153 PolarHBondContact O-N 3.04Å; T150-A154 VanDerWaalsContact O-CB 3.25Å; T150-A154 WeakPolarHBondContact O-CB 3.36Å; T150-A154 PolarHBondContact O-N 2.92Å; T150-R475 VanDerWaalsContact OG1-CZ 3.24Å; T150-R475 PolarHBondContact OG1-NH1 3.48Å; T150-R475 PolarHBondContact OG1-NH2 2.93Å |
| 151 | D | 73.4 | Confident | 84.7 | Confident | 25 Ų | 25 | 26.3 Ų | 26.3 | 13% | 0.134 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.2 | -30.7 | -177.5 | 50.9 | -70.9 | 0 | 0 | 0 | 113.2 | G149 V153 A154 E155 R380 V382 R475 | G149-D151 PolarHBondContact O-N 2.78Å; G149-D151 VanDerWaalsContact O-N 3.15Å; D151-V153 PolarHBondContact O-N 3.43Å; D151-V153 VanDerWaalsContact O-N 3.11Å; D151-A154 PolarHBondContact O-N 3.34Å; D151-E155 HydrophobicContact CB-CG 4.26Å; D151-E155 WeakPolarHBondContact O-CB 3.25Å; D151-E155 PolarHBondContact O-N 3.45Å; D151-R380 IonicContact OD1-CZ 3.13Å; D151-R380 IonicContact OD1-NE 3.98Å; D151-R380 IonicContact OD1-NH2 2.69Å; D151-R380 PolarHBondContact OD1-NH2 2.79Å; D151-R380 WeakPolarHBondContact OD2-CG 3.41Å; D151-R380 IonicContact OD2-CZ 3.44Å; D151-R380 IonicContact OD2-NE 3.08Å; D151-R380 PolarHBondContact OD2-NE 3.02Å; D151-R380 IonicContact OD2-NH2 3.1Å; D151-R380 PolarHBondContact OD2-NH2 2.73Å; D151-V382 WeakPolarHBondContact OD2-CG2 3.44Å; D151-R475 IonicContact OD1-NH2 3.4Å |
| 152 | T | 76.7 | Confident | 84.3 | Confident | 35 Ų | 35 | 24.9 Ų | 24.9 | 22% | 0.215 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.1 | -31.1 | 177.2 | 61.3 | 0 | 0 | 0 | 0 | 112.9 | G149 T150 P156 R380 | G149-T152 WeakPolarHBondContact O-CB 3.39Å; G149-T152 WeakPolarHBondContact O-CG2 3.47Å; G149-T152 PolarHBondContact O-N 3.3Å; G149-T152 VanDerWaalsContact O-N 3.14Å; G149-T152 PolarHBondContact O-OG1 3.16Å; T150-T152 VanDerWaalsContact C-N 3.31Å; T150-T152 PolarHBondContact O-N 3.21Å; T152-P156 WeakPolarHBondContact O-CD 3.42Å; T152-P156 WeakPolarHBondContact O-CG 3.26Å; T152-R380 HydrophobicContact CG2-CB 4.01Å; T152-R380 HydrophobicContact CG2-CG 3.64Å |
| 153 | V | 85.3 | Confident | 84 | Confident | 44 Ų | 44 | 28 Ų | 28 | 27% | 0.267 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -104.9 | -42.7 | 178 | 178.1 | 0 | 0 | 0 | 0 | 110.8 | L109 A142 C144 T150 D151 W157 | L109-V153 HydrophobicContact CD1-CG1 4.33Å; A142-V153 HydrophobicContact CB-CG1 3.7Å; C144-V153 HydrophobicContact CB-CB 4.45Å; T150-V153 PolarHBondContact O-N 3.04Å; D151-V153 PolarHBondContact O-N 3.43Å; D151-V153 VanDerWaalsContact O-N 3.11Å; V153-W157 WeakPolarHBondContact O-CB 3.25Å; V153-W157 PolarHBondContact O-N 2.82Å; V153-W157 VanDerWaalsContact O-N 3.12Å |
| 154 | A | 84.4 | Confident | 83.6 | Confident | 2 Ų | 2 | 25.7 Ų | 25.7 | 2% | 0.017 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.6 | -45.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I33 L109 T150 D151 W157 M158 | I33-A154 HydrophobicContact CD1-CB 4.06Å; I33-A154 HydrophobicContact CG2-CB 4.46Å; L109-A154 HydrophobicContact CD2-CB 3.98Å; T150-A154 VanDerWaalsContact O-CB 3.25Å; T150-A154 WeakPolarHBondContact O-CB 3.36Å; T150-A154 PolarHBondContact O-N 2.92Å; D151-A154 PolarHBondContact O-N 3.34Å; A154-W157 PolarHBondContact O-N 3.48Å; A154-M158 WeakPolarHBondContact O-CB 3.17Å; A154-M158 VanDerWaalsContact O-CG 3.22Å; A154-M158 WeakPolarHBondContact O-CG 3.34Å; A154-M158 PolarHBondContact O-N 2.96Å |
| 155 | E | 83.4 | Confident | 83.6 | Confident | 59 Ų | 59 | 25.8 Ų | 25.8 | 28% | 0.276 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -66.5 | -50.5 | -176.4 | -67.2 | -166.9 | -171.5 | 0 | 0 | 112.8 | D151 W157 M158 A159 | D151-E155 HydrophobicContact CB-CG 4.26Å; D151-E155 WeakPolarHBondContact O-CB 3.25Å; D151-E155 PolarHBondContact O-N 3.45Å; E155-W157 VanDerWaalsContact C-N 3.31Å; E155-W157 PolarHBondContact O-N 3.23Å; E155-M158 HydrophobicContact CG-CE 4.29Å; E155-M158 PolarHBondContact O-N 3.38Å; E155-A159 PolarHBondContact O-N 2.96Å |
| 156 | P | 85.7 | Confident | 83.5 | Confident | 30 Ų | 30 | 29.3 Ų | 29.3 | 20% | 0.195 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.5 | -42.1 | 174.9 | -23.2 | 34.5 | 0 | 0 | 0 | 112.2 | T152 M158 A159 D160 | T152-P156 WeakPolarHBondContact O-CD 3.42Å; T152-P156 WeakPolarHBondContact O-CG 3.26Å; P156-M158 PolarHBondContact O-N 2.87Å; P156-A159 PolarHBondContact O-N 3.2Å; P156-D160 WeakPolarHBondContact O-CB 3.46Å; P156-D160 PolarHBondContact O-N 3.49Å |
| 157 | W | 92.6 | Very high | 83.5 | Confident | 12 Ų | 12 | 31.3 Ų | 31.3 | 5% | 0.045 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62 | -44 | 179.1 | -173.8 | 92.6 | 0 | 0 | 0 | 112.2 | L37 A107 L109 F139 P140 A142 V153 A154 E155 D160 I161 | L37-W157 HydrophobicContact CD2-CZ3 3.97Å; A107-W157 HydrophobicContact CB-CH2 4.19Å; A107-W157 HydrophobicContact CB-CZ2 3.82Å; L109-W157 HydrophobicContact CB-CD2 4.2Å; L109-W157 HydrophobicContact CB-CE3 4.02Å; L109-W157 HydrophobicContact CB-CH2 3.98Å; L109-W157 HydrophobicContact CB-CZ2 4.14Å; L109-W157 HydrophobicContact CB-CZ3 3.92Å; L109-W157 HydrophobicContact CD1-CB 4.24Å; L109-W157 HydrophobicContact CD1-CD2 3.95Å; L109-W157 HydrophobicContact CD1-CE3 4.23Å; L109-W157 HydrophobicContact CD1-CG 3.96Å; L109-W157 HydrophobicContact CD2-CE3 3.98Å; L109-W157 HydrophobicContact CD2-CZ3 4.33Å; L109-W157 HydrophobicContact CG-CD2 4.46Å; L109-W157 HydrophobicContact CG-CE3 4.32Å; F139-W157 AromaticContact CD1-CE2 3.96Å; F139-W157 HydrophobicContact CD1-CZ2 4.3Å; F139-W157 AromaticContact CD1-NE1 3.54Å; F139-W157 AromaticContact CE1-CD1 3.63Å; F139-W157 HydrophobicContact CE1-CD2 4.49Å; F139-W157 HydrophobicContact CE1-CG 4.26Å; F139-W157 AromaticContact CE1-NE1 3.51Å; P140-W157 PolarHBondContact O-NE1 3.05Å; A142-W157 HydrophobicContact CB-CG 4Å; V153-W157 WeakPolarHBondContact O-CB 3.25Å; V153-W157 PolarHBondContact O-N 2.82Å; V153-W157 VanDerWaalsContact O-N 3.12Å; A154-W157 PolarHBondContact O-N 3.48Å; E155-W157 VanDerWaalsContact C-N 3.31Å; E155-W157 PolarHBondContact O-N 3.23Å; W157-D160 PolarHBondContact O-N 3.03Å; W157-I161 HydrophobicContact CE3-CG2 4.12Å; W157-I161 HydrophobicContact CH2-CD1 3.66Å; W157-I161 HydrophobicContact CH2-CG2 4.44Å; W157-I161 HydrophobicContact CZ2-CD1 3.78Å; W157-I161 HydrophobicContact CZ3-CD1 4.27Å; W157-I161 HydrophobicContact CZ3-CG2 4Å; W157-I161 WeakPolarHBondContact O-CB 3.4Å; W157-I161 VanDerWaalsContact O-CG2 3.27Å; W157-I161 WeakPolarHBondContact O-CG2 3.11Å; W157-I161 PolarHBondContact O-N 3.36Å |
| 158 | M | 90.8 | Very high | 83.4 | Confident | 24 Ų | 24 | 33.6 Ų | 33.6 | 12% | 0.118 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.4 | -42.1 | 175.9 | -74.5 | -172.7 | -62 | 0 | 0 | 112 | I33 L36 L37 A154 E155 P156 I161 A162 | I33-M158 HydrophobicContact CG2-CE 4.46Å; I33-M158 HydrophobicContact CG2-SD 3.74Å; L36-M158 HydrophobicContact CB-SD 4.5Å; L37-M158 HydrophobicContact CB-CG 4.31Å; L37-M158 HydrophobicContact CB-SD 4.01Å; L37-M158 HydrophobicContact CD1-CB 4.21Å; L37-M158 HydrophobicContact CD1-CG 4.1Å; A154-M158 WeakPolarHBondContact O-CB 3.17Å; A154-M158 VanDerWaalsContact O-CG 3.22Å; A154-M158 WeakPolarHBondContact O-CG 3.34Å; A154-M158 PolarHBondContact O-N 2.96Å; E155-M158 HydrophobicContact CG-CE 4.29Å; E155-M158 PolarHBondContact O-N 3.38Å; P156-M158 PolarHBondContact O-N 2.87Å; M158-I161 WeakPolarHBondContact O-CG2 3.29Å; M158-A162 WeakPolarHBondContact O-CB 3.28Å; M158-A162 PolarHBondContact O-N 3.25Å |
| 159 | A | 88.6 | Confident | 82.8 | Confident | 39 Ų | 39 | 36.4 Ų | 36.4 | 32% | 0.322 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.7 | -47.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E155 P156 A162 N163 | E155-A159 PolarHBondContact O-N 2.96Å; P156-A159 PolarHBondContact O-N 3.2Å; A159-A162 PolarHBondContact O-N 3.12Å; A159-N163 PolarHBondContact O-N 3.34Å; A159-N163 PolarHBondContact O-ND2 3.46Å |
| 160 | D | 92 | Very high | 81.5 | Confident | 63 Ų | 63 | 43.7 Ų | 43.7 | 34% | 0.337 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.8 | -40.3 | -176.8 | -69.3 | -17.1 | 0 | 0 | 0 | 111.8 | F139 P156 W157 N163 C164 | F139-D160 HydrophobicContact CE2-CB 4.37Å; F139-D160 HydrophobicContact CZ-CB 3.69Å; P156-D160 WeakPolarHBondContact O-CB 3.46Å; P156-D160 PolarHBondContact O-N 3.49Å; W157-D160 PolarHBondContact O-N 3.03Å; D160-N163 PolarHBondContact O-N 3.41Å; D160-C164 PolarHBondContact O-N 2.87Å |
| 161 | I | 92.2 | Very high | 79.2 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -70.3 | -38.2 | 176.6 | -160.2 | 169.8 | 0 | 0 | 0 | 111.9 | L37 L69 A107 F138 F139 W157 M158 N163 C164 L165 | L37-I161 HydrophobicContact CD1-CG2 4.01Å; L69-I161 HydrophobicContact CD1-CD1 4.33Å; L69-I161 HydrophobicContact CD2-CD1 3.78Å; A107-I161 HydrophobicContact CB-CD1 3.31Å; F138-I161 HydrophobicContact CE2-CD1 4.37Å; F138-I161 HydrophobicContact CE2-CG1 4.41Å; F138-I161 HydrophobicContact CZ-CD1 4.2Å; F139-I161 HydrophobicContact CB-CD1 4.13Å; F139-I161 HydrophobicContact CB-CG1 4.37Å; F139-I161 HydrophobicContact CD1-CB 4.15Å; F139-I161 HydrophobicContact CD1-CD1 4Å; F139-I161 HydrophobicContact CD1-CG1 4.11Å; F139-I161 HydrophobicContact CD2-CB 4.48Å; F139-I161 HydrophobicContact CD2-CG1 4.23Å; F139-I161 HydrophobicContact CE1-CB 4.04Å; F139-I161 HydrophobicContact CE1-CG1 4.5Å; F139-I161 HydrophobicContact CE2-CB 4.38Å; F139-I161 HydrophobicContact CG-CB 4.36Å; F139-I161 HydrophobicContact CG-CD1 4.06Å; F139-I161 HydrophobicContact CG-CG1 3.97Å; F139-I161 HydrophobicContact CZ-CB 4.18Å; W157-I161 HydrophobicContact CE3-CG2 4.12Å; W157-I161 HydrophobicContact CH2-CD1 3.66Å; W157-I161 HydrophobicContact CH2-CG2 4.44Å; W157-I161 HydrophobicContact CZ2-CD1 3.78Å; W157-I161 HydrophobicContact CZ3-CD1 4.27Å; W157-I161 HydrophobicContact CZ3-CG2 4Å; W157-I161 WeakPolarHBondContact O-CB 3.4Å; W157-I161 VanDerWaalsContact O-CG2 3.27Å; W157-I161 WeakPolarHBondContact O-CG2 3.11Å; W157-I161 PolarHBondContact O-N 3.36Å; M158-I161 WeakPolarHBondContact O-CG2 3.29Å; I161-N163 PolarHBondContact O-N 3.09Å; I161-C164 PolarHBondContact O-N 2.54Å; I161-L165 HydrophobicContact CG1-CD1 4.16Å; I161-L165 HydrophobicContact CG1-CG 4.45Å; I161-L165 WeakPolarHBondContact O-CB 3.4Å; I161-L165 WeakPolarHBondContact O-CG 3.18Å; I161-L165 PolarHBondContact O-N 3.13Å |
| 162 | A | 89.1 | Confident | 77.2 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.008 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.9 | -32 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L41 K44 M158 A159 E166 | L41-A162 HydrophobicContact CD2-CB 3.9Å; K44-A162 HydrophobicContact CD-CB 4.29Å; K44-A162 VanDerWaalsContact NZ-C 3.34Å; K44-A162 PolarHBondContact NZ-O 3.48Å; K44-A162 VanDerWaalsContact NZ-O 3.08Å; M158-A162 WeakPolarHBondContact O-CB 3.28Å; M158-A162 PolarHBondContact O-N 3.25Å; A159-A162 PolarHBondContact O-N 3.12Å; A162-E166 WeakPolarHBondContact O-CB 3.49Å; A162-E166 PolarHBondContact O-N 2.83Å; A162-E166 VanDerWaalsContact O-N 3.16Å |
| 163 | N | 88.5 | Confident | 74.8 | Confident | 84 Ų | 84 | 57.5 Ų | 57.5 | 45% | 0.449 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -74.8 | -42.5 | 173.6 | -66.4 | -19.9 | 0 | 0 | 0 | 112.1 | K44 A159 D160 I161 L165 E166 S167 | K44-N163 PolarHBondContact NZ-OD1 2.94Å; A159-N163 PolarHBondContact O-N 3.34Å; A159-N163 PolarHBondContact O-ND2 3.46Å; D160-N163 PolarHBondContact O-N 3.41Å; I161-N163 PolarHBondContact O-N 3.09Å; N163-L165 VanDerWaalsContact C-N 3.33Å; N163-L165 PolarHBondContact O-N 3.27Å; N163-E166 PolarHBondContact O-N 2.92Å; N163-S167 PolarHBondContact O-N 3.46Å |
| 164 | C | 87.6 | Confident | 72.1 | Confident | 10 Ų | 10 | 60.8 Ų | 60.8 | 7% | 0.068 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.5 | -43.4 | 174.6 | 163.2 | 0 | 0 | 0 | 0 | 110.7 | C9 F139 D160 I161 S167 Q168 | C9-C164 HydrophobicContact CB-CB 3.95Å; C9-C164 WeakPolarHBondContact CB-SG 3.49Å; C9-C164 WeakPolarHBondContact SG-CB 2.86Å; C9-C164 CovalentContact SG-SG 2.08Å; C9-C164 PolarHBondContact SG-SG 2.79Å; F139-C164 HydrophobicContact CD2-CB 4.18Å; F139-C164 HydrophobicContact CE2-CB 4.15Å; D160-C164 PolarHBondContact O-N 2.87Å; I161-C164 PolarHBondContact O-N 2.54Å; C164-S167 PolarHBondContact O-N 3.17Å; C164-S167 PolarHBondContact O-OG 2.73Å; C164-Q168 WeakPolarHBondContact O-CG 3.39Å |
| 165 | L | 88.2 | Confident | 69.3 | Low | 3 Ų | 3 | 67.6 Ų | 67.6 | 2% | 0.016 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -70.2 | -38.6 | 178.6 | -69.4 | 168.3 | 0 | 0 | 0 | 113.5 | V15 I19 L41 L46 L69 F138 I161 N163 S167 Q168 | V15-L165 HydrophobicContact CB-CD2 4.34Å; V15-L165 HydrophobicContact CG1-CD2 3.89Å; V15-L165 HydrophobicContact CG2-CD2 4.33Å; I19-L165 HydrophobicContact CD1-CD1 4.1Å; I19-L165 HydrophobicContact CD1-CD2 4.19Å; L41-L165 HydrophobicContact CD1-CD1 4.41Å; L41-L165 HydrophobicContact CD2-CD1 3.78Å; L46-L165 HydrophobicContact CD1-CB 3.97Å; L69-L165 HydrophobicContact CD1-CD1 3.95Å; L69-L165 HydrophobicContact CD2-CD1 4.42Å; F138-L165 HydrophobicContact CE2-CD2 4Å; F138-L165 HydrophobicContact CZ-CD2 4.17Å; I161-L165 HydrophobicContact CG1-CD1 4.16Å; I161-L165 HydrophobicContact CG1-CG 4.45Å; I161-L165 WeakPolarHBondContact O-CB 3.4Å; I161-L165 WeakPolarHBondContact O-CG 3.18Å; I161-L165 PolarHBondContact O-N 3.13Å; N163-L165 VanDerWaalsContact C-N 3.33Å; N163-L165 PolarHBondContact O-N 3.27Å; L165-S167 VanDerWaalsContact C-N 3.35Å; L165-Q168 PolarHBondContact O-N 2.85Å |
| 166 | E | 83.2 | Confident | 66.5 | Low | 94 Ų | 94 | 73.3 Ų | 73.3 | 44% | 0.439 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 175.3 | -177.3 | 176.2 | -154.1 | 0 | 0 | 111.8 | K44 A162 N163 Q168 V169 | K44-E166 HydrophobicContact CD-CB 4.15Å; K44-E166 HydrophobicContact CD-CG 4.44Å; K44-E166 WeakPolarHBondContact CE-OE2 3.3Å; K44-E166 IonicContact NZ-OE2 3.7Å; K44-E166 PolarHBondContact NZ-OE2 2.66Å; A162-E166 WeakPolarHBondContact O-CB 3.49Å; A162-E166 PolarHBondContact O-N 2.83Å; A162-E166 VanDerWaalsContact O-N 3.16Å; N163-E166 PolarHBondContact O-N 2.92Å; E166-Q168 PolarHBondContact O-N 3.37Å; E166-V169 PolarHBondContact O-N 3.2Å |
| 167 | S | 79.3 | Confident | 63.7 | Low | 96 Ų | 96 | 81.1 Ų | 81.1 | 67% | 0.671 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -13.1 | 179.1 | 72.8 | 0 | 0 | 0 | 0 | 114.6 | N163 C164 L165 | N163-S167 PolarHBondContact O-N 3.46Å; C164-S167 PolarHBondContact O-N 3.17Å; C164-S167 PolarHBondContact O-OG 2.73Å; L165-S167 VanDerWaalsContact C-N 3.35Å |
| 168 | Q | 70.6 | Confident | 60.4 | Low | 59 Ų | 59 | 92.2 Ų | 92.2 | 28% | 0.276 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -4.4 | -178.6 | -67.5 | -168.6 | -1 | 0 | 0 | 114.2 | M13 C164 L165 E166 | M13-Q168 PolarHBondContact O-NE2 3.14Å; M13-Q168 VanDerWaalsContact O-NE2 3.16Å; M13-Q168 PolarHBondContact O-OE1 2Å; C164-Q168 WeakPolarHBondContact O-CG 3.39Å; L165-Q168 PolarHBondContact O-N 2.85Å; E166-Q168 PolarHBondContact O-N 3.37Å |
| 169 | V | 60.6 | Low | 57.4 | Low | 78 Ų | 78 | 100.6 Ų | 100.6 | 47% | 0.473 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -109 | 125.4 | -178.5 | 178.5 | 0 | 0 | 0 | 0 | 109.7 | L46 E166 A171 | L46-V169 HydrophobicContact CD2-CB 4.1Å; L46-V169 HydrophobicContact CD2-CG1 4.42Å; L46-V169 HydrophobicContact CD2-CG2 3.46Å; L46-V169 VanDerWaalsContact CD2-CG2 3.46Å; E166-V169 PolarHBondContact O-N 3.2Å; V169-A171 PolarHBondContact O-N 2.88Å |
| 170 | D | 42.6 | Very low | 54.5 | Low | 155 Ų | 155 | 105.4 Ų | 105.4 | 83% | 0.829 | 57% | 0.566 | S | S | * | * | trans | -56.1 | 124 | 171.4 | -74.1 | -46.1 | 0 | 0 | 0 | 109.4 | V172 | D170-V172 PolarHBondContact O-N 3.46Š| ||
| 171 | A | 28.6 | Very low | 51.3 | Low | 104 Ų | 104 | 109 Ų | 109 | 86% | 0.86 | 59% | 0.586 | S | S | * | * | trans | -55.4 | 130.5 | -167 | 0 | 0 | 0 | 0 | 0 | 113.8 | V169 | V169-A171 PolarHBondContact O-N 2.88Š| ||
| 172 | V | 30.6 | Very low | 48.3 | Very low | 130 Ų | 130 | 117.7 Ų | 117.7 | 79% | 0.788 | 63% | 0.631 | S | S | * | * | trans | -118.2 | 136.7 | 166 | -179.7 | 0 | 0 | 0 | 0 | 108.9 | D170 | D170-V172 PolarHBondContact O-N 3.46Š| ||
| 173 | P | 28 | Very low | 45.2 | Very low | 121 Ų | 121 | 124.3 Ų | 124.3 | 79% | 0.786 | 67% | 0.671 | S | S | * | * | trans | -74.6 | 141.7 | -169.6 | -14.8 | 30.4 | 0 | 0 | 0 | 114.8 | ||||
| 174 | S | 26.6 | Very low | 42.2 | Very low | 113 Ų | 113 | 127.2 Ų | 127.2 | 79% | 0.79 | 69% | 0.686 | S | S | * | * | trans | -64.3 | 145.1 | 180 | 42.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 175 | V | 26.9 | Very low | 39.3 | Very low | 145 Ų | 145 | 136.2 Ų | 136.2 | 88% | 0.879 | 73% | 0.727 | S | S | * | * | trans | -124 | 126.4 | 164.7 | 178.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 176 | E | 25.1 | Very low | 36.3 | Very low | 178 Ų | 178 | 141.3 Ų | 141.3 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | -82.6 | 147 | -172.3 | -69.6 | -179.5 | 137.2 | 0 | 0 | 115.1 | ||||
| 177 | K | 25.5 | Very low | 33.6 | Very low | 194 Ų | 194 | 143 Ų | 143 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -2.4 | 139.1 | 152.2 | -63.3 | 175 | 177.9 | 175.7 | 0 | 120.1 | ||||
| 178 | R | 24.1 | Very low | 31.2 | Very low | 246 Ų | 246 | 147.3 Ų | 147.3 | 93% | 0.928 | 80% | 0.795 | S | S | * | * | trans | -147.7 | 127.2 | 138.6 | -97 | -179.6 | -179.2 | 175.9 | -0.6 | 110.4 | ||||
| 179 | F | 26.9 | Very low | 29.3 | Very low | 200 Ų | 200 | 150.2 Ų | 150.2 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | trans | -138 | 125.7 | 169 | -95 | -87.3 | 0 | 0 | 0 | 106.3 | ||||
| 180 | D | 27.4 | Very low | 27.6 | Very low | 139 Ų | 139 | 156.2 Ų | 156.2 | 74% | 0.743 | 84% | 0.842 | S | S | * | * | trans | -154.1 | 115.2 | 165.6 | -84.1 | -41.3 | 0 | 0 | 0 | 106.6 | ||||
| 181 | N | 25.8 | Very low | 26.9 | Very low | 139 Ų | 139 | 153.9 Ų | 153.9 | 74% | 0.743 | 84% | 0.844 | S | S | * | * | 84.9 | 110.2 | 97.8 | -68.1 | -21.4 | 0 | 0 | 0 | 113.7 | |||||
| 182 | L | 28.7 | Very low | 26.8 | Very low | 183 Ų | 183 | 159.1 Ų | 159.1 | 96% | 0.958 | 85% | 0.847 | S | S | * | * | trans | -144.9 | 131.8 | 154.8 | -91.2 | 169.3 | 0 | 0 | 0 | 110.3 | ||||
| 183 | T | 24 | Very low | 26.6 | Very low | 139 Ų | 139 | 156.2 Ų | 156.2 | 85% | 0.853 | 84% | 0.843 | S | S | * | * | trans | -102.6 | 153.1 | -163.6 | -29.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 184 | L | 25.3 | Very low | 26.8 | Very low | 145 Ų | 145 | 156.5 Ų | 156.5 | 76% | 0.759 | 85% | 0.845 | S | S | * | * | trans | -84.6 | 153.8 | -178.4 | -76.4 | 141.9 | 0 | 0 | 0 | 113.7 | ||||
| 185 | E | 28.2 | Very low | 27.1 | Very low | 199 Ų | 199 | 157.2 Ų | 157.2 | 93% | 0.93 | 85% | 0.848 | S | S | * | * | trans | -135.8 | 155.1 | 159.6 | -78.3 | -171.3 | 170.3 | 0 | 0 | 111.7 | ||||
| 186 | S | 24 | Very low | 27.2 | Very low | 111 Ų | 111 | 158.4 Ų | 158.4 | 78% | 0.776 | 85% | 0.849 | S | S | * | * | trans | -107.4 | 156.8 | -155.9 | 49.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 187 | S | 26.8 | Very low | 27.4 | Very low | 128 Ų | 128 | 157.2 Ų | 157.2 | 90% | 0.895 | 85% | 0.848 | S | S | * | * | trans | -174.6 | 162.9 | 143.1 | 38.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 188 | E | 28.4 | Very low | 27.7 | Very low | 188 Ų | 188 | 157.4 Ų | 157.4 | 88% | 0.879 | 85% | 0.852 | S | S | * | * | trans | -91.8 | 171 | -145.4 | -70.9 | 173.1 | 156.7 | 0 | 0 | 118.2 | ||||
| 189 | P | 30.3 | Very low | 27.8 | Very low | 119 Ų | 119 | 154.9 Ų | 154.9 | 77% | 0.773 | 85% | 0.85 | S | S | * | * | trans | -109.9 | 162.5 | -166.8 | 35.7 | -22.2 | 0 | 0 | 0 | 116 | ||||
| 190 | Q | 25.7 | Very low | 27.9 | Very low | 205 Ų | 205 | 151.2 Ų | 151.2 | 96% | 0.958 | 85% | 0.848 | S | S | * | * | trans | -139.6 | 157.1 | 164.9 | -81 | -162.2 | -11.8 | 0 | 0 | 113.7 | ||||
| 191 | A | 28.2 | Very low | 28 | Very low | 105 Ų | 105 | 149.6 Ų | 149.6 | 87% | 0.868 | 85% | 0.848 | S | S | * | * | trans | -94.8 | 167.7 | -147.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 192 | K | 26.3 | Very low | 28 | Very low | 214 Ų | 214 | 149.6 Ų | 149.6 | 93% | 0.93 | 86% | 0.855 | S | S | * | * | trans | -92.3 | 156.9 | -173.7 | -68.9 | 172.7 | 174.1 | 173 | 0 | 114 | ||||
| 193 | G | 26.9 | Very low | 28.2 | Very low | 69 Ų | 69 | 144.3 Ų | 144.3 | 71% | 0.711 | 85% | 0.845 | S | S | * | * | trans | -113 | 167.1 | 163 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 194 | P | 32 | Very low | 28.6 | Very low | 127 Ų | 127 | 147.3 Ų | 147.3 | 83% | 0.825 | 85% | 0.847 | S | S | * | * | trans | -100.7 | 158.8 | -164.6 | 37.9 | -32.1 | 0 | 0 | 0 | 114.4 | ||||
| 195 | P | 32.2 | Very low | 29.5 | Very low | 129 Ų | 129 | 142.6 Ų | 142.6 | 84% | 0.838 | 83% | 0.826 | S | S | * | * | trans | -108.5 | 157.2 | 174.4 | 37.5 | -27.1 | 0 | 0 | 0 | 114.6 | ||||
| 196 | N | 30 | Very low | 30.2 | Very low | 169 Ų | 169 | 134.4 Ų | 134.4 | 90% | 0.904 | 79% | 0.79 | S | S | * | * | trans | -85.6 | 155.6 | -172.4 | -72.3 | -19.9 | 0 | 0 | 0 | 115.6 | ||||
| 197 | D | 29.3 | Very low | 31.6 | Very low | 154 Ų | 154 | 136.6 Ų | 136.6 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | -81.8 | 147.8 | 177.1 | -68.2 | -52.5 | 0 | 0 | 0 | 114.8 | ||||
| 198 | E | 31.2 | Very low | 32.7 | Very low | 197 Ų | 197 | 131.4 Ų | 131.4 | 92% | 0.921 | 74% | 0.744 | S | S | * | * | trans | -136.6 | 134.8 | 162.1 | -78.9 | -173.1 | 170.2 | 0 | 0 | 111.3 | ||||
| 199 | H | 27.1 | Very low | 33.7 | Very low | 193 Ų | 193 | 126.8 Ų | 126.8 | 89% | 0.894 | 73% | 0.728 | S | S | * | * | trans | -79.4 | 156.6 | -175.6 | -64.5 | -68.3 | 0 | 0 | 0 | 114.2 | ||||
| 200 | C | 29.3 | Very low | 34.2 | Very low | 124 Ų | 124 | 124.1 Ų | 124.1 | 84% | 0.838 | 71% | 0.71 | S | S | * | * | trans | -108.1 | 137.7 | -173.7 | -143.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 201 | S | 28.5 | Very low | 34.5 | Very low | 104 Ų | 104 | 115.4 Ų | 115.4 | 73% | 0.727 | 67% | 0.672 | S | S | * | * | trans | -96.1 | 160.6 | 174.5 | -66.5 | 0 | 0 | 0 | 0 | 112 | G203 | S201-G203 PolarHBondContact O-N 3.38Š| ||
| 202 | P | 27 | Very low | 34.8 | Very low | 139 Ų | 139 | 117.2 Ų | 117.2 | 90% | 0.903 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | 125.7 | -169.6 | 2.2 | 13.8 | 0 | 0 | 0 | 111.9 | ||
| 203 | G | 32 | Very low | 35.3 | Very low | 72 Ų | 72 | 115.7 Ų | 115.7 | 74% | 0.742 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 150.8 | -9.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | S201 | S201-G203 PolarHBondContact O-N 3.38Š|
| 204 | F | 32.6 | Very low | 35.4 | Very low | 202 Ų | 202 | 119.2 Ų | 119.2 | 89% | 0.886 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -123.6 | 139 | -178.5 | -85.4 | -88.2 | 0 | 0 | 0 | 114.2 | ||
| 205 | S | 44.5 | Very low | 35.3 | Very low | 47 Ų | 47 | 120.5 Ų | 120.5 | 33% | 0.329 | 66% | 0.657 | S | S | . | * | trans | -35.3 | 136.8 | 178.9 | 54.9 | 0 | 0 | 0 | 0 | 116 | R207 Y519 | S205-R207 PolarHBondContact O-N 3.47Å; S205-R207 VanDerWaalsContact O-N 3.14Å; S205-Y519 WeakPolarHBondContact OG-CB 3.26Å | ||
| 206 | C | 42.7 | Very low | 35.2 | Very low | 26 Ų | 26 | 121.1 Ų | 121.1 | 18% | 0.176 | 65% | 0.652 | C | S | . | * | trans | -45.8 | 113.6 | -179.7 | -37 | 0 | 0 | 0 | 0 | 112.3 | C240 W242 Y519 | C206-C240 HydrophobicContact CB-CB 4.33Å; C206-C240 WeakPolarHBondContact CB-SG 3.49Å; C206-C240 WeakPolarHBondContact SG-CB 3.47Å; C206-C240 CovalentContact SG-SG 2Å; C206-C240 PolarHBondContact SG-SG 2.85Å; C206-W242 HydrophobicContact CB-CH2 4.3Å; C206-W242 HydrophobicContact CB-CZ3 4.27Å; C206-Y519 PolarHBondContact O-N 2.99Å | ||
| 207 | R | 52.7 | Low | 35.3 | Very low | 158 Ų | 158 | 116.2 Ų | 116.2 | 60% | 0.596 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 155.7 | 160.4 | -65.3 | -177.8 | 178.7 | -177.3 | 1 | 107.7 | S205 V209 Y519 | S205-R207 PolarHBondContact O-N 3.47Å; S205-R207 VanDerWaalsContact O-N 3.14Å; R207-V209 WeakPolarHBondContact O-CG2 3.48Å; R207-V209 PolarHBondContact O-N 3.34Å; R207-Y519 HydrophobicContact CG-CD1 4.17Å |
| 208 | I | 50.4 | Low | 35.3 | Very low | 19 Ų | 19 | 117.7 Ų | 117.7 | 10% | 0.097 | 64% | 0.637 | C | S | . | * | P | Polyproline II helix | trans | -70 | 117.5 | 162.6 | -52.4 | 171.7 | 0 | 0 | 0 | 105.9 | F235 V351 E352 F518 | I208-F235 HydrophobicContact CG2-CE1 4.3Å; I208-F235 HydrophobicContact CG2-CZ 3.87Å; I208-V351 HydrophobicContact CB-CG1 3.39Å; I208-V351 HydrophobicContact CD1-CG1 4.45Å; I208-V351 HydrophobicContact CG2-CG1 3.15Å; I208-E352 HydrophobicContact CD1-CG 4.37Å; I208-F518 HydrophobicContact CD1-CD1 4.37Å; I208-F518 HydrophobicContact CD1-CD2 3.73Å; I208-F518 HydrophobicContact CD1-CE1 4.37Å; I208-F518 HydrophobicContact CD1-CE2 3.71Å; I208-F518 HydrophobicContact CD1-CG 4.06Å; I208-F518 HydrophobicContact CD1-CZ 4.04Å; I208-F518 HydrophobicContact CG1-CB 4.23Å; I208-F518 HydrophobicContact CG1-CD2 3.76Å; I208-F518 HydrophobicContact CG1-CE2 4.24Å; I208-F518 HydrophobicContact CG1-CG 4.02Å |
| 209 | V | 49.7 | Very low | 35.2 | Very low | 90 Ų | 90 | 115.3 Ų | 115.3 | 55% | 0.545 | 63% | 0.629 | S | S | . | * | P | Polyproline II helix | trans | -103.9 | 136.8 | -178.5 | -164.2 | 0 | 0 | 0 | 0 | 108.4 | R207 | R207-V209 WeakPolarHBondContact O-CG2 3.48Å; R207-V209 PolarHBondContact O-N 3.34Å |
| 210 | P | 39.8 | Very low | 35.2 | Very low | 63 Ų | 63 | 110.6 Ų | 110.6 | 41% | 0.409 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -59.9 | 153.1 | 164.3 | -16.9 | 30.2 | 0 | 0 | 0 | 111.1 | I212 Y233 | P210-I212 PolarHBondContact O-N 2.99Å; P210-Y233 HydrophobicContact CB-CE1 3.77Å; P210-Y233 HydrophobicContact CG-CE1 4.15Å |
| 211 | P | 31.5 | Very low | 35.2 | Very low | 23 Ų | 23 | 112 Ų | 112 | 15% | 0.149 | 62% | 0.617 | C | S | . | * | P | Polyproline II helix | trans | -58 | 138 | 175.9 | 23 | -30.8 | 0 | 0 | 0 | 110.8 | ||
| 212 | I | 36.2 | Very low | 35.3 | Very low | 142 Ų | 142 | 112.5 Ų | 112.5 | 73% | 0.728 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 124.4 | 173.5 | -60.4 | 172.6 | 0 | 0 | 0 | 107.3 | P210 D214 | P210-I212 PolarHBondContact O-N 2.99Å; I212-D214 PolarHBondContact O-N 2.86Å |
| 213 | Y | 35.4 | Very low | 35.5 | Very low | 182 Ų | 182 | 114.1 Ų | 114.1 | 71% | 0.714 | 62% | 0.622 | S | S | * | * | trans | -82.2 | 99.3 | 169.5 | -61.5 | -86.4 | 0 | 0 | 0 | 107.7 | D215 | Y213-D215 PolarHBondContact O-N 3.5Š| ||
| 214 | D | 30.4 | Very low | 35.4 | Very low | 144 Ų | 144 | 115.6 Ų | 115.6 | 77% | 0.77 | 62% | 0.621 | S | S | * | * | trans | -67.8 | 123.1 | 160.2 | -88.3 | -24.6 | 0 | 0 | 0 | 107.2 | I212 I216 | I212-D214 PolarHBondContact O-N 2.86Å; D214-I216 PolarHBondContact O-N 3.13Å | ||
| 215 | D | 29.3 | Very low | 35.1 | Very low | 153 Ų | 153 | 111.3 Ų | 111.3 | 82% | 0.818 | 62% | 0.616 | S | S | * | * | trans | -49.8 | 96.5 | 175 | -77.1 | -45.7 | 0 | 0 | 0 | 110.1 | Y213 A217 | Y213-D215 PolarHBondContact O-N 3.5Å; D215-A217 HydrophobicContact CB-CB 4.25Å; D215-A217 PolarHBondContact O-N 3.04Å | ||
| 216 | I | 29.9 | Very low | 34.5 | Very low | 142 Ų | 142 | 114.9 Ų | 114.9 | 73% | 0.728 | 64% | 0.638 | S | S | * | * | trans | -74.1 | 62.4 | 160.3 | -52 | 175.1 | 0 | 0 | 0 | 106.5 | D214 H218 I219 | D214-I216 PolarHBondContact O-N 3.13Å; I216-H218 VanDerWaalsContact C-N 3.32Å; I216-I219 HydrophobicContact CG2-CD1 4.08Å; I216-I219 HydrophobicContact CG2-CG1 4.1Å | ||
| 217 | A | 31.2 | Very low | 33.8 | Very low | 67 Ų | 67 | 118.7 Ų | 118.7 | 55% | 0.554 | 67% | 0.665 | S | S | * | * | trans | -97.2 | 24.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | D215 | D215-A217 HydrophobicContact CB-CB 4.25Å; D215-A217 PolarHBondContact O-N 3.04Å | ||
| 218 | H | 29.4 | Very low | 32.8 | Very low | 184 Ų | 184 | 119 Ų | 119 | 85% | 0.852 | 67% | 0.673 | S | S | * | * | trans | -151.5 | 61.3 | 171.5 | -71.3 | -57.3 | 0 | 0 | 0 | 112.3 | I216 | I216-H218 VanDerWaalsContact C-N 3.32Š| ||
| 219 | I | 28.6 | Very low | 31.8 | Very low | 147 Ų | 147 | 122.5 Ų | 122.5 | 75% | 0.754 | 71% | 0.705 | S | S | * | * | trans | -126.5 | 94.5 | 151.5 | -59.1 | 179.6 | 0 | 0 | 0 | 107.1 | I216 | I216-I219 HydrophobicContact CG2-CD1 4.08Å; I216-I219 HydrophobicContact CG2-CG1 4.1Å | ||
| 220 | S | 28 | Very low | 30.8 | Very low | 95 Ų | 95 | 125.5 Ų | 125.5 | 66% | 0.664 | 71% | 0.707 | S | S | * | * | trans | -60.4 | 140.6 | 163.7 | 48.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 221 | D | 29.3 | Very low | 30.5 | Very low | 153 Ų | 153 | 126 Ų | 126 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | trans | 60.6 | 90 | 152.5 | -56.3 | -25.8 | 0 | 0 | 0 | 118.1 | ||||
| 222 | S | 31.4 | Very low | 30.6 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | -177.1 | 133.4 | 123.3 | 56.1 | 0 | 0 | 0 | 0 | 111.8 | S224 | S222-S224 PolarHBondContact O-N 2.65Š| |||
| 223 | D | 29.5 | Very low | 30.8 | Very low | 173 Ų | 173 | 126.4 Ų | 126.4 | 93% | 0.925 | 70% | 0.704 | S | S | * | * | trans | -41.2 | 107.5 | 177.5 | -67 | -52.1 | 0 | 0 | 0 | 115.3 | ||||
| 224 | S | 30.5 | Very low | 30.9 | Very low | 103 Ų | 103 | 121.1 Ų | 121.1 | 72% | 0.72 | 69% | 0.691 | S | S | * | * | trans | -162 | 127.7 | 140.1 | 49.6 | 0 | 0 | 0 | 0 | 108.4 | S222 P226 | S222-S224 PolarHBondContact O-N 2.65Å; S224-P226 VanDerWaalsContact O-N 3.16Å | ||
| 225 | S | 27.6 | Very low | 31.7 | Very low | 112 Ų | 112 | 117.1 Ų | 117.1 | 78% | 0.783 | 67% | 0.667 | S | S | * | * | trans | -48.4 | 119 | 173.9 | 48.9 | 0 | 0 | 0 | 0 | 109.7 | S227 | S225-S227 PolarHBondContact O-N 3.37Š| ||
| 226 | P | 30 | Very low | 32.2 | Very low | 122 Ų | 122 | 117.9 Ų | 117.9 | 79% | 0.792 | 67% | 0.666 | S | S | * | * | trans | -69.9 | 103.8 | -180 | 27 | -29.7 | 0 | 0 | 0 | 107 | S224 E228 | S224-P226 VanDerWaalsContact O-N 3.16Å; P226-E228 PolarHBondContact O-N 3.12Å | ||
| 227 | S | 29.7 | Very low | 32.6 | Very low | 106 Ų | 106 | 116.9 Ų | 116.9 | 74% | 0.741 | 66% | 0.662 | S | S | * | * | trans | -50.9 | 118.3 | 158 | 56 | 0 | 0 | 0 | 0 | 105.8 | S225 A229 | S225-S227 PolarHBondContact O-N 3.37Å; S227-A229 PolarHBondContact O-N 2.72Å | ||
| 228 | E | 31.7 | Very low | 33.2 | Very low | 163 Ų | 163 | 115.9 Ų | 115.9 | 76% | 0.762 | 65% | 0.65 | S | S | * | * | trans | -36.2 | 101.5 | 176.2 | -68.6 | 174.6 | 161.4 | 0 | 0 | 109.5 | P226 R230 | P226-E228 PolarHBondContact O-N 3.12Å; E228-R230 PolarHBondContact O-N 3.24Å | ||
| 229 | A | 29.3 | Very low | 33.8 | Very low | 94 Ų | 94 | 115.9 Ų | 115.9 | 78% | 0.777 | 65% | 0.65 | S | S | * | * | trans | -69.1 | 89.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 105.4 | S227 S231 | S227-A229 PolarHBondContact O-N 2.72Å; A229-S231 PolarHBondContact O-N 3.04Å | ||
| 230 | R | 27.9 | Very low | 34.7 | Very low | 153 Ų | 153 | 110.7 Ų | 110.7 | 58% | 0.577 | 63% | 0.627 | S | S | * | * | trans | -63.4 | 80.5 | 165.3 | -71.3 | -177 | 179.5 | -172.9 | -2.5 | 106.2 | E228 F232 | E228-R230 PolarHBondContact O-N 3.24Å; R230-F232 VanDerWaalsContact O-CD2 3.3Å; R230-F232 WeakPolarHBondContact O-CD2 3.3Å; R230-F232 WeakPolarHBondContact O-CE2 3.39Å; R230-F232 PolarHBondContact O-N 3.16Å | ||
| 231 | S | 34.4 | Very low | 35.9 | Very low | 72 Ų | 72 | 118 Ų | 118 | 50% | 0.503 | 64% | 0.64 | S | S | . | * | trans | -68 | 117.2 | -179.5 | -171.4 | 0 | 0 | 0 | 0 | 108 | A229 | A229-S231 PolarHBondContact O-N 3.04Š| ||
| 232 | F | 33.5 | Very low | 37.7 | Very low | 116 Ų | 116 | 113.5 Ų | 113.5 | 51% | 0.509 | 61% | 0.612 | S | S | . | * | trans | -75.9 | 150.7 | -177.2 | -63.3 | -87.1 | 0 | 0 | 0 | 110.2 | R230 T234 | R230-F232 VanDerWaalsContact O-CD2 3.3Å; R230-F232 WeakPolarHBondContact O-CD2 3.3Å; R230-F232 WeakPolarHBondContact O-CE2 3.39Å; R230-F232 PolarHBondContact O-N 3.16Å; F232-T234 PolarHBondContact O-N 3.19Å | ||
| 233 | Y | 38.9 | Very low | 39.5 | Very low | 58 Ų | 58 | 110 Ų | 110 | 23% | 0.227 | 59% | 0.586 | C | S | . | * | trans | -62.3 | 108.6 | 167.3 | -71.8 | -106.1 | 0 | 0 | 0 | 108.6 | P210 V351 N354 | P210-Y233 HydrophobicContact CB-CE1 3.77Å; P210-Y233 HydrophobicContact CG-CE1 4.15Å; Y233-V351 HydrophobicContact CE1-CG1 4.49Å; Y233-N354 HydrophobicContact CD2-CB 3.95Å; Y233-N354 HydrophobicContact CE2-CB 3.74Å; Y233-N354 WeakPolarHBondContact CE2-ND2 3.3Å; Y233-N354 VanDerWaalsContact CZ-ND2 3.28Å; Y233-N354 PolarHBondContact OH-ND2 3.47Å | ||
| 234 | T | 37.6 | Very low | 41.7 | Very low | 71 Ų | 71 | 107.2 Ų | 107.2 | 44% | 0.436 | 57% | 0.566 | S | S | . | * | trans | -105.8 | 130.9 | 173.7 | 45.9 | 0 | 0 | 0 | 0 | 110 | F232 E236 | F232-T234 PolarHBondContact O-N 3.19Å; T234-E236 VanDerWaalsContact C-N 3.29Å; T234-E236 PolarHBondContact O-N 3.46Å | ||
| 235 | F | 48.3 | Very low | 44.2 | Very low | 60 Ų | 60 | 103.4 Ų | 103.4 | 26% | 0.263 | 54% | 0.539 | S | S | . | . | G | 310 helix | trans | -79 | -9.4 | -176.9 | -84.9 | -96.9 | 0 | 0 | 0 | 114.2 | I208 D237 C238 W242 W355 | I208-F235 HydrophobicContact CG2-CE1 4.3Å; I208-F235 HydrophobicContact CG2-CZ 3.87Å; F235-D237 PolarHBondContact O-N 2.87Å; F235-C238 PolarHBondContact O-N 2.89Å; F235-W242 AromaticContact CD1-CZ2 3.69Å; F235-W242 HydrophobicContact CD1-CZ2 3.69Å; F235-W242 HydrophobicContact CE1-CH2 4.22Å; F235-W242 AromaticContact CE1-CZ2 3.7Å; F235-W242 HydrophobicContact CE1-CZ2 3.7Å; F235-W355 AromaticContact CE2-CD1 3.14Å; F235-W355 HydrophobicContact CE2-CG 4.39Å; F235-W355 AromaticContact CE2-NE1 3.43Å; F235-W355 AromaticContact CZ-CD1 3Å; F235-W355 HydrophobicContact CZ-CG 4.11Å; F235-W355 AromaticContact CZ-NE1 3.25Å |
| 236 | E | 38.4 | Very low | 46.9 | Very low | 170 Ų | 170 | 99.1 Ų | 99.1 | 79% | 0.794 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -64.8 | -22.5 | -171.3 | -66.2 | -173.1 | 161 | 0 | 0 | 113 | T234 | T234-E236 VanDerWaalsContact C-N 3.29Å; T234-E236 PolarHBondContact O-N 3.46Å |
| 237 | D | 40.1 | Very low | 49.8 | Very low | 120 Ų | 120 | 93.3 Ų | 93.3 | 64% | 0.642 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -84.1 | -10.8 | -176.6 | -58.2 | -39.5 | 0 | 0 | 0 | 114 | F235 H239 | F235-D237 PolarHBondContact O-N 2.87Å; D237-H239 PolarHBondContact O-N 2.79Å |
| 238 | C | 43.9 | Very low | 52.6 | Low | 46 Ų | 46 | 90.9 Ų | 90.9 | 31% | 0.311 | 45% | 0.452 | S | S | . | . | trans | -89.8 | 92.4 | 173.1 | -159.6 | 0 | 0 | 0 | 0 | 110 | F235 C240 | F235-C238 PolarHBondContact O-N 2.89Å; C238-C240 PolarHBondContact O-N 3.07Å; C238-C240 PolarHBondContact SG-SG 3.31Å | ||
| 239 | H | 40.2 | Very low | 55.1 | Low | 184 Ų | 184 | 89.3 Ų | 89.3 | 85% | 0.852 | 44% | 0.44 | S | S | * | . | trans | -64.3 | 9 | 178 | -70.7 | -45.1 | 0 | 0 | 0 | 115.6 | D237 | D237-H239 PolarHBondContact O-N 2.79Š| ||
| 240 | C | 48.7 | Very low | 57.7 | Low | 39 Ų | 39 | 86.1 Ų | 86.1 | 26% | 0.264 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -81.3 | 126.3 | 174.5 | 73.4 | 0 | 0 | 0 | 0 | 110.7 | C206 C238 W242 | C206-C240 HydrophobicContact CB-CB 4.33Å; C206-C240 WeakPolarHBondContact CB-SG 3.49Å; C206-C240 WeakPolarHBondContact SG-CB 3.47Å; C206-C240 CovalentContact SG-SG 2Å; C206-C240 PolarHBondContact SG-SG 2.85Å; C238-C240 PolarHBondContact O-N 3.07Å; C238-C240 PolarHBondContact SG-SG 3.31Å; C240-W242 PolarHBondContact O-N 3.32Å; C240-W242 VanDerWaalsContact O-N 3.08Å |
| 241 | R | 53.5 | Low | 60 | Low | 248 Ų | 248 | 84 Ų | 84 | 94% | 0.936 | 41% | 0.412 | S | S | * | . | trans | -64.2 | 113.1 | 167.4 | -105.3 | 179.9 | 176.7 | 176.2 | -0.4 | 108.3 | ||||
| 242 | W | 66.1 | Low | 62 | Low | 59 Ų | 59 | 84.3 Ų | 84.3 | 22% | 0.223 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 140.8 | 170.3 | -64.3 | 91.6 | 0 | 0 | 0 | 110.6 | C206 F235 C240 F517 F518 | C206-W242 HydrophobicContact CB-CH2 4.3Å; C206-W242 HydrophobicContact CB-CZ3 4.27Å; F235-W242 AromaticContact CD1-CZ2 3.69Å; F235-W242 HydrophobicContact CD1-CZ2 3.69Å; F235-W242 HydrophobicContact CE1-CH2 4.22Å; F235-W242 AromaticContact CE1-CZ2 3.7Å; F235-W242 HydrophobicContact CE1-CZ2 3.7Å; C240-W242 PolarHBondContact O-N 3.32Å; C240-W242 VanDerWaalsContact O-N 3.08Å; W242-F517 HydrophobicContact CD2-CD2 4.35Å; W242-F517 HydrophobicContact CE3-CB 3.88Å; W242-F517 AromaticContact CE3-CD2 3.61Å; W242-F517 HydrophobicContact CE3-CD2 3.61Å; W242-F517 HydrophobicContact CE3-CG 4.21Å; W242-F517 AromaticContact CH2-CD2 3.96Å; W242-F517 HydrophobicContact CH2-CD2 3.96Å; W242-F517 HydrophobicContact CH2-CE2 4.32Å; W242-F517 HydrophobicContact CZ3-CB 4.34Å; W242-F517 AromaticContact CZ3-CD2 3.43Å; W242-F517 HydrophobicContact CZ3-CD2 3.43Å; W242-F517 VanDerWaalsContact CZ3-CD2 3.43Å; W242-F517 HydrophobicContact CZ3-CE2 4.18Å; W242-F517 HydrophobicContact CZ3-CG 4.27Å; W242-F517 WeakPolarHBondContact CZ3-O 3.5Å; W242-F518 HydrophobicContact CH2-CB 4.05Å; W242-F518 HydrophobicContact CZ3-CB 3.56Å |
| 243 | P | 69.9 | Low | 64 | Low | 42 Ų | 42 | 85.5 Ų | 85.5 | 27% | 0.273 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 145.7 | 174.7 | 27.4 | -34.2 | 0 | 0 | 0 | 109.7 | A512 R516 F517 | P243-A512 HydrophobicContact CG-CB 4.34Å; P243-R516 WeakPolarHBondContact CG-O 3.31Å; P243-F517 WeakPolarHBondContact CD-O 3.26Å |
| 244 | F | 74.6 | Confident | 66 | Low | 113 Ų | 113 | 88.1 Ų | 88.1 | 50% | 0.496 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 132.8 | 179.4 | -171.2 | -77.6 | 0 | 0 | 0 | 110.3 | S246 V248 Y249 | F244-S246 PolarHBondContact O-N 2.78Å; F244-S246 VanDerWaalsContact O-N 3.11Å; F244-V248 HydrophobicContact CE1-CB 4.3Å; F244-Y249 AromaticContact CD1-CD2 3.88Å; F244-Y249 HydrophobicContact CD1-CD2 3.88Å; F244-Y249 HydrophobicContact CD1-CE1 4.49Å; F244-Y249 AromaticContact CD1-CE2 3.01Å; F244-Y249 HydrophobicContact CD1-CE2 3.01Å; F244-Y249 AromaticContact CD1-CZ 3.38Å; F244-Y249 VanDerWaalsContact CD1-OH 3.3Å; F244-Y249 WeakPolarHBondContact CD1-OH 3.39Å; F244-Y249 HydrophobicContact CE1-CD1 4.31Å; F244-Y249 AromaticContact CE1-CD2 3.6Å; F244-Y249 HydrophobicContact CE1-CD2 3.6Å; F244-Y249 AromaticContact CE1-CE1 3.77Å; F244-Y249 HydrophobicContact CE1-CE1 3.77Å; F244-Y249 AromaticContact CE1-CE2 2.97Å; F244-Y249 HydrophobicContact CE1-CE2 2.97Å; F244-Y249 HydrophobicContact CE1-CG 4.23Å; F244-Y249 AromaticContact CE1-CZ 3.03Å; F244-Y249 WeakPolarHBondContact CE1-OH 3.29Å; F244-Y249 WeakPolarHBondContact CE2-OH 3.49Å; F244-Y249 AromaticContact CG-CE2 3.99Å; F244-Y249 HydrophobicContact CG-CE2 3.99Å; F244-Y249 WeakPolarHBondContact CG-OH 3.42Å; F244-Y249 AromaticContact CZ-CE1 3.91Å; F244-Y249 HydrophobicContact CZ-CE1 3.91Å; F244-Y249 AromaticContact CZ-CE2 3.9Å; F244-Y249 HydrophobicContact CZ-CE2 3.9Å; F244-Y249 AromaticContact CZ-CZ 3.45Å; F244-Y249 VanDerWaalsContact CZ-CZ 3.45Å; F244-Y249 VanDerWaalsContact CZ-OH 3.29Å; F244-Y249 WeakPolarHBondContact CZ-OH 3.49Å |
| 245 | P | 83.3 | Confident | 68.1 | Low | 24 Ų | 24 | 86.4 Ų | 86.4 | 16% | 0.156 | 43% | 0.428 | C | S | . | . | trans | -69.9 | 107.7 | -179.9 | 27.9 | -34.4 | 0 | 0 | 0 | 111.3 | V247 V248 A459 | P245-V247 HydrophobicContact CB-CG1 4.44Å; P245-V247 PolarHBondContact O-N 2.95Å; P245-V248 HydrophobicContact CB-CG2 4.02Å; P245-V248 HydrophobicContact CG-CG2 3.7Å; P245-V248 PolarHBondContact O-N 2.99Å; P245-A459 HydrophobicContact CB-CB 3.53Å; P245-A459 HydrophobicContact CG-CB 4.13Å | ||
| 246 | S | 84.8 | Confident | 69.7 | Low | 21 Ų | 21 | 85.5 Ų | 85.5 | 15% | 0.147 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -56.6 | -34.5 | -177.9 | 62.1 | 0 | 0 | 0 | 0 | 113.2 | F244 V248 Y249 E514 G515 | F244-S246 PolarHBondContact O-N 2.78Å; F244-S246 VanDerWaalsContact O-N 3.11Å; S246-V248 PolarHBondContact O-N 3.39Å; S246-V248 VanDerWaalsContact O-N 3.12Å; S246-Y249 PolarHBondContact O-N 3.29Å; S246-Y249 VanDerWaalsContact O-N 3.08Å; S246-E514 PolarHBondContact OG-O 3.12Å; S246-G515 VanDerWaalsContact OG-CA 3.28Å; S246-G515 WeakPolarHBondContact OG-CA 3.38Å |
| 247 | V | 90 | Very high | 71.9 | Confident | 1 Ų | 1 | 85.2 Ų | 85.2 | 1% | 0.006 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -61.3 | -20 | -177.8 | 70 | 0 | 0 | 0 | 0 | 114.1 | P245 R429 L433 I446 L451 A459 F460 | P245-V247 HydrophobicContact CB-CG1 4.44Å; P245-V247 PolarHBondContact O-N 2.95Å; V247-R429 PolarHBondContact O-NE 2.72Å; V247-L433 HydrophobicContact CG2-CD1 3.58Å; V247-I446 HydrophobicContact CG2-CD1 3.98Å; V247-I446 HydrophobicContact CG2-CG1 3.91Å; V247-L451 HydrophobicContact CB-CD1 3.87Å; V247-L451 HydrophobicContact CG1-CD1 4.28Å; V247-L451 HydrophobicContact CG2-CD1 4.4Å; V247-A459 HydrophobicContact CG1-CB 3.44Å; V247-A459 VanDerWaalsContact CG1-CB 3.44Å; V247-F460 HydrophobicContact CG1-CE2 3.96Å; V247-F460 HydrophobicContact CG1-CZ 4.31Å; V247-F460 HydrophobicContact CG2-CE2 4.16Å; V247-F460 HydrophobicContact CG2-CZ 4.31Å |
| 248 | V | 89.3 | Confident | 74.2 | Confident | 55 Ų | 55 | 84.6 Ų | 84.6 | 33% | 0.333 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -76.6 | -25.3 | 178.1 | -176 | 0 | 0 | 0 | 0 | 111.7 | F244 P245 S246 A459 | F244-V248 HydrophobicContact CE1-CB 4.3Å; P245-V248 HydrophobicContact CB-CG2 4.02Å; P245-V248 HydrophobicContact CG-CG2 3.7Å; P245-V248 PolarHBondContact O-N 2.99Å; S246-V248 PolarHBondContact O-N 3.39Å; S246-V248 VanDerWaalsContact O-N 3.12Å; V248-A459 HydrophobicContact CG2-CB 3.97Å |
| 249 | Y | 84 | Confident | 76.3 | Confident | 129 Ų | 129 | 83.1 Ų | 83.1 | 51% | 0.506 | 42% | 0.417 | S | S | . | . | trans | -78.2 | 140.6 | 178.5 | -66.2 | -64.8 | 0 | 0 | 0 | 112.1 | F244 S246 R429 | F244-Y249 AromaticContact CD1-CD2 3.88Å; F244-Y249 HydrophobicContact CD1-CD2 3.88Å; F244-Y249 HydrophobicContact CD1-CE1 4.49Å; F244-Y249 AromaticContact CD1-CE2 3.01Å; F244-Y249 HydrophobicContact CD1-CE2 3.01Å; F244-Y249 AromaticContact CD1-CZ 3.38Å; F244-Y249 VanDerWaalsContact CD1-OH 3.3Å; F244-Y249 WeakPolarHBondContact CD1-OH 3.39Å; F244-Y249 HydrophobicContact CE1-CD1 4.31Å; F244-Y249 AromaticContact CE1-CD2 3.6Å; F244-Y249 HydrophobicContact CE1-CD2 3.6Å; F244-Y249 AromaticContact CE1-CE1 3.77Å; F244-Y249 HydrophobicContact CE1-CE1 3.77Å; F244-Y249 AromaticContact CE1-CE2 2.97Å; F244-Y249 HydrophobicContact CE1-CE2 2.97Å; F244-Y249 HydrophobicContact CE1-CG 4.23Å; F244-Y249 AromaticContact CE1-CZ 3.03Å; F244-Y249 WeakPolarHBondContact CE1-OH 3.29Å; F244-Y249 WeakPolarHBondContact CE2-OH 3.49Å; F244-Y249 AromaticContact CG-CE2 3.99Å; F244-Y249 HydrophobicContact CG-CE2 3.99Å; F244-Y249 WeakPolarHBondContact CG-OH 3.42Å; F244-Y249 AromaticContact CZ-CE1 3.91Å; F244-Y249 HydrophobicContact CZ-CE1 3.91Å; F244-Y249 AromaticContact CZ-CE2 3.9Å; F244-Y249 HydrophobicContact CZ-CE2 3.9Å; F244-Y249 AromaticContact CZ-CZ 3.45Å; F244-Y249 VanDerWaalsContact CZ-CZ 3.45Å; F244-Y249 VanDerWaalsContact CZ-OH 3.29Å; F244-Y249 WeakPolarHBondContact CZ-OH 3.49Å; S246-Y249 PolarHBondContact O-N 3.29Å; S246-Y249 VanDerWaalsContact O-N 3.08Å; Y249-R429 PolarHBondContact O-NE 3.42Å; Y249-R429 PolarHBondContact O-NH2 2.82Å | ||
| 250 | S | 83.8 | Confident | 78.7 | Confident | 27 Ų | 27 | 81.6 Ų | 81.6 | 19% | 0.189 | 41% | 0.408 | C | S | . | . | trans | -118.5 | 135.1 | 169.4 | 168.3 | 0 | 0 | 0 | 0 | 108.8 | T252 E432 | S250-T252 VanDerWaalsContact C-N 3.3Å; S250-T252 PolarHBondContact OG-N 3.36Å; S250-T252 PolarHBondContact OG-O 2.87Å; S250-E432 WeakPolarHBondContact CB-OE1 3.29Å; S250-E432 PolarHBondContact OG-OE1 3.05Å; S250-E432 PolarHBondContact OG-OE2 3.39Å | ||
| 251 | D | 76.3 | Confident | 80.6 | Confident | 110 Ų | 110 | 81.9 Ų | 81.9 | 59% | 0.588 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -75.5 | -24.4 | 174.9 | -68.3 | -35.3 | 0 | 0 | 0 | 110.6 | E441 K444 | D251-E441 PolarHBondContact N-OE1 3.23Å; D251-K444 IonicContact OD2-NZ 2.83Å; D251-K444 PolarHBondContact OD2-NZ 2.86Å |
| 252 | T | 77.7 | Confident | 82 | Confident | 77 Ų | 77 | 71.8 Ų | 71.8 | 47% | 0.472 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -138.7 | 108.8 | 178.8 | 54.5 | 0 | 0 | 0 | 0 | 112.8 | S250 R254 E432 | S250-T252 VanDerWaalsContact C-N 3.3Å; S250-T252 PolarHBondContact OG-N 3.36Å; S250-T252 PolarHBondContact OG-O 2.87Å; T252-R254 PolarHBondContact O-N 3.44Å; T252-E432 VanDerWaalsContact O-OE1 3.09Å |
| 253 | L | 75.2 | Confident | 82.7 | Confident | 141 Ų | 141 | 71.4 Ų | 71.4 | 74% | 0.738 | 38% | 0.379 | S | S | * | . | trans | -72.2 | 119.4 | 175.4 | -67.6 | 171.2 | 0 | 0 | 0 | 111.4 | ||||
| 254 | R | 79.2 | Confident | 83.1 | Confident | 113 Ų | 113 | 71.3 Ų | 71.3 | 43% | 0.426 | 38% | 0.375 | S | S | . | . | trans | -115.5 | 151.3 | 171.7 | -60.2 | -173.5 | -173.5 | -151.9 | 2 | 111.6 | T252 L259 R428 | T252-R254 PolarHBondContact O-N 3.44Å; R254-L259 HydrophobicContact CB-CD2 4.1Å; R254-R428 PolarHBondContact O-NH1 2.93Å | ||
| 255 | G | 81.8 | Confident | 83 | Confident | 36 Ų | 36 | 72.5 Ų | 72.5 | 37% | 0.371 | 39% | 0.387 | S | S | . | . | trans | -66.4 | 149.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | D257 D258 | G255-D257 PolarHBondContact O-N 2.71Å; G255-D258 PolarHBondContact O-N 2.82Å; G255-D258 VanDerWaalsContact O-N 3.12Å | ||
| 256 | V | 82.9 | Confident | 82.2 | Confident | 40 Ų | 40 | 75.5 Ų | 75.5 | 24% | 0.242 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -61 | -35.1 | -179.8 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | D258 L259 R428 L431 | V256-D258 PolarHBondContact O-N 3.2Å; V256-L259 WeakPolarHBondContact O-CB 3.48Å; V256-L259 PolarHBondContact O-N 2.93Å; V256-L259 VanDerWaalsContact O-N 3.15Å; V256-R428 HydrophobicContact CG2-CB 4.4Å; V256-R428 HydrophobicContact CG2-CG 3.73Å; V256-L431 HydrophobicContact CG1-CD1 3.81Å |
| 257 | D | 85 | Confident | 81.6 | Confident | 164 Ų | 164 | 74.7 Ų | 74.7 | 88% | 0.877 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -67.3 | -19.2 | 179.6 | -58.4 | -40.6 | 0 | 0 | 0 | 113.2 | G255 L259 | G255-D257 PolarHBondContact O-N 2.71Å; D257-L259 VanDerWaalsContact C-N 3.35Å |
| 258 | D | 87.1 | Confident | 80.6 | Confident | 108 Ų | 108 | 76.3 Ų | 76.3 | 58% | 0.578 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -88.3 | -3.1 | 177.6 | -59.5 | -44.9 | 0 | 0 | 0 | 113 | G255 V256 | G255-D258 PolarHBondContact O-N 2.82Å; G255-D258 VanDerWaalsContact O-N 3.12Å; V256-D258 PolarHBondContact O-N 3.2Å |
| 259 | L | 89.5 | Confident | 80.2 | Confident | 15 Ų | 15 | 76.8 Ų | 76.8 | 8% | 0.079 | 41% | 0.407 | C | S | . | . | trans | -96.5 | 129.2 | -175.4 | -61.6 | 175.7 | 0 | 0 | 0 | 111.3 | R254 V256 D257 V261 L431 E432 E437 | R254-L259 HydrophobicContact CB-CD2 4.1Å; V256-L259 WeakPolarHBondContact O-CB 3.48Å; V256-L259 PolarHBondContact O-N 2.93Å; V256-L259 VanDerWaalsContact O-N 3.15Å; D257-L259 VanDerWaalsContact C-N 3.35Å; L259-V261 VanDerWaalsContact C-N 3.29Å; L259-V261 HydrophobicContact CB-CG2 3.64Å; L259-V261 HydrophobicContact CD1-CG2 4.49Å; L259-V261 PolarHBondContact O-N 2.79Å; L259-L431 HydrophobicContact CD1-CB 4.33Å; L259-E432 HydrophobicContact CD1-CB 4.04Å; L259-E432 HydrophobicContact CD2-CG 4.3Å; L259-E437 HydrophobicContact CD2-CB 4.29Å | ||
| 260 | K | 89.2 | Confident | 80 | Confident | 152 Ų | 152 | 71.1 Ų | 71.1 | 66% | 0.661 | 39% | 0.385 | S | S | * | . | trans | -83.9 | 81.1 | 167.8 | -65 | 174.5 | -173.2 | 166.7 | 0 | 109.4 | S435 S436 E437 | K260-S435 VanDerWaalsContact O-CA 3.31Å; K260-S435 WeakPolarHBondContact O-CA 3.47Å; K260-S436 WeakPolarHBondContact CB-OG 3.38Å; K260-S436 PolarHBondContact O-N 3.3Å; K260-S436 VanDerWaalsContact O-N 3.09Å; K260-E437 PolarHBondContact N-OE2 3.1Å | ||
| 261 | V | 89 | Confident | 80.2 | Confident | 45 Ų | 45 | 70.1 Ų | 70.1 | 27% | 0.273 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 142.7 | -178.7 | -178.5 | 0 | 0 | 0 | 0 | 110.9 | L259 L431 | L259-V261 VanDerWaalsContact C-N 3.29Å; L259-V261 HydrophobicContact CB-CG2 3.64Å; L259-V261 HydrophobicContact CD1-CG2 4.49Å; L259-V261 PolarHBondContact O-N 2.79Å; V261-L431 HydrophobicContact CG1-CD2 3.76Å; V261-L431 HydrophobicContact CG2-CB 4.16Å; V261-L431 HydrophobicContact CG2-CD2 4.44Å |
| 262 | L | 83.1 | Confident | 80.8 | Confident | 36 Ų | 36 | 66 Ų | 66 | 19% | 0.188 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 138.7 | 173.1 | -64.8 | 170.9 | 0 | 0 | 0 | 111.1 | R411 L412 R415 | L262-R411 HydrophobicContact CD1-CB 3.81Å; L262-L412 HydrophobicContact CB-CD1 4.43Å; L262-R415 WeakPolarHBondContact O-CD 3.35Å; L262-R415 WeakPolarHBondContact O-CG 3.31Å; L262-R415 PolarHBondContact O-NE 3.39Å |
| 263 | S | 81.1 | Confident | 81.5 | Confident | 50 Ų | 50 | 63.4 Ų | 63.4 | 35% | 0.35 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -75 | 137.3 | 173.5 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | D265 Q266 | S263-D265 PolarHBondContact O-N 3.04Å; S263-D265 WeakPolarHBondContact OG-CB 2.97Å; S263-D265 VanDerWaalsContact OG-CG 3.24Å; S263-D265 PolarHBondContact OG-N 3.4Å; S263-D265 VanDerWaalsContact OG-N 3.09Å; S263-D265 PolarHBondContact OG-OD2 3.09Å; S263-Q266 WeakPolarHBondContact O-CB 3.16Å; S263-Q266 PolarHBondContact O-N 2.96Å |
| 264 | L | 78.4 | Confident | 82.4 | Confident | 40 Ų | 40 | 59.3 Ų | 59.3 | 21% | 0.209 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -68.8 | -15.6 | 170.7 | -82.3 | -180 | 0 | 0 | 0 | 113.5 | Q266 L267 R415 L416 D419 | L264-Q266 PolarHBondContact O-N 3.44Å; L264-Q266 VanDerWaalsContact O-N 3.14Å; L264-L267 HydrophobicContact CD2-CB 4.48Å; L264-L267 CarbonylContact O-C 3.1Å; L264-L267 WeakPolarHBondContact O-CA 3.11Å; L264-L267 PolarHBondContact O-N 3.46Å; L264-R415 HydrophobicContact CD2-CG 3.81Å; L264-R415 HydrophobicContact CG-CG 3.92Å; L264-L416 HydrophobicContact CD2-CB 4.17Å; L264-L416 HydrophobicContact CD2-CD1 4.48Å; L264-D419 HydrophobicContact CD1-CB 4.39Å; L264-D419 WeakPolarHBondContact CD1-OD2 3.3Å |
| 265 | D | 71.7 | Confident | 83.1 | Confident | 138 Ų | 138 | 56.5 Ų | 56.5 | 74% | 0.738 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -58.9 | -26.6 | 174.3 | -57.3 | -37.9 | 0 | 0 | 0 | 111.6 | S263 L267 | S263-D265 PolarHBondContact O-N 3.04Å; S263-D265 WeakPolarHBondContact OG-CB 2.97Å; S263-D265 VanDerWaalsContact OG-CG 3.24Å; S263-D265 PolarHBondContact OG-N 3.4Å; S263-D265 VanDerWaalsContact OG-N 3.09Å; S263-D265 PolarHBondContact OG-OD2 3.09Å; D265-L267 VanDerWaalsContact C-N 3.31Å |
| 266 | Q | 66.7 | Low | 83.6 | Confident | 87 Ų | 87 | 57 Ų | 57 | 41% | 0.407 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -64.8 | -37.9 | 173.3 | -61.8 | -178.4 | -17.8 | 0 | 0 | 111 | V148 S263 L264 T268 L412 | V148-Q266 HydrophobicContact CG1-CB 4.2Å; V148-Q266 WeakPolarHBondContact CG1-O 3.44Å; V148-Q266 HydrophobicContact CG2-CB 4.42Å; S263-Q266 WeakPolarHBondContact O-CB 3.16Å; S263-Q266 PolarHBondContact O-N 2.96Å; L264-Q266 PolarHBondContact O-N 3.44Å; L264-Q266 VanDerWaalsContact O-N 3.14Å; Q266-T268 PolarHBondContact O-N 2.93Å; Q266-T268 VanDerWaalsContact O-N 3.16Å; Q266-L412 HydrophobicContact CB-CD1 4.41Å; Q266-L412 HydrophobicContact CB-CD2 4.45Å |
| 267 | L | 71.8 | Confident | 84 | Confident | 4 Ų | 4 | 62.5 Ų | 62.5 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -89.3 | 71.7 | 179 | -163.6 | 67.6 | 0 | 0 | 0 | 110.1 | L264 D265 P269 L412 L416 R469 | L264-L267 HydrophobicContact CD2-CB 4.48Å; L264-L267 CarbonylContact O-C 3.1Å; L264-L267 WeakPolarHBondContact O-CA 3.11Å; L264-L267 PolarHBondContact O-N 3.46Å; D265-L267 VanDerWaalsContact C-N 3.31Å; L267-P269 WeakPolarHBondContact O-CD 3.44Å; L267-L412 HydrophobicContact CB-CD1 4.12Å; L267-L412 HydrophobicContact CB-CD2 3.81Å; L267-L412 HydrophobicContact CB-CG 3.92Å; L267-L412 HydrophobicContact CD1-CD2 3.68Å; L267-L412 HydrophobicContact CD1-CG 4.1Å; L267-L412 HydrophobicContact CD2-CG 4.34Å; L267-L412 HydrophobicContact CG-CD2 4.23Å; L267-L412 HydrophobicContact CG-CG 4.32Å; L267-L416 HydrophobicContact CD2-CB 4.07Å; L267-L416 HydrophobicContact CD2-CD1 4.38Å; L267-L416 HydrophobicContact CD2-CD2 4.12Å; L267-L416 HydrophobicContact CD2-CG 4.42Å; L267-R469 PolarHBondContact O-NH2 3.34Å |
| 268 | T | 70.9 | Confident | 84.4 | Confident | 35 Ų | 35 | 59.2 Ų | 59.2 | 22% | 0.215 | 32% | 0.323 | C | S | . | . | trans | -65.7 | 129.7 | 179.7 | -18.7 | 0 | 0 | 0 | 0 | 111.4 | Q266 W270 A379 | Q266-T268 PolarHBondContact O-N 2.93Å; Q266-T268 VanDerWaalsContact O-N 3.16Å; T268-W270 PolarHBondContact O-N 2.74Å; T268-A379 HydrophobicContact CG2-CB 3.63Å | ||
| 269 | P | 79.1 | Confident | 84.7 | Confident | 65 Ų | 65 | 58 Ų | 58 | 42% | 0.422 | 32% | 0.317 | S | S | . | . | trans | -62.6 | 128.1 | 169.2 | -19.4 | 32 | 0 | 0 | 0 | 110.2 | L267 L375 S378 | L267-P269 WeakPolarHBondContact O-CD 3.44Å; P269-L375 HydrophobicContact CB-CD1 3.89Å; P269-S378 WeakPolarHBondContact O-CB 3.47Å; P269-S378 PolarHBondContact O-OG 3.32Å | ||
| 270 | W | 81.2 | Confident | 84.8 | Confident | 11 Ų | 11 | 59 Ų | 59 | 4% | 0.042 | 32% | 0.32 | C | S | . | . | trans | -135 | -16.8 | -177.2 | 68 | -85.2 | 0 | 0 | 0 | 113.6 | T268 L374 L375 S378 R380 V382 L385 P386 G472 | T268-W270 PolarHBondContact O-N 2.74Å; W270-L374 HydrophobicContact CE3-CD2 3.57Å; W270-L374 HydrophobicContact CZ3-CD2 3.57Å; W270-L374 WeakPolarHBondContact O-CA 2.84Å; W270-L375 PolarHBondContact O-N 3.01Å; W270-S378 WeakPolarHBondContact CB-OG 3.38Å; W270-R380 HydrophobicContact CB-CB 4.1Å; W270-R380 HydrophobicContact CB-CG 4.06Å; W270-R380 VanDerWaalsContact CD1-NH1 3.33Å; W270-R380 HydrophobicContact CG-CG 4.27Å; W270-V382 HydrophobicContact CD2-CG2 4.43Å; W270-V382 HydrophobicContact CE3-CB 4.19Å; W270-V382 HydrophobicContact CE3-CG1 4.06Å; W270-V382 HydrophobicContact CE3-CG2 4.16Å; W270-V382 HydrophobicContact CZ3-CG1 4Å; W270-L385 HydrophobicContact CZ3-CD2 4.31Å; W270-P386 HydrophobicContact CH2-CG 3.88Å; W270-G472 PolarHBondContact NE1-O 3.45Å | ||
| 271 | L | 87.5 | Confident | 84.6 | Confident | 6 Ų | 6 | 59.8 Ų | 59.8 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 141.1 | -177.6 | -175.3 | 69.8 | 0 | 0 | 0 | 109 | L372 L385 L471 | L271-L372 HydrophobicContact CD1-CB 4.21Å; L271-L385 HydrophobicContact CD1-CD2 3.45Å; L271-L385 VanDerWaalsContact CD1-CD2 3.45Å; L271-L471 HydrophobicContact CD2-CB 3.49Å; L271-L471 VanDerWaalsContact CD2-CB 3.49Å; L271-L471 HydrophobicContact CD2-CD1 4.4Å |
| 272 | A | 89.7 | Confident | 83.6 | Confident | 22 Ų | 22 | 60.1 Ų | 60.1 | 18% | 0.182 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 139.2 | 169 | 0 | 0 | 0 | 0 | 0 | 109.8 | L372 S373 L375 | A272-L372 WeakPolarHBondContact O-CA 3.47Å; A272-S373 PolarHBondContact N-O 3.42Å; A272-S373 PolarHBondContact O-N 2.84Å; A272-S373 PolarHBondContact O-OG 3.07Å; A272-L375 HydrophobicContact CB-CD2 3.83Å; A272-L375 HydrophobicContact CB-CG 4.2Å |
| 273 | S | 92.1 | Very high | 82.8 | Confident | 23 Ų | 23 | 65.9 Ų | 65.9 | 16% | 0.161 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 135.7 | 171 | 68.1 | 0 | 0 | 0 | 0 | 110.3 | R371 D468 | S273-R371 WeakPolarHBondContact CA-O 3.27Å; S273-D468 WeakPolarHBondContact CA-OD1 3.25Å; S273-D468 WeakPolarHBondContact CB-OD1 3.39Å; S273-D468 PolarHBondContact N-OD1 2.81Å; S273-D468 PolarHBondContact OG-OD1 2.98Å |
| 274 | A | 93.3 | Very high | 82.1 | Confident | 56 Ų | 56 | 64.2 Ų | 64.2 | 46% | 0.463 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 115.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | C370 R371 | A274-C370 WeakPolarHBondContact O-CA 3.33Å; A274-R371 PolarHBondContact N-O 3.21Å; A274-R371 PolarHBondContact O-N 2.68Å |
| 275 | V | 94.5 | Very high | 81.2 | Confident | 54 Ų | 54 | 70.4 Ų | 70.4 | 33% | 0.327 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 128.9 | 178.1 | -169.2 | 0 | 0 | 0 | 0 | 109.4 | V365 K368 V369 C370 L395 | V275-V365 HydrophobicContact CG1-CB 4.02Å; V275-V365 HydrophobicContact CG1-CG1 4.43Å; V275-K368 HydrophobicContact CG1-CB 3.5Å; V275-K368 HydrophobicContact CG1-CG 4.45Å; V275-V369 CarbonylContact C-O 3.49Å; V275-V369 WeakPolarHBondContact CA-O 3.41Å; V275-C370 HydrophobicContact CG2-CB 4.42Å; V275-L395 HydrophobicContact CG2-CD1 4.15Å; V275-L395 HydrophobicContact CG2-CD2 4.43Å; V275-L395 HydrophobicContact CG2-CG 4.35Å |
| 276 | T | 92.8 | Very high | 80.8 | Confident | 45 Ų | 45 | 71.6 Ų | 71.6 | 28% | 0.276 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | -178.3 | 173.7 | 79.1 | 0 | 0 | 0 | 0 | 111.1 | E278 K368 V369 | T276-E278 PolarHBondContact OG1-N 3.41Å; T276-K368 WeakPolarHBondContact O-CB 3.47Å; T276-V369 PolarHBondContact N-O 2.86Å |
| 277 | H | 91.4 | Very high | 80.7 | Confident | 157 Ų | 157 | 68.2 Ų | 68.2 | 73% | 0.727 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | -11.9 | 174.1 | 62.4 | -81.1 | 0 | 0 | 0 | 113 | K368 | H277-K368 WeakPolarHBondContact O-CD 3.23Å; H277-K368 WeakPolarHBondContact O-CE 3.34Å; H277-K368 PolarHBondContact O-NZ 3.27Å |
| 278 | E | 93.3 | Very high | 80.6 | Confident | 94 Ų | 94 | 73.6 Ų | 73.6 | 44% | 0.439 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 136.3 | -179.1 | -62 | 171.7 | -179.7 | 0 | 0 | 110 | T276 K368 V369 | T276-E278 PolarHBondContact OG1-N 3.41Å; E278-K368 CarbonylContact O-C 3.26Å; E278-K368 VanDerWaalsContact O-CA 3.27Å; E278-K368 WeakPolarHBondContact O-CA 3.37Å; E278-K368 WeakPolarHBondContact O-CD 3.25Å; E278-V369 HydrophobicContact CB-CG2 3.96Å; E278-V369 PolarHBondContact O-N 3.39Å |
| 279 | D | 93 | Very high | 80.8 | Confident | 82 Ų | 82 | 73.2 Ų | 73.2 | 44% | 0.439 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 139.1 | 171.4 | -69.6 | -58.4 | 0 | 0 | 0 | 110.3 | E281 K368 | D279-E281 PolarHBondContact O-N 2.92Å; D279-K368 WeakPolarHBondContact OD1-CD 3.29Å; D279-K368 VanDerWaalsContact OD1-CE 3.31Å; D279-K368 WeakPolarHBondContact OD1-CE 3.46Å; D279-K368 IonicContact OD1-NZ 3.85Å; D279-K368 PolarHBondContact OD1-NZ 3.05Å; D279-K368 IonicContact OD2-NZ 3.08Å; D279-K368 PolarHBondContact OD2-NZ 3.43Å; D279-K368 VanDerWaalsContact OD2-NZ 3.1Å |
| 280 | F | 91.4 | Very high | 80.1 | Confident | 36 Ų | 36 | 73.1 Ų | 73.1 | 16% | 0.158 | 39% | 0.389 | C | S | . | . | trans | -82 | 105.8 | 178.1 | 178.7 | -103 | 0 | 0 | 0 | 110 | G282 D367 V369 S393 | F280-G282 WeakPolarHBondContact CE1-O 3.35Å; F280-G282 VanDerWaalsContact CZ-O 3.3Å; F280-G282 WeakPolarHBondContact CZ-O 3.4Å; F280-D367 WeakPolarHBondContact CB-O 3.3Å; F280-D367 PolarHBondContact N-O 3.39Å; F280-V369 HydrophobicContact CB-CG2 4.16Å; F280-V369 HydrophobicContact CD2-CG2 4.28Å; F280-S393 VanDerWaalsContact CE2-CA 3.5Å | ||
| 281 | E | 84 | Confident | 79.6 | Confident | 169 Ų | 169 | 73.5 Ų | 73.5 | 79% | 0.79 | 40% | 0.396 | S | S | * | . | trans | -109.1 | 114.7 | 173 | -62.7 | 179.8 | 178.9 | 0 | 0 | 109.2 | D279 | D279-E281 PolarHBondContact O-N 2.92Š| ||
| 282 | G | 68 | Low | 79.1 | Confident | 52 Ų | 52 | 75.1 Ų | 75.1 | 54% | 0.536 | 40% | 0.404 | S | S | . | . | S | Bend | trans | 137.5 | 170.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | F280 | F280-G282 WeakPolarHBondContact CE1-O 3.35Å; F280-G282 VanDerWaalsContact CZ-O 3.3Å; F280-G282 WeakPolarHBondContact CZ-O 3.4Å |
| 283 | D | 67.1 | Low | 78.4 | Confident | 158 Ų | 158 | 76.4 Ų | 76.4 | 85% | 0.845 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -90.9 | 138.6 | 171.3 | -76.2 | -37.9 | 0 | 0 | 0 | 110.3 | ||
| 284 | C | 66 | Low | 77.7 | Confident | 14 Ų | 14 | 76.5 Ų | 76.5 | 10% | 0.095 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 151.6 | 171.5 | -64.6 | 0 | 0 | 0 | 0 | 111.4 | R286 P390 R392 S393 Y397 | C284-R286 PolarHBondContact O-N 3.1Å; C284-P390 HydrophobicContact CB-CB 3.95Å; C284-P390 HydrophobicContact CB-CG 4.16Å; C284-R392 PolarHBondContact SG-O 2.77Å; C284-S393 WeakPolarHBondContact SG-CB 3.3Å; C284-Y397 HydrophobicContact CB-CE1 3.86Å; C284-Y397 HydrophobicContact CB-CE2 4.45Å |
| 285 | E | 60 | Low | 77.2 | Confident | 170 Ų | 170 | 77 Ų | 77 | 79% | 0.794 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 132.2 | 167.4 | -74.4 | -172.8 | 165 | 0 | 0 | 110.4 | A287 | E285-A287 PolarHBondContact O-N 3.02Š|
| 286 | R | 62.4 | Low | 76.7 | Confident | 164 Ų | 164 | 75.9 Ų | 75.9 | 62% | 0.619 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -75.4 | 128.6 | -172.9 | -70.1 | -178.5 | -179.8 | 172.7 | -0.3 | 111.4 | C284 L296 | C284-R286 PolarHBondContact O-N 3.1Å; R286-L296 HydrophobicContact CB-CD1 3.91Å |
| 287 | A | 65.4 | Low | 76.4 | Confident | 15 Ų | 15 | 74 Ų | 74 | 12% | 0.124 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 150.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | E285 Y289 S387 H388 | E285-A287 PolarHBondContact O-N 3.02Å; A287-Y289 HydrophobicContact CB-CE2 4.26Å; A287-Y289 WeakPolarHBondContact O-CD2 3.46Å; A287-Y289 WeakPolarHBondContact O-CE2 3.26Å; A287-S387 WeakPolarHBondContact CA-O 3.49Å; A287-S387 WeakPolarHBondContact CB-O 3.47Å; A287-H388 VanDerWaalsContact CB-CA 3.49Å; A287-H388 HydrophobicContact CB-CB 4.15Å |
| 288 | I | 70.4 | Confident | 76.3 | Confident | 118 Ų | 118 | 67.5 Ų | 67.5 | 61% | 0.605 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -84.4 | 121.9 | 159.1 | -60 | 172.5 | 0 | 0 | 0 | 107.9 | S387 | I288-S387 WeakPolarHBondContact O-CB 3.47Å; I288-S387 PolarHBondContact O-OG 2.71Å |
| 289 | Y | 73.4 | Confident | 76.1 | Confident | 27 Ų | 27 | 63 Ų | 63 | 11% | 0.106 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -90 | 148 | -178.5 | -64.9 | -88.1 | 0 | 0 | 0 | 112 | A287 G291 Q292 L296 I345 V478 I480 F540 | A287-Y289 HydrophobicContact CB-CE2 4.26Å; A287-Y289 WeakPolarHBondContact O-CD2 3.46Å; A287-Y289 WeakPolarHBondContact O-CE2 3.26Å; Y289-G291 PolarHBondContact O-N 2.82Å; Y289-Q292 WeakPolarHBondContact O-CB 3.41Å; Y289-Q292 PolarHBondContact O-N 3.01Å; Y289-L296 HydrophobicContact CD2-CD2 4.08Å; Y289-L296 HydrophobicContact CE2-CD1 4.14Å; Y289-L296 HydrophobicContact CE2-CD2 3.97Å; Y289-I345 HydrophobicContact CD1-CD1 4.04Å; Y289-I345 HydrophobicContact CD2-CD1 3.84Å; Y289-I345 HydrophobicContact CE1-CD1 3.69Å; Y289-I345 HydrophobicContact CE2-CD1 3.47Å; Y289-I345 VanDerWaalsContact CE2-CD1 3.47Å; Y289-I345 HydrophobicContact CE2-CG1 4.07Å; Y289-I345 HydrophobicContact CG-CD1 4.11Å; Y289-V478 HydrophobicContact CD1-CG2 4.25Å; Y289-V478 HydrophobicContact CE1-CG2 4.19Å; Y289-I480 HydrophobicContact CD1-CD1 4.27Å; Y289-I480 HydrophobicContact CG-CD1 4.38Å; Y289-F540 HydrophobicContact CD2-CD1 4.27Å; Y289-F540 AromaticContact CD2-CE1 3.79Å; Y289-F540 HydrophobicContact CD2-CE1 3.79Å; Y289-F540 AromaticContact CG-CE1 3.75Å; Y289-F540 HydrophobicContact CG-CE1 3.75Å; Y289-F540 HydrophobicContact CG-CZ 4.28Å |
| 290 | P | 65.9 | Low | 76 | Confident | 63 Ų | 63 | 60 Ų | 60 | 41% | 0.409 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 130.2 | 172.5 | -24.1 | 34 | 0 | 0 | 0 | 112.1 | Q292 | P290-Q292 VanDerWaalsContact C-N 3.29Å; P290-Q292 PolarHBondContact O-N 3.08Å |
| 291 | G | 70.5 | Confident | 76.1 | Confident | 19 Ų | 19 | 58.3 Ų | 58.3 | 20% | 0.196 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77 | 8.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y289 A293 E543 | Y289-G291 PolarHBondContact O-N 2.82Å; G291-A293 PolarHBondContact O-N 3.34Å; G291-E543 PolarHBondContact O-N 2.82Å |
| 292 | Q | 75.7 | Confident | 76.4 | Confident | 40 Ų | 40 | 53.8 Ų | 53.8 | 19% | 0.187 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -66.6 | 123.1 | 174 | 178.7 | 176.1 | -9.1 | 0 | 0 | 111.7 | Y289 P290 G294 F540 | Y289-Q292 WeakPolarHBondContact O-CB 3.41Å; Y289-Q292 PolarHBondContact O-N 3.01Å; P290-Q292 VanDerWaalsContact C-N 3.29Å; P290-Q292 PolarHBondContact O-N 3.08Å; Q292-G294 WeakPolarHBondContact CG-O 3.18Å; Q292-G294 PolarHBondContact NE2-O 2.98Å; Q292-F540 VanDerWaalsContact CA-CE2 3.44Å; Q292-F540 HydrophobicContact CB-CD2 3.79Å; Q292-F540 HydrophobicContact CB-CE2 3.71Å; Q292-F540 HydrophobicContact CB-CG 4.32Å; Q292-F540 HydrophobicContact CB-CZ 4.1Å; Q292-F540 HydrophobicContact CG-CB 4.16Å; Q292-F540 HydrophobicContact CG-CD1 4.48Å; Q292-F540 HydrophobicContact CG-CD2 3.76Å; Q292-F540 HydrophobicContact CG-CE2 4.19Å; Q292-F540 HydrophobicContact CG-CG 3.9Å |
| 293 | A | 76.2 | Confident | 77.6 | Confident | 48 Ų | 48 | 54.6 Ų | 54.6 | 40% | 0.397 | 29% | 0.294 | S | S | . | . | trans | -113.3 | 35.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G291 L541 E543 | G291-A293 PolarHBondContact O-N 3.34Å; A293-L541 WeakPolarHBondContact CA-O 3.3Å; A293-L541 WeakPolarHBondContact CB-O 3.41Å; A293-L541 PolarHBondContact N-O 3.32Å; A293-E543 HydrophobicContact CB-CB 4.35Å; A293-E543 HydrophobicContact CB-CG 3.96Å | ||
| 294 | G | 77.2 | Confident | 78.9 | Confident | 25 Ų | 25 | 48.5 Ų | 48.5 | 26% | 0.258 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 163.4 | 173.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q292 | Q292-G294 WeakPolarHBondContact CG-O 3.18Å; Q292-G294 PolarHBondContact NE2-O 2.98Å |
| 295 | P | 83.2 | Confident | 80.1 | Confident | 68 Ų | 68 | 53.3 Ų | 53.3 | 44% | 0.442 | 28% | 0.281 | S | S | . | . | trans | -65.3 | 159.1 | 175.4 | 28.5 | -34.5 | 0 | 0 | 0 | 111.9 | P333 | P295-P333 HydrophobicContact CG-CB 3.89Å; P295-P333 HydrophobicContact CG-CG 3.72Å | ||
| 296 | L | 84 | Confident | 81.7 | Confident | 29 Ų | 29 | 48.1 Ų | 48.1 | 15% | 0.152 | 26% | 0.257 | C | S | . | . | trans | -67.4 | 142.6 | 169.3 | -64.2 | 166 | 0 | 0 | 0 | 109.3 | R286 Y289 I345 T538 T539 F540 | R286-L296 HydrophobicContact CB-CD1 3.91Å; Y289-L296 HydrophobicContact CD2-CD2 4.08Å; Y289-L296 HydrophobicContact CE2-CD1 4.14Å; Y289-L296 HydrophobicContact CE2-CD2 3.97Å; L296-I345 HydrophobicContact CD2-CD1 4.48Å; L296-I345 HydrophobicContact CD2-CG1 4.26Å; L296-T538 HydrophobicContact CB-CG2 4.38Å; L296-T538 HydrophobicContact CD2-CG2 4.25Å; L296-T539 WeakPolarHBondContact CA-O 3.47Å; L296-F540 HydrophobicContact CD2-CB 4.08Å; L296-F540 HydrophobicContact CD2-CD1 3.6Å; L296-F540 HydrophobicContact CD2-CE1 4.5Å; L296-F540 HydrophobicContact CD2-CG 4.27Å | ||
| 297 | F | 85.9 | Confident | 83 | Confident | 5 Ų | 5 | 44.4 Ų | 44.4 | 2% | 0.022 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 162.6 | 176.1 | 69.8 | -87.6 | 0 | 0 | 0 | 110.3 | A299 L323 Q330 G331 L332 L342 T539 | F297-A299 HydrophobicContact CE2-CB 4.31Å; F297-L323 HydrophobicContact CE2-CD2 4.04Å; F297-L323 HydrophobicContact CZ-CD2 4.43Å; F297-Q330 WeakPolarHBondContact CB-O 3.27Å; F297-G331 VanDerWaalsContact CB-O 3.27Å; F297-G331 WeakPolarHBondContact CB-O 3.38Å; F297-L332 HydrophobicContact CD1-CD1 4.18Å; F297-L332 HydrophobicContact CD2-CB 4.4Å; F297-L332 HydrophobicContact CE1-CD1 3.4Å; F297-L332 VanDerWaalsContact CE1-CD1 3.4Å; F297-L332 HydrophobicContact CE2-CB 4.07Å; F297-L332 HydrophobicContact CE2-CD1 4.12Å; F297-L332 HydrophobicContact CZ-CB 4.17Å; F297-L332 HydrophobicContact CZ-CD1 3.35Å; F297-L332 HydrophobicContact CZ-CG 4.36Å; F297-L342 HydrophobicContact CE1-CD1 3.72Å; F297-L342 HydrophobicContact CZ-CD1 3.41Å; F297-L342 VanDerWaalsContact CZ-CD1 3.41Å; F297-L342 HydrophobicContact CZ-CD2 4.47Å; F297-T539 VanDerWaalsContact CD1-O 3.26Å; F297-T539 WeakPolarHBondContact CD1-O 3.37Å; F297-T539 WeakPolarHBondContact CE2-OG1 3.33Å; F297-T539 WeakPolarHBondContact CZ-OG1 3.34Å; F297-T539 PolarHBondContact N-O 2.71Å; F297-T539 PolarHBondContact O-N 3.14Å |
| 298 | Q | 89.7 | Confident | 84.2 | Confident | 22 Ų | 22 | 44.9 Ų | 44.9 | 10% | 0.103 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 137.9 | 174 | -59.3 | -59.7 | -46 | 0 | 0 | 109.8 | L329 Q330 V537 T538 | Q298-L329 HydrophobicContact CB-CB 4.04Å; Q298-L329 HydrophobicContact CB-CD1 3.97Å; Q298-L329 HydrophobicContact CB-CG 4.43Å; Q298-L329 HydrophobicContact CG-CB 4.08Å; Q298-L329 HydrophobicContact CG-CD1 3.9Å; Q298-L329 HydrophobicContact CG-CD2 3.88Å; Q298-L329 HydrophobicContact CG-CG 4.15Å; Q298-Q330 PolarHBondContact N-O 2.74Å; Q298-V537 WeakPolarHBondContact CA-O 3.29Å; Q298-T538 PolarHBondContact NE2-OG1 3.32Å; Q298-T538 PolarHBondContact OE1-OG1 2.78Å |
| 299 | A | 88.6 | Confident | 84.9 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 139.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | F297 L321 D322 L323 Q536 V537 | F297-A299 HydrophobicContact CE2-CB 4.31Å; A299-L321 HydrophobicContact CB-CB 4.21Å; A299-L321 HydrophobicContact CB-CD1 4Å; A299-D322 CarbonylContact C-O 3.52Å; A299-D322 VanDerWaalsContact CA-O 3.29Å; A299-D322 WeakPolarHBondContact CA-O 3.48Å; A299-L323 HydrophobicContact CB-CD2 4Å; A299-Q536 WeakPolarHBondContact O-CA 3.43Å; A299-V537 HydrophobicContact CB-CG1 4.04Å; A299-V537 PolarHBondContact N-O 3.43Å; A299-V537 PolarHBondContact O-N 3.39Å |
| 300 | T | 91.9 | Very high | 85.5 | Confident | 17 Ų | 17 | 49.5 Ų | 49.5 | 10% | 0.104 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 131.3 | 178.5 | -52.4 | 0 | 0 | 0 | 0 | 109.7 | L302 L321 D322 D535 Q536 | T300-L302 PolarHBondContact O-N 2.89Å; T300-L321 CarbonylContact O-C 3.59Å; T300-L321 VanDerWaalsContact O-CA 3.25Å; T300-L321 WeakPolarHBondContact O-CA 3.16Å; T300-D322 PolarHBondContact N-O 2.78Å; T300-D322 PolarHBondContact O-N 2.8Å; T300-D535 CarbonylContact C-O 3.42Å; T300-D535 WeakPolarHBondContact CA-O 3.25Å; T300-Q536 PolarHBondContact OG1-NE2 2.84Å; T300-Q536 PolarHBondContact OG1-OE1 2.97Å |
| 301 | I | 92.4 | Very high | 86.3 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 119.4 | 172.2 | -51.5 | -45.7 | 0 | 0 | 0 | 108.9 | N304 L319 L321 L531 K532 P533 G534 D535 V537 | I301-N304 HydrophobicContact CG2-CB 4.27Å; I301-L319 HydrophobicContact CD1-CD1 3.98Å; I301-L319 HydrophobicContact CG2-CD1 4.05Å; I301-L321 HydrophobicContact CD1-CD2 3.17Å; I301-L321 HydrophobicContact CG1-CD2 4.44Å; I301-L531 HydrophobicContact CD1-CD1 4.01Å; I301-L531 HydrophobicContact CG1-CB 3.95Å; I301-L531 HydrophobicContact CG1-CD1 4.19Å; I301-K532 WeakPolarHBondContact CB-O 3.34Å; I301-P533 CarbonylContact O-C 3.52Å; I301-P533 VanDerWaalsContact O-CA 3.3Å; I301-P533 WeakPolarHBondContact O-CA 3.48Å; I301-G534 PolarHBondContact O-N 3.49Å; I301-D535 HydrophobicContact CG1-CB 4.09Å; I301-D535 WeakPolarHBondContact CG1-O 3.3Å; I301-D535 PolarHBondContact N-O 2.87Å; I301-V537 HydrophobicContact CD1-CB 4.29Å; I301-V537 HydrophobicContact CD1-CG1 3.78Å |
| 302 | L | 91.5 | Very high | 86.9 | Confident | 74 Ų | 74 | 54.2 Ų | 54.2 | 39% | 0.387 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | -39.9 | 170.6 | -64 | 179.3 | 0 | 0 | 0 | 111.2 | T300 Q320 D322 V500 P533 | T300-L302 PolarHBondContact O-N 2.89Å; L302-Q320 HydrophobicContact CB-CB 4.04Å; L302-Q320 PolarHBondContact N-O 2.83Å; L302-D322 HydrophobicContact CD1-CB 4.03Å; L302-D322 HydrophobicContact CD2-CB 4.08Å; L302-D322 HydrophobicContact CG-CB 4.02Å; L302-V500 HydrophobicContact CD1-CB 4.38Å; L302-V500 HydrophobicContact CD1-CG1 3.82Å; L302-V500 HydrophobicContact CD1-CG2 3.71Å; L302-P533 WeakPolarHBondContact O-CB 3.16Å |
| 303 | Q | 92.1 | Very high | 87.2 | Confident | 70 Ų | 70 | 60.7 Ų | 60.7 | 33% | 0.327 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 144.1 | 179.9 | -172.3 | 174.8 | 60.6 | 0 | 0 | 110.3 | K305 L319 Q320 | Q303-K305 HydrophobicContact CG-CB 3.84Å; Q303-L319 CarbonylContact O-C 3.52Å; Q303-L319 VanDerWaalsContact O-CA 3.3Å; Q303-L319 WeakPolarHBondContact O-CA 3.42Å; Q303-Q320 HydrophobicContact CB-CB 3.94Å; Q303-Q320 HydrophobicContact CB-CG 3.98Å; Q303-Q320 PolarHBondContact N-O 2.86Å; Q303-Q320 PolarHBondContact O-N 2.8Å |
| 304 | N | 93.7 | Very high | 87.6 | Confident | 29 Ų | 29 | 64.8 Ų | 64.8 | 16% | 0.155 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 91.3 | 169.8 | -173.1 | 15.9 | 0 | 0 | 0 | 108 | I301 I318 L319 Y505 L528 L531 | I301-N304 HydrophobicContact CG2-CB 4.27Å; N304-I318 CarbonylContact C-O 3.33Å; N304-I318 WeakPolarHBondContact CA-O 3.04Å; N304-L319 HydrophobicContact CB-CD1 3.93Å; N304-Y505 PolarHBondContact OD1-OH 3.08Å; N304-L528 PolarHBondContact ND2-O 2.81Å; N304-L531 PolarHBondContact ND2-O 2.9Å |
| 305 | K | 93 | Very high | 88.3 | Confident | 116 Ų | 116 | 66.2 Ų | 66.2 | 50% | 0.504 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 127.4 | -164.8 | 179 | 178.6 | 176.6 | -175.4 | 0 | 111.1 | Q303 I307 F317 I318 | Q303-K305 HydrophobicContact CG-CB 3.84Å; K305-I307 PolarHBondContact O-N 2.81Å; K305-F317 CarbonylContact O-C 3.55Å; K305-F317 VanDerWaalsContact O-CA 3.26Å; K305-F317 WeakPolarHBondContact O-CA 3.46Å; K305-I318 PolarHBondContact N-O 2.95Å; K305-I318 PolarHBondContact O-N 2.95Å |
| 306 | Q | 93.4 | Very high | 88.6 | Confident | 61 Ų | 61 | 65.3 Ų | 65.3 | 29% | 0.285 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 130.4 | 169.2 | -168.4 | 178.1 | -55.6 | 0 | 0 | 110.3 | T308 F309 K316 F317 | Q306-T308 PolarHBondContact NE2-O 2.95Å; Q306-F309 PolarHBondContact NE2-O 3.05Å; Q306-K316 WeakPolarHBondContact CA-O 3.5Å; Q306-K316 WeakPolarHBondContact CG-O 3.12Å; Q306-F317 HydrophobicContact CB-CD1 4.01Å; Q306-F317 HydrophobicContact CB-CE1 3.7Å; Q306-F317 HydrophobicContact CB-CZ 4.1Å; Q306-F317 HydrophobicContact CG-CE1 4.28Å; Q306-F317 HydrophobicContact CG-CZ 4.19Å |
| 307 | I | 89.4 | Confident | 88.9 | Confident | 86 Ų | 86 | 64.8 Ų | 64.8 | 44% | 0.441 | 31% | 0.312 | S | S | . | . | trans | -108.5 | -16.7 | 179.3 | 53.6 | 162.8 | 0 | 0 | 0 | 113.8 | K305 K316 I318 V504 | K305-I307 PolarHBondContact O-N 2.81Å; I307-K316 HydrophobicContact CD1-CB 4.21Å; I307-K316 HydrophobicContact CG1-CB 3.94Å; I307-K316 VanDerWaalsContact CG1-O 3.3Å; I307-K316 WeakPolarHBondContact CG1-O 3.47Å; I307-K316 PolarHBondContact N-O 3.16Å; I307-I318 HydrophobicContact CD1-CD1 4.42Å; I307-I318 HydrophobicContact CD1-CG1 4.06Å; I307-I318 HydrophobicContact CG1-CG1 4.45Å; I307-I318 HydrophobicContact CG2-CB 4.18Å; I307-I318 HydrophobicContact CG2-CD1 3.5Å; I307-I318 HydrophobicContact CG2-CG1 3.56Å; I307-V504 HydrophobicContact CD1-CG1 4.36Å | ||
| 308 | T | 89.4 | Confident | 89.1 | Confident | 24 Ų | 24 | 67 Ų | 67 | 15% | 0.147 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -84 | 160.5 | 170.3 | 45.8 | 0 | 0 | 0 | 0 | 111 | Q306 D312 K315 K316 | Q306-T308 PolarHBondContact NE2-O 2.95Å; T308-D312 VanDerWaalsContact CB-OD2 3.28Å; T308-D312 WeakPolarHBondContact CB-OD2 3.43Å; T308-K315 WeakPolarHBondContact OG1-CA 3.42Å; T308-K316 HydrophobicContact CG2-CB 3.76Å; T308-K316 HydrophobicContact CG2-CD 3.78Å; T308-K316 HydrophobicContact CG2-CG 3.8Å; T308-K316 PolarHBondContact OG1-N 3.29Å |
| 309 | F | 86.7 | Confident | 89 | Confident | 149 Ų | 149 | 66 Ų | 66 | 65% | 0.654 | 32% | 0.318 | S | S | * | . | trans | -63.8 | 147.4 | 173.5 | -65.8 | -73.3 | 0 | 0 | 0 | 110.8 | Q306 E311 D312 | Q306-F309 PolarHBondContact NE2-O 3.05Å; F309-E311 WeakPolarHBondContact CB-OE2 3.47Å; F309-E311 PolarHBondContact O-N 2.97Å; F309-E311 VanDerWaalsContact O-N 3.14Å; F309-D312 PolarHBondContact N-OD2 3.22Å; F309-D312 VanDerWaalsContact N-OD2 3.12Å; F309-D312 VanDerWaalsContact O-CB 3.24Å; F309-D312 WeakPolarHBondContact O-CB 3.49Å; F309-D312 PolarHBondContact O-N 3.41Å | ||
| 310 | P | 84.3 | Confident | 89 | Confident | 94 Ų | 94 | 67.8 Ų | 67.8 | 61% | 0.61 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -30 | 179.9 | -27.3 | 36.1 | 0 | 0 | 0 | 114.5 | D312 | P310-D312 VanDerWaalsContact C-N 3.3Š|
| 311 | E | 83.7 | Confident | 88.8 | Confident | 154 Ų | 154 | 67 Ų | 67 | 72% | 0.72 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -6.6 | -177.2 | -48.9 | 74.8 | -161.6 | 0 | 0 | 112.7 | F309 E313 | F309-E311 WeakPolarHBondContact CB-OE2 3.47Å; F309-E311 PolarHBondContact O-N 2.97Å; F309-E311 VanDerWaalsContact O-N 3.14Å; E311-E313 PolarHBondContact O-N 3.48Å |
| 312 | D | 82.2 | Confident | 88.6 | Confident | 26 Ų | 26 | 68.6 Ų | 68.6 | 14% | 0.139 | 33% | 0.33 | C | S | . | . | trans | -71.3 | 126 | -178.2 | -72.5 | -24.6 | 0 | 0 | 0 | 111.6 | T308 F309 P310 K314 K598 | T308-D312 VanDerWaalsContact CB-OD2 3.28Å; T308-D312 WeakPolarHBondContact CB-OD2 3.43Å; F309-D312 PolarHBondContact N-OD2 3.22Å; F309-D312 VanDerWaalsContact N-OD2 3.12Å; F309-D312 VanDerWaalsContact O-CB 3.24Å; F309-D312 WeakPolarHBondContact O-CB 3.49Å; F309-D312 PolarHBondContact O-N 3.41Å; P310-D312 VanDerWaalsContact C-N 3.3Å; D312-K314 PolarHBondContact O-N 3.39Å; D312-K598 IonicContact OD1-NZ 3.92Å; D312-K598 PolarHBondContact OD1-NZ 2.98Å; D312-K598 IonicContact OD2-NZ 3.28Å; D312-K598 PolarHBondContact OD2-NZ 3.45Å | ||
| 313 | E | 82 | Confident | 88.4 | Confident | 177 Ų | 177 | 65.2 Ų | 65.2 | 83% | 0.827 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -54.2 | -39.7 | 178.1 | -173.4 | -173.5 | -177.9 | 0 | 0 | 112.9 | E311 | E311-E313 PolarHBondContact O-N 3.48Š|
| 314 | K | 85.8 | Confident | 87.8 | Confident | 134 Ų | 134 | 66.9 Ų | 66.9 | 58% | 0.583 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -104.2 | 97 | 175.1 | -66.8 | -169.9 | 179.8 | -171.5 | 0 | 110.3 | D312 T506 | D312-K314 PolarHBondContact O-N 3.39Å; K314-T506 HydrophobicContact CB-CG2 4.28Å |
| 315 | K | 91 | Very high | 86.9 | Confident | 54 Ų | 54 | 68.7 Ų | 68.7 | 24% | 0.235 | 34% | 0.339 | C | S | . | . | trans | -73.3 | 130.5 | 176.9 | -59.5 | 170.6 | -167 | 137.1 | 0 | 110.9 | T308 F317 L507 E509 | T308-K315 WeakPolarHBondContact OG1-CA 3.42Å; K315-F317 HydrophobicContact CB-CE2 3.81Å; K315-F317 HydrophobicContact CB-CZ 4.47Å; K315-L507 HydrophobicContact CB-CB 4.3Å; K315-L507 HydrophobicContact CD-CD2 4.25Å; K315-L507 PolarHBondContact O-N 2.88Å; K315-E509 VanDerWaalsContact NZ-CD 3.31Å; K315-E509 IonicContact NZ-OE1 3.62Å; K315-E509 PolarHBondContact NZ-OE1 3Å; K315-E509 IonicContact NZ-OE2 2.68Å; K315-E509 PolarHBondContact NZ-OE2 2.89Å | ||
| 316 | K | 90 | Very high | 85.6 | Confident | 50 Ų | 50 | 65.5 Ų | 65.5 | 22% | 0.217 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 143.6 | 179.2 | -58.5 | 171.5 | -178.6 | 174.1 | 0 | 110.4 | Q306 I307 T308 Y505 T506 T564 | Q306-K316 WeakPolarHBondContact CA-O 3.5Å; Q306-K316 WeakPolarHBondContact CG-O 3.12Å; I307-K316 HydrophobicContact CD1-CB 4.21Å; I307-K316 HydrophobicContact CG1-CB 3.94Å; I307-K316 VanDerWaalsContact CG1-O 3.3Å; I307-K316 WeakPolarHBondContact CG1-O 3.47Å; I307-K316 PolarHBondContact N-O 3.16Å; T308-K316 HydrophobicContact CG2-CB 3.76Å; T308-K316 HydrophobicContact CG2-CD 3.78Å; T308-K316 HydrophobicContact CG2-CG 3.8Å; T308-K316 PolarHBondContact OG1-N 3.29Å; K316-Y505 WeakPolarHBondContact CA-O 3.45Å; K316-T506 HydrophobicContact CG-CG2 4.47Å; K316-T564 HydrophobicContact CB-CG2 4.35Å; K316-T564 HydrophobicContact CD-CG2 3.71Å; K316-T564 HydrophobicContact CG-CG2 3.91Å |
| 317 | F | 89.7 | Confident | 84.4 | Confident | 18 Ų | 18 | 66.3 Ų | 66.3 | 8% | 0.079 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 143.5 | -174 | -67.4 | -100.4 | 0 | 0 | 0 | 110.7 | K305 Q306 K315 V504 Y505 L507 | K305-F317 CarbonylContact O-C 3.55Å; K305-F317 VanDerWaalsContact O-CA 3.26Å; K305-F317 WeakPolarHBondContact O-CA 3.46Å; Q306-F317 HydrophobicContact CB-CD1 4.01Å; Q306-F317 HydrophobicContact CB-CE1 3.7Å; Q306-F317 HydrophobicContact CB-CZ 4.1Å; Q306-F317 HydrophobicContact CG-CE1 4.28Å; Q306-F317 HydrophobicContact CG-CZ 4.19Å; K315-F317 HydrophobicContact CB-CE2 3.81Å; K315-F317 HydrophobicContact CB-CZ 4.47Å; F317-V504 WeakPolarHBondContact O-CA 2.92Å; F317-Y505 HydrophobicContact CB-CD1 4Å; F317-Y505 HydrophobicContact CB-CD2 4.5Å; F317-Y505 HydrophobicContact CB-CE1 3.41Å; F317-Y505 VanDerWaalsContact CB-CE1 3.41Å; F317-Y505 HydrophobicContact CB-CE2 3.99Å; F317-Y505 AromaticContact CD2-CE2 3.9Å; F317-Y505 HydrophobicContact CD2-CE2 3.9Å; F317-Y505 HydrophobicContact CG-CE1 4.25Å; F317-Y505 HydrophobicContact CG-CE2 4.09Å; F317-Y505 AromaticContact CG-CZ 3.71Å; F317-Y505 WeakPolarHBondContact CG-OH 3.45Å; F317-Y505 PolarHBondContact N-O 3.43Å; F317-Y505 PolarHBondContact O-N 3.27Å; F317-Y505 VanDerWaalsContact O-N 3.13Å; F317-L507 HydrophobicContact CD2-CB 4.31Å; F317-L507 HydrophobicContact CE2-CB 3.87Å; F317-L507 HydrophobicContact CE2-CD2 4.21Å |
| 318 | I | 89.9 | Confident | 83.4 | Confident | 51 Ų | 51 | 70.4 Ų | 70.4 | 26% | 0.262 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 123 | 160.9 | -68.8 | 178.8 | 0 | 0 | 0 | 107.7 | N304 K305 I307 Q320 D502 F503 V504 | N304-I318 CarbonylContact C-O 3.33Å; N304-I318 WeakPolarHBondContact CA-O 3.04Å; K305-I318 PolarHBondContact N-O 2.95Å; K305-I318 PolarHBondContact O-N 2.95Å; I307-I318 HydrophobicContact CD1-CD1 4.42Å; I307-I318 HydrophobicContact CD1-CG1 4.06Å; I307-I318 HydrophobicContact CG1-CG1 4.45Å; I307-I318 HydrophobicContact CG2-CB 4.18Å; I307-I318 HydrophobicContact CG2-CD1 3.5Å; I307-I318 HydrophobicContact CG2-CG1 3.56Å; I318-Q320 HydrophobicContact CG2-CG 4.06Å; I318-D502 HydrophobicContact CG2-CB 4.38Å; I318-F503 CarbonylContact C-O 3.53Å; I318-F503 WeakPolarHBondContact CA-O 3.46Å; I318-V504 HydrophobicContact CG1-CG2 4.27Å |
| 319 | L | 89.1 | Confident | 82.5 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 116.6 | 172.6 | -178.6 | 71.9 | 0 | 0 | 0 | 108.1 | I301 Q303 N304 L321 F344 D502 F503 Y505 L528 | I301-L319 HydrophobicContact CD1-CD1 3.98Å; I301-L319 HydrophobicContact CG2-CD1 4.05Å; Q303-L319 CarbonylContact O-C 3.52Å; Q303-L319 VanDerWaalsContact O-CA 3.3Å; Q303-L319 WeakPolarHBondContact O-CA 3.42Å; N304-L319 HydrophobicContact CB-CD1 3.93Å; L319-L321 HydrophobicContact CD1-CD2 4.21Å; L319-L321 HydrophobicContact CD2-CD1 4.46Å; L319-L321 HydrophobicContact CD2-CD2 3.99Å; L319-L321 HydrophobicContact CD2-CG 4.32Å; L319-L321 HydrophobicContact CG-CD2 3.84Å; L319-L321 HydrophobicContact CG-CG 4.23Å; L319-F344 HydrophobicContact CD2-CE1 4.36Å; L319-F344 HydrophobicContact CD2-CE2 4.43Å; L319-F344 HydrophobicContact CD2-CZ 3.82Å; L319-D502 CarbonylContact O-C 3.49Å; L319-D502 WeakPolarHBondContact O-CA 3.37Å; L319-F503 HydrophobicContact CB-CB 4.2Å; L319-F503 PolarHBondContact N-O 3.13Å; L319-F503 WeakPolarHBondContact O-CD2 3.32Å; L319-F503 PolarHBondContact O-N 3.03Å; L319-Y505 HydrophobicContact CB-CD1 4.33Å; L319-Y505 HydrophobicContact CB-CE1 4.06Å; L319-L528 HydrophobicContact CD2-CD1 4.45Å; L319-L528 HydrophobicContact CD2-CD2 4.02Å |
| 320 | Q | 88.3 | Confident | 81.9 | Confident | 39 Ų | 39 | 72.2 Ų | 72.2 | 18% | 0.182 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 129.9 | 171.5 | -58 | -169.6 | -54.7 | 0 | 0 | 108.8 | L302 Q303 I318 G501 D502 | L302-Q320 HydrophobicContact CB-CB 4.04Å; L302-Q320 PolarHBondContact N-O 2.83Å; Q303-Q320 HydrophobicContact CB-CB 3.94Å; Q303-Q320 HydrophobicContact CB-CG 3.98Å; Q303-Q320 PolarHBondContact N-O 2.86Å; Q303-Q320 PolarHBondContact O-N 2.8Å; I318-Q320 HydrophobicContact CG2-CG 4.06Å; Q320-G501 CarbonylContact C-O 3.52Å; Q320-G501 WeakPolarHBondContact CA-O 3.36Å; Q320-D502 HydrophobicContact CG-CB 4.42Å; Q320-D502 VanDerWaalsContact CG-OD1 3.3Å; Q320-D502 WeakPolarHBondContact CG-OD1 3.05Å; Q320-D502 PolarHBondContact NE2-OD1 2.66Å |
| 321 | L | 88.1 | Confident | 81.6 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 136.5 | -179.9 | -58.4 | -175.8 | 0 | 0 | 0 | 110.4 | A299 T300 I301 L319 L323 L342 F344 V500 G501 F503 V537 | A299-L321 HydrophobicContact CB-CB 4.21Å; A299-L321 HydrophobicContact CB-CD1 4Å; T300-L321 CarbonylContact O-C 3.59Å; T300-L321 VanDerWaalsContact O-CA 3.25Å; T300-L321 WeakPolarHBondContact O-CA 3.16Å; I301-L321 HydrophobicContact CD1-CD2 3.17Å; I301-L321 HydrophobicContact CG1-CD2 4.44Å; L319-L321 HydrophobicContact CD1-CD2 4.21Å; L319-L321 HydrophobicContact CD2-CD1 4.46Å; L319-L321 HydrophobicContact CD2-CD2 3.99Å; L319-L321 HydrophobicContact CD2-CG 4.32Å; L319-L321 HydrophobicContact CG-CD2 3.84Å; L319-L321 HydrophobicContact CG-CG 4.23Å; L321-L323 HydrophobicContact CB-CD2 3.93Å; L321-L323 HydrophobicContact CD1-CD2 4.29Å; L321-L342 HydrophobicContact CD1-CD2 3.94Å; L321-F344 HydrophobicContact CD1-CE1 3.65Å; L321-F344 HydrophobicContact CD1-CZ 3.8Å; L321-V500 CarbonylContact O-C 3.51Å; L321-V500 VanDerWaalsContact O-CA 3.23Å; L321-V500 WeakPolarHBondContact O-CA 3.38Å; L321-G501 PolarHBondContact N-O 3.45Å; L321-G501 PolarHBondContact O-N 3.27Å; L321-F503 HydrophobicContact CB-CD2 4.46Å; L321-F503 HydrophobicContact CB-CE2 3.89Å; L321-F503 HydrophobicContact CD1-CD2 3.83Å; L321-F503 HydrophobicContact CD1-CE2 3.37Å; L321-F503 HydrophobicContact CD1-CZ 3.91Å; L321-F503 HydrophobicContact CG-CD2 3.82Å; L321-F503 HydrophobicContact CG-CE2 3.59Å; L321-V537 HydrophobicContact CD1-CG1 4.48Å; L321-V537 HydrophobicContact CD2-CG1 4.21Å |
| 322 | D | 88.2 | Confident | 81.3 | Confident | 34 Ų | 34 | 62.5 Ų | 62.5 | 18% | 0.182 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 118.2 | 157.3 | -168.5 | 4.9 | 0 | 0 | 0 | 109.2 | A299 T300 L302 Q324 S499 | A299-D322 CarbonylContact C-O 3.52Å; A299-D322 VanDerWaalsContact CA-O 3.29Å; A299-D322 WeakPolarHBondContact CA-O 3.48Å; T300-D322 PolarHBondContact N-O 2.78Å; T300-D322 PolarHBondContact O-N 2.8Å; L302-D322 HydrophobicContact CD1-CB 4.03Å; L302-D322 HydrophobicContact CD2-CB 4.08Å; L302-D322 HydrophobicContact CG-CB 4.02Å; D322-Q324 WeakPolarHBondContact OD1-CB 3.22Å; D322-Q324 PolarHBondContact OD1-N 2.8Å; D322-S499 WeakPolarHBondContact OD1-CB 3.43Å; D322-S499 PolarHBondContact OD1-OG 3.12Å |
| 323 | L | 85.9 | Confident | 80.7 | Confident | 4 Ų | 4 | 64.4 Ų | 64.4 | 2% | 0.021 | 35% | 0.354 | C | S | . | . | trans | -94.4 | -0.5 | 178.9 | -50.2 | 175.5 | 0 | 0 | 0 | 111.5 | F297 A299 L321 G331 L332 Y336 L342 I485 S499 | F297-L323 HydrophobicContact CE2-CD2 4.04Å; F297-L323 HydrophobicContact CZ-CD2 4.43Å; A299-L323 HydrophobicContact CB-CD2 4Å; L321-L323 HydrophobicContact CB-CD2 3.93Å; L321-L323 HydrophobicContact CD1-CD2 4.29Å; L323-G331 CarbonylContact O-C 3.57Å; L323-G331 WeakPolarHBondContact O-CA 3.46Å; L323-L332 HydrophobicContact CB-CB 4.11Å; L323-L332 HydrophobicContact CD1-CD2 4.47Å; L323-L332 PolarHBondContact O-N 3.27Å; L323-Y336 HydrophobicContact CD1-CE1 4.31Å; L323-L342 HydrophobicContact CD2-CD2 4.35Å; L323-I485 HydrophobicContact CD1-CD1 4.35Å; L323-I485 HydrophobicContact CD1-CG2 4.47Å; L323-S499 WeakPolarHBondContact CA-O 3.36Å; L323-S499 WeakPolarHBondContact CB-O 3.47Å; L323-S499 VanDerWaalsContact CG-O 3.28Å; L323-S499 WeakPolarHBondContact CG-O 3.22Å; L323-S499 PolarHBondContact N-O 3.06Å | ||
| 324 | Q | 80.5 | Confident | 80.1 | Confident | 105 Ų | 105 | 58.9 Ų | 58.9 | 49% | 0.491 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -74.2 | 160.2 | 174 | -108.3 | 166.2 | 51.6 | 0 | 0 | 110.9 | D322 S326 S499 | D322-Q324 WeakPolarHBondContact OD1-CB 3.22Å; D322-Q324 PolarHBondContact OD1-N 2.8Å; Q324-S326 PolarHBondContact O-N 2.82Å; Q324-S499 VanDerWaalsContact CB-CB 3.46Å; Q324-S499 VanDerWaalsContact CD-CB 3.41Å; Q324-S499 VanDerWaalsContact CD-OG 3.27Å; Q324-S499 PolarHBondContact NE2-OG 3.4Å; Q324-S499 VanDerWaalsContact NE2-OG 3.12Å |
| 325 | A | 75.1 | Confident | 79.3 | Confident | 66 Ų | 66 | 57.2 Ų | 57.2 | 55% | 0.545 | 35% | 0.345 | S | S | . | . | trans | -62.8 | 128.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | L329 | A325-L329 VanDerWaalsContact CA-O 3.28Å; A325-L329 WeakPolarHBondContact CA-O 3.39Å; A325-L329 VanDerWaalsContact CB-O 3.27Å; A325-L329 WeakPolarHBondContact CB-O 3.24Å | ||
| 326 | S | 64.8 | Low | 78.5 | Confident | 50 Ų | 50 | 57 Ų | 57 | 35% | 0.35 | 34% | 0.343 | S | S | . | . | B | Isolated β-bridge | trans | -117.2 | 117.8 | 177.5 | -175.5 | 0 | 0 | 0 | 0 | 109.5 | Q324 N328 L329 | Q324-S326 PolarHBondContact O-N 2.82Å; S326-N328 PolarHBondContact O-N 2.81Å; S326-L329 PolarHBondContact N-O 3.09Å; S326-L329 WeakPolarHBondContact O-CB 3.4Å; S326-L329 PolarHBondContact O-N 2.87Å |
| 327 | G | 67.9 | Low | 77.8 | Confident | 77 Ų | 77 | 60.1 Ų | 60.1 | 79% | 0.794 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | -121.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 328 | N | 68.5 | Low | 77.1 | Confident | 173 Ų | 173 | 60.6 Ų | 60.6 | 93% | 0.925 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 0.3 | 178.3 | -67.6 | -16.1 | 0 | 0 | 0 | 113.7 | S326 | S326-N328 PolarHBondContact O-N 2.81Š|
| 329 | L | 70.5 | Confident | 76.2 | Confident | 71 Ų | 71 | 58.3 Ų | 58.3 | 37% | 0.372 | 35% | 0.353 | S | S | . | . | B | Isolated β-bridge | trans | -90.6 | 131.1 | -174.3 | -58.6 | 170.7 | 0 | 0 | 0 | 110.4 | Q298 A325 S326 G331 Q536 | Q298-L329 HydrophobicContact CB-CB 4.04Å; Q298-L329 HydrophobicContact CB-CD1 3.97Å; Q298-L329 HydrophobicContact CB-CG 4.43Å; Q298-L329 HydrophobicContact CG-CB 4.08Å; Q298-L329 HydrophobicContact CG-CD1 3.9Å; Q298-L329 HydrophobicContact CG-CD2 3.88Å; Q298-L329 HydrophobicContact CG-CG 4.15Å; A325-L329 VanDerWaalsContact CA-O 3.28Å; A325-L329 WeakPolarHBondContact CA-O 3.39Å; A325-L329 VanDerWaalsContact CB-O 3.27Å; A325-L329 WeakPolarHBondContact CB-O 3.24Å; S326-L329 PolarHBondContact N-O 3.09Å; S326-L329 WeakPolarHBondContact O-CB 3.4Å; S326-L329 PolarHBondContact O-N 2.87Å; L329-G331 PolarHBondContact O-N 3.34Å; L329-Q536 HydrophobicContact CD1-CG 4.09Å |
| 330 | Q | 74.2 | Confident | 75.7 | Confident | 139 Ų | 139 | 59 Ų | 59 | 65% | 0.65 | 36% | 0.356 | S | S | * | . | trans | -66.6 | 128.5 | 172.5 | -66.5 | -177.3 | 1.1 | 0 | 0 | 109.5 | F297 Q298 | F297-Q330 WeakPolarHBondContact CB-O 3.27Å; Q298-Q330 PolarHBondContact N-O 2.74Å | ||
| 331 | G | 77.7 | Confident | 75.1 | Confident | 10 Ų | 10 | 57.5 Ų | 57.5 | 10% | 0.103 | 35% | 0.35 | C | S | . | . | trans | -83.9 | -165.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F297 L323 L329 P333 | F297-G331 VanDerWaalsContact CB-O 3.27Å; F297-G331 WeakPolarHBondContact CB-O 3.38Å; L323-G331 CarbonylContact O-C 3.57Å; L323-G331 WeakPolarHBondContact O-CA 3.46Å; L329-G331 PolarHBondContact O-N 3.34Å; G331-P333 WeakPolarHBondContact O-CD 3.46Å | ||
| 332 | L | 78.1 | Confident | 74.8 | Confident | 34 Ų | 34 | 57.5 Ų | 57.5 | 18% | 0.178 | 35% | 0.35 | C | S | . | . | trans | -57.7 | 120.7 | 179.5 | -175.2 | 75.4 | 0 | 0 | 0 | 110.5 | F297 L323 C334 Y336 L541 | F297-L332 HydrophobicContact CD1-CD1 4.18Å; F297-L332 HydrophobicContact CD2-CB 4.4Å; F297-L332 HydrophobicContact CE1-CD1 3.4Å; F297-L332 VanDerWaalsContact CE1-CD1 3.4Å; F297-L332 HydrophobicContact CE2-CB 4.07Å; F297-L332 HydrophobicContact CE2-CD1 4.12Å; F297-L332 HydrophobicContact CZ-CB 4.17Å; F297-L332 HydrophobicContact CZ-CD1 3.35Å; F297-L332 HydrophobicContact CZ-CG 4.36Å; L323-L332 HydrophobicContact CB-CB 4.11Å; L323-L332 HydrophobicContact CD1-CD2 4.47Å; L323-L332 PolarHBondContact O-N 3.27Å; L332-C334 WeakPolarHBondContact CD2-O 3.49Å; L332-C334 WeakPolarHBondContact CG-O 2.95Å; L332-C334 PolarHBondContact O-N 3.35Å; L332-Y336 HydrophobicContact CD2-CD1 3.28Å; L332-Y336 HydrophobicContact CD2-CE1 3.96Å; L332-Y336 HydrophobicContact CD2-CG 4.07Å; L332-L541 HydrophobicContact CD1-CD1 3.97Å; L332-L541 HydrophobicContact CD1-CD2 4.09Å; L332-L541 HydrophobicContact CD1-CG 3.81Å | ||
| 333 | P | 68.9 | Low | 74.4 | Confident | 67 Ų | 67 | 56.2 Ų | 56.2 | 44% | 0.435 | 34% | 0.343 | S | S | . | . | trans | -76.9 | -19.2 | -169.7 | 31.4 | -39.6 | 0 | 0 | 0 | 113.9 | P295 G331 | P295-P333 HydrophobicContact CG-CB 3.89Å; P295-P333 HydrophobicContact CG-CG 3.72Å; G331-P333 WeakPolarHBondContact O-CD 3.46Å | ||
| 334 | C | 69.6 | Low | 74.4 | Confident | 61 Ų | 61 | 56.1 Ų | 56.1 | 41% | 0.412 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -141.3 | 161 | -174 | 60.6 | 0 | 0 | 0 | 0 | 112.2 | L332 L541 | L332-C334 WeakPolarHBondContact CD2-O 3.49Å; L332-C334 WeakPolarHBondContact CG-O 2.95Å; L332-C334 PolarHBondContact O-N 3.35Å; C334-L541 WeakPolarHBondContact SG-CD1 3.48Å |
| 335 | A | 70.4 | Confident | 74.6 | Confident | 99 Ų | 99 | 52.4 Ų | 52.4 | 82% | 0.818 | 33% | 0.326 | S | S | * | . | trans | -62.2 | 140.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 336 | Y | 73.1 | Confident | 75.2 | Confident | 49 Ų | 49 | 50 Ų | 50 | 19% | 0.192 | 31% | 0.306 | C | S | . | . | trans | -112.9 | 163 | 176.2 | 64.6 | -82.5 | 0 | 0 | 0 | 110.7 | L323 L332 D340 I485 L487 E498 | L323-Y336 HydrophobicContact CD1-CE1 4.31Å; L332-Y336 HydrophobicContact CD2-CD1 3.28Å; L332-Y336 HydrophobicContact CD2-CE1 3.96Å; L332-Y336 HydrophobicContact CD2-CG 4.07Å; Y336-D340 WeakPolarHBondContact CA-OD2 3.49Å; Y336-I485 HydrophobicContact CD2-CB 4.29Å; Y336-I485 HydrophobicContact CD2-CD1 3.6Å; Y336-I485 HydrophobicContact CD2-CG2 3.92Å; Y336-I485 HydrophobicContact CE2-CB 4.24Å; Y336-I485 HydrophobicContact CE2-CD1 4.15Å; Y336-I485 HydrophobicContact CE2-CG2 3.39Å; Y336-I485 HydrophobicContact CG-CD1 3.83Å; Y336-L487 HydrophobicContact CE2-CD1 4.02Å; Y336-L487 VanDerWaalsContact OH-CD1 3.23Å; Y336-L487 WeakPolarHBondContact OH-CD1 3.37Å; Y336-L487 WeakPolarHBondContact OH-CG 3.25Å; Y336-E498 PolarHBondContact OH-O 3.14Å | ||
| 337 | Q | 75.4 | Confident | 76.3 | Confident | 116 Ų | 116 | 49.2 Ų | 49.2 | 54% | 0.542 | 30% | 0.299 | S | S | . | . | trans | -123.2 | 153.2 | 175.6 | -67.9 | -174.9 | -19.9 | 0 | 0 | 111 | G339 D340 | Q337-G339 PolarHBondContact O-N 2.86Å; Q337-D340 PolarHBondContact N-OD2 3.32Å; Q337-D340 VanDerWaalsContact O-CB 3.28Å; Q337-D340 WeakPolarHBondContact O-CB 3.44Å; Q337-D340 PolarHBondContact O-N 3.32Å | ||
| 338 | P | 74.5 | Confident | 77.3 | Confident | 28 Ų | 28 | 46 Ų | 46 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 135.2 | 169 | -25.7 | 32.6 | 0 | 0 | 0 | 111.9 | D340 R548 F572 H575 | P338-D340 VanDerWaalsContact C-N 3.34Å; P338-R548 WeakPolarHBondContact O-CD 3.44Å; P338-R548 PolarHBondContact O-NH1 2.59Å; P338-F572 HydrophobicContact CB-CD1 3.67Å; P338-F572 HydrophobicContact CB-CE1 4.01Å; P338-H575 HydrophobicContact CB-CB 4.43Å; P338-H575 HydrophobicContact CG-CB 3.58Å |
| 339 | G | 72.5 | Confident | 78.2 | Confident | 3 Ų | 3 | 40 Ų | 40 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 3.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q337 R484 R548 | Q337-G339 PolarHBondContact O-N 2.86Å; G339-R484 PolarHBondContact O-NH1 3Å; G339-R548 PolarHBondContact O-NH1 3.05Å; G339-R548 VanDerWaalsContact O-NH1 3.15Å |
| 340 | D | 76.8 | Confident | 79.2 | Confident | 14 Ų | 14 | 40.9 Ų | 40.9 | 8% | 0.075 | 24% | 0.243 | C | C | . | . | trans | -67.5 | 149.4 | 165.1 | -80 | -24.6 | 0 | 0 | 0 | 111 | Y336 Q337 P338 R484 I485 L541 R548 | Y336-D340 WeakPolarHBondContact CA-OD2 3.49Å; Q337-D340 PolarHBondContact N-OD2 3.32Å; Q337-D340 VanDerWaalsContact O-CB 3.28Å; Q337-D340 WeakPolarHBondContact O-CB 3.44Å; Q337-D340 PolarHBondContact O-N 3.32Å; P338-D340 VanDerWaalsContact C-N 3.34Å; D340-R484 WeakPolarHBondContact O-CA 3.42Å; D340-R484 VanDerWaalsContact O-CB 3.31Å; D340-R484 WeakPolarHBondContact O-CB 3.02Å; D340-R484 WeakPolarHBondContact O-CG 3.37Å; D340-I485 HydrophobicContact CB-CD1 4.46Å; D340-L541 HydrophobicContact CB-CD2 4.45Å; D340-R548 IonicContact OD1-CZ 2.7Å; D340-R548 IonicContact OD1-NH1 2.61Å; D340-R548 PolarHBondContact OD1-NH1 3.02Å; D340-R548 IonicContact OD1-NH2 3.3Å; D340-R548 PolarHBondContact OD1-NH2 2.94Å; D340-R548 IonicContact OD2-NH2 3.85Å | ||
| 341 | S | 77.2 | Confident | 79.9 | Confident | 8 Ų | 8 | 35.6 Ų | 35.6 | 6% | 0.056 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 124.9 | -177.6 | -71.4 | 0 | 0 | 0 | 0 | 109.4 | P482 R484 K542 | S341-P482 VanDerWaalsContact CB-CB 3.46Å; S341-R484 WeakPolarHBondContact OG-CG 3.13Å; S341-R484 VanDerWaalsContact OG-CZ 3.32Å; S341-R484 PolarHBondContact OG-NE 3.33Å; S341-K542 WeakPolarHBondContact O-CB 3.47Å; S341-K542 PolarHBondContact O-N 3.47Å |
| 342 | L | 80.4 | Confident | 80.6 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 139.7 | 173.2 | -166.9 | 69.6 | 0 | 0 | 0 | 110 | F297 L321 L323 F344 P482 C483 F503 T539 F540 L541 | F297-L342 HydrophobicContact CE1-CD1 3.72Å; F297-L342 HydrophobicContact CZ-CD1 3.41Å; F297-L342 VanDerWaalsContact CZ-CD1 3.41Å; F297-L342 HydrophobicContact CZ-CD2 4.47Å; L321-L342 HydrophobicContact CD1-CD2 3.94Å; L323-L342 HydrophobicContact CD2-CD2 4.35Å; L342-F344 HydrophobicContact CD2-CE1 4.1Å; L342-F344 HydrophobicContact CD2-CZ 4.17Å; L342-P482 CarbonylContact O-C 3.54Å; L342-P482 VanDerWaalsContact O-CA 3.31Å; L342-P482 WeakPolarHBondContact O-CA 3.49Å; L342-C483 WeakPolarHBondContact CA-O 3.34Å; L342-C483 VanDerWaalsContact CB-O 3.3Å; L342-C483 WeakPolarHBondContact CB-O 3.39Å; L342-C483 PolarHBondContact N-O 3.46Å; L342-C483 PolarHBondContact O-N 3.19Å; L342-F503 HydrophobicContact CB-CE1 3.74Å; L342-F503 HydrophobicContact CB-CZ 4.23Å; L342-F503 HydrophobicContact CD2-CE1 3.95Å; L342-F503 HydrophobicContact CD2-CZ 3.64Å; L342-T539 HydrophobicContact CD2-CG2 3.78Å; L342-T539 HydrophobicContact CG-CG2 4.1Å; L342-F540 WeakPolarHBondContact CD1-O 3.32Å; L342-L541 HydrophobicContact CD1-CD2 4.31Å |
| 343 | C | 80.5 | Confident | 81.2 | Confident | 6 Ų | 6 | 33.8 Ų | 33.8 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 121.7 | -179.1 | -85.8 | 0 | 0 | 0 | 0 | 110.3 | I480 T539 F540 | C343-I480 HydrophobicContact CB-CB 3.96Å; C343-I480 HydrophobicContact CB-CD1 4.17Å; C343-I480 HydrophobicContact CB-CG2 3.14Å; C343-I480 WeakPolarHBondContact SG-CG2 3.21Å; C343-T539 CarbonylContact O-C 3.55Å; C343-T539 WeakPolarHBondContact O-CA 3.03Å; C343-T539 WeakPolarHBondContact O-CB 3.39Å; C343-F540 HydrophobicContact CB-CD1 4.03Å; C343-F540 HydrophobicContact CB-CD2 3.66Å; C343-F540 HydrophobicContact CB-CE1 3.82Å; C343-F540 HydrophobicContact CB-CE2 3.38Å; C343-F540 HydrophobicContact CB-CG 4Å; C343-F540 HydrophobicContact CB-CZ 3.51Å; C343-F540 WeakPolarHBondContact CB-O 3.31Å; C343-F540 PolarHBondContact N-O 2.71Å; C343-F540 PolarHBondContact O-N 3.36Å |
| 344 | F | 86 | Confident | 82.3 | Confident | 3 Ų | 3 | 31.7 Ų | 31.7 | 1% | 0.013 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 136.2 | 174.4 | -59.5 | -76.1 | 0 | 0 | 0 | 114.3 | L319 L321 L342 I480 C483 L528 V537 T539 | L319-F344 HydrophobicContact CD2-CE1 4.36Å; L319-F344 HydrophobicContact CD2-CE2 4.43Å; L319-F344 HydrophobicContact CD2-CZ 3.82Å; L321-F344 HydrophobicContact CD1-CE1 3.65Å; L321-F344 HydrophobicContact CD1-CZ 3.8Å; L342-F344 HydrophobicContact CD2-CE1 4.1Å; L342-F344 HydrophobicContact CD2-CZ 4.17Å; F344-I480 WeakPolarHBondContact O-CG2 3.37Å; F344-C483 HydrophobicContact CD2-CB 4.11Å; F344-C483 HydrophobicContact CE2-CB 3.31Å; F344-C483 VanDerWaalsContact CE2-SG 3.58Å; F344-C483 HydrophobicContact CZ-CB 4.13Å; F344-L528 HydrophobicContact CD1-CD2 4.06Å; F344-L528 HydrophobicContact CD2-CD1 3.91Å; F344-L528 HydrophobicContact CD2-CD2 4.28Å; F344-L528 HydrophobicContact CE1-CD2 4.25Å; F344-L528 HydrophobicContact CE2-CD1 3.9Å; F344-L528 HydrophobicContact CE2-CD2 4.33Å; F344-L528 HydrophobicContact CG-CD2 4.13Å; F344-L528 HydrophobicContact CZ-CD2 4.39Å; F344-V537 HydrophobicContact CD1-CB 4.49Å; F344-V537 HydrophobicContact CD1-CG1 4.03Å; F344-V537 HydrophobicContact CD1-CG2 3.61Å; F344-V537 HydrophobicContact CE1-CG1 3.88Å; F344-V537 HydrophobicContact CE1-CG2 4.29Å; F344-T539 HydrophobicContact CD1-CG2 3.14Å; F344-T539 HydrophobicContact CE1-CG2 3.42Å; F344-T539 VanDerWaalsContact CE1-CG2 3.42Å; F344-T539 HydrophobicContact CG-CG2 4.06Å |
| 345 | I | 84.5 | Confident | 83.3 | Confident | 26 Ų | 26 | 29.4 Ų | 29.4 | 13% | 0.133 | 18% | 0.176 | C | C | . | . | trans | -88.2 | 110.6 | 168.9 | -52.5 | -50.6 | 0 | 0 | 0 | 108.8 | Y289 L296 I480 T538 F540 | Y289-I345 HydrophobicContact CD1-CD1 4.04Å; Y289-I345 HydrophobicContact CD2-CD1 3.84Å; Y289-I345 HydrophobicContact CE1-CD1 3.69Å; Y289-I345 HydrophobicContact CE2-CD1 3.47Å; Y289-I345 VanDerWaalsContact CE2-CD1 3.47Å; Y289-I345 HydrophobicContact CE2-CG1 4.07Å; Y289-I345 HydrophobicContact CG-CD1 4.11Å; L296-I345 HydrophobicContact CD2-CD1 4.48Å; L296-I345 HydrophobicContact CD2-CG1 4.26Å; I345-I480 HydrophobicContact CD1-CD1 3.98Å; I345-T538 HydrophobicContact CB-CG2 4.38Å; I345-T538 HydrophobicContact CG1-CG2 3.97Å; I345-T538 PolarHBondContact N-O 2.93Å; I345-F540 HydrophobicContact CD1-CD1 4.08Å; I345-F540 HydrophobicContact CD1-CE1 3.78Å | ||
| 346 | C | 86.8 | Confident | 84.4 | Confident | 17 Ų | 17 | 24.7 Ų | 24.7 | 12% | 0.115 | 14% | 0.138 | C | C | . | . | trans | -116 | 122 | -173.3 | -55.9 | 0 | 0 | 0 | 0 | 110.3 | V523 A524 Y527 | C346-V523 HydrophobicContact CB-CG1 4.33Å; C346-A524 HydrophobicContact CB-CB 4.41Å; C346-Y527 HydrophobicContact CB-CD1 3.81Å; C346-Y527 HydrophobicContact CB-CG 4.23Å; C346-Y527 VanDerWaalsContact SG-CD1 3.59Å | ||
| 347 | P | 88.6 | Confident | 85.3 | Confident | 33 Ų | 33 | 22.4 Ų | 22.4 | 21% | 0.214 | 13% | 0.129 | C | C | . | . | P | Polyproline II helix | trans | -74 | 155.5 | 174.9 | 31.4 | -34.6 | 0 | 0 | 0 | 111.9 | T400 Y527 | P347-T400 CarbonylContact C-O 3.54Å; P347-T400 VanDerWaalsContact CA-O 3.25Å; P347-T400 WeakPolarHBondContact CA-O 3.15Å; P347-T400 HydrophobicContact CB-CG2 3.9Å; P347-Y527 HydrophobicContact CG-CD2 4.01Å; P347-Y527 HydrophobicContact CG-CE2 3.93Å |
| 348 | N | 88.9 | Confident | 86 | Confident | 10 Ų | 10 | 22.2 Ų | 22.2 | 5% | 0.053 | 12% | 0.124 | C | C | . | . | P | Polyproline II helix | trans | -68.8 | 156.1 | 166.2 | -68 | -53.5 | 0 | 0 | 0 | 111.4 | T350 V353 F399 T400 L403 I405 | N348-T350 PolarHBondContact O-N 3.16Å; N348-V353 HydrophobicContact CB-CG2 3.77Å; N348-F399 PolarHBondContact ND2-O 3.45Å; N348-T400 PolarHBondContact N-O 2.8Å; N348-L403 PolarHBondContact ND2-O 2.59Å; N348-I405 HydrophobicContact CB-CD1 3.95Å; N348-I405 HydrophobicContact CB-CG1 4.27Å |
| 349 | S | 88.2 | Confident | 86.7 | Confident | 47 Ų | 47 | 22.6 Ų | 22.6 | 33% | 0.329 | 12% | 0.122 | S | C | . | . | P | Polyproline II helix | trans | -60.8 | 128.9 | 175.3 | 177.3 | 0 | 0 | 0 | 0 | 110.5 | V351 E352 V353 | S349-V351 PolarHBondContact O-N 3.31Å; S349-V351 VanDerWaalsContact O-N 3.11Å; S349-V351 PolarHBondContact OG-N 3.38Å; S349-E352 PolarHBondContact O-N 3.3Å; S349-V353 WeakPolarHBondContact O-CG2 3.48Å; S349-V353 PolarHBondContact O-N 2.98Å |
| 350 | T | 90.9 | Very high | 87.7 | Confident | 88 Ų | 88 | 23 Ų | 23 | 54% | 0.54 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -50.7 | -37.6 | 174.1 | -52.1 | 0 | 0 | 0 | 0 | 111.9 | N348 N354 | N348-T350 PolarHBondContact O-N 3.16Å; T350-N354 VanDerWaalsContact O-CB 3.27Å; T350-N354 WeakPolarHBondContact O-CB 3.38Å; T350-N354 PolarHBondContact O-N 3.35Å; T350-N354 PolarHBondContact O-ND2 2.78Å; T350-N354 VanDerWaalsContact O-ND2 3.17Å |
| 351 | V | 89.6 | Confident | 88.4 | Confident | 29 Ų | 29 | 28.1 Ų | 28.1 | 18% | 0.176 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.7 | -42.5 | -178.8 | -176.8 | 0 | 0 | 0 | 0 | 111.5 | I208 Y233 S349 W355 | I208-V351 HydrophobicContact CB-CG1 3.39Å; I208-V351 HydrophobicContact CD1-CG1 4.45Å; I208-V351 HydrophobicContact CG2-CG1 3.15Å; Y233-V351 HydrophobicContact CE1-CG1 4.49Å; S349-V351 PolarHBondContact O-N 3.31Å; S349-V351 VanDerWaalsContact O-N 3.11Å; S349-V351 PolarHBondContact OG-N 3.38Å; V351-W355 WeakPolarHBondContact O-CB 3.45Å; V351-W355 PolarHBondContact O-N 3.23Å |
| 352 | E | 90.9 | Very high | 89.2 | Confident | 6 Ų | 6 | 29 Ų | 29 | 3% | 0.028 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.5 | -39.9 | 177.2 | -70.3 | 178.8 | -172.1 | 0 | 0 | 112.1 | I208 S349 W355 L356 I405 R406 L454 F518 | I208-E352 HydrophobicContact CD1-CG 4.37Å; S349-E352 PolarHBondContact O-N 3.3Å; E352-W355 WeakPolarHBondContact O-CB 3.38Å; E352-W355 PolarHBondContact O-N 3.13Å; E352-L356 WeakPolarHBondContact O-CB 3.48Å; E352-L356 PolarHBondContact O-N 3.42Å; E352-I405 HydrophobicContact CB-CD1 3.89Å; E352-R406 VanDerWaalsContact CD-NH2 3.31Å; E352-R406 IonicContact OE1-CZ 3.27Å; E352-R406 VanDerWaalsContact OE1-CZ 3.28Å; E352-R406 IonicContact OE1-NE 2.84Å; E352-R406 PolarHBondContact OE1-NE 2.81Å; E352-R406 VanDerWaalsContact OE1-NE 3.12Å; E352-R406 IonicContact OE1-NH2 3.37Å; E352-R406 PolarHBondContact OE1-NH2 2.72Å; E352-R406 IonicContact OE2-CZ 2.68Å; E352-R406 IonicContact OE2-NE 2.92Å; E352-R406 PolarHBondContact OE2-NE 2.87Å; E352-R406 IonicContact OE2-NH2 3.36Å; E352-R406 PolarHBondContact OE2-NH2 2.68Å; E352-L454 HydrophobicContact CB-CD2 3.79Å; E352-L454 HydrophobicContact CG-CD2 3.97Å; E352-F518 HydrophobicContact CG-CE2 3.97Å; E352-F518 HydrophobicContact CG-CZ 3.91Å; E352-F518 VanDerWaalsContact OE1-CE2 3.22Å; E352-F518 WeakPolarHBondContact OE1-CE2 3.24Å; E352-F518 WeakPolarHBondContact OE1-CZ 3.18Å |
| 353 | V | 91.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.3 | -46.4 | 175.6 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | N348 S349 W355 L356 L357 R396 F399 I405 | N348-V353 HydrophobicContact CB-CG2 3.77Å; S349-V353 WeakPolarHBondContact O-CG2 3.48Å; S349-V353 PolarHBondContact O-N 2.98Å; V353-W355 VanDerWaalsContact C-N 3.32Å; V353-W355 PolarHBondContact O-N 3.25Å; V353-L356 PolarHBondContact O-N 3.12Å; V353-L357 HydrophobicContact CG1-CD1 3.77Å; V353-L357 HydrophobicContact CG1-CG 4.42Å; V353-L357 WeakPolarHBondContact O-CB 3Å; V353-L357 WeakPolarHBondContact O-CD1 3.19Å; V353-L357 VanDerWaalsContact O-CG 3.28Å; V353-L357 WeakPolarHBondContact O-CG 3.08Å; V353-L357 PolarHBondContact O-N 3.34Å; V353-R396 HydrophobicContact CG1-CG 4.25Å; V353-F399 HydrophobicContact CG1-CB 3.84Å; V353-F399 HydrophobicContact CG2-CB 4.29Å; V353-F399 WeakPolarHBondContact CG2-O 3.46Å; V353-I405 HydrophobicContact CG2-CD1 4.11Å |
| 354 | N | 92.5 | Very high | 90.2 | Very high | 23 Ų | 23 | 35.1 Ų | 35.1 | 12% | 0.123 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.8 | -43.5 | 175.7 | -76.9 | -24.8 | 0 | 0 | 0 | 111.9 | Y233 T350 L357 Y358 R396 | Y233-N354 HydrophobicContact CD2-CB 3.95Å; Y233-N354 HydrophobicContact CE2-CB 3.74Å; Y233-N354 WeakPolarHBondContact CE2-ND2 3.3Å; Y233-N354 VanDerWaalsContact CZ-ND2 3.28Å; Y233-N354 PolarHBondContact OH-ND2 3.47Å; T350-N354 VanDerWaalsContact O-CB 3.27Å; T350-N354 WeakPolarHBondContact O-CB 3.38Å; T350-N354 PolarHBondContact O-N 3.35Å; T350-N354 PolarHBondContact O-ND2 2.78Å; T350-N354 VanDerWaalsContact O-ND2 3.17Å; N354-L357 PolarHBondContact O-N 2.94Å; N354-Y358 WeakPolarHBondContact O-CB 3.34Å; N354-Y358 PolarHBondContact O-N 3.09Å; N354-R396 PolarHBondContact OD1-NH1 3.33Å |
| 355 | W | 90.6 | Very high | 90.6 | Very high | 12 Ų | 12 | 37.4 Ų | 37.4 | 5% | 0.045 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.6 | -48.9 | 175.6 | -176.4 | 73 | 0 | 0 | 0 | 112.2 | F235 V351 E352 V353 L357 Y358 R359 L454 L457 H458 F517 | F235-W355 AromaticContact CE2-CD1 3.14Å; F235-W355 HydrophobicContact CE2-CG 4.39Å; F235-W355 AromaticContact CE2-NE1 3.43Å; F235-W355 AromaticContact CZ-CD1 3Å; F235-W355 HydrophobicContact CZ-CG 4.11Å; F235-W355 AromaticContact CZ-NE1 3.25Å; V351-W355 WeakPolarHBondContact O-CB 3.45Å; V351-W355 PolarHBondContact O-N 3.23Å; E352-W355 WeakPolarHBondContact O-CB 3.38Å; E352-W355 PolarHBondContact O-N 3.13Å; V353-W355 VanDerWaalsContact C-N 3.32Å; V353-W355 PolarHBondContact O-N 3.25Å; W355-L357 PolarHBondContact O-N 2.88Å; W355-Y358 PolarHBondContact O-N 3.03Å; W355-R359 HydrophobicContact CD2-CB 4.45Å; W355-R359 HydrophobicContact CE3-CB 4.29Å; W355-R359 HydrophobicContact CH2-CB 4.2Å; W355-R359 HydrophobicContact CH2-CG 3.79Å; W355-R359 HydrophobicContact CZ2-CB 4.32Å; W355-R359 HydrophobicContact CZ2-CG 4.14Å; W355-R359 HydrophobicContact CZ3-CB 4.14Å; W355-R359 HydrophobicContact CZ3-CG 4.06Å; W355-R359 VanDerWaalsContact O-CB 3.27Å; W355-R359 WeakPolarHBondContact O-CB 3.09Å; W355-R359 PolarHBondContact O-N 3.4Å; W355-L454 HydrophobicContact CE3-CB 4.04Å; W355-L454 HydrophobicContact CE3-CD2 3.85Å; W355-L454 HydrophobicContact CE3-CG 3.63Å; W355-L454 HydrophobicContact CH2-CB 4.41Å; W355-L454 WeakPolarHBondContact CH2-O 3.25Å; W355-L454 HydrophobicContact CZ3-CB 3.68Å; W355-L454 HydrophobicContact CZ3-CD2 4.36Å; W355-L454 HydrophobicContact CZ3-CG 3.67Å; W355-L457 HydrophobicContact CH2-CB 4.2Å; W355-L457 HydrophobicContact CZ3-CB 4.41Å; W355-H458 HydrophobicContact CH2-CB 4.02Å; W355-H458 HydrophobicContact CZ2-CB 4.06Å; W355-F517 HydrophobicContact CH2-CZ 4.28Å; W355-F517 HydrophobicContact CZ2-CE2 4.46Å; W355-F517 HydrophobicContact CZ2-CZ 4.11Å |
| 356 | L | 91.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.8 | -45.4 | -178.7 | -178.3 | 61.9 | 0 | 0 | 0 | 111.2 | E352 V353 Y358 R359 L360 F399 I405 L453 L457 | E352-L356 WeakPolarHBondContact O-CB 3.48Å; E352-L356 PolarHBondContact O-N 3.42Å; V353-L356 PolarHBondContact O-N 3.12Å; L356-Y358 VanDerWaalsContact C-N 3.32Å; L356-Y358 PolarHBondContact O-N 3.46Å; L356-R359 PolarHBondContact O-N 2.88Å; L356-L360 HydrophobicContact CD1-CD1 3.8Å; L356-L360 HydrophobicContact CD1-CG 4.16Å; L356-L360 HydrophobicContact CG-CD1 3.95Å; L356-L360 WeakPolarHBondContact O-CB 3.15Å; L356-L360 VanDerWaalsContact O-CG 3.27Å; L356-L360 WeakPolarHBondContact O-CG 3.44Å; L356-L360 PolarHBondContact O-N 2.7Å; L356-F399 HydrophobicContact CD2-CD1 3.66Å; L356-F399 HydrophobicContact CD2-CE1 3.71Å; L356-F399 HydrophobicContact CD2-CG 4.25Å; L356-F399 HydrophobicContact CD2-CZ 4.32Å; L356-I405 HydrophobicContact CD2-CB 4.37Å; L356-I405 HydrophobicContact CD2-CG2 3.84Å; L356-L453 HydrophobicContact CD1-CD2 4.23Å; L356-L453 HydrophobicContact CD2-CD2 4.2Å; L356-L457 HydrophobicContact CD1-CD1 3.64Å |
| 357 | L | 93.5 | Very high | 91.5 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.4 | -42.1 | 176.4 | -72.7 | 165 | 0 | 0 | 0 | 111.9 | V353 N354 W355 N361 L362 A366 L395 R396 F399 | V353-L357 HydrophobicContact CG1-CD1 3.77Å; V353-L357 HydrophobicContact CG1-CG 4.42Å; V353-L357 WeakPolarHBondContact O-CB 3Å; V353-L357 WeakPolarHBondContact O-CD1 3.19Å; V353-L357 VanDerWaalsContact O-CG 3.28Å; V353-L357 WeakPolarHBondContact O-CG 3.08Å; V353-L357 PolarHBondContact O-N 3.34Å; N354-L357 PolarHBondContact O-N 2.94Å; W355-L357 PolarHBondContact O-N 2.88Å; L357-N361 PolarHBondContact O-N 3.43Å; L357-L362 HydrophobicContact CB-CB 4.48Å; L357-L362 HydrophobicContact CD2-CB 3.82Å; L357-L362 HydrophobicContact CD2-CD1 4.2Å; L357-L362 WeakPolarHBondContact O-CA 3.21Å; L357-L362 PolarHBondContact O-N 3.45Å; L357-A366 HydrophobicContact CD1-CB 3.7Å; L357-A366 HydrophobicContact CD2-CB 3.9Å; L357-A366 HydrophobicContact CG-CB 4.31Å; L357-L395 HydrophobicContact CD2-CB 4.26Å; L357-R396 HydrophobicContact CD1-CB 4.29Å; L357-F399 HydrophobicContact CD2-CD2 3.78Å; L357-F399 HydrophobicContact CD2-CE2 3.93Å; L357-F399 HydrophobicContact CG-CD2 4.31Å |
| 358 | Y | 90.2 | Very high | 91.8 | Very high | 111 Ų | 111 | 38.6 Ų | 38.6 | 44% | 0.435 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.5 | -49.6 | 173.9 | 172 | -97.5 | 0 | 0 | 0 | 111.5 | N354 W355 L356 L360 N361 | N354-Y358 WeakPolarHBondContact O-CB 3.34Å; N354-Y358 PolarHBondContact O-N 3.09Å; W355-Y358 PolarHBondContact O-N 3.03Å; L356-Y358 VanDerWaalsContact C-N 3.32Å; L356-Y358 PolarHBondContact O-N 3.46Å; Y358-L360 PolarHBondContact O-N 3.4Å; Y358-L360 VanDerWaalsContact O-N 3.12Å; Y358-N361 PolarHBondContact O-N 3.45Å |
| 359 | R | 89.2 | Confident | 92.1 | Very high | 36 Ų | 36 | 38.1 Ų | 38.1 | 14% | 0.136 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.9 | -27.5 | -178.5 | 179.2 | 60.8 | -174.8 | 81 | 3.8 | 113.1 | W355 L356 L457 F460 R461 C463 | W355-R359 HydrophobicContact CD2-CB 4.45Å; W355-R359 HydrophobicContact CE3-CB 4.29Å; W355-R359 HydrophobicContact CH2-CB 4.2Å; W355-R359 HydrophobicContact CH2-CG 3.79Å; W355-R359 HydrophobicContact CZ2-CB 4.32Å; W355-R359 HydrophobicContact CZ2-CG 4.14Å; W355-R359 HydrophobicContact CZ3-CB 4.14Å; W355-R359 HydrophobicContact CZ3-CG 4.06Å; W355-R359 VanDerWaalsContact O-CB 3.27Å; W355-R359 WeakPolarHBondContact O-CB 3.09Å; W355-R359 PolarHBondContact O-N 3.4Å; L356-R359 PolarHBondContact O-N 2.88Å; R359-L457 HydrophobicContact CG-CB 4.25Å; R359-L457 VanDerWaalsContact CZ-O 3.31Å; R359-L457 PolarHBondContact NE-O 3.47Å; R359-L457 PolarHBondContact NH2-O 2.91Å; R359-F460 PolarHBondContact NH2-O 3.23Å; R359-R461 PolarHBondContact NH2-O 2.9Å; R359-C463 PolarHBondContact NH1-O 2.71Å; R359-C463 PolarHBondContact NH2-O 2.62Å |
| 360 | L | 92.1 | Very high | 92.4 | Very high | 11 Ų | 11 | 35.9 Ų | 35.9 | 6% | 0.058 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 6.4 | 177.7 | -62.7 | 176 | 0 | 0 | 0 | 113.4 | L356 Y358 L362 F399 L457 P465 L470 | L356-L360 HydrophobicContact CD1-CD1 3.8Å; L356-L360 HydrophobicContact CD1-CG 4.16Å; L356-L360 HydrophobicContact CG-CD1 3.95Å; L356-L360 WeakPolarHBondContact O-CB 3.15Å; L356-L360 VanDerWaalsContact O-CG 3.27Å; L356-L360 WeakPolarHBondContact O-CG 3.44Å; L356-L360 PolarHBondContact O-N 2.7Å; Y358-L360 PolarHBondContact O-N 3.4Å; Y358-L360 VanDerWaalsContact O-N 3.12Å; L360-L362 VanDerWaalsContact C-N 3.28Å; L360-L362 HydrophobicContact CB-CD1 3.67Å; L360-L362 HydrophobicContact CB-CG 3.89Å; L360-L362 HydrophobicContact CD1-CD1 4.02Å; L360-L362 PolarHBondContact O-N 3.14Å; L360-F399 HydrophobicContact CD1-CZ 4.48Å; L360-L457 HydrophobicContact CD2-CD1 4.19Å; L360-P465 HydrophobicContact CD2-CG 4.06Å; L360-L470 HydrophobicContact CD1-CD1 3.49Å; L360-L470 VanDerWaalsContact CD1-CD1 3.49Å; L360-L470 HydrophobicContact CD2-CD1 4.27Å |
| 361 | N | 91.6 | Very high | 92.5 | Very high | 123 Ų | 123 | 37.5 Ų | 37.5 | 66% | 0.658 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 32.9 | -176.2 | -61.8 | -37.9 | 0 | 0 | 0 | 114.4 | L357 Y358 | L357-N361 PolarHBondContact O-N 3.43Å; Y358-N361 PolarHBondContact O-N 3.45Å |
| 362 | L | 93.8 | Very high | 92.6 | Very high | 25 Ų | 25 | 36.3 Ų | 36.3 | 13% | 0.131 | 18% | 0.184 | C | C | . | . | trans | -102.7 | -0.1 | -176.7 | -63.1 | 170.4 | 0 | 0 | 0 | 113.9 | L357 L360 V364 V365 A366 L395 F399 I467 | L357-L362 HydrophobicContact CB-CB 4.48Å; L357-L362 HydrophobicContact CD2-CB 3.82Å; L357-L362 HydrophobicContact CD2-CD1 4.2Å; L357-L362 WeakPolarHBondContact O-CA 3.21Å; L357-L362 PolarHBondContact O-N 3.45Å; L360-L362 VanDerWaalsContact C-N 3.28Å; L360-L362 HydrophobicContact CB-CD1 3.67Å; L360-L362 HydrophobicContact CB-CG 3.89Å; L360-L362 HydrophobicContact CD1-CD1 4.02Å; L360-L362 PolarHBondContact O-N 3.14Å; L362-V364 PolarHBondContact O-N 3.12Å; L362-V364 VanDerWaalsContact O-N 3.13Å; L362-V365 HydrophobicContact CB-CG2 4.21Å; L362-V365 HydrophobicContact CD2-CG2 3.97Å; L362-V365 VanDerWaalsContact O-CG2 3.29Å; L362-V365 WeakPolarHBondContact O-CG2 3.06Å; L362-V365 PolarHBondContact O-N 3.43Å; L362-A366 WeakPolarHBondContact O-CB 3.36Å; L362-A366 PolarHBondContact O-N 2.92Å; L362-L395 HydrophobicContact CD1-CD1 4.37Å; L362-L395 HydrophobicContact CD2-CD1 4.12Å; L362-F399 HydrophobicContact CD1-CE2 4.38Å; L362-I467 HydrophobicContact CD1-CB 4.41Å; L362-I467 HydrophobicContact CD1-CD1 3.7Å; L362-I467 HydrophobicContact CD1-CG1 4.42Å | ||
| 363 | G | 91 | Very high | 92.6 | Very high | 29 Ų | 29 | 38.9 Ų | 38.9 | 30% | 0.299 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -36.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 364 | V | 91.7 | Very high | 92.5 | Very high | 107 Ų | 107 | 41.5 Ų | 41.5 | 65% | 0.648 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -31.3 | -178.8 | -178.8 | 0 | 0 | 0 | 0 | 112.7 | L362 | L362-V364 PolarHBondContact O-N 3.12Å; L362-V364 VanDerWaalsContact O-N 3.13Å |
| 365 | V | 94.8 | Very high | 92.2 | Very high | 51 Ų | 51 | 43.5 Ų | 43.5 | 31% | 0.309 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | -3.2 | -176.1 | -69.6 | 0 | 0 | 0 | 0 | 113.2 | V275 L362 D367 K368 L395 | V275-V365 HydrophobicContact CG1-CB 4.02Å; V275-V365 HydrophobicContact CG1-CG1 4.43Å; L362-V365 HydrophobicContact CB-CG2 4.21Å; L362-V365 HydrophobicContact CD2-CG2 3.97Å; L362-V365 VanDerWaalsContact O-CG2 3.29Å; L362-V365 WeakPolarHBondContact O-CG2 3.06Å; L362-V365 PolarHBondContact O-N 3.43Å; V365-D367 VanDerWaalsContact C-N 3.27Å; V365-D367 PolarHBondContact O-N 3.18Å; V365-K368 PolarHBondContact O-N 3.38Å; V365-L395 HydrophobicContact CG2-CD1 4.11Å |
| 366 | A | 93.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -37.3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L357 L362 S394 L395 R396 | L357-A366 HydrophobicContact CD1-CB 3.7Å; L357-A366 HydrophobicContact CD2-CB 3.9Å; L357-A366 HydrophobicContact CG-CB 4.31Å; L362-A366 WeakPolarHBondContact O-CB 3.36Å; L362-A366 PolarHBondContact O-N 2.92Å; A366-S394 WeakPolarHBondContact O-CB 3.48Å; A366-L395 PolarHBondContact O-N 2.68Å; A366-R396 WeakPolarHBondContact O-CB 3.11Å; A366-R396 PolarHBondContact O-N 2.85Å |
| 367 | D | 95.2 | Very high | 90.5 | Very high | 63 Ų | 63 | 56.4 Ų | 56.4 | 34% | 0.337 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 8.1 | -173.9 | -63.4 | -67.6 | 0 | 0 | 0 | 112.7 | F280 V365 R396 | F280-D367 WeakPolarHBondContact CB-O 3.3Å; F280-D367 PolarHBondContact N-O 3.39Å; V365-D367 VanDerWaalsContact C-N 3.27Å; V365-D367 PolarHBondContact O-N 3.18Å; D367-R396 VanDerWaalsContact CG-NE 3.3Å; D367-R396 WeakPolarHBondContact OD1-CD 3.22Å; D367-R396 IonicContact OD1-CZ 3.22Å; D367-R396 IonicContact OD1-NE 3.88Å; D367-R396 PolarHBondContact OD1-NE 3.02Å; D367-R396 IonicContact OD1-NH2 3.94Å; D367-R396 IonicContact OD2-CZ 2.7Å; D367-R396 IonicContact OD2-NE 3.53Å; D367-R396 PolarHBondContact OD2-NE 3.27Å; D367-R396 VanDerWaalsContact OD2-NE 3.13Å; D367-R396 IonicContact OD2-NH2 2.89Å; D367-R396 PolarHBondContact OD2-NH2 3.24Å |
| 368 | K | 95.9 | Very high | 89.5 | Confident | 37 Ų | 37 | 57.5 Ų | 57.5 | 16% | 0.161 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 157.4 | 176.1 | -59 | -56.5 | -171.9 | 173.7 | 0 | 111.4 | V275 T276 H277 E278 D279 V365 C370 S394 | V275-K368 HydrophobicContact CG1-CB 3.5Å; V275-K368 HydrophobicContact CG1-CG 4.45Å; T276-K368 WeakPolarHBondContact O-CB 3.47Å; H277-K368 WeakPolarHBondContact O-CD 3.23Å; H277-K368 WeakPolarHBondContact O-CE 3.34Å; H277-K368 PolarHBondContact O-NZ 3.27Å; E278-K368 CarbonylContact O-C 3.26Å; E278-K368 VanDerWaalsContact O-CA 3.27Å; E278-K368 WeakPolarHBondContact O-CA 3.37Å; E278-K368 WeakPolarHBondContact O-CD 3.25Å; D279-K368 WeakPolarHBondContact OD1-CD 3.29Å; D279-K368 VanDerWaalsContact OD1-CE 3.31Å; D279-K368 WeakPolarHBondContact OD1-CE 3.46Å; D279-K368 IonicContact OD1-NZ 3.85Å; D279-K368 PolarHBondContact OD1-NZ 3.05Å; D279-K368 IonicContact OD2-NZ 3.08Å; D279-K368 PolarHBondContact OD2-NZ 3.43Å; D279-K368 VanDerWaalsContact OD2-NZ 3.1Å; V365-K368 PolarHBondContact O-N 3.38Å; K368-C370 PolarHBondContact O-N 3.41Å; K368-C370 VanDerWaalsContact O-N 3.12Å; K368-S394 WeakPolarHBondContact O-CA 3.31Å; K368-S394 WeakPolarHBondContact O-CB 3.41Å |
| 369 | V | 95.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 115.9 | 177.4 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | V275 T276 E278 F280 R371 R392 | V275-V369 CarbonylContact C-O 3.49Å; V275-V369 WeakPolarHBondContact CA-O 3.41Å; T276-V369 PolarHBondContact N-O 2.86Å; E278-V369 HydrophobicContact CB-CG2 3.96Å; E278-V369 PolarHBondContact O-N 3.39Å; F280-V369 HydrophobicContact CB-CG2 4.16Å; F280-V369 HydrophobicContact CD2-CG2 4.28Å; V369-R371 HydrophobicContact CG1-CG 4.48Å; V369-R392 HydrophobicContact CG1-CG 3.99Å |
| 370 | C | 94.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 126.6 | 172.2 | 179.7 | 0 | 0 | 0 | 0 | 109.8 | A274 V275 K368 S393 L395 | A274-C370 WeakPolarHBondContact O-CA 3.33Å; V275-C370 HydrophobicContact CG2-CB 4.42Å; K368-C370 PolarHBondContact O-N 3.41Å; K368-C370 VanDerWaalsContact O-N 3.12Å; C370-S393 WeakPolarHBondContact CA-O 3.48Å; C370-S393 PolarHBondContact N-O 3.37Å; C370-S393 PolarHBondContact O-N 2.9Å; C370-S393 VanDerWaalsContact O-O 3.11Å; C370-L395 HydrophobicContact CB-CD2 3.9Å; C370-L395 HydrophobicContact CB-CG 4.42Å; C370-L395 VanDerWaalsContact SG-CD2 3.53Å |
| 371 | R | 93.4 | Very high | 85.9 | Confident | 123 Ų | 123 | 62.2 Ų | 62.2 | 46% | 0.464 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 121.8 | 172.6 | -65.7 | -177 | -176.9 | -122.6 | 4.4 | 110.1 | S273 A274 V369 E391 | S273-R371 WeakPolarHBondContact CA-O 3.27Å; A274-R371 PolarHBondContact N-O 3.21Å; A274-R371 PolarHBondContact O-N 2.68Å; V369-R371 HydrophobicContact CG1-CG 4.48Å; R371-E391 CarbonylContact C-O 3.5Å; R371-E391 VanDerWaalsContact CA-O 3.27Å; R371-E391 WeakPolarHBondContact CA-O 3.42Å |
| 372 | L | 92 | Very high | 84.8 | Confident | 3 Ų | 3 | 57.6 Ų | 57.6 | 2% | 0.016 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 136.1 | 173.6 | -61.7 | -171.9 | 0 | 0 | 0 | 110 | L271 A272 L385 L389 E391 L398 L471 | L271-L372 HydrophobicContact CD1-CB 4.21Å; A272-L372 WeakPolarHBondContact O-CA 3.47Å; L372-L385 HydrophobicContact CB-CD1 3.95Å; L372-L385 HydrophobicContact CB-CD2 4.33Å; L372-L389 HydrophobicContact CD1-CB 4.13Å; L372-E391 PolarHBondContact N-O 3.48Å; L372-E391 WeakPolarHBondContact O-CG 3.42Å; L372-L398 HydrophobicContact CD1-CD1 4.2Å; L372-L398 HydrophobicContact CD1-CD2 4.1Å; L372-L398 HydrophobicContact CD2-CD1 4.22Å; L372-L398 HydrophobicContact CG-CD1 4.46Å; L372-L471 HydrophobicContact CD2-CD1 3.78Å |
| 373 | S | 90.5 | Very high | 83.8 | Confident | 60 Ų | 60 | 60.9 Ų | 60.9 | 42% | 0.42 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 151.2 | 177.9 | 60.4 | 0 | 0 | 0 | 0 | 111.1 | A272 | A272-S373 PolarHBondContact N-O 3.42Å; A272-S373 PolarHBondContact O-N 2.84Å; A272-S373 PolarHBondContact O-OG 3.07Å |
| 374 | L | 89.3 | Confident | 83.3 | Confident | 55 Ų | 55 | 67.4 Ų | 67.4 | 29% | 0.288 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 135.3 | 174.1 | -61.3 | 173.3 | 0 | 0 | 0 | 109.4 | W270 V382 L385 | W270-L374 HydrophobicContact CE3-CD2 3.57Å; W270-L374 HydrophobicContact CZ3-CD2 3.57Å; W270-L374 WeakPolarHBondContact O-CA 2.84Å; L374-V382 HydrophobicContact CD1-CG1 4.44Å; L374-V382 WeakPolarHBondContact CD1-O 3.41Å; L374-V382 HydrophobicContact CD2-CB 4.33Å; L374-V382 HydrophobicContact CD2-CG1 3.76Å; L374-L385 HydrophobicContact CD2-CD2 3.91Å; L374-L385 HydrophobicContact CD2-CG 4.44Å; L374-L385 HydrophobicContact CG-CD2 4.4Å |
| 375 | L | 85.3 | Confident | 82.7 | Confident | 66 Ų | 66 | 64.2 Ų | 64.2 | 35% | 0.346 | 35% | 0.345 | S | S | . | . | trans | -70.1 | 123.4 | 174.7 | -74.4 | 173.7 | 0 | 0 | 0 | 109.9 | P269 W270 A272 N377 S378 | P269-L375 HydrophobicContact CB-CD1 3.89Å; W270-L375 PolarHBondContact O-N 3.01Å; A272-L375 HydrophobicContact CB-CD2 3.83Å; A272-L375 HydrophobicContact CB-CG 4.2Å; L375-N377 VanDerWaalsContact C-N 3.25Å; L375-N377 PolarHBondContact O-N 3.45Å; L375-S378 WeakPolarHBondContact O-CB 3.35Å; L375-S378 PolarHBondContact O-N 3.11Å | ||
| 376 | P | 77.4 | Confident | 81.8 | Confident | 122 Ų | 122 | 63.7 Ų | 63.7 | 79% | 0.792 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -26.3 | -171 | 23.1 | -33.5 | 0 | 0 | 0 | 114 | ||
| 377 | N | 70.7 | Confident | 80.9 | Confident | 161 Ų | 161 | 67.1 Ų | 67.1 | 86% | 0.861 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.9 | 22.5 | -176.5 | -65.1 | -24.9 | 0 | 0 | 0 | 113 | L375 A379 | L375-N377 VanDerWaalsContact C-N 3.25Å; L375-N377 PolarHBondContact O-N 3.45Å; N377-A379 PolarHBondContact O-N 3.24Å |
| 378 | S | 71.2 | Confident | 80 | Confident | 24 Ų | 24 | 65.6 Ų | 65.6 | 17% | 0.168 | 36% | 0.358 | C | S | . | . | trans | -64.1 | 132.5 | 175.8 | 168.2 | 0 | 0 | 0 | 0 | 110.9 | P269 W270 L375 R380 | P269-S378 WeakPolarHBondContact O-CB 3.47Å; P269-S378 PolarHBondContact O-OG 3.32Å; W270-S378 WeakPolarHBondContact CB-OG 3.38Å; L375-S378 WeakPolarHBondContact O-CB 3.35Å; L375-S378 PolarHBondContact O-N 3.11Å; S378-R380 WeakPolarHBondContact CB-O 3.42Å; S378-R380 PolarHBondContact O-N 2.98Å; S378-R380 WeakPolarHBondContact OG-CA 3.5Å; S378-R380 WeakPolarHBondContact OG-CB 3.49Å; S378-R380 PolarHBondContact OG-N 2.85Å; S378-R380 PolarHBondContact OG-O 3.22Å | ||
| 379 | A | 66.7 | Low | 79.4 | Confident | 83 Ų | 83 | 64.2 Ų | 64.2 | 69% | 0.686 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -66.3 | -23.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | T268 N377 R381 | T268-A379 HydrophobicContact CG2-CB 3.63Å; N377-A379 PolarHBondContact O-N 3.24Å; A379-R381 PolarHBondContact O-N 3.14Å |
| 380 | R | 66.9 | Low | 78.9 | Confident | 22 Ų | 22 | 65.3 Ų | 65.3 | 8% | 0.083 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -76.6 | 107 | 169.2 | 171.9 | 166.7 | -174.7 | -177 | 2.2 | 108.6 | D151 T152 W270 S378 V382 | D151-R380 IonicContact OD1-CZ 3.13Å; D151-R380 IonicContact OD1-NE 3.98Å; D151-R380 IonicContact OD1-NH2 2.69Å; D151-R380 PolarHBondContact OD1-NH2 2.79Å; D151-R380 WeakPolarHBondContact OD2-CG 3.41Å; D151-R380 IonicContact OD2-CZ 3.44Å; D151-R380 IonicContact OD2-NE 3.08Å; D151-R380 PolarHBondContact OD2-NE 3.02Å; D151-R380 IonicContact OD2-NH2 3.1Å; D151-R380 PolarHBondContact OD2-NH2 2.73Å; T152-R380 HydrophobicContact CG2-CB 4.01Å; T152-R380 HydrophobicContact CG2-CG 3.64Å; W270-R380 HydrophobicContact CB-CB 4.1Å; W270-R380 HydrophobicContact CB-CG 4.06Å; W270-R380 VanDerWaalsContact CD1-NH1 3.33Å; W270-R380 HydrophobicContact CG-CG 4.27Å; S378-R380 WeakPolarHBondContact CB-O 3.42Å; S378-R380 PolarHBondContact O-N 2.98Å; S378-R380 WeakPolarHBondContact OG-CA 3.5Å; S378-R380 WeakPolarHBondContact OG-CB 3.49Å; S378-R380 PolarHBondContact OG-N 2.85Å; S378-R380 PolarHBondContact OG-O 3.22Å; R380-V382 HydrophobicContact CG-CG2 3.7Å; R380-V382 PolarHBondContact O-N 2.95Å; R380-V382 VanDerWaalsContact O-N 3.13Å |
| 381 | R | 63.5 | Low | 78.7 | Confident | 152 Ų | 152 | 71.6 Ų | 71.6 | 57% | 0.574 | 39% | 0.388 | S | S | * | . | trans | -72.9 | 98.8 | 173.9 | -65.9 | -175.5 | -177.3 | 173.5 | 0.8 | 107.9 | A379 | A379-R381 PolarHBondContact O-N 3.14Š| ||
| 382 | V | 68.6 | Low | 78.6 | Confident | 27 Ų | 27 | 71.3 Ų | 71.3 | 16% | 0.164 | 39% | 0.387 | C | S | . | . | trans | -120.3 | 119.2 | 168.4 | 170.5 | 0 | 0 | 0 | 0 | 105.4 | D151 W270 L374 R380 K384 | D151-V382 WeakPolarHBondContact OD2-CG2 3.44Å; W270-V382 HydrophobicContact CD2-CG2 4.43Å; W270-V382 HydrophobicContact CE3-CB 4.19Å; W270-V382 HydrophobicContact CE3-CG1 4.06Å; W270-V382 HydrophobicContact CE3-CG2 4.16Å; W270-V382 HydrophobicContact CZ3-CG1 4Å; L374-V382 HydrophobicContact CD1-CG1 4.44Å; L374-V382 WeakPolarHBondContact CD1-O 3.41Å; L374-V382 HydrophobicContact CD2-CB 4.33Å; L374-V382 HydrophobicContact CD2-CG1 3.76Å; R380-V382 HydrophobicContact CG-CG2 3.7Å; R380-V382 PolarHBondContact O-N 2.95Å; R380-V382 VanDerWaalsContact O-N 3.13Å; V382-K384 WeakPolarHBondContact CG1-O 3.04Å | ||
| 383 | S | 71.7 | Confident | 78.6 | Confident | 93 Ų | 93 | 71.1 Ų | 71.1 | 65% | 0.65 | 39% | 0.387 | S | S | * | . | trans | -84.2 | -23.1 | -176.7 | 58.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 384 | K | 79.9 | Confident | 78.8 | Confident | 167 Ų | 167 | 68.6 Ų | 68.6 | 73% | 0.726 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -148.5 | 151.3 | -177.8 | -64.6 | -173.7 | -179.7 | -177.8 | 0 | 110.6 | V382 | V382-K384 WeakPolarHBondContact CG1-O 3.04Š|
| 385 | L | 80.4 | Confident | 79 | Confident | 39 Ų | 39 | 66 Ų | 66 | 20% | 0.204 | 36% | 0.355 | C | S | . | . | trans | -57.2 | 144.3 | 169.7 | -71.5 | 172.2 | 0 | 0 | 0 | 110.2 | W270 L271 L372 L374 S387 E391 | W270-L385 HydrophobicContact CZ3-CD2 4.31Å; L271-L385 HydrophobicContact CD1-CD2 3.45Å; L271-L385 VanDerWaalsContact CD1-CD2 3.45Å; L372-L385 HydrophobicContact CB-CD1 3.95Å; L372-L385 HydrophobicContact CB-CD2 4.33Å; L374-L385 HydrophobicContact CD2-CD2 3.91Å; L374-L385 HydrophobicContact CD2-CG 4.44Å; L374-L385 HydrophobicContact CG-CD2 4.4Å; L385-S387 PolarHBondContact O-N 2.79Å; L385-E391 HydrophobicContact CD1-CB 4.07Å; L385-E391 HydrophobicContact CD1-CG 4.25Å | ||
| 386 | P | 76 | Confident | 79.3 | Confident | 41 Ų | 41 | 65.4 Ų | 65.4 | 27% | 0.266 | 35% | 0.348 | S | S | . | . | trans | -53.7 | 139.6 | 170.3 | -24.7 | 33.6 | 0 | 0 | 0 | 111.1 | W270 H388 L389 | W270-P386 HydrophobicContact CH2-CG 3.88Å; P386-H388 WeakPolarHBondContact CB-CE1 3.5Å; P386-H388 PolarHBondContact O-N 2.88Å; P386-L389 HydrophobicContact CB-CD1 4.47Å; P386-L389 HydrophobicContact CB-CG 4.44Å; P386-L389 HydrophobicContact CG-CD1 4.1Å; P386-L389 PolarHBondContact O-N 2.83Å | ||
| 387 | S | 74.7 | Confident | 80 | Confident | 71 Ų | 71 | 62 Ų | 62 | 50% | 0.497 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -16.8 | -175 | 53.4 | 0 | 0 | 0 | 0 | 115 | A287 I288 L385 | A287-S387 WeakPolarHBondContact CA-O 3.49Å; A287-S387 WeakPolarHBondContact CB-O 3.47Å; I288-S387 WeakPolarHBondContact O-CB 3.47Å; I288-S387 PolarHBondContact O-OG 2.71Å; L385-S387 PolarHBondContact O-N 2.79Å |
| 388 | H | 76.6 | Confident | 80.9 | Confident | 31 Ų | 31 | 54.3 Ų | 54.3 | 14% | 0.144 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -10.7 | 176.8 | 64.4 | -83.3 | 0 | 0 | 0 | 114.7 | A287 P386 P390 C402 | A287-H388 VanDerWaalsContact CB-CA 3.49Å; A287-H388 HydrophobicContact CB-CB 4.15Å; P386-H388 WeakPolarHBondContact CB-CE1 3.5Å; P386-H388 PolarHBondContact O-N 2.88Å; H388-P390 WeakPolarHBondContact O-CD 3.03Å; H388-C402 PolarHBondContact O-SG 3.37Å; H388-C402 VanDerWaalsContact O-SG 3.41Å |
| 389 | L | 82 | Confident | 81.8 | Confident | 9 Ų | 9 | 53.2 Ų | 53.2 | 5% | 0.047 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -104.3 | 106.2 | 177.7 | -66.6 | -177.3 | 0 | 0 | 0 | 109.4 | L372 P386 L398 C402 L403 | L372-L389 HydrophobicContact CD1-CB 4.13Å; P386-L389 HydrophobicContact CB-CD1 4.47Å; P386-L389 HydrophobicContact CB-CG 4.44Å; P386-L389 HydrophobicContact CG-CD1 4.1Å; P386-L389 PolarHBondContact O-N 2.83Å; L389-L398 HydrophobicContact CD2-CD2 4.25Å; L389-C402 HydrophobicContact CD2-CB 3.98Å; L389-L403 HydrophobicContact CD2-CD2 4.28Å |
| 390 | P | 85.5 | Confident | 82.9 | Confident | 23 Ų | 23 | 50.2 Ų | 50.2 | 15% | 0.149 | 24% | 0.244 | C | C | . | . | trans | -67.7 | 140.6 | 176.6 | 28.3 | -35.3 | 0 | 0 | 0 | 111.2 | C284 H388 R392 Y397 L398 | C284-P390 HydrophobicContact CB-CB 3.95Å; C284-P390 HydrophobicContact CB-CG 4.16Å; H388-P390 WeakPolarHBondContact O-CD 3.03Å; P390-R392 VanDerWaalsContact C-N 3.28Å; P390-R392 PolarHBondContact O-N 2.78Å; P390-Y397 HydrophobicContact CG-CD1 4.32Å; P390-Y397 HydrophobicContact CG-CE1 4.08Å; P390-L398 HydrophobicContact CG-CD2 4.21Å | ||
| 391 | E | 89.7 | Confident | 83.8 | Confident | 131 Ų | 131 | 52.9 Ų | 52.9 | 61% | 0.612 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -61.7 | -36.9 | 176.4 | -170.8 | -175.4 | 149.7 | 0 | 0 | 111.9 | R371 L372 L385 | R371-E391 CarbonylContact C-O 3.5Å; R371-E391 VanDerWaalsContact CA-O 3.27Å; R371-E391 WeakPolarHBondContact CA-O 3.42Å; L372-E391 PolarHBondContact N-O 3.48Å; L372-E391 WeakPolarHBondContact O-CG 3.42Å; L385-E391 HydrophobicContact CD1-CB 4.07Å; L385-E391 HydrophobicContact CD1-CG 4.25Å |
| 392 | R | 92.1 | Very high | 84.8 | Confident | 117 Ų | 117 | 46 Ų | 46 | 44% | 0.442 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 118.9 | 178.6 | -176.7 | -179.1 | -179.9 | -108.9 | 0.8 | 110.2 | C284 V369 P390 | C284-R392 PolarHBondContact SG-O 2.77Å; V369-R392 HydrophobicContact CG1-CG 3.99Å; P390-R392 VanDerWaalsContact C-N 3.28Å; P390-R392 PolarHBondContact O-N 2.78Å |
| 393 | S | 92.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159 | -159 | 178.9 | 59.5 | 0 | 0 | 0 | 0 | 110.8 | F280 C284 C370 L398 | F280-S393 VanDerWaalsContact CE2-CA 3.5Å; C284-S393 WeakPolarHBondContact SG-CB 3.3Å; C370-S393 WeakPolarHBondContact CA-O 3.48Å; C370-S393 PolarHBondContact N-O 3.37Å; C370-S393 PolarHBondContact O-N 2.9Å; C370-S393 VanDerWaalsContact O-O 3.11Å; S393-L398 WeakPolarHBondContact OG-CD2 3.22Å; S393-L398 WeakPolarHBondContact OG-CG 3.48Å |
| 394 | S | 93.7 | Very high | 86.1 | Confident | 6 Ų | 6 | 42 Ų | 42 | 4% | 0.042 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 161.4 | 165 | 72.8 | 0 | 0 | 0 | 0 | 110.7 | A366 K368 R396 Y397 L398 | A366-S394 WeakPolarHBondContact O-CB 3.48Å; K368-S394 WeakPolarHBondContact O-CA 3.31Å; K368-S394 WeakPolarHBondContact O-CB 3.41Å; S394-R396 VanDerWaalsContact C-N 3.25Å; S394-R396 PolarHBondContact O-N 2.79Å; S394-Y397 WeakPolarHBondContact O-CB 3.41Å; S394-Y397 PolarHBondContact O-N 3.15Å; S394-Y397 VanDerWaalsContact O-N 3.13Å; S394-Y397 WeakPolarHBondContact OG-CB 3.47Å; S394-Y397 PolarHBondContact OG-N 3.24Å; S394-L398 WeakPolarHBondContact O-CG 3.18Å; S394-L398 PolarHBondContact O-N 2.87Å |
| 395 | L | 93.5 | Very high | 86.4 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.4 | -39.1 | 176.8 | -58.7 | -176.5 | 0 | 0 | 0 | 111.4 | V275 L357 L362 V365 A366 C370 Y397 L398 F399 I467 | V275-L395 HydrophobicContact CG2-CD1 4.15Å; V275-L395 HydrophobicContact CG2-CD2 4.43Å; V275-L395 HydrophobicContact CG2-CG 4.35Å; L357-L395 HydrophobicContact CD2-CB 4.26Å; L362-L395 HydrophobicContact CD1-CD1 4.37Å; L362-L395 HydrophobicContact CD2-CD1 4.12Å; V365-L395 HydrophobicContact CG2-CD1 4.11Å; A366-L395 PolarHBondContact O-N 2.68Å; C370-L395 HydrophobicContact CB-CD2 3.9Å; C370-L395 HydrophobicContact CB-CG 4.42Å; C370-L395 VanDerWaalsContact SG-CD2 3.53Å; L395-Y397 VanDerWaalsContact C-N 3.34Å; L395-Y397 PolarHBondContact O-N 3.34Å; L395-L398 HydrophobicContact CD2-CD1 4.33Å; L395-L398 PolarHBondContact O-N 3.03Å; L395-F399 WeakPolarHBondContact O-CD2 3.06Å; L395-F399 PolarHBondContact O-N 3.02Å; L395-I467 HydrophobicContact CB-CD1 4.26Å; L395-I467 HydrophobicContact CD1-CD1 3.53Å; L395-I467 HydrophobicContact CD2-CD1 3.37Å; L395-I467 HydrophobicContact CG-CD1 3.88Å |
| 396 | R | 92.7 | Very high | 86.7 | Confident | 54 Ų | 54 | 34.4 Ų | 34.4 | 20% | 0.204 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.5 | -45.7 | 173.3 | -178.5 | 174.7 | -49.8 | -63.8 | -1.5 | 111.5 | V353 N354 L357 A366 D367 S394 L398 F399 T400 | V353-R396 HydrophobicContact CG1-CG 4.25Å; N354-R396 PolarHBondContact OD1-NH1 3.33Å; L357-R396 HydrophobicContact CD1-CB 4.29Å; A366-R396 WeakPolarHBondContact O-CB 3.11Å; A366-R396 PolarHBondContact O-N 2.85Å; D367-R396 VanDerWaalsContact CG-NE 3.3Å; D367-R396 WeakPolarHBondContact OD1-CD 3.22Å; D367-R396 IonicContact OD1-CZ 3.22Å; D367-R396 IonicContact OD1-NE 3.88Å; D367-R396 PolarHBondContact OD1-NE 3.02Å; D367-R396 IonicContact OD1-NH2 3.94Å; D367-R396 IonicContact OD2-CZ 2.7Å; D367-R396 IonicContact OD2-NE 3.53Å; D367-R396 PolarHBondContact OD2-NE 3.27Å; D367-R396 VanDerWaalsContact OD2-NE 3.13Å; D367-R396 IonicContact OD2-NH2 2.89Å; D367-R396 PolarHBondContact OD2-NH2 3.24Å; S394-R396 VanDerWaalsContact C-N 3.25Å; S394-R396 PolarHBondContact O-N 2.79Å; R396-L398 VanDerWaalsContact C-N 3.34Å; R396-L398 PolarHBondContact O-N 2.64Å; R396-F399 PolarHBondContact O-N 3.35Å; R396-T400 VanDerWaalsContact O-CB 3.25Å; R396-T400 WeakPolarHBondContact O-CB 3.2Å; R396-T400 PolarHBondContact O-N 2.82Å; R396-T400 PolarHBondContact O-OG1 3.31Å |
| 397 | Y | 91.2 | Very high | 87 | Confident | 49 Ų | 49 | 35.7 Ų | 35.7 | 19% | 0.192 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.3 | -47.2 | 178.1 | -175.7 | -85.7 | 0 | 0 | 0 | 111 | C284 P390 S394 L395 F399 T400 H401 | C284-Y397 HydrophobicContact CB-CE1 3.86Å; C284-Y397 HydrophobicContact CB-CE2 4.45Å; P390-Y397 HydrophobicContact CG-CD1 4.32Å; P390-Y397 HydrophobicContact CG-CE1 4.08Å; S394-Y397 WeakPolarHBondContact O-CB 3.41Å; S394-Y397 PolarHBondContact O-N 3.15Å; S394-Y397 VanDerWaalsContact O-N 3.13Å; S394-Y397 WeakPolarHBondContact OG-CB 3.47Å; S394-Y397 PolarHBondContact OG-N 3.24Å; L395-Y397 VanDerWaalsContact C-N 3.34Å; L395-Y397 PolarHBondContact O-N 3.34Å; Y397-F399 PolarHBondContact O-N 3.3Å; Y397-T400 PolarHBondContact O-N 3.47Å; Y397-T400 VanDerWaalsContact O-N 3.14Å; Y397-H401 AromaticContact CD2-CD2 3.62Å; Y397-H401 HydrophobicContact CE1-CB 4.25Å; Y397-H401 AromaticContact CE2-CD2 3.61Å; Y397-H401 PolarHBondContact O-N 3.29Å |
| 398 | L | 89.4 | Confident | 87.6 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | I | π-helix | trans | -57.7 | -50 | 177.9 | -67 | 171.3 | 0 | 0 | 0 | 111.7 | L372 L389 P390 S393 S394 L395 R396 T400 C402 L403 L471 | L372-L398 HydrophobicContact CD1-CD1 4.2Å; L372-L398 HydrophobicContact CD1-CD2 4.1Å; L372-L398 HydrophobicContact CD2-CD1 4.22Å; L372-L398 HydrophobicContact CG-CD1 4.46Å; L389-L398 HydrophobicContact CD2-CD2 4.25Å; P390-L398 HydrophobicContact CG-CD2 4.21Å; S393-L398 WeakPolarHBondContact OG-CD2 3.22Å; S393-L398 WeakPolarHBondContact OG-CG 3.48Å; S394-L398 WeakPolarHBondContact O-CG 3.18Å; S394-L398 PolarHBondContact O-N 2.87Å; L395-L398 HydrophobicContact CD2-CD1 4.33Å; L395-L398 PolarHBondContact O-N 3.03Å; R396-L398 VanDerWaalsContact C-N 3.34Å; R396-L398 PolarHBondContact O-N 2.64Å; L398-T400 VanDerWaalsContact C-N 3.27Å; L398-T400 PolarHBondContact O-N 3.28Å; L398-C402 HydrophobicContact CD2-CB 4.11Å; L398-C402 CarbonylContact O-C 3.55Å; L398-C402 WeakPolarHBondContact O-CA 3.33Å; L398-C402 WeakPolarHBondContact O-CB 3.48Å; L398-C402 PolarHBondContact O-N 3.18Å; L398-L403 WeakPolarHBondContact O-CG 3.24Å; L398-L403 PolarHBondContact O-N 3.4Å; L398-L471 HydrophobicContact CB-CD2 4.38Å; L398-L471 HydrophobicContact CD1-CD1 4.07Å; L398-L471 HydrophobicContact CD1-CD2 4.11Å |
| 399 | F | 90.2 | Very high | 88.2 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.009 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -69.9 | -21.5 | 178.2 | -71.9 | -59.4 | 0 | 0 | 0 | 113.9 | N348 V353 L356 L357 L360 L362 L395 R396 Y397 L403 I405 I467 L471 | N348-F399 PolarHBondContact ND2-O 3.45Å; V353-F399 HydrophobicContact CG1-CB 3.84Å; V353-F399 HydrophobicContact CG2-CB 4.29Å; V353-F399 WeakPolarHBondContact CG2-O 3.46Å; L356-F399 HydrophobicContact CD2-CD1 3.66Å; L356-F399 HydrophobicContact CD2-CE1 3.71Å; L356-F399 HydrophobicContact CD2-CG 4.25Å; L356-F399 HydrophobicContact CD2-CZ 4.32Å; L357-F399 HydrophobicContact CD2-CD2 3.78Å; L357-F399 HydrophobicContact CD2-CE2 3.93Å; L357-F399 HydrophobicContact CG-CD2 4.31Å; L360-F399 HydrophobicContact CD1-CZ 4.48Å; L362-F399 HydrophobicContact CD1-CE2 4.38Å; L395-F399 WeakPolarHBondContact O-CD2 3.06Å; L395-F399 PolarHBondContact O-N 3.02Å; R396-F399 PolarHBondContact O-N 3.35Å; Y397-F399 PolarHBondContact O-N 3.3Å; F399-L403 HydrophobicContact CD1-CD1 3.61Å; F399-L403 HydrophobicContact CE1-CD1 3.73Å; F399-L403 HydrophobicContact CG-CD1 4.44Å; F399-I405 HydrophobicContact CD1-CG2 4Å; F399-I467 HydrophobicContact CE2-CD1 3.82Å; F399-I467 HydrophobicContact CE2-CG1 4.48Å; F399-I467 HydrophobicContact CZ-CD1 4.02Å; F399-I467 HydrophobicContact CZ-CG1 4.18Å; F399-L471 HydrophobicContact CZ-CD2 4.43Å |
| 400 | T | 90 | Very high | 88.5 | Confident | 19 Ų | 19 | 32.4 Ų | 32.4 | 12% | 0.117 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -87.4 | -42.9 | -179.5 | -54.5 | 0 | 0 | 0 | 0 | 111.9 | P347 N348 R396 Y397 L398 | P347-T400 CarbonylContact C-O 3.54Å; P347-T400 VanDerWaalsContact CA-O 3.25Å; P347-T400 WeakPolarHBondContact CA-O 3.15Å; P347-T400 HydrophobicContact CB-CG2 3.9Å; N348-T400 PolarHBondContact N-O 2.8Å; R396-T400 VanDerWaalsContact O-CB 3.25Å; R396-T400 WeakPolarHBondContact O-CB 3.2Å; R396-T400 PolarHBondContact O-N 2.82Å; R396-T400 PolarHBondContact O-OG1 3.31Å; Y397-T400 PolarHBondContact O-N 3.47Å; Y397-T400 VanDerWaalsContact O-N 3.14Å; L398-T400 VanDerWaalsContact C-N 3.27Å; L398-T400 PolarHBondContact O-N 3.28Å |
| 401 | H | 86.2 | Confident | 88.7 | Confident | 78 Ų | 78 | 32.4 Ų | 32.4 | 36% | 0.361 | 15% | 0.148 | S | C | . | . | I | π-helix | trans | -118.4 | -22.8 | -167.1 | -62.9 | -65.6 | 0 | 0 | 0 | 114.3 | Y397 | Y397-H401 AromaticContact CD2-CD2 3.62Å; Y397-H401 HydrophobicContact CE1-CB 4.25Å; Y397-H401 AromaticContact CE2-CD2 3.61Å; Y397-H401 PolarHBondContact O-N 3.29Å |
| 402 | C | 83.5 | Confident | 88.5 | Confident | 9 Ų | 9 | 26.3 Ų | 26.3 | 6% | 0.061 | 12% | 0.119 | C | C | . | . | I | π-helix | trans | -109.7 | -14.6 | -169.3 | -58.6 | 0 | 0 | 0 | 0 | 114.1 | H388 L389 L398 V476 | H388-C402 PolarHBondContact O-SG 3.37Å; H388-C402 VanDerWaalsContact O-SG 3.41Å; L389-C402 HydrophobicContact CD2-CB 3.98Å; L398-C402 HydrophobicContact CD2-CB 4.11Å; L398-C402 CarbonylContact O-C 3.55Å; L398-C402 WeakPolarHBondContact O-CA 3.33Å; L398-C402 WeakPolarHBondContact O-CB 3.48Å; L398-C402 PolarHBondContact O-N 3.18Å; C402-V476 WeakPolarHBondContact O-CG2 3.37Å |
| 403 | L | 84.2 | Confident | 88.4 | Confident | 8 Ų | 8 | 21.1 Ų | 21.1 | 4% | 0.042 | 10% | 0.101 | C | C | . | . | trans | -122.9 | 139.9 | -172.2 | -64.1 | 178.5 | 0 | 0 | 0 | 112 | N348 L389 L398 F399 I405 L471 V476 | N348-L403 PolarHBondContact ND2-O 2.59Å; L389-L403 HydrophobicContact CD2-CD2 4.28Å; L398-L403 WeakPolarHBondContact O-CG 3.24Å; L398-L403 PolarHBondContact O-N 3.4Å; F399-L403 HydrophobicContact CD1-CD1 3.61Å; F399-L403 HydrophobicContact CE1-CD1 3.73Å; F399-L403 HydrophobicContact CG-CD1 4.44Å; L403-I405 HydrophobicContact CB-CG2 4.45Å; L403-L471 HydrophobicContact CD1-CD2 3.46Å; L403-L471 VanDerWaalsContact CD1-CD2 3.46Å; L403-V476 HydrophobicContact CB-CG2 4.36Å; L403-V476 HydrophobicContact CD2-CG2 4.02Å | ||
| 404 | D | 83.5 | Confident | 88.4 | Confident | 28 Ų | 28 | 21.1 Ų | 21.1 | 15% | 0.15 | 10% | 0.101 | C | C | . | . | trans | -91.4 | 105.9 | 165.1 | -174 | -14.2 | 0 | 0 | 0 | 108.5 | R406 Q407 V476 | D404-R406 VanDerWaalsContact C-N 3.33Å; D404-R406 WeakPolarHBondContact OD1-CA 3.43Å; D404-R406 PolarHBondContact OD1-N 3.45Å; D404-Q407 PolarHBondContact OD1-N 3.14Å; D404-Q407 VanDerWaalsContact OD1-N 3.17Å; D404-V476 VanDerWaalsContact N-CG2 3.31Å | ||
| 405 | I | 87.2 | Confident | 88.3 | Confident | 4 Ų | 4 | 22.5 Ų | 22.5 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -87.4 | -5 | 179.3 | 66.2 | 179.5 | 0 | 0 | 0 | 112.7 | N348 E352 V353 L356 F399 L403 L454 | N348-I405 HydrophobicContact CB-CD1 3.95Å; N348-I405 HydrophobicContact CB-CG1 4.27Å; E352-I405 HydrophobicContact CB-CD1 3.89Å; V353-I405 HydrophobicContact CG2-CD1 4.11Å; L356-I405 HydrophobicContact CD2-CB 4.37Å; L356-I405 HydrophobicContact CD2-CG2 3.84Å; F399-I405 HydrophobicContact CD1-CG2 4Å; L403-I405 HydrophobicContact CB-CG2 4.45Å; I405-L454 HydrophobicContact CB-CD1 3.91Å; I405-L454 HydrophobicContact CD1-CD1 4.19Å; I405-L454 HydrophobicContact CG1-CD1 4.07Å; I405-L454 VanDerWaalsContact O-CD1 3.25Å; I405-L454 WeakPolarHBondContact O-CD1 3.5Å |
| 406 | R | 86.1 | Confident | 88.1 | Confident | 42 Ų | 42 | 22.7 Ų | 22.7 | 16% | 0.158 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -97.4 | -10.4 | 179 | -64.3 | -157.2 | -177.3 | 145.7 | -16.4 | 113.5 | E352 D404 S452 Q521 G522 V523 | E352-R406 VanDerWaalsContact CD-NH2 3.31Å; E352-R406 IonicContact OE1-CZ 3.27Å; E352-R406 VanDerWaalsContact OE1-CZ 3.28Å; E352-R406 IonicContact OE1-NE 2.84Å; E352-R406 PolarHBondContact OE1-NE 2.81Å; E352-R406 VanDerWaalsContact OE1-NE 3.12Å; E352-R406 IonicContact OE1-NH2 3.37Å; E352-R406 PolarHBondContact OE1-NH2 2.72Å; E352-R406 IonicContact OE2-CZ 2.68Å; E352-R406 IonicContact OE2-NE 2.92Å; E352-R406 PolarHBondContact OE2-NE 2.87Å; E352-R406 IonicContact OE2-NH2 3.36Å; E352-R406 PolarHBondContact OE2-NH2 2.68Å; D404-R406 VanDerWaalsContact C-N 3.33Å; D404-R406 WeakPolarHBondContact OD1-CA 3.43Å; D404-R406 PolarHBondContact OD1-N 3.45Å; R406-S452 WeakPolarHBondContact O-CB 3.16Å; R406-Q521 PolarHBondContact NH1-O 3.46Å; R406-G522 PolarHBondContact NH1-O 3.25Å; R406-V523 HydrophobicContact CB-CG2 4.01Å; R406-V523 HydrophobicContact CG-CG2 3.8Å |
| 407 | Q | 81.7 | Confident | 88.2 | Confident | 67 Ų | 67 | 20.1 Ų | 20.1 | 31% | 0.313 | 10% | 0.096 | S | C | . | . | S | Bend | trans | -57.9 | 144.3 | 175 | -166.5 | 179.2 | 19.8 | 0 | 0 | 111.6 | D404 L453 R475 | D404-Q407 PolarHBondContact OD1-N 3.14Å; D404-Q407 VanDerWaalsContact OD1-N 3.17Å; Q407-L453 PolarHBondContact O-N 3.48Å; Q407-R475 PolarHBondContact OE1-O 3.15Å; Q407-R475 VanDerWaalsContact OE1-O 3.1Å |
| 408 | C | 88.2 | Confident | 88.3 | Confident | 25 Ų | 25 | 17.8 Ų | 17.8 | 17% | 0.169 | 9% | 0.087 | C | C | . | . | P | Polyproline II helix | trans | -62.9 | 130.7 | 171.6 | -64.7 | 0 | 0 | 0 | 0 | 111.1 | S410 I446 L451 | C408-S410 PolarHBondContact O-N 3.09Å; C408-I446 HydrophobicContact CB-CG2 4.02Å; C408-I446 PolarHBondContact SG-O 3.3Å; C408-L451 VanDerWaalsContact CA-O 3.24Å; C408-L451 WeakPolarHBondContact CA-O 3.47Å; C408-L451 PolarHBondContact SG-O 2.84Å |
| 409 | P | 90 | Very high | 88.4 | Confident | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.006 | 10% | 0.102 | C | C | . | . | P | Polyproline II helix | trans | -64.8 | 130.9 | 178.6 | 24.8 | -32.4 | 0 | 0 | 0 | 111.4 | M413 L414 Y442 I446 L451 V456 | P409-M413 HydrophobicContact CB-CE 3.29Å; P409-L414 HydrophobicContact CB-CD2 4.03Å; P409-L414 HydrophobicContact CG-CD2 3.96Å; P409-Y442 WeakPolarHBondContact O-CE2 3.32Å; P409-Y442 PolarHBondContact O-OH 3.13Å; P409-I446 HydrophobicContact CG-CG2 4.1Å; P409-L451 WeakPolarHBondContact CD-O 3.44Å; P409-V456 HydrophobicContact CG-CB 4.27Å; P409-V456 HydrophobicContact CG-CG2 3.59Å |
| 410 | S | 87.3 | Confident | 88.6 | Confident | 17 Ų | 17 | 23.6 Ų | 23.6 | 12% | 0.119 | 12% | 0.116 | C | C | . | . | P | Polyproline II helix | trans | -63.9 | 157.2 | 175.9 | 69.4 | 0 | 0 | 0 | 0 | 111.6 | N115 C408 L412 M413 L414 | N115-S410 VanDerWaalsContact ND2-CB 3.29Å; N115-S410 WeakPolarHBondContact ND2-CB 3.49Å; N115-S410 WeakPolarHBondContact OD1-CA 3.45Å; C408-S410 PolarHBondContact O-N 3.09Å; S410-L412 PolarHBondContact O-N 2.84Å; S410-M413 WeakPolarHBondContact O-CA 3.31Å; S410-M413 WeakPolarHBondContact O-CB 3.37Å; S410-M413 PolarHBondContact O-N 3.36Å; S410-M413 WeakPolarHBondContact OG-CB 3.44Å; S410-M413 PolarHBondContact OG-N 3.23Å; S410-L414 WeakPolarHBondContact O-CG 3Å; S410-L414 PolarHBondContact O-N 2.85Å |
| 411 | R | 89.4 | Confident | 88.8 | Confident | 22 Ų | 22 | 23.4 Ų | 23.4 | 8% | 0.083 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -55.9 | -36 | 173.5 | -70.5 | 177.5 | 60.2 | -147.6 | -12.5 | 111.7 | N115 L262 L414 R415 C434 S435 Y442 | N115-R411 PolarHBondContact OD1-N 2.61Å; L262-R411 HydrophobicContact CD1-CB 3.81Å; R411-L414 PolarHBondContact O-N 2.99Å; R411-R415 PolarHBondContact O-N 3.3Å; R411-C434 HydrophobicContact CB-CB 4.26Å; R411-C434 PolarHBondContact NE-O 3.39Å; R411-C434 PolarHBondContact NH2-O 2.8Å; R411-C434 WeakPolarHBondContact O-CB 3.29Å; R411-S435 PolarHBondContact NH2-O 2.65Å; R411-Y442 HydrophobicContact CG-CD1 3.86Å; R411-Y442 HydrophobicContact CG-CD2 3.66Å; R411-Y442 HydrophobicContact CG-CE1 3.86Å; R411-Y442 HydrophobicContact CG-CE2 3.69Å; R411-Y442 HydrophobicContact CG-CG 3.77Å |
| 412 | L | 86.4 | Confident | 89.1 | Confident | 3 Ų | 3 | 27.8 Ų | 27.8 | 2% | 0.016 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -69.8 | -34.1 | 176.2 | -169.1 | 59.7 | 0 | 0 | 0 | 112.8 | V148 L262 Q266 L267 S410 R415 L416 | V148-L412 HydrophobicContact CB-CD2 4.16Å; V148-L412 HydrophobicContact CG1-CD2 4.32Å; V148-L412 HydrophobicContact CG2-CD2 3.77Å; L262-L412 HydrophobicContact CB-CD1 4.43Å; Q266-L412 HydrophobicContact CB-CD1 4.41Å; Q266-L412 HydrophobicContact CB-CD2 4.45Å; L267-L412 HydrophobicContact CB-CD1 4.12Å; L267-L412 HydrophobicContact CB-CD2 3.81Å; L267-L412 HydrophobicContact CB-CG 3.92Å; L267-L412 HydrophobicContact CD1-CD2 3.68Å; L267-L412 HydrophobicContact CD1-CG 4.1Å; L267-L412 HydrophobicContact CD2-CG 4.34Å; L267-L412 HydrophobicContact CG-CD2 4.23Å; L267-L412 HydrophobicContact CG-CG 4.32Å; S410-L412 PolarHBondContact O-N 2.84Å; L412-R415 WeakPolarHBondContact O-CB 3.35Å; L412-R415 PolarHBondContact O-N 3.47Å; L412-L416 PolarHBondContact O-N 2.96Å |
| 413 | M | 88.9 | Confident | 89.5 | Confident | 9 Ų | 9 | 28.6 Ų | 28.6 | 4% | 0.044 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.6 | -38.8 | 172.4 | -172.6 | 156.2 | 81.8 | 0 | 0 | 111.8 | P409 S410 R415 L416 F417 L453 L470 | P409-M413 HydrophobicContact CB-CE 3.29Å; S410-M413 WeakPolarHBondContact O-CA 3.31Å; S410-M413 WeakPolarHBondContact O-CB 3.37Å; S410-M413 PolarHBondContact O-N 3.36Å; S410-M413 WeakPolarHBondContact OG-CB 3.44Å; S410-M413 PolarHBondContact OG-N 3.23Å; M413-R415 VanDerWaalsContact C-N 3.29Å; M413-R415 PolarHBondContact O-N 3.12Å; M413-L416 WeakPolarHBondContact O-CB 3.47Å; M413-L416 PolarHBondContact O-N 3.02Å; M413-L416 VanDerWaalsContact O-N 3.16Å; M413-F417 HydrophobicContact CE-CE2 4.23Å; M413-F417 HydrophobicContact CE-CZ 3.82Å; M413-F417 HydrophobicContact CG-CD1 4.18Å; M413-F417 HydrophobicContact CG-CE1 3.51Å; M413-F417 HydrophobicContact CG-CE2 3.97Å; M413-F417 HydrophobicContact CG-CZ 3.38Å; M413-F417 WeakPolarHBondContact O-CD1 3.49Å; M413-F417 VanDerWaalsContact O-CG 3.3Å; M413-F417 WeakPolarHBondContact O-CG 3.35Å; M413-F417 PolarHBondContact O-N 3.44Å; M413-F417 HydrophobicContact SD-CE1 4.1Å; M413-F417 HydrophobicContact SD-CZ 3.72Å; M413-L453 HydrophobicContact CE-CD1 3.83Å; M413-L470 HydrophobicContact SD-CD2 4.11Å |
| 414 | L | 92.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.2 | -38.6 | 172.1 | -59.9 | 177.5 | 0 | 0 | 0 | 111.7 | P409 S410 R411 L416 F417 A418 L430 L433 C434 Y442 I446 V456 | P409-L414 HydrophobicContact CB-CD2 4.03Å; P409-L414 HydrophobicContact CG-CD2 3.96Å; S410-L414 WeakPolarHBondContact O-CG 3Å; S410-L414 PolarHBondContact O-N 2.85Å; R411-L414 PolarHBondContact O-N 2.99Å; L414-L416 VanDerWaalsContact C-N 3.31Å; L414-L416 PolarHBondContact O-N 3.33Å; L414-F417 HydrophobicContact CD2-CD2 4.33Å; L414-F417 WeakPolarHBondContact O-CB 3.28Å; L414-F417 PolarHBondContact O-N 3.13Å; L414-A418 PolarHBondContact O-N 3.48Å; L414-L430 HydrophobicContact CB-CD2 4.23Å; L414-L430 HydrophobicContact CD2-CD2 3.9Å; L414-L433 HydrophobicContact CD1-CB 3.98Å; L414-C434 HydrophobicContact CB-CB 4.16Å; L414-Y442 HydrophobicContact CD1-CD2 3.77Å; L414-Y442 HydrophobicContact CD1-CE2 3.94Å; L414-I446 HydrophobicContact CD1-CD1 3.39Å; L414-I446 HydrophobicContact CD2-CD1 4.15Å; L414-I446 HydrophobicContact CG-CD1 4.37Å; L414-V456 HydrophobicContact CD2-CG1 3.87Å; L414-V456 HydrophobicContact CD2-CG2 4.5Å |
| 415 | R | 91.6 | Very high | 90.3 | Very high | 35 Ų | 35 | 40 Ų | 40 | 13% | 0.132 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.3 | -43.6 | 173.2 | 174.3 | 61.7 | -169.9 | 93.5 | 3.3 | 111.5 | L262 L264 R411 L412 M413 A418 D419 C434 | L262-R415 WeakPolarHBondContact O-CD 3.35Å; L262-R415 WeakPolarHBondContact O-CG 3.31Å; L262-R415 PolarHBondContact O-NE 3.39Å; L264-R415 HydrophobicContact CD2-CG 3.81Å; L264-R415 HydrophobicContact CG-CG 3.92Å; R411-R415 PolarHBondContact O-N 3.3Å; L412-R415 WeakPolarHBondContact O-CB 3.35Å; L412-R415 PolarHBondContact O-N 3.47Å; M413-R415 VanDerWaalsContact C-N 3.29Å; M413-R415 PolarHBondContact O-N 3.12Å; R415-A418 WeakPolarHBondContact O-CB 3.36Å; R415-A418 PolarHBondContact O-N 3.03Å; R415-D419 IonicContact CZ-OD1 3.38Å; R415-D419 IonicContact CZ-OD2 2.94Å; R415-D419 VanDerWaalsContact CZ-OD2 3.3Å; R415-D419 IonicContact NH1-OD1 3.11Å; R415-D419 PolarHBondContact NH1-OD1 3.46Å; R415-D419 IonicContact NH1-OD2 2.88Å; R415-D419 PolarHBondContact NH1-OD2 3.33Å; R415-D419 IonicContact NH2-OD1 2.89Å; R415-D419 IonicContact NH2-OD2 3.09Å; R415-D419 PolarHBondContact NH2-OD2 3.22Å; R415-C434 HydrophobicContact CB-CB 4.06Å |
| 416 | L | 90.3 | Very high | 90.6 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.7 | -43.5 | 174.6 | 172.6 | 74.9 | 0 | 0 | 0 | 111.6 | L264 L267 L412 M413 L414 A418 D419 H420 R469 | L264-L416 HydrophobicContact CD2-CB 4.17Å; L264-L416 HydrophobicContact CD2-CD1 4.48Å; L267-L416 HydrophobicContact CD2-CB 4.07Å; L267-L416 HydrophobicContact CD2-CD1 4.38Å; L267-L416 HydrophobicContact CD2-CD2 4.12Å; L267-L416 HydrophobicContact CD2-CG 4.42Å; L412-L416 PolarHBondContact O-N 2.96Å; M413-L416 WeakPolarHBondContact O-CB 3.47Å; M413-L416 PolarHBondContact O-N 3.02Å; M413-L416 VanDerWaalsContact O-N 3.16Å; L414-L416 VanDerWaalsContact C-N 3.31Å; L414-L416 PolarHBondContact O-N 3.33Å; L416-A418 VanDerWaalsContact C-N 3.28Å; L416-A418 PolarHBondContact O-N 2.91Å; L416-D419 PolarHBondContact O-N 2.95Å; L416-H420 PolarHBondContact O-ND1 3.49Å; L416-R469 HydrophobicContact CD1-CB 4.3Å; L416-R469 HydrophobicContact CD1-CG 4.34Å; L416-R469 HydrophobicContact CD2-CB 3.53Å; L416-R469 HydrophobicContact CD2-CG 4.44Å |
| 417 | F | 93.6 | Very high | 91 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.7 | -38 | 178.9 | -69.4 | -2.7 | 0 | 0 | 0 | 112 | M413 L414 D419 H420 C421 L430 L453 V456 L457 C463 P465 L470 | M413-F417 HydrophobicContact CE-CE2 4.23Å; M413-F417 HydrophobicContact CE-CZ 3.82Å; M413-F417 HydrophobicContact CG-CD1 4.18Å; M413-F417 HydrophobicContact CG-CE1 3.51Å; M413-F417 HydrophobicContact CG-CE2 3.97Å; M413-F417 HydrophobicContact CG-CZ 3.38Å; M413-F417 WeakPolarHBondContact O-CD1 3.49Å; M413-F417 VanDerWaalsContact O-CG 3.3Å; M413-F417 WeakPolarHBondContact O-CG 3.35Å; M413-F417 PolarHBondContact O-N 3.44Å; M413-F417 HydrophobicContact SD-CE1 4.1Å; M413-F417 HydrophobicContact SD-CZ 3.72Å; L414-F417 HydrophobicContact CD2-CD2 4.33Å; L414-F417 WeakPolarHBondContact O-CB 3.28Å; L414-F417 PolarHBondContact O-N 3.13Å; F417-D419 PolarHBondContact O-N 3.08Å; F417-H420 CarbonylContact O-C 3.53Å; F417-H420 PolarHBondContact O-N 3.13Å; F417-C421 PolarHBondContact O-N 3.06Å; F417-C421 PolarHBondContact O-SG 3.43Å; F417-L430 HydrophobicContact CB-CD1 3.83Å; F417-L430 HydrophobicContact CB-CD2 4.4Å; F417-L453 HydrophobicContact CE2-CD1 3.78Å; F417-L453 HydrophobicContact CZ-CD1 3.38Å; F417-V456 HydrophobicContact CD2-CG1 3.85Å; F417-V456 HydrophobicContact CE2-CG1 4.01Å; F417-L457 HydrophobicContact CE2-CD2 4.32Å; F417-L457 HydrophobicContact CZ-CD2 4.46Å; F417-C463 VanDerWaalsContact CB-SG 3.51Å; F417-P465 HydrophobicContact CD1-CB 3.78Å; F417-P465 HydrophobicContact CD1-CG 3.97Å; F417-P465 HydrophobicContact CE1-CB 3.75Å; F417-P465 HydrophobicContact CE1-CG 3.68Å; F417-P465 HydrophobicContact CZ-CG 4.41Å; F417-L470 HydrophobicContact CE1-CD2 3.77Å; F417-L470 HydrophobicContact CZ-CD2 3.92Å |
| 418 | A | 93.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.5 | -34.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L414 R415 L416 H420 K427 L430 L431 | L414-A418 PolarHBondContact O-N 3.48Å; R415-A418 WeakPolarHBondContact O-CB 3.36Å; R415-A418 PolarHBondContact O-N 3.03Å; L416-A418 VanDerWaalsContact C-N 3.28Å; L416-A418 PolarHBondContact O-N 2.91Å; A418-H420 VanDerWaalsContact C-N 3.3Å; A418-K427 HydrophobicContact CB-CG 4.33Å; A418-K427 VanDerWaalsContact O-CD 3.24Å; A418-K427 WeakPolarHBondContact O-CD 3.43Å; A418-K427 WeakPolarHBondContact O-CE 3.47Å; A418-K427 WeakPolarHBondContact O-CG 3.44Å; A418-L430 HydrophobicContact CB-CB 3.68Å; A418-L431 HydrophobicContact CB-CD2 3.7Å; A418-L431 HydrophobicContact CB-CG 3.85Å |
| 419 | D | 92.3 | Very high | 91.9 | Very high | 60 Ų | 60 | 40.1 Ų | 40.1 | 32% | 0.321 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -8.8 | 178.3 | -78.6 | -11.2 | 0 | 0 | 0 | 114.2 | L264 R415 L416 F417 K427 | L264-D419 HydrophobicContact CD1-CB 4.39Å; L264-D419 WeakPolarHBondContact CD1-OD2 3.3Å; R415-D419 IonicContact CZ-OD1 3.38Å; R415-D419 IonicContact CZ-OD2 2.94Å; R415-D419 VanDerWaalsContact CZ-OD2 3.3Å; R415-D419 IonicContact NH1-OD1 3.11Å; R415-D419 PolarHBondContact NH1-OD1 3.46Å; R415-D419 IonicContact NH1-OD2 2.88Å; R415-D419 PolarHBondContact NH1-OD2 3.33Å; R415-D419 IonicContact NH2-OD1 2.89Å; R415-D419 IonicContact NH2-OD2 3.09Å; R415-D419 PolarHBondContact NH2-OD2 3.22Å; L416-D419 PolarHBondContact O-N 2.95Å; F417-D419 PolarHBondContact O-N 3.08Å; D419-K427 WeakPolarHBondContact OD1-CE 3.15Å; D419-K427 IonicContact OD1-NZ 2.99Å; D419-K427 PolarHBondContact OD1-NZ 2.86Å |
| 420 | H | 93.4 | Very high | 92.1 | Very high | 64 Ų | 64 | 40.1 Ų | 40.1 | 30% | 0.296 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | 16.8 | 177.9 | -62.3 | 86.3 | 0 | 0 | 0 | 112.5 | L416 F417 A418 C463 I464 P466 | L416-H420 PolarHBondContact O-ND1 3.49Å; F417-H420 CarbonylContact O-C 3.53Å; F417-H420 PolarHBondContact O-N 3.13Å; A418-H420 VanDerWaalsContact C-N 3.3Å; H420-C463 VanDerWaalsContact O-CA 3.31Å; H420-C463 WeakPolarHBondContact O-CA 3.12Å; H420-I464 PolarHBondContact O-N 3.13Å; H420-P466 WeakPolarHBondContact CD2-CD 3.45Å; H420-P466 WeakPolarHBondContact NE2-CD 3.37Å |
| 421 | C | 94 | Very high | 92.4 | Very high | 16 Ų | 16 | 40 Ų | 40 | 11% | 0.108 | 18% | 0.183 | C | C | . | . | trans | -95.1 | 137.1 | 169.1 | -65.7 | 0 | 0 | 0 | 0 | 110.2 | F417 E426 K427 L430 C463 | F417-C421 PolarHBondContact O-N 3.06Å; F417-C421 PolarHBondContact O-SG 3.43Å; C421-E426 HydrophobicContact CB-CB 4.21Å; C421-K427 HydrophobicContact CB-CB 4.18Å; C421-L430 WeakPolarHBondContact SG-CD1 2.69Å; C421-C463 VanDerWaalsContact SG-CB 3.51Å | ||
| 422 | E | 92.9 | Very high | 92.6 | Very high | 169 Ų | 169 | 39.1 Ų | 39.1 | 79% | 0.79 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -83.2 | -35.1 | 171.9 | -57.6 | -177.3 | 163.8 | 0 | 0 | 111.6 | T462 | E422-T462 HydrophobicContact CB-CG2 4.4Å; E422-T462 PolarHBondContact N-OG1 3.08Å; E422-T462 VanDerWaalsContact N-OG1 3.07Å |
| 423 | S | 92.4 | Very high | 93 | Very high | 26 Ų | 26 | 39 Ų | 39 | 18% | 0.182 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -73.4 | 129.4 | 176.7 | 159.4 | 0 | 0 | 0 | 0 | 111 | E425 E426 K427 T462 | S423-E425 VanDerWaalsContact C-N 3.3Å; S423-E425 PolarHBondContact O-N 3.5Å; S423-E425 PolarHBondContact OG-N 2.95Å; S423-E425 PolarHBondContact OG-OE2 3.11Å; S423-E426 PolarHBondContact O-N 3.31Å; S423-E426 PolarHBondContact OG-N 3.17Å; S423-K427 WeakPolarHBondContact O-CB 3.36Å; S423-K427 PolarHBondContact O-N 2.88Å; S423-T462 PolarHBondContact N-OG1 2.7Å |
| 424 | Y | 92.4 | Very high | 93.1 | Very high | 147 Ų | 147 | 38.5 Ų | 38.5 | 58% | 0.576 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -62.1 | -38.7 | 174.2 | 176 | -97.4 | 0 | 0 | 0 | 111.7 | K427 R428 | Y424-K427 PolarHBondContact O-N 3.28Å; Y424-R428 VanDerWaalsContact O-CB 3.27Å; Y424-R428 WeakPolarHBondContact O-CB 3.16Å; Y424-R428 PolarHBondContact O-N 2.89Å |
| 425 | E | 91.2 | Very high | 93.1 | Very high | 129 Ų | 129 | 38.5 Ų | 38.5 | 60% | 0.603 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -64.6 | -45.5 | 179.9 | -58.9 | 80.3 | -172.9 | 0 | 0 | 111.9 | S423 R428 R429 | S423-E425 VanDerWaalsContact C-N 3.3Å; S423-E425 PolarHBondContact O-N 3.5Å; S423-E425 PolarHBondContact OG-N 2.95Å; S423-E425 PolarHBondContact OG-OE2 3.11Å; E425-R428 PolarHBondContact O-N 2.86Å; E425-R429 WeakPolarHBondContact O-CB 3.27Å; E425-R429 PolarHBondContact O-N 2.97Å |
| 426 | E | 93.7 | Very high | 93 | Very high | 31 Ų | 31 | 39.7 Ų | 39.7 | 15% | 0.145 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.7 | -47.6 | 176 | -70.1 | -171.2 | 173.3 | 0 | 0 | 111 | C421 S423 R428 R429 L430 F460 R461 T462 | C421-E426 HydrophobicContact CB-CB 4.21Å; S423-E426 PolarHBondContact O-N 3.31Å; S423-E426 PolarHBondContact OG-N 3.17Å; E426-R428 PolarHBondContact O-N 2.88Å; E426-R429 PolarHBondContact O-N 3.11Å; E426-L430 PolarHBondContact O-N 3.49Å; E426-F460 HydrophobicContact CB-CD1 3.83Å; E426-F460 HydrophobicContact CG-CD1 3.97Å; E426-R461 PolarHBondContact OE1-N 2.97Å; E426-R461 PolarHBondContact OE2-N 3.14Å; E426-T462 WeakPolarHBondContact OE2-CA 3.26Å; E426-T462 WeakPolarHBondContact OE2-CB 3.36Å; E426-T462 PolarHBondContact OE2-N 3.14Å; E426-T462 PolarHBondContact OE2-OG1 3.01Å |
| 427 | K | 94.5 | Very high | 92.9 | Very high | 67 Ų | 67 | 42.1 Ų | 42.1 | 29% | 0.291 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -55.8 | -52 | 174.9 | 175.3 | 162.7 | -166.1 | 162.2 | 0 | 111.3 | A418 D419 C421 S423 Y424 R429 L430 L431 | A418-K427 HydrophobicContact CB-CG 4.33Å; A418-K427 VanDerWaalsContact O-CD 3.24Å; A418-K427 WeakPolarHBondContact O-CD 3.43Å; A418-K427 WeakPolarHBondContact O-CE 3.47Å; A418-K427 WeakPolarHBondContact O-CG 3.44Å; D419-K427 WeakPolarHBondContact OD1-CE 3.15Å; D419-K427 IonicContact OD1-NZ 2.99Å; D419-K427 PolarHBondContact OD1-NZ 2.86Å; C421-K427 HydrophobicContact CB-CB 4.18Å; S423-K427 WeakPolarHBondContact O-CB 3.36Å; S423-K427 PolarHBondContact O-N 2.88Å; Y424-K427 PolarHBondContact O-N 3.28Å; K427-R429 VanDerWaalsContact C-N 3.29Å; K427-R429 PolarHBondContact O-N 3.34Å; K427-L430 PolarHBondContact O-N 2.97Å; K427-L431 HydrophobicContact CG-CD1 3.98Å; K427-L431 HydrophobicContact CG-CG 4.41Å; K427-L431 VanDerWaalsContact O-CG 3.28Å; K427-L431 WeakPolarHBondContact O-CG 3.21Å; K427-L431 PolarHBondContact O-N 2.71Å |
| 428 | R | 93.8 | Very high | 92.8 | Very high | 38 Ų | 38 | 42.2 Ų | 42.2 | 14% | 0.143 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55 | -46 | 179.2 | -170.6 | -161.1 | 78 | 74.7 | 16.2 | 111.1 | R254 V256 Y424 E425 E426 L431 E432 | R254-R428 PolarHBondContact O-NH1 2.93Å; V256-R428 HydrophobicContact CG2-CB 4.4Å; V256-R428 HydrophobicContact CG2-CG 3.73Å; Y424-R428 VanDerWaalsContact O-CB 3.27Å; Y424-R428 WeakPolarHBondContact O-CB 3.16Å; Y424-R428 PolarHBondContact O-N 2.89Å; E425-R428 PolarHBondContact O-N 2.86Å; E426-R428 PolarHBondContact O-N 2.88Å; R428-L431 PolarHBondContact O-N 2.78Å; R428-E432 IonicContact CZ-OE2 3.58Å; R428-E432 IonicContact NH1-OE2 3.27Å; R428-E432 PolarHBondContact NH1-OE2 2.87Å; R428-E432 IonicContact NH2-OE2 3.07Å; R428-E432 PolarHBondContact NH2-OE2 3.3Å; R428-E432 PolarHBondContact O-N 2.8Å |
| 429 | R | 94.7 | Very high | 92.6 | Very high | 5 Ų | 5 | 43.6 Ų | 43.6 | 2% | 0.019 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.1 | -41.3 | -178.3 | -179.3 | 63.5 | -169.6 | 142.9 | -1.5 | 112.5 | V247 Y249 E425 E426 K427 E432 L433 E441 F460 | V247-R429 PolarHBondContact O-NE 2.72Å; Y249-R429 PolarHBondContact O-NE 3.42Å; Y249-R429 PolarHBondContact O-NH2 2.82Å; E425-R429 WeakPolarHBondContact O-CB 3.27Å; E425-R429 PolarHBondContact O-N 2.97Å; E426-R429 PolarHBondContact O-N 3.11Å; K427-R429 VanDerWaalsContact C-N 3.29Å; K427-R429 PolarHBondContact O-N 3.34Å; R429-E432 IonicContact NH1-OE1 3.84Å; R429-E432 PolarHBondContact NH1-OE1 2.9Å; R429-E432 IonicContact NH1-OE2 3.42Å; R429-E432 PolarHBondContact NH1-OE2 3.18Å; R429-E432 WeakPolarHBondContact O-CB 2.93Å; R429-E432 PolarHBondContact O-N 3.5Å; R429-L433 HydrophobicContact CG-CD1 4.29Å; R429-L433 WeakPolarHBondContact O-CG 3.34Å; R429-L433 PolarHBondContact O-N 2.85Å; R429-E441 IonicContact CZ-OE2 3.67Å; R429-E441 IonicContact NH1-OE2 2.78Å; R429-E441 PolarHBondContact NH1-OE2 2.92Å; R429-E441 IonicContact NH2-OE2 3.04Å; R429-E441 PolarHBondContact NH2-OE2 3.01Å; R429-F460 HydrophobicContact CB-CE1 3.98Å; R429-F460 HydrophobicContact CG-CE1 3.8Å; R429-F460 HydrophobicContact CG-CZ 3.94Å |
| 430 | L | 95 | Very high | 92.4 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.7 | -38.3 | 175.4 | -73.5 | 166 | 0 | 0 | 0 | 112 | L414 F417 A418 C421 E426 K427 E432 L433 C434 V456 F460 | L414-L430 HydrophobicContact CB-CD2 4.23Å; L414-L430 HydrophobicContact CD2-CD2 3.9Å; F417-L430 HydrophobicContact CB-CD1 3.83Å; F417-L430 HydrophobicContact CB-CD2 4.4Å; A418-L430 HydrophobicContact CB-CB 3.68Å; C421-L430 WeakPolarHBondContact SG-CD1 2.69Å; E426-L430 PolarHBondContact O-N 3.49Å; K427-L430 PolarHBondContact O-N 2.97Å; L430-E432 VanDerWaalsContact C-N 3.31Å; L430-E432 PolarHBondContact O-N 3.03Å; L430-L433 PolarHBondContact O-N 2.71Å; L430-C434 PolarHBondContact O-N 3Å; L430-C434 PolarHBondContact O-SG 3.37Å; L430-V456 HydrophobicContact CD2-CG1 4.49Å; L430-F460 HydrophobicContact CD1-CB 4.37Å; L430-F460 HydrophobicContact CD1-CD1 4.04Å; L430-F460 HydrophobicContact CD1-CD2 4.31Å; L430-F460 HydrophobicContact CD1-CE1 4.44Å; L430-F460 HydrophobicContact CD1-CG 3.97Å; L430-F460 HydrophobicContact CD2-CD1 4.4Å; L430-F460 HydrophobicContact CD2-CD2 3.75Å; L430-F460 HydrophobicContact CD2-CE1 4.19Å; L430-F460 HydrophobicContact CD2-CE2 3.52Å; L430-F460 HydrophobicContact CD2-CG 4.21Å; L430-F460 HydrophobicContact CD2-CZ 3.75Å; L430-F460 HydrophobicContact CG-CD1 3.94Å; L430-F460 HydrophobicContact CG-CD2 4.16Å; L430-F460 HydrophobicContact CG-CE1 3.84Å; L430-F460 HydrophobicContact CG-CE2 4.08Å; L430-F460 HydrophobicContact CG-CG 4.11Å; L430-F460 HydrophobicContact CG-CZ 3.92Å |
| 431 | L | 94.2 | Very high | 92.4 | Very high | 14 Ų | 14 | 46.6 Ų | 46.6 | 7% | 0.073 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62 | -39.7 | 173.6 | -66.6 | 172.4 | 0 | 0 | 0 | 111.7 | V256 L259 V261 A418 K427 R428 C434 S435 | V256-L431 HydrophobicContact CG1-CD1 3.81Å; L259-L431 HydrophobicContact CD1-CB 4.33Å; V261-L431 HydrophobicContact CG1-CD2 3.76Å; V261-L431 HydrophobicContact CG2-CB 4.16Å; V261-L431 HydrophobicContact CG2-CD2 4.44Å; A418-L431 HydrophobicContact CB-CD2 3.7Å; A418-L431 HydrophobicContact CB-CG 3.85Å; K427-L431 HydrophobicContact CG-CD1 3.98Å; K427-L431 HydrophobicContact CG-CG 4.41Å; K427-L431 VanDerWaalsContact O-CG 3.28Å; K427-L431 WeakPolarHBondContact O-CG 3.21Å; K427-L431 PolarHBondContact O-N 2.71Å; R428-L431 PolarHBondContact O-N 2.78Å; L431-C434 VanDerWaalsContact CA-SG 3.54Å; L431-C434 PolarHBondContact O-SG 2.79Å; L431-S435 WeakPolarHBondContact O-CB 3.28Å; L431-S435 PolarHBondContact O-N 3.37Å |
| 432 | E | 93.6 | Very high | 92.3 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.019 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63 | -52.2 | 174.8 | -171.4 | -179.1 | 170.2 | 0 | 0 | 111.3 | S250 T252 L259 R428 R429 L430 C434 S435 G438 | S250-E432 WeakPolarHBondContact CB-OE1 3.29Å; S250-E432 PolarHBondContact OG-OE1 3.05Å; S250-E432 PolarHBondContact OG-OE2 3.39Å; T252-E432 VanDerWaalsContact O-OE1 3.09Å; L259-E432 HydrophobicContact CD1-CB 4.04Å; L259-E432 HydrophobicContact CD2-CG 4.3Å; R428-E432 IonicContact CZ-OE2 3.58Å; R428-E432 IonicContact NH1-OE2 3.27Å; R428-E432 PolarHBondContact NH1-OE2 2.87Å; R428-E432 IonicContact NH2-OE2 3.07Å; R428-E432 PolarHBondContact NH2-OE2 3.3Å; R428-E432 PolarHBondContact O-N 2.8Å; R429-E432 IonicContact NH1-OE1 3.84Å; R429-E432 PolarHBondContact NH1-OE1 2.9Å; R429-E432 IonicContact NH1-OE2 3.42Å; R429-E432 PolarHBondContact NH1-OE2 3.18Å; R429-E432 WeakPolarHBondContact O-CB 2.93Å; R429-E432 PolarHBondContact O-N 3.5Å; L430-E432 VanDerWaalsContact C-N 3.31Å; L430-E432 PolarHBondContact O-N 3.03Å; E432-C434 VanDerWaalsContact C-N 3.28Å; E432-C434 PolarHBondContact O-N 2.98Å; E432-S435 WeakPolarHBondContact O-CB 3.12Å; E432-S435 PolarHBondContact O-N 3.07Å; E432-S435 PolarHBondContact O-OG 3.02Å; E432-G438 WeakPolarHBondContact O-CA 3.38Å |
| 433 | L | 93.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60 | -33.9 | 179.6 | -73.9 | 166.5 | 0 | 0 | 0 | 113.6 | V247 L414 R429 L430 E441 I446 F460 | V247-L433 HydrophobicContact CG2-CD1 3.58Å; L414-L433 HydrophobicContact CD1-CB 3.98Å; R429-L433 HydrophobicContact CG-CD1 4.29Å; R429-L433 WeakPolarHBondContact O-CG 3.34Å; R429-L433 PolarHBondContact O-N 2.85Å; L430-L433 PolarHBondContact O-N 2.71Å; L433-E441 HydrophobicContact CD2-CB 4.25Å; L433-I446 HydrophobicContact CD1-CD1 4.39Å; L433-F460 HydrophobicContact CD1-CZ 4.14Å |
| 434 | C | 92.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -86.9 | -7.2 | 175.7 | 67.5 | 0 | 0 | 0 | 0 | 114.1 | R411 L414 R415 L430 L431 E432 | R411-C434 HydrophobicContact CB-CB 4.26Å; R411-C434 PolarHBondContact NE-O 3.39Å; R411-C434 PolarHBondContact NH2-O 2.8Å; R411-C434 WeakPolarHBondContact O-CB 3.29Å; L414-C434 HydrophobicContact CB-CB 4.16Å; R415-C434 HydrophobicContact CB-CB 4.06Å; L430-C434 PolarHBondContact O-N 3Å; L430-C434 PolarHBondContact O-SG 3.37Å; L431-C434 VanDerWaalsContact CA-SG 3.54Å; L431-C434 PolarHBondContact O-SG 2.79Å; E432-C434 VanDerWaalsContact C-N 3.28Å; E432-C434 PolarHBondContact O-N 2.98Å |
| 435 | S | 92 | Very high | 92.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -76.9 | 164.3 | 177.6 | 75 | 0 | 0 | 0 | 0 | 113.1 | K260 R411 L431 E432 E437 G438 | K260-S435 VanDerWaalsContact O-CA 3.31Å; K260-S435 WeakPolarHBondContact O-CA 3.47Å; R411-S435 PolarHBondContact NH2-O 2.65Å; L431-S435 WeakPolarHBondContact O-CB 3.28Å; L431-S435 PolarHBondContact O-N 3.37Å; E432-S435 WeakPolarHBondContact O-CB 3.12Å; E432-S435 PolarHBondContact O-N 3.07Å; E432-S435 PolarHBondContact O-OG 3.02Å; S435-E437 PolarHBondContact O-N 2.69Å; S435-E437 PolarHBondContact OG-N 3.12Å; S435-G438 PolarHBondContact O-N 3.22Å; S435-G438 PolarHBondContact OG-N 3.05Å; S435-G438 VanDerWaalsContact OG-N 3.11Å |
| 436 | S | 89 | Confident | 92.2 | Very high | 59 Ų | 59 | 29.9 Ų | 29.9 | 41% | 0.413 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -62.9 | -33.2 | 175.3 | 74.8 | 0 | 0 | 0 | 0 | 112.9 | K260 Q439 | K260-S436 WeakPolarHBondContact CB-OG 3.38Å; K260-S436 PolarHBondContact O-N 3.3Å; K260-S436 VanDerWaalsContact O-N 3.09Å; S436-Q439 WeakPolarHBondContact O-CB 3.28Å; S436-Q439 PolarHBondContact O-N 3.11Å |
| 437 | E | 89.6 | Confident | 91.9 | Very high | 56 Ų | 56 | 31.9 Ų | 31.9 | 26% | 0.262 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -35 | 178.8 | -67.7 | 68 | -159.2 | 0 | 0 | 111.4 | L259 K260 S435 Q439 | L259-E437 HydrophobicContact CD2-CB 4.29Å; K260-E437 PolarHBondContact N-OE2 3.1Å; S435-E437 PolarHBondContact O-N 2.69Å; S435-E437 PolarHBondContact OG-N 3.12Å; E437-Q439 VanDerWaalsContact C-N 3.34Å; E437-Q439 PolarHBondContact O-N 2.82Å |
| 438 | G | 90.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 1.7 | 178 | 0 | 0 | 0 | 0 | 0 | 115.3 | E432 S435 Q440 E441 Y442 | E432-G438 WeakPolarHBondContact O-CA 3.38Å; S435-G438 PolarHBondContact O-N 3.22Å; S435-G438 PolarHBondContact OG-N 3.05Å; S435-G438 VanDerWaalsContact OG-N 3.11Å; G438-Q440 VanDerWaalsContact C-N 3.27Å; G438-Q440 PolarHBondContact O-N 3.3Å; G438-E441 PolarHBondContact O-N 2.75Å; G438-E441 VanDerWaalsContact O-N 3.09Å; G438-Y442 WeakPolarHBondContact O-CB 3.27Å; G438-Y442 PolarHBondContact O-N 3.41Å |
| 439 | Q | 88.8 | Confident | 91.4 | Very high | 30 Ų | 30 | 34.7 Ų | 34.7 | 14% | 0.14 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -53.5 | -41.2 | -176.8 | 178.7 | 69 | 13.4 | 0 | 0 | 112.9 | N115 N117 S436 E437 Q443 | N115-Q439 PolarHBondContact O-NE2 3.35Å; N117-Q439 PolarHBondContact OD1-NE2 3.14Å; S436-Q439 WeakPolarHBondContact O-CB 3.28Å; S436-Q439 PolarHBondContact O-N 3.11Å; E437-Q439 VanDerWaalsContact C-N 3.34Å; E437-Q439 PolarHBondContact O-N 2.82Å; Q439-Q443 VanDerWaalsContact O-CG 3.29Å; Q439-Q443 WeakPolarHBondContact O-CG 3.43Å; Q439-Q443 PolarHBondContact O-N 3.16Å |
| 440 | Q | 89.6 | Confident | 91.1 | Very high | 168 Ų | 168 | 36.1 Ų | 36.1 | 79% | 0.785 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -69 | -41 | 179.9 | -67.2 | -175.9 | 0.5 | 0 | 0 | 112 | G438 Q443 K444 | G438-Q440 VanDerWaalsContact C-N 3.27Å; G438-Q440 PolarHBondContact O-N 3.3Å; Q440-Q443 PolarHBondContact O-N 2.81Å; Q440-K444 WeakPolarHBondContact O-CB 3.27Å; Q440-K444 PolarHBondContact O-N 2.95Å |
| 441 | E | 92.4 | Very high | 91 | Very high | 18 Ų | 18 | 36.1 Ų | 36.1 | 8% | 0.084 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.4 | -37.7 | 176.7 | -70.8 | -165.6 | 172.8 | 0 | 0 | 111.9 | D251 R429 L433 G438 Q443 K444 F445 | D251-E441 PolarHBondContact N-OE1 3.23Å; R429-E441 IonicContact CZ-OE2 3.67Å; R429-E441 IonicContact NH1-OE2 2.78Å; R429-E441 PolarHBondContact NH1-OE2 2.92Å; R429-E441 IonicContact NH2-OE2 3.04Å; R429-E441 PolarHBondContact NH2-OE2 3.01Å; L433-E441 HydrophobicContact CD2-CB 4.25Å; G438-E441 PolarHBondContact O-N 2.75Å; G438-E441 VanDerWaalsContact O-N 3.09Å; E441-Q443 VanDerWaalsContact C-N 3.34Å; E441-Q443 PolarHBondContact O-N 3.41Å; E441-K444 PolarHBondContact O-N 3.4Å; E441-F445 HydrophobicContact CB-CD2 3.87Å; E441-F445 HydrophobicContact CB-CE2 3.99Å; E441-F445 HydrophobicContact CG-CD2 4.39Å; E441-F445 HydrophobicContact CG-CE2 3.99Å; E441-F445 WeakPolarHBondContact O-CB 3.16Å; E441-F445 VanDerWaalsContact O-CD2 3.29Å; E441-F445 WeakPolarHBondContact O-CD2 3.41Å; E441-F445 PolarHBondContact O-N 2.92Å |
| 442 | Y | 93.1 | Very high | 90.9 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 1% | 0.012 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.1 | -47.3 | 170.1 | 170.4 | -98.3 | 0 | 0 | 0 | 111.3 | N115 P409 R411 L414 G438 K444 I446 R447 | N115-Y442 HydrophobicContact CB-CE1 4.15Å; P409-Y442 WeakPolarHBondContact O-CE2 3.32Å; P409-Y442 PolarHBondContact O-OH 3.13Å; R411-Y442 HydrophobicContact CG-CD1 3.86Å; R411-Y442 HydrophobicContact CG-CD2 3.66Å; R411-Y442 HydrophobicContact CG-CE1 3.86Å; R411-Y442 HydrophobicContact CG-CE2 3.69Å; R411-Y442 HydrophobicContact CG-CG 3.77Å; L414-Y442 HydrophobicContact CD1-CD2 3.77Å; L414-Y442 HydrophobicContact CD1-CE2 3.94Å; G438-Y442 WeakPolarHBondContact O-CB 3.27Å; G438-Y442 PolarHBondContact O-N 3.41Å; Y442-K444 PolarHBondContact O-N 3Å; Y442-I446 HydrophobicContact CD2-CB 4.19Å; Y442-I446 HydrophobicContact CD2-CD1 3.86Å; Y442-I446 HydrophobicContact CD2-CG2 4.48Å; Y442-I446 HydrophobicContact CE2-CB 4.21Å; Y442-I446 HydrophobicContact CE2-CD1 4.18Å; Y442-I446 HydrophobicContact CE2-CG2 4.01Å; Y442-I446 WeakPolarHBondContact O-CB 3.5Å; Y442-I446 PolarHBondContact O-N 3.19Å; Y442-R447 HydrophobicContact CD1-CG 4.18Å; Y442-R447 HydrophobicContact CE1-CG 3.54Å; Y442-R447 PolarHBondContact O-N 2.82Å |
| 443 | Q | 90.1 | Very high | 90.7 | Very high | 27 Ų | 27 | 35.5 Ų | 35.5 | 13% | 0.126 | 18% | 0.176 | C | C | . | . | I | π-helix | trans | -63 | -43.5 | 177.3 | -68.9 | -69.7 | 28.3 | 0 | 0 | 111.8 | N115 N117 Q439 Q440 E441 R447 Q448 | N115-Q443 PolarHBondContact O-NE2 3.41Å; N117-Q443 PolarHBondContact OD1-NE2 3.22Å; Q439-Q443 VanDerWaalsContact O-CG 3.29Å; Q439-Q443 WeakPolarHBondContact O-CG 3.43Å; Q439-Q443 PolarHBondContact O-N 3.16Å; Q440-Q443 PolarHBondContact O-N 2.81Å; E441-Q443 VanDerWaalsContact C-N 3.34Å; E441-Q443 PolarHBondContact O-N 3.41Å; Q443-R447 PolarHBondContact O-N 2.91Å; Q443-R447 VanDerWaalsContact OE1-CB 3.3Å; Q443-R447 VanDerWaalsContact OE1-CG 3.27Å; Q443-Q448 WeakPolarHBondContact O-CB 3.38Å; Q443-Q448 VanDerWaalsContact O-CG 3.25Å; Q443-Q448 WeakPolarHBondContact O-CG 3.41Å; Q443-Q448 PolarHBondContact O-N 3.42Å |
| 444 | K | 90.5 | Very high | 90.6 | Very high | 88 Ų | 88 | 35.6 Ų | 35.6 | 38% | 0.383 | 18% | 0.176 | S | C | . | . | I | π-helix | trans | -66.3 | -58.9 | 179.9 | 177.5 | -176.8 | 171.2 | -172.1 | 0 | 112.2 | D251 Q440 E441 Y442 S449 | D251-K444 IonicContact OD2-NZ 2.83Å; D251-K444 PolarHBondContact OD2-NZ 2.86Å; Q440-K444 WeakPolarHBondContact O-CB 3.27Å; Q440-K444 PolarHBondContact O-N 2.95Å; E441-K444 PolarHBondContact O-N 3.4Å; Y442-K444 PolarHBondContact O-N 3Å; K444-S449 PolarHBondContact O-OG 2.75Å |
| 445 | F | 92.3 | Very high | 90.6 | Very high | 19 Ų | 19 | 35.6 Ų | 35.6 | 8% | 0.083 | 18% | 0.176 | C | C | . | . | I | π-helix | trans | -83.9 | -28.2 | -168.4 | -63.7 | -58.9 | 0 | 0 | 0 | 113.8 | E441 S449 L451 | E441-F445 HydrophobicContact CB-CD2 3.87Å; E441-F445 HydrophobicContact CB-CE2 3.99Å; E441-F445 HydrophobicContact CG-CD2 4.39Å; E441-F445 HydrophobicContact CG-CE2 3.99Å; E441-F445 WeakPolarHBondContact O-CB 3.16Å; E441-F445 VanDerWaalsContact O-CD2 3.29Å; E441-F445 WeakPolarHBondContact O-CD2 3.41Å; E441-F445 PolarHBondContact O-N 2.92Å; F445-S449 WeakPolarHBondContact O-CB 3.29Å; F445-L451 WeakPolarHBondContact O-CD1 3.45Å; F445-L451 WeakPolarHBondContact O-CG 3.39Å |
| 446 | I | 92.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | I | π-helix | trans | -104.9 | -53.4 | -175.6 | -64.9 | 176.7 | 0 | 0 | 0 | 110.8 | V247 C408 P409 L414 L433 Y442 A450 L451 | V247-I446 HydrophobicContact CG2-CD1 3.98Å; V247-I446 HydrophobicContact CG2-CG1 3.91Å; C408-I446 HydrophobicContact CB-CG2 4.02Å; C408-I446 PolarHBondContact SG-O 3.3Å; P409-I446 HydrophobicContact CG-CG2 4.1Å; L414-I446 HydrophobicContact CD1-CD1 3.39Å; L414-I446 HydrophobicContact CD2-CD1 4.15Å; L414-I446 HydrophobicContact CG-CD1 4.37Å; L433-I446 HydrophobicContact CD1-CD1 4.39Å; Y442-I446 HydrophobicContact CD2-CB 4.19Å; Y442-I446 HydrophobicContact CD2-CD1 3.86Å; Y442-I446 HydrophobicContact CD2-CG2 4.48Å; Y442-I446 HydrophobicContact CE2-CB 4.21Å; Y442-I446 HydrophobicContact CE2-CD1 4.18Å; Y442-I446 HydrophobicContact CE2-CG2 4.01Å; Y442-I446 WeakPolarHBondContact O-CB 3.5Å; Y442-I446 PolarHBondContact O-N 3.19Å; I446-A450 WeakPolarHBondContact O-CA 3.4Å; I446-A450 PolarHBondContact O-N 2.92Å; I446-A450 VanDerWaalsContact O-N 3.13Å; I446-L451 HydrophobicContact CG1-CD1 4.4Å; I446-L451 PolarHBondContact O-N 3.49Å |
| 447 | R | 89 | Confident | 90.9 | Very high | 73 Ų | 73 | 32.8 Ų | 32.8 | 28% | 0.275 | 16% | 0.157 | S | C | . | . | I | π-helix | trans | -77.1 | -55.1 | -172.6 | -67.4 | -83.2 | -63.8 | 155.5 | 6.3 | 112.5 | Y116 Y442 Q443 S449 A450 | Y116-R447 PolarHBondContact OH-NH2 2.87Å; Y442-R447 HydrophobicContact CD1-CG 4.18Å; Y442-R447 HydrophobicContact CE1-CG 3.54Å; Y442-R447 PolarHBondContact O-N 2.82Å; Q443-R447 PolarHBondContact O-N 2.91Å; Q443-R447 VanDerWaalsContact OE1-CB 3.3Å; Q443-R447 VanDerWaalsContact OE1-CG 3.27Å; R447-S449 VanDerWaalsContact C-N 3.35Å; R447-S449 PolarHBondContact O-N 3.44Å; R447-A450 PolarHBondContact O-N 3.42Å; R447-A450 VanDerWaalsContact O-N 3.09Å |
| 448 | Q | 86.9 | Confident | 90.9 | Very high | 150 Ų | 150 | 31.8 Ų | 31.8 | 70% | 0.701 | 15% | 0.152 | S | C | * | . | I | π-helix | trans | -63.9 | -40.2 | 179.3 | -72.1 | 171.5 | 2.8 | 0 | 0 | 111.6 | Q443 A450 | Q443-Q448 WeakPolarHBondContact O-CB 3.38Å; Q443-Q448 VanDerWaalsContact O-CG 3.25Å; Q443-Q448 WeakPolarHBondContact O-CG 3.41Å; Q443-Q448 PolarHBondContact O-N 3.42Å; Q448-A450 PolarHBondContact O-N 3.49Å |
| 449 | S | 89.9 | Confident | 91 | Very high | 13 Ų | 13 | 32.1 Ų | 32.1 | 9% | 0.091 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 5 | 174.9 | -53.2 | 0 | 0 | 0 | 0 | 114.1 | K444 F445 R447 L451 R516 | K444-S449 PolarHBondContact O-OG 2.75Å; F445-S449 WeakPolarHBondContact O-CB 3.29Å; R447-S449 VanDerWaalsContact C-N 3.35Å; R447-S449 PolarHBondContact O-N 3.44Å; S449-L451 PolarHBondContact O-N 2.94Å; S449-L451 VanDerWaalsContact O-N 3.09Å; S449-R516 PolarHBondContact O-NH1 3.46Å |
| 450 | A | 89.1 | Confident | 91.3 | Very high | 36 Ų | 36 | 30.8 Ų | 30.8 | 30% | 0.298 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.8 | 43.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | I446 R447 Q448 L510 R520 | I446-A450 WeakPolarHBondContact O-CA 3.4Å; I446-A450 PolarHBondContact O-N 2.92Å; I446-A450 VanDerWaalsContact O-N 3.13Å; R447-A450 PolarHBondContact O-N 3.42Å; R447-A450 VanDerWaalsContact O-N 3.09Å; Q448-A450 PolarHBondContact O-N 3.49Å; A450-L510 HydrophobicContact CB-CD2 3.89Å; A450-R520 PolarHBondContact O-NH2 3.27Å |
| 451 | L | 92.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -70.6 | 131.1 | 176.5 | -63.3 | -169.4 | 0 | 0 | 0 | 109.4 | V247 C408 P409 F445 I446 S449 D455 G515 R516 | V247-L451 HydrophobicContact CB-CD1 3.87Å; V247-L451 HydrophobicContact CG1-CD1 4.28Å; V247-L451 HydrophobicContact CG2-CD1 4.4Å; C408-L451 VanDerWaalsContact CA-O 3.24Å; C408-L451 WeakPolarHBondContact CA-O 3.47Å; C408-L451 PolarHBondContact SG-O 2.84Å; P409-L451 WeakPolarHBondContact CD-O 3.44Å; F445-L451 WeakPolarHBondContact O-CD1 3.45Å; F445-L451 WeakPolarHBondContact O-CG 3.39Å; I446-L451 HydrophobicContact CG1-CD1 4.4Å; I446-L451 PolarHBondContact O-N 3.49Å; S449-L451 PolarHBondContact O-N 2.94Å; S449-L451 VanDerWaalsContact O-N 3.09Å; L451-D455 HydrophobicContact CB-CB 4.13Å; L451-D455 HydrophobicContact CD2-CB 4.03Å; L451-G515 VanDerWaalsContact CD2-C 3.47Å; L451-R516 HydrophobicContact CD2-CB 4.35Å; L451-R516 HydrophobicContact CD2-CG 3.55Å | ||
| 452 | S | 91.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.007 | 15% | 0.151 | C | C | . | . | trans | -87 | 171.7 | 177.5 | 63 | 0 | 0 | 0 | 0 | 111.9 | R406 L454 D455 V456 | R406-S452 WeakPolarHBondContact O-CB 3.16Å; S452-L454 PolarHBondContact O-N 3.39Å; S452-L454 PolarHBondContact OG-N 3.2Å; S452-D455 WeakPolarHBondContact CB-OD2 3.34Å; S452-D455 PolarHBondContact N-OD2 3.38Å; S452-D455 PolarHBondContact O-N 3.07Å; S452-D455 VanDerWaalsContact O-N 3.16Å; S452-D455 PolarHBondContact OG-N 3Å; S452-D455 PolarHBondContact OG-OD2 3.42Å; S452-V456 PolarHBondContact O-N 2.99Å | ||
| 453 | L | 90.2 | Very high | 91.3 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -48.1 | -42.2 | 165.4 | 172.2 | 62.7 | 0 | 0 | 0 | 111.9 | L356 Q407 M413 F417 V456 L457 L470 | L356-L453 HydrophobicContact CD1-CD2 4.23Å; L356-L453 HydrophobicContact CD2-CD2 4.2Å; Q407-L453 PolarHBondContact O-N 3.48Å; M413-L453 HydrophobicContact CE-CD1 3.83Å; F417-L453 HydrophobicContact CE2-CD1 3.78Å; F417-L453 HydrophobicContact CZ-CD1 3.38Å; L453-V456 PolarHBondContact O-N 2.87Å; L453-L457 HydrophobicContact CD1-CD1 3.78Å; L453-L457 HydrophobicContact CD1-CG 3.97Å; L453-L457 HydrophobicContact CG-CD1 3.99Å; L453-L457 HydrophobicContact CG-CG 4.48Å; L453-L457 WeakPolarHBondContact O-CG 3.46Å; L453-L457 PolarHBondContact O-N 3.44Å; L453-L470 HydrophobicContact CD1-CD2 4.13Å; L453-L470 HydrophobicContact CD2-CD2 4.38Å |
| 454 | L | 91.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.8 | -42.1 | -177.4 | -74.4 | 66.6 | 0 | 0 | 0 | 111.2 | E352 W355 I405 S452 V456 L457 H458 F517 F518 | E352-L454 HydrophobicContact CB-CD2 3.79Å; E352-L454 HydrophobicContact CG-CD2 3.97Å; W355-L454 HydrophobicContact CE3-CB 4.04Å; W355-L454 HydrophobicContact CE3-CD2 3.85Å; W355-L454 HydrophobicContact CE3-CG 3.63Å; W355-L454 HydrophobicContact CH2-CB 4.41Å; W355-L454 WeakPolarHBondContact CH2-O 3.25Å; W355-L454 HydrophobicContact CZ3-CB 3.68Å; W355-L454 HydrophobicContact CZ3-CD2 4.36Å; W355-L454 HydrophobicContact CZ3-CG 3.67Å; I405-L454 HydrophobicContact CB-CD1 3.91Å; I405-L454 HydrophobicContact CD1-CD1 4.19Å; I405-L454 HydrophobicContact CG1-CD1 4.07Å; I405-L454 VanDerWaalsContact O-CD1 3.25Å; I405-L454 WeakPolarHBondContact O-CD1 3.5Å; S452-L454 PolarHBondContact O-N 3.39Å; S452-L454 PolarHBondContact OG-N 3.2Å; L454-V456 VanDerWaalsContact C-N 3.32Å; L454-V456 PolarHBondContact O-N 2.92Å; L454-L457 PolarHBondContact O-N 3.37Å; L454-H458 VanDerWaalsContact O-CB 3.3Å; L454-H458 WeakPolarHBondContact O-CB 3.46Å; L454-H458 PolarHBondContact O-N 3.39Å; L454-F517 HydrophobicContact CB-CE1 3.89Å; L454-F517 HydrophobicContact CB-CZ 4.17Å; L454-F517 WeakPolarHBondContact O-CE1 3.5Å; L454-F518 HydrophobicContact CB-CE1 4.41Å; L454-F518 HydrophobicContact CD2-CE1 4.29Å; L454-F518 HydrophobicContact CD2-CZ 4.13Å |
| 455 | D | 93.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.6 | -39.8 | -179.9 | -54.8 | -69.3 | 0 | 0 | 0 | 111.3 | L451 S452 H458 A459 R516 F517 R520 | L451-D455 HydrophobicContact CB-CB 4.13Å; L451-D455 HydrophobicContact CD2-CB 4.03Å; S452-D455 WeakPolarHBondContact CB-OD2 3.34Å; S452-D455 PolarHBondContact N-OD2 3.38Å; S452-D455 PolarHBondContact O-N 3.07Å; S452-D455 VanDerWaalsContact O-N 3.16Å; S452-D455 PolarHBondContact OG-N 3Å; S452-D455 PolarHBondContact OG-OD2 3.42Å; D455-H458 PolarHBondContact O-N 3.25Å; D455-A459 WeakPolarHBondContact O-CB 3.48Å; D455-A459 PolarHBondContact O-N 2.98Å; D455-R516 WeakPolarHBondContact OD1-CA 3.49Å; D455-F517 HydrophobicContact CB-CD1 4.13Å; D455-F517 HydrophobicContact CB-CE1 4.45Å; D455-F517 WeakPolarHBondContact OD1-CD1 3.39Å; D455-F517 PolarHBondContact OD1-N 2.96Å; D455-F517 VanDerWaalsContact OD1-N 3.14Å; D455-R520 IonicContact OD1-CZ 2.95Å; D455-R520 IonicContact OD1-NH1 2.69Å; D455-R520 PolarHBondContact OD1-NH1 3.06Å; D455-R520 IonicContact OD1-NH2 3.13Å; D455-R520 IonicContact OD2-CZ 3.82Å; D455-R520 VanDerWaalsContact OD2-CZ 3.22Å; D455-R520 IonicContact OD2-NH1 3.38Å; D455-R520 PolarHBondContact OD2-NH1 2.84Å; D455-R520 VanDerWaalsContact OD2-NH1 3.08Å; D455-R520 IonicContact OD2-NH2 2.83Å; D455-R520 PolarHBondContact OD2-NH2 3.26Å |
| 456 | V | 93.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.1 | -46 | 176.9 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | P409 L414 F417 L430 S452 L453 L454 H458 A459 F460 | P409-V456 HydrophobicContact CG-CB 4.27Å; P409-V456 HydrophobicContact CG-CG2 3.59Å; L414-V456 HydrophobicContact CD2-CG1 3.87Å; L414-V456 HydrophobicContact CD2-CG2 4.5Å; F417-V456 HydrophobicContact CD2-CG1 3.85Å; F417-V456 HydrophobicContact CE2-CG1 4.01Å; L430-V456 HydrophobicContact CD2-CG1 4.49Å; S452-V456 PolarHBondContact O-N 2.99Å; L453-V456 PolarHBondContact O-N 2.87Å; L454-V456 VanDerWaalsContact C-N 3.32Å; L454-V456 PolarHBondContact O-N 2.92Å; V456-H458 VanDerWaalsContact C-N 3.25Å; V456-H458 PolarHBondContact O-N 3.42Å; V456-A459 PolarHBondContact O-N 3.34Å; V456-A459 VanDerWaalsContact O-N 3.13Å; V456-F460 HydrophobicContact CG1-CD2 3.68Å; V456-F460 HydrophobicContact CG1-CE2 3.96Å; V456-F460 VanDerWaalsContact O-CD2 3.25Å; V456-F460 WeakPolarHBondContact O-CD2 3.42Å; V456-F460 PolarHBondContact O-N 3.23Å |
| 457 | L | 92.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.5 | -27.2 | 176.9 | -68.9 | 177.7 | 0 | 0 | 0 | 113.1 | W355 L356 R359 L360 F417 L453 L454 C463 P465 | W355-L457 HydrophobicContact CH2-CB 4.2Å; W355-L457 HydrophobicContact CZ3-CB 4.41Å; L356-L457 HydrophobicContact CD1-CD1 3.64Å; R359-L457 HydrophobicContact CG-CB 4.25Å; R359-L457 VanDerWaalsContact CZ-O 3.31Å; R359-L457 PolarHBondContact NE-O 3.47Å; R359-L457 PolarHBondContact NH2-O 2.91Å; L360-L457 HydrophobicContact CD2-CD1 4.19Å; F417-L457 HydrophobicContact CE2-CD2 4.32Å; F417-L457 HydrophobicContact CZ-CD2 4.46Å; L453-L457 HydrophobicContact CD1-CD1 3.78Å; L453-L457 HydrophobicContact CD1-CG 3.97Å; L453-L457 HydrophobicContact CG-CD1 3.99Å; L453-L457 HydrophobicContact CG-CG 4.48Å; L453-L457 WeakPolarHBondContact O-CG 3.46Å; L453-L457 PolarHBondContact O-N 3.44Å; L454-L457 PolarHBondContact O-N 3.37Å; L457-C463 HydrophobicContact CD2-CB 4.39Å; L457-P465 HydrophobicContact CD2-CG 4.03Å |
| 458 | H | 91.5 | Very high | 91.2 | Very high | 35 Ų | 35 | 32 Ų | 32 | 16% | 0.162 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -70.7 | -41.6 | 171 | 179.1 | 81.3 | 0 | 0 | 0 | 111.6 | W355 L454 D455 V456 F517 | W355-H458 HydrophobicContact CH2-CB 4.02Å; W355-H458 HydrophobicContact CZ2-CB 4.06Å; L454-H458 VanDerWaalsContact O-CB 3.3Å; L454-H458 WeakPolarHBondContact O-CB 3.46Å; L454-H458 PolarHBondContact O-N 3.39Å; D455-H458 PolarHBondContact O-N 3.25Å; V456-H458 VanDerWaalsContact C-N 3.25Å; V456-H458 PolarHBondContact O-N 3.42Å; H458-F517 HydrophobicContact CB-CD1 3.78Å; H458-F517 HydrophobicContact CB-CD2 4.43Å; H458-F517 HydrophobicContact CB-CE1 3.91Å; H458-F517 HydrophobicContact CB-CG 4.07Å; H458-F517 HydrophobicContact CB-CZ 4.31Å; H458-F517 AromaticContact CD2-CG 3.73Å; H458-F517 AromaticContact CG-CD1 3.95Å; H458-F517 AromaticContact CG-CD2 3.91Å; H458-F517 AromaticContact CG-CG 3.7Å; H458-F517 AromaticContact ND1-CD2 3.86Å |
| 459 | A | 91.9 | Very high | 91.1 | Very high | 8 Ų | 8 | 26.2 Ų | 26.2 | 7% | 0.066 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.6 | -41.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | P245 V247 V248 D455 V456 | P245-A459 HydrophobicContact CB-CB 3.53Å; P245-A459 HydrophobicContact CG-CB 4.13Å; V247-A459 HydrophobicContact CG1-CB 3.44Å; V247-A459 VanDerWaalsContact CG1-CB 3.44Å; V248-A459 HydrophobicContact CG2-CB 3.97Å; D455-A459 WeakPolarHBondContact O-CB 3.48Å; D455-A459 PolarHBondContact O-N 2.98Å; V456-A459 PolarHBondContact O-N 3.34Å; V456-A459 VanDerWaalsContact O-N 3.13Å |
| 460 | F | 93.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 0% | 0.004 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -103.7 | 88.9 | 179.5 | -58.6 | -77.6 | 0 | 0 | 0 | 109.5 | V247 R359 E426 R429 L430 L433 V456 T462 C463 | V247-F460 HydrophobicContact CG1-CE2 3.96Å; V247-F460 HydrophobicContact CG1-CZ 4.31Å; V247-F460 HydrophobicContact CG2-CE2 4.16Å; V247-F460 HydrophobicContact CG2-CZ 4.31Å; R359-F460 PolarHBondContact NH2-O 3.23Å; E426-F460 HydrophobicContact CB-CD1 3.83Å; E426-F460 HydrophobicContact CG-CD1 3.97Å; R429-F460 HydrophobicContact CB-CE1 3.98Å; R429-F460 HydrophobicContact CG-CE1 3.8Å; R429-F460 HydrophobicContact CG-CZ 3.94Å; L430-F460 HydrophobicContact CD1-CB 4.37Å; L430-F460 HydrophobicContact CD1-CD1 4.04Å; L430-F460 HydrophobicContact CD1-CD2 4.31Å; L430-F460 HydrophobicContact CD1-CE1 4.44Å; L430-F460 HydrophobicContact CD1-CG 3.97Å; L430-F460 HydrophobicContact CD2-CD1 4.4Å; L430-F460 HydrophobicContact CD2-CD2 3.75Å; L430-F460 HydrophobicContact CD2-CE1 4.19Å; L430-F460 HydrophobicContact CD2-CE2 3.52Å; L430-F460 HydrophobicContact CD2-CG 4.21Å; L430-F460 HydrophobicContact CD2-CZ 3.75Å; L430-F460 HydrophobicContact CG-CD1 3.94Å; L430-F460 HydrophobicContact CG-CD2 4.16Å; L430-F460 HydrophobicContact CG-CE1 3.84Å; L430-F460 HydrophobicContact CG-CE2 4.08Å; L430-F460 HydrophobicContact CG-CG 4.11Å; L430-F460 HydrophobicContact CG-CZ 3.92Å; L433-F460 HydrophobicContact CD1-CZ 4.14Å; V456-F460 HydrophobicContact CG1-CD2 3.68Å; V456-F460 HydrophobicContact CG1-CE2 3.96Å; V456-F460 VanDerWaalsContact O-CD2 3.25Å; V456-F460 WeakPolarHBondContact O-CD2 3.42Å; V456-F460 PolarHBondContact O-N 3.23Å; F460-T462 PolarHBondContact O-N 2.75Å; F460-C463 HydrophobicContact CB-CB 3.97Å; F460-C463 VanDerWaalsContact O-CB 3.27Å; F460-C463 WeakPolarHBondContact O-CB 3.31Å; F460-C463 PolarHBondContact O-N 2.84Å |
| 461 | R | 90 | Very high | 90.5 | Very high | 189 Ų | 189 | 24.1 Ų | 24.1 | 71% | 0.713 | 12% | 0.116 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -30 | -165.6 | -64.9 | -178.2 | -179.9 | 177.1 | -0.5 | 113.2 | R359 E426 C463 | R359-R461 PolarHBondContact NH2-O 2.9Å; E426-R461 PolarHBondContact OE1-N 2.97Å; E426-R461 PolarHBondContact OE2-N 3.14Å; R461-C463 VanDerWaalsContact C-N 3.3Å |
| 462 | T | 92.4 | Very high | 89.3 | Confident | 37 Ų | 37 | 24.5 Ų | 24.5 | 23% | 0.227 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -8.1 | 179 | 72.1 | 0 | 0 | 0 | 0 | 112.6 | E422 S423 E426 F460 I464 | E422-T462 HydrophobicContact CB-CG2 4.4Å; E422-T462 PolarHBondContact N-OG1 3.08Å; E422-T462 VanDerWaalsContact N-OG1 3.07Å; S423-T462 PolarHBondContact N-OG1 2.7Å; E426-T462 WeakPolarHBondContact OE2-CA 3.26Å; E426-T462 WeakPolarHBondContact OE2-CB 3.36Å; E426-T462 PolarHBondContact OE2-N 3.14Å; E426-T462 PolarHBondContact OE2-OG1 3.01Å; F460-T462 PolarHBondContact O-N 2.75Å; T462-I464 PolarHBondContact O-N 3.27Å |
| 463 | C | 94.1 | Very high | 88 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.007 | 13% | 0.127 | C | C | . | . | trans | -70.9 | 116.4 | 178.2 | -172.7 | 0 | 0 | 0 | 0 | 111.2 | R359 F417 H420 C421 L457 F460 R461 | R359-C463 PolarHBondContact NH1-O 2.71Å; R359-C463 PolarHBondContact NH2-O 2.62Å; F417-C463 VanDerWaalsContact CB-SG 3.51Å; H420-C463 VanDerWaalsContact O-CA 3.31Å; H420-C463 WeakPolarHBondContact O-CA 3.12Å; C421-C463 VanDerWaalsContact SG-CB 3.51Å; L457-C463 HydrophobicContact CD2-CB 4.39Å; F460-C463 HydrophobicContact CB-CB 3.97Å; F460-C463 VanDerWaalsContact O-CB 3.27Å; F460-C463 WeakPolarHBondContact O-CB 3.31Å; F460-C463 PolarHBondContact O-N 2.84Å; R461-C463 VanDerWaalsContact C-N 3.3Å | ||
| 464 | I | 92.7 | Very high | 86.1 | Confident | 70 Ų | 70 | 26.1 Ų | 26.1 | 36% | 0.359 | 13% | 0.131 | S | C | . | . | trans | -128.8 | 84 | 172.2 | -54 | 176.4 | 0 | 0 | 0 | 108.9 | H420 T462 | H420-I464 PolarHBondContact O-N 3.13Å; T462-I464 PolarHBondContact O-N 3.27Å | ||
| 465 | P | 91.8 | Very high | 84.1 | Confident | 4 Ų | 4 | 29.4 Ų | 29.4 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | trans | -72.9 | 143.2 | -179.7 | 30.7 | -33.9 | 0 | 0 | 0 | 110.9 | L360 F417 L457 L470 | L360-P465 HydrophobicContact CD2-CG 4.06Å; F417-P465 HydrophobicContact CD1-CB 3.78Å; F417-P465 HydrophobicContact CD1-CG 3.97Å; F417-P465 HydrophobicContact CE1-CB 3.75Å; F417-P465 HydrophobicContact CE1-CG 3.68Å; F417-P465 HydrophobicContact CZ-CG 4.41Å; L457-P465 HydrophobicContact CD2-CG 4.03Å; P465-L470 HydrophobicContact CB-CD2 4.49Å; P465-L470 HydrophobicContact CG-CD1 4.14Å; P465-L470 HydrophobicContact CG-CD2 4.13Å; P465-L470 HydrophobicContact CG-CG 4.26Å | ||
| 466 | P | 89.3 | Confident | 81.5 | Confident | 48 Ų | 48 | 29.9 Ų | 29.9 | 31% | 0.312 | 15% | 0.147 | S | C | . | . | trans | -66.5 | 142.1 | 176.4 | 26.5 | -36.2 | 0 | 0 | 0 | 111.5 | H420 D468 R469 L470 | H420-P466 WeakPolarHBondContact CD2-CD 3.45Å; H420-P466 WeakPolarHBondContact NE2-CD 3.37Å; P466-D468 PolarHBondContact O-N 3.26Å; P466-R469 HydrophobicContact CB-CG 4.36Å; P466-R469 HydrophobicContact CG-CB 4.13Å; P466-R469 HydrophobicContact CG-CG 3.51Å; P466-R469 WeakPolarHBondContact O-CB 3.28Å; P466-R469 PolarHBondContact O-N 3.05Å; P466-R469 VanDerWaalsContact O-N 3.12Å; P466-L470 PolarHBondContact O-N 3.3Å | ||
| 467 | I | 89.4 | Confident | 78.8 | Confident | 24 Ų | 24 | 32.8 Ų | 32.8 | 12% | 0.123 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.2 | -42.3 | -172.3 | -173.7 | 164.4 | 0 | 0 | 0 | 113.3 | L362 L395 F399 R469 L470 L471 | L362-I467 HydrophobicContact CD1-CB 4.41Å; L362-I467 HydrophobicContact CD1-CD1 3.7Å; L362-I467 HydrophobicContact CD1-CG1 4.42Å; L395-I467 HydrophobicContact CB-CD1 4.26Å; L395-I467 HydrophobicContact CD1-CD1 3.53Å; L395-I467 HydrophobicContact CD2-CD1 3.37Å; L395-I467 HydrophobicContact CG-CD1 3.88Å; F399-I467 HydrophobicContact CE2-CD1 3.82Å; F399-I467 HydrophobicContact CE2-CG1 4.48Å; F399-I467 HydrophobicContact CZ-CD1 4.02Å; F399-I467 HydrophobicContact CZ-CG1 4.18Å; I467-R469 PolarHBondContact O-N 2.88Å; I467-L470 WeakPolarHBondContact O-CA 3.46Å; I467-L470 WeakPolarHBondContact O-CB 3.16Å; I467-L470 PolarHBondContact O-N 2.89Å; I467-L471 HydrophobicContact CG1-CD1 4.03Å; I467-L471 HydrophobicContact CG1-CD2 4.24Å; I467-L471 HydrophobicContact CG1-CG 3.87Å; I467-L471 WeakPolarHBondContact O-CG 3.36Å; I467-L471 PolarHBondContact O-N 3.46Å |
| 468 | D | 87.6 | Confident | 76 | Confident | 48 Ų | 48 | 35 Ų | 35 | 26% | 0.257 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -54.4 | -31.7 | -179.7 | -59.8 | -38 | 0 | 0 | 0 | 112.5 | S273 P466 G472 | S273-D468 WeakPolarHBondContact CA-OD1 3.25Å; S273-D468 WeakPolarHBondContact CB-OD1 3.39Å; S273-D468 PolarHBondContact N-OD1 2.81Å; S273-D468 PolarHBondContact OG-OD1 2.98Å; P466-D468 PolarHBondContact O-N 3.26Å; D468-G472 PolarHBondContact O-N 2.8Å |
| 469 | R | 84.7 | Confident | 73.4 | Confident | 30 Ų | 30 | 38.4 Ų | 38.4 | 11% | 0.113 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -80.5 | -34.6 | -179.2 | -53.2 | -64.2 | -74 | 145.7 | -11.5 | 111.6 | L267 L416 P466 I467 S473 | L267-R469 PolarHBondContact O-NH2 3.34Å; L416-R469 HydrophobicContact CD1-CB 4.3Å; L416-R469 HydrophobicContact CD1-CG 4.34Å; L416-R469 HydrophobicContact CD2-CB 3.53Å; L416-R469 HydrophobicContact CD2-CG 4.44Å; P466-R469 HydrophobicContact CB-CG 4.36Å; P466-R469 HydrophobicContact CG-CB 4.13Å; P466-R469 HydrophobicContact CG-CG 3.51Å; P466-R469 WeakPolarHBondContact O-CB 3.28Å; P466-R469 PolarHBondContact O-N 3.05Å; P466-R469 VanDerWaalsContact O-N 3.12Å; I467-R469 PolarHBondContact O-N 2.88Å; R469-S473 WeakPolarHBondContact O-CB 3.23Å; R469-S473 PolarHBondContact O-N 3.15Å |
| 470 | L | 84.2 | Confident | 70.7 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.1 | -48.2 | 169.4 | -66.5 | 178.1 | 0 | 0 | 0 | 110.8 | L360 M413 F417 L453 P465 P466 I467 G472 S473 S474 | L360-L470 HydrophobicContact CD1-CD1 3.49Å; L360-L470 VanDerWaalsContact CD1-CD1 3.49Å; L360-L470 HydrophobicContact CD2-CD1 4.27Å; M413-L470 HydrophobicContact SD-CD2 4.11Å; F417-L470 HydrophobicContact CE1-CD2 3.77Å; F417-L470 HydrophobicContact CZ-CD2 3.92Å; L453-L470 HydrophobicContact CD1-CD2 4.13Å; L453-L470 HydrophobicContact CD2-CD2 4.38Å; P465-L470 HydrophobicContact CB-CD2 4.49Å; P465-L470 HydrophobicContact CG-CD1 4.14Å; P465-L470 HydrophobicContact CG-CD2 4.13Å; P465-L470 HydrophobicContact CG-CG 4.26Å; P466-L470 PolarHBondContact O-N 3.3Å; I467-L470 WeakPolarHBondContact O-CA 3.46Å; I467-L470 WeakPolarHBondContact O-CB 3.16Å; I467-L470 PolarHBondContact O-N 2.89Å; L470-G472 VanDerWaalsContact C-N 3.27Å; L470-G472 PolarHBondContact O-N 2.75Å; L470-S473 PolarHBondContact O-N 3.44Å; L470-S474 WeakPolarHBondContact O-CB 3.31Å; L470-S474 PolarHBondContact O-N 3.23Å; L470-S474 PolarHBondContact O-OG 3.19Å; L470-S474 VanDerWaalsContact O-OG 3.08Å |
| 471 | L | 82.1 | Confident | 67.9 | Low | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.2 | -38.3 | 178.2 | -59.2 | -178.2 | 0 | 0 | 0 | 112 | L271 L372 L398 F399 L403 I467 | L271-L471 HydrophobicContact CD2-CB 3.49Å; L271-L471 VanDerWaalsContact CD2-CB 3.49Å; L271-L471 HydrophobicContact CD2-CD1 4.4Å; L372-L471 HydrophobicContact CD2-CD1 3.78Å; L398-L471 HydrophobicContact CB-CD2 4.38Å; L398-L471 HydrophobicContact CD1-CD1 4.07Å; L398-L471 HydrophobicContact CD1-CD2 4.11Å; F399-L471 HydrophobicContact CZ-CD2 4.43Å; L403-L471 HydrophobicContact CD1-CD2 3.46Å; L403-L471 VanDerWaalsContact CD1-CD2 3.46Å; I467-L471 HydrophobicContact CG1-CD1 4.03Å; I467-L471 HydrophobicContact CG1-CD2 4.24Å; I467-L471 HydrophobicContact CG1-CG 3.87Å; I467-L471 WeakPolarHBondContact O-CG 3.36Å; I467-L471 PolarHBondContact O-N 3.46Å |
| 472 | G | 69.2 | Low | 65 | Low | 9 Ų | 9 | 35.1 Ų | 35.1 | 9% | 0.093 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -86.1 | -17.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | W270 D468 L470 | W270-G472 PolarHBondContact NE1-O 3.45Å; D468-G472 PolarHBondContact O-N 2.8Å; L470-G472 VanDerWaalsContact C-N 3.27Å; L470-G472 PolarHBondContact O-N 2.75Å |
| 473 | S | 62.6 | Low | 62.1 | Low | 22 Ų | 22 | 33.9 Ų | 33.9 | 15% | 0.154 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -104.9 | -30.2 | -179.2 | -170.9 | 0 | 0 | 0 | 0 | 113 | R469 L470 R475 | R469-S473 WeakPolarHBondContact O-CB 3.23Å; R469-S473 PolarHBondContact O-N 3.15Å; L470-S473 PolarHBondContact O-N 3.44Å; S473-R475 VanDerWaalsContact C-N 3.33Å; S473-R475 PolarHBondContact O-N 3.25Å |
| 474 | S | 50.4 | Low | 59.3 | Low | 16 Ų | 16 | 35.1 Ų | 35.1 | 11% | 0.112 | 18% | 0.182 | C | C | . | . | trans | -75.5 | 89.4 | 173.1 | -63.9 | 0 | 0 | 0 | 0 | 108 | L470 | L470-S474 WeakPolarHBondContact O-CB 3.31Å; L470-S474 PolarHBondContact O-N 3.23Å; L470-S474 PolarHBondContact O-OG 3.19Å; L470-S474 VanDerWaalsContact O-OG 3.08Å | ||
| 475 | R | 49 | Very low | 56.4 | Low | 71 Ų | 71 | 32 Ų | 32 | 27% | 0.268 | 17% | 0.167 | S | C | . | . | trans | -64.9 | 138.5 | 163.8 | -92.8 | -172 | 165.1 | -179.7 | -0.1 | 108.8 | D146 T150 D151 Q407 S473 D477 | D146-R475 IonicContact OD1-NH1 2.71Å; D146-R475 PolarHBondContact OD1-NH1 2.83Å; D146-R475 VanDerWaalsContact OD1-NH1 3.09Å; T150-R475 VanDerWaalsContact OG1-CZ 3.24Å; T150-R475 PolarHBondContact OG1-NH1 3.48Å; T150-R475 PolarHBondContact OG1-NH2 2.93Å; D151-R475 IonicContact OD1-NH2 3.4Å; Q407-R475 PolarHBondContact OE1-O 3.15Å; Q407-R475 VanDerWaalsContact OE1-O 3.1Å; S473-R475 VanDerWaalsContact C-N 3.33Å; S473-R475 PolarHBondContact O-N 3.25Å; R475-D477 PolarHBondContact O-N 3.03Å | ||
| 476 | V | 39.1 | Very low | 53.7 | Low | 11 Ų | 11 | 32.2 Ų | 32.2 | 7% | 0.067 | 17% | 0.167 | C | C | . | . | trans | -92.6 | 90.6 | 162.4 | 174.5 | 0 | 0 | 0 | 0 | 107.4 | C402 L403 D404 V478 | C402-V476 WeakPolarHBondContact O-CG2 3.37Å; L403-V476 HydrophobicContact CB-CG2 4.36Å; L403-V476 HydrophobicContact CD2-CG2 4.02Å; D404-V476 VanDerWaalsContact N-CG2 3.31Å; V476-V478 HydrophobicContact CB-CG2 4.45Å; V476-V478 HydrophobicContact CG1-CB 3.69Å; V476-V478 HydrophobicContact CG1-CG2 2.96Å; V476-V478 PolarHBondContact O-N 3.46Å; V476-V478 VanDerWaalsContact O-N 3.14Å | ||
| 477 | D | 37.4 | Very low | 50.9 | Low | 61 Ų | 61 | 31.6 Ų | 31.6 | 33% | 0.326 | 16% | 0.161 | S | C | . | . | trans | -67.7 | 89 | 132.4 | -64.8 | -38.1 | 0 | 0 | 0 | 103.9 | R475 F479 | R475-D477 PolarHBondContact O-N 3.03Å; D477-F479 HydrophobicContact CB-CD2 3.68Å; D477-F479 HydrophobicContact CB-CE2 3.45Å; D477-F479 VanDerWaalsContact CB-CE2 3.45Å; D477-F479 HydrophobicContact CB-CG 4.49Å; D477-F479 HydrophobicContact CB-CZ 4.11Å; D477-F479 PolarHBondContact O-N 3.26Å | ||
| 478 | V | 34.1 | Very low | 47.8 | Very low | 46 Ų | 46 | 36.3 Ų | 36.3 | 28% | 0.279 | 18% | 0.183 | S | C | . | . | trans | -61 | 100.6 | 158.4 | -174.9 | 0 | 0 | 0 | 0 | 99.1 | Y289 V476 I480 | Y289-V478 HydrophobicContact CD1-CG2 4.25Å; Y289-V478 HydrophobicContact CE1-CG2 4.19Å; V476-V478 HydrophobicContact CB-CG2 4.45Å; V476-V478 HydrophobicContact CG1-CB 3.69Å; V476-V478 HydrophobicContact CG1-CG2 2.96Å; V476-V478 PolarHBondContact O-N 3.46Å; V476-V478 VanDerWaalsContact O-N 3.14Å; V478-I480 HydrophobicContact CB-CD1 4.26Å; V478-I480 HydrophobicContact CB-CG1 3.67Å; V478-I480 HydrophobicContact CG1-CB 4.37Å; V478-I480 HydrophobicContact CG1-CD1 4.17Å; V478-I480 HydrophobicContact CG1-CG1 3.25Å; V478-I480 PolarHBondContact O-N 3.21Å | ||
| 479 | F | 36.1 | Very low | 45.1 | Very low | 107 Ų | 107 | 36 Ų | 36 | 47% | 0.469 | 18% | 0.181 | S | C | . | . | trans | -69.4 | 76.5 | 166.5 | -84.7 | -82 | 0 | 0 | 0 | 104.5 | D477 H481 | D477-F479 HydrophobicContact CB-CD2 3.68Å; D477-F479 HydrophobicContact CB-CE2 3.45Å; D477-F479 VanDerWaalsContact CB-CE2 3.45Å; D477-F479 HydrophobicContact CB-CG 4.49Å; D477-F479 HydrophobicContact CB-CZ 4.11Å; D477-F479 PolarHBondContact O-N 3.26Å; F479-H481 PolarHBondContact O-N 3.36Å; F479-H481 PolarHBondContact O-ND1 2.97Å | ||
| 480 | I | 34.5 | Very low | 42.2 | Very low | 19 Ų | 19 | 42.2 Ų | 42.2 | 10% | 0.097 | 22% | 0.215 | C | C | . | . | trans | -68.7 | 96.2 | 165.1 | -54.9 | 171.7 | 0 | 0 | 0 | 103.4 | Y289 C343 F344 I345 V478 P482 F540 | Y289-I480 HydrophobicContact CD1-CD1 4.27Å; Y289-I480 HydrophobicContact CG-CD1 4.38Å; C343-I480 HydrophobicContact CB-CB 3.96Å; C343-I480 HydrophobicContact CB-CD1 4.17Å; C343-I480 HydrophobicContact CB-CG2 3.14Å; C343-I480 WeakPolarHBondContact SG-CG2 3.21Å; F344-I480 WeakPolarHBondContact O-CG2 3.37Å; I345-I480 HydrophobicContact CD1-CD1 3.98Å; V478-I480 HydrophobicContact CB-CD1 4.26Å; V478-I480 HydrophobicContact CB-CG1 3.67Å; V478-I480 HydrophobicContact CG1-CB 4.37Å; V478-I480 HydrophobicContact CG1-CD1 4.17Å; V478-I480 HydrophobicContact CG1-CG1 3.25Å; V478-I480 PolarHBondContact O-N 3.21Å; I480-P482 WeakPolarHBondContact O-CD 3.44Å; I480-F540 HydrophobicContact CD1-CD1 4.5Å; I480-F540 HydrophobicContact CD1-CE1 3.27Å; I480-F540 HydrophobicContact CD1-CE2 4.46Å; I480-F540 HydrophobicContact CD1-CZ 3.25Å | ||
| 481 | H | 34.7 | Very low | 39.4 | Very low | 69 Ų | 69 | 44.1 Ų | 44.1 | 32% | 0.319 | 24% | 0.235 | S | C | . | . | trans | -57.2 | 118.7 | 176.1 | -91 | 65 | 0 | 0 | 0 | 106.6 | F479 C483 | F479-H481 PolarHBondContact O-N 3.36Å; F479-H481 PolarHBondContact O-ND1 2.97Å; H481-C483 VanDerWaalsContact C-N 3.3Å; H481-C483 PolarHBondContact O-N 3.07Å | ||
| 482 | P | 30 | Very low | 36.9 | Very low | 40 Ų | 40 | 47.5 Ų | 47.5 | 26% | 0.26 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 97.5 | 172.5 | 25.2 | -30.4 | 0 | 0 | 0 | 107.5 | S341 L342 I480 K542 | S341-P482 VanDerWaalsContact CB-CB 3.46Å; L342-P482 CarbonylContact O-C 3.54Å; L342-P482 VanDerWaalsContact O-CA 3.31Å; L342-P482 WeakPolarHBondContact O-CA 3.49Å; I480-P482 WeakPolarHBondContact O-CD 3.44Å; P482-K542 HydrophobicContact CB-CD 4.19Å |
| 483 | C | 31.5 | Very low | 35 | Very low | 11 Ų | 11 | 50.1 Ų | 50.1 | 7% | 0.074 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 122.5 | 165 | -75.1 | 0 | 0 | 0 | 0 | 106.3 | L342 F344 H481 F503 | L342-C483 WeakPolarHBondContact CA-O 3.34Å; L342-C483 VanDerWaalsContact CB-O 3.3Å; L342-C483 WeakPolarHBondContact CB-O 3.39Å; L342-C483 PolarHBondContact N-O 3.46Å; L342-C483 PolarHBondContact O-N 3.19Å; F344-C483 HydrophobicContact CD2-CB 4.11Å; F344-C483 HydrophobicContact CE2-CB 3.31Å; F344-C483 VanDerWaalsContact CE2-SG 3.58Å; F344-C483 HydrophobicContact CZ-CB 4.13Å; H481-C483 VanDerWaalsContact C-N 3.3Å; H481-C483 PolarHBondContact O-N 3.07Å; C483-F503 VanDerWaalsContact C-CD1 3.44Å; C483-F503 HydrophobicContact CB-CB 4.23Å; C483-F503 HydrophobicContact CB-CD1 3.65Å; C483-F503 HydrophobicContact CB-CE1 4.43Å; C483-F503 HydrophobicContact CB-CG 4.28Å; C483-F503 WeakPolarHBondContact O-CD1 3.4Å; C483-F503 VanDerWaalsContact O-CE1 3.28Å; C483-F503 WeakPolarHBondContact O-CE1 3.48Å |
| 484 | R | 36.1 | Very low | 34 | Very low | 27 Ų | 27 | 55 Ų | 55 | 10% | 0.102 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 144.3 | -175.9 | -64.1 | -170.4 | 173.9 | -141.5 | 6.7 | 111.8 | G339 D340 S341 H486 F503 D687 | G339-R484 PolarHBondContact O-NH1 3Å; D340-R484 WeakPolarHBondContact O-CA 3.42Å; D340-R484 VanDerWaalsContact O-CB 3.31Å; D340-R484 WeakPolarHBondContact O-CB 3.02Å; D340-R484 WeakPolarHBondContact O-CG 3.37Å; S341-R484 WeakPolarHBondContact OG-CG 3.13Å; S341-R484 VanDerWaalsContact OG-CZ 3.32Å; S341-R484 PolarHBondContact OG-NE 3.33Å; R484-H486 PolarHBondContact O-CE1 2.94Å; R484-H486 PolarHBondContact O-ND1 3.42Å; R484-F503 WeakPolarHBondContact O-CD1 3.16Å; R484-D687 WeakPolarHBondContact CD-OD2 3.29Å; R484-D687 IonicContact CZ-OD1 2.61Å; R484-D687 IonicContact CZ-OD2 2.69Å; R484-D687 IonicContact NE-OD1 2.88Å; R484-D687 IonicContact NE-OD2 2.71Å; R484-D687 PolarHBondContact NE-OD2 3.47Å; R484-D687 IonicContact NH1-OD2 2.94Å; R484-D687 PolarHBondContact NH1-OD2 2.93Å; R484-D687 IonicContact NH2-OD1 3.83Å; R484-D687 PolarHBondContact NH2-OD1 3.13Å; R484-D687 IonicContact NH2-OD2 3.19Å; R484-D687 PolarHBondContact NH2-OD2 2.74Å; R484-D687 VanDerWaalsContact NH2-OD2 3.11Å |
| 485 | I | 29.8 | Very low | 33.4 | Very low | 5 Ų | 5 | 61.7 Ų | 61.7 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 141.4 | -174.6 | -54.9 | 163.9 | 0 | 0 | 0 | 111.4 | L323 Y336 D340 D502 F503 L541 | L323-I485 HydrophobicContact CD1-CD1 4.35Å; L323-I485 HydrophobicContact CD1-CG2 4.47Å; Y336-I485 HydrophobicContact CD2-CB 4.29Å; Y336-I485 HydrophobicContact CD2-CD1 3.6Å; Y336-I485 HydrophobicContact CD2-CG2 3.92Å; Y336-I485 HydrophobicContact CE2-CB 4.24Å; Y336-I485 HydrophobicContact CE2-CD1 4.15Å; Y336-I485 HydrophobicContact CE2-CG2 3.39Å; Y336-I485 HydrophobicContact CG-CD1 3.83Å; D340-I485 HydrophobicContact CB-CD1 4.46Å; I485-D502 CarbonylContact C-O 3.48Å; I485-F503 HydrophobicContact CB-CE1 4.15Å; I485-F503 HydrophobicContact CB-CZ 4.19Å; I485-F503 HydrophobicContact CG1-CE1 3.55Å; I485-F503 HydrophobicContact CG1-CZ 3.53Å; I485-F503 HydrophobicContact CG2-CZ 4.49Å; I485-L541 HydrophobicContact CD1-CD2 4.41Å |
| 486 | H | 35.8 | Very low | 33 | Very low | 9 Ų | 9 | 63.5 Ų | 63.5 | 4% | 0.042 | 36% | 0.359 | C | S | . | . | B | Isolated β-bridge | trans | -132.7 | 153.9 | 170.2 | -47.6 | 58.1 | 0 | 0 | 0 | 109.2 | R484 G501 D502 A567 | R484-H486 PolarHBondContact O-CE1 2.94Å; R484-H486 PolarHBondContact O-ND1 3.42Å; H486-G501 CarbonylContact O-C 3.6Å; H486-G501 VanDerWaalsContact O-CA 3.29Å; H486-G501 WeakPolarHBondContact O-CA 3.28Å; H486-D502 HydrophobicContact CB-CB 3.87Å; H486-D502 WeakPolarHBondContact CB-O 3.46Å; H486-D502 PolarHBondContact N-O 3.47Å; H486-D502 PolarHBondContact ND1-O 2.86Å; H486-D502 PolarHBondContact O-N 3.28Å; H486-A567 VanDerWaalsContact CD2-C 3.5Å; H486-A567 PolarHBondContact CD2-O 3.12Å; H486-A567 WeakPolarHBondContact NE2-CA 3.36Å; H486-A567 WeakPolarHBondContact NE2-CB 3.48Å; H486-A567 PolarHBondContact NE2-O 3.31Å |
| 487 | L | 30.2 | Very low | 33.1 | Very low | 35 Ų | 35 | 70.6 Ų | 70.6 | 18% | 0.183 | 40% | 0.397 | C | S | . | . | trans | -132.7 | 135.1 | 179.8 | -92.5 | 166.1 | 0 | 0 | 0 | 109.2 | Y336 L489 E498 V500 R574 | Y336-L487 HydrophobicContact CE2-CD1 4.02Å; Y336-L487 VanDerWaalsContact OH-CD1 3.23Å; Y336-L487 WeakPolarHBondContact OH-CD1 3.37Å; Y336-L487 WeakPolarHBondContact OH-CG 3.25Å; L487-L489 HydrophobicContact CB-CG 4.46Å; L487-L489 PolarHBondContact O-N 3.07Å; L487-E498 HydrophobicContact CD2-CB 3.55Å; L487-V500 WeakPolarHBondContact CD2-O 3.36Å; L487-R574 WeakPolarHBondContact O-CD 3.33Å; L487-R574 PolarHBondContact O-NH1 3.47Å | ||
| 488 | E | 25.4 | Very low | 34.1 | Very low | 123 Ų | 123 | 71.8 Ų | 71.8 | 58% | 0.575 | 40% | 0.401 | S | S | * | . | trans | -76 | 87.8 | 168.4 | -84.5 | -171.4 | 164.2 | 0 | 0 | 110.9 | L490 R574 | E488-L490 PolarHBondContact O-N 3.1Å; E488-R574 VanDerWaalsContact CG-CZ 3.49Å; E488-R574 VanDerWaalsContact CG-NH2 3.27Å; E488-R574 IonicContact OE1-NH2 3.12Å | ||
| 489 | L | 30.6 | Very low | 35.9 | Very low | 42 Ų | 42 | 70.6 Ų | 70.6 | 22% | 0.22 | 39% | 0.394 | C | S | . | . | trans | -76.7 | 90.9 | 177.9 | -79.9 | 149.9 | 0 | 0 | 0 | 111.1 | L487 G491 R574 R577 | L487-L489 HydrophobicContact CB-CG 4.46Å; L487-L489 PolarHBondContact O-N 3.07Å; L489-G491 PolarHBondContact O-N 3.33Å; L489-R574 HydrophobicContact CB-CB 4.15Å; L489-R574 HydrophobicContact CD1-CB 3.87Å; L489-R574 WeakPolarHBondContact CD1-O 3.09Å; L489-R574 HydrophobicContact CG-CB 4.47Å; L489-R577 WeakPolarHBondContact O-CD 3.26Å; L489-R577 PolarHBondContact O-NE 3.39Å; L489-R577 PolarHBondContact O-NH1 3.16Å | ||
| 490 | L | 24.6 | Very low | 38 | Very low | 159 Ų | 159 | 67.5 Ų | 67.5 | 83% | 0.832 | 38% | 0.384 | S | S | * | . | trans | -81.9 | 92 | 155.1 | -93.9 | 166.8 | 0 | 0 | 0 | 108.2 | E488 | E488-L490 PolarHBondContact O-N 3.1Š| ||
| 491 | G | 24.9 | Very low | 40.2 | Very low | 40 Ų | 40 | 66.6 Ų | 66.6 | 41% | 0.412 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 111.8 | 167.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L489 | L489-G491 PolarHBondContact O-N 3.33Š|
| 492 | S | 29 | Very low | 42.4 | Very low | 76 Ų | 76 | 63.9 Ų | 63.9 | 53% | 0.531 | 37% | 0.367 | S | S | . | . | trans | -68.3 | 135.8 | -163.7 | -74.9 | 0 | 0 | 0 | 0 | 117.6 | E578 | S492-E578 VanDerWaalsContact C-CD 3.5Å; S492-E578 WeakPolarHBondContact CA-OE1 3.33Å; S492-E578 WeakPolarHBondContact CB-OE1 3.37Å; S492-E578 WeakPolarHBondContact OG-CG 3.32Å; S492-E578 PolarHBondContact OG-OE1 3.05Å | ||
| 493 | S | 29.3 | Very low | 45 | Very low | 64 Ų | 64 | 62 Ų | 62 | 45% | 0.448 | 36% | 0.355 | S | S | . | . | S | Bend | trans | 101.6 | 145.9 | 151.2 | -165.1 | 0 | 0 | 0 | 0 | 116.5 | L495 E578 | S493-L495 PolarHBondContact O-N 2.93Å; S493-E578 WeakPolarHBondContact CA-OE2 3.3Å; S493-E578 PolarHBondContact N-OE2 3.36Å |
| 494 | P | 40.8 | Very low | 47.6 | Very low | 124 Ų | 124 | 63.1 Ų | 63.1 | 81% | 0.805 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | 26.9 | -169.6 | -14.5 | 30.6 | 0 | 0 | 0 | 116.4 | ||
| 495 | L | 38.4 | Very low | 50 | Low | 157 Ų | 157 | 62.3 Ų | 62.3 | 82% | 0.822 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128 | 16.6 | -166.5 | -74 | 172.5 | 0 | 0 | 0 | 115.8 | S493 | S493-L495 PolarHBondContact O-N 2.93Š|
| 496 | V | 41.6 | Very low | 52.8 | Low | 108 Ų | 108 | 63.8 Ų | 63.8 | 66% | 0.655 | 37% | 0.368 | S | S | * | . | trans | -108 | 108.5 | 177.1 | -168 | 0 | 0 | 0 | 0 | 111.3 | E498 | V496-E498 HydrophobicContact CG1-CG 4.3Å; V496-E498 PolarHBondContact O-N 2.85Å | ||
| 497 | N | 41 | Very low | 55.3 | Low | 161 Ų | 161 | 63.7 Ų | 63.7 | 86% | 0.861 | 37% | 0.368 | S | S | * | . | trans | -62.8 | 86.8 | 167.3 | -88.2 | -26.6 | 0 | 0 | 0 | 110 | ||||
| 498 | E | 57.7 | Low | 58 | Low | 86 Ų | 86 | 67.1 Ų | 67.1 | 40% | 0.402 | 38% | 0.383 | S | S | . | . | trans | -99.2 | 124.5 | 161.4 | -78.6 | -172.4 | 177.7 | 0 | 0 | 110.1 | Y336 L487 V496 V500 | Y336-E498 PolarHBondContact OH-O 3.14Å; L487-E498 HydrophobicContact CD2-CB 3.55Å; V496-E498 HydrophobicContact CG1-CG 4.3Å; V496-E498 PolarHBondContact O-N 2.85Å; E498-V500 VanDerWaalsContact C-N 3.25Å | ||
| 499 | S | 72.6 | Confident | 61.1 | Low | 20 Ų | 20 | 64 Ų | 64 | 14% | 0.14 | 37% | 0.368 | C | S | . | . | trans | -82.7 | -2.2 | 176.9 | 57.4 | 0 | 0 | 0 | 0 | 113.7 | D322 L323 Q324 | D322-S499 WeakPolarHBondContact OD1-CB 3.43Å; D322-S499 PolarHBondContact OD1-OG 3.12Å; L323-S499 WeakPolarHBondContact CA-O 3.36Å; L323-S499 WeakPolarHBondContact CB-O 3.47Å; L323-S499 VanDerWaalsContact CG-O 3.28Å; L323-S499 WeakPolarHBondContact CG-O 3.22Å; L323-S499 PolarHBondContact N-O 3.06Å; Q324-S499 VanDerWaalsContact CB-CB 3.46Å; Q324-S499 VanDerWaalsContact CD-CB 3.41Å; Q324-S499 VanDerWaalsContact CD-OG 3.27Å; Q324-S499 PolarHBondContact NE2-OG 3.4Å; Q324-S499 VanDerWaalsContact NE2-OG 3.12Å | ||
| 500 | V | 80.2 | Confident | 63.8 | Low | 43 Ų | 43 | 63.1 Ų | 63.1 | 26% | 0.261 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 133.3 | -175.4 | -177.9 | 0 | 0 | 0 | 0 | 110.3 | L302 L321 L487 E498 | L302-V500 HydrophobicContact CD1-CB 4.38Å; L302-V500 HydrophobicContact CD1-CG1 3.82Å; L302-V500 HydrophobicContact CD1-CG2 3.71Å; L321-V500 CarbonylContact O-C 3.51Å; L321-V500 VanDerWaalsContact O-CA 3.23Å; L321-V500 WeakPolarHBondContact O-CA 3.38Å; L487-V500 WeakPolarHBondContact CD2-O 3.36Å; E498-V500 VanDerWaalsContact C-N 3.25Å |
| 501 | G | 79.7 | Confident | 66.8 | Low | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 123.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q320 L321 H486 F503 | Q320-G501 CarbonylContact C-O 3.52Å; Q320-G501 WeakPolarHBondContact CA-O 3.36Å; L321-G501 PolarHBondContact N-O 3.45Å; L321-G501 PolarHBondContact O-N 3.27Å; H486-G501 CarbonylContact O-C 3.6Å; H486-G501 VanDerWaalsContact O-CA 3.29Å; H486-G501 WeakPolarHBondContact O-CA 3.28Å; G501-F503 WeakPolarHBondContact O-CD2 3.23Å; G501-F503 WeakPolarHBondContact O-CE2 3.4Å |
| 502 | D | 80.8 | Confident | 69.8 | Low | 12 Ų | 12 | 57.5 Ų | 57.5 | 6% | 0.064 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 148.2 | 164.1 | -30.4 | -55.7 | 0 | 0 | 0 | 110.1 | I318 L319 Q320 I485 H486 R574 | I318-D502 HydrophobicContact CG2-CB 4.38Å; L319-D502 CarbonylContact O-C 3.49Å; L319-D502 WeakPolarHBondContact O-CA 3.37Å; Q320-D502 HydrophobicContact CG-CB 4.42Å; Q320-D502 VanDerWaalsContact CG-OD1 3.3Å; Q320-D502 WeakPolarHBondContact CG-OD1 3.05Å; Q320-D502 PolarHBondContact NE2-OD1 2.66Å; I485-D502 CarbonylContact C-O 3.48Å; H486-D502 HydrophobicContact CB-CB 3.87Å; H486-D502 WeakPolarHBondContact CB-O 3.46Å; H486-D502 PolarHBondContact N-O 3.47Å; H486-D502 PolarHBondContact ND1-O 2.86Å; H486-D502 PolarHBondContact O-N 3.28Å; D502-R574 IonicContact OD2-CZ 3.49Å; D502-R574 IonicContact OD2-NH1 3.72Å; D502-R574 PolarHBondContact OD2-NH1 3.15Å; D502-R574 IonicContact OD2-NH2 3.73Å |
| 503 | F | 84.9 | Confident | 72.6 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 146.4 | 179.3 | -58.1 | -96.4 | 0 | 0 | 0 | 107.9 | I318 L319 L321 L342 C483 R484 I485 G501 | I318-F503 CarbonylContact C-O 3.53Å; I318-F503 WeakPolarHBondContact CA-O 3.46Å; L319-F503 HydrophobicContact CB-CB 4.2Å; L319-F503 PolarHBondContact N-O 3.13Å; L319-F503 WeakPolarHBondContact O-CD2 3.32Å; L319-F503 PolarHBondContact O-N 3.03Å; L321-F503 HydrophobicContact CB-CD2 4.46Å; L321-F503 HydrophobicContact CB-CE2 3.89Å; L321-F503 HydrophobicContact CD1-CD2 3.83Å; L321-F503 HydrophobicContact CD1-CE2 3.37Å; L321-F503 HydrophobicContact CD1-CZ 3.91Å; L321-F503 HydrophobicContact CG-CD2 3.82Å; L321-F503 HydrophobicContact CG-CE2 3.59Å; L342-F503 HydrophobicContact CB-CE1 3.74Å; L342-F503 HydrophobicContact CB-CZ 4.23Å; L342-F503 HydrophobicContact CD2-CE1 3.95Å; L342-F503 HydrophobicContact CD2-CZ 3.64Å; C483-F503 VanDerWaalsContact C-CD1 3.44Å; C483-F503 HydrophobicContact CB-CB 4.23Å; C483-F503 HydrophobicContact CB-CD1 3.65Å; C483-F503 HydrophobicContact CB-CE1 4.43Å; C483-F503 HydrophobicContact CB-CG 4.28Å; C483-F503 WeakPolarHBondContact O-CD1 3.4Å; C483-F503 VanDerWaalsContact O-CE1 3.28Å; C483-F503 WeakPolarHBondContact O-CE1 3.48Å; R484-F503 WeakPolarHBondContact O-CD1 3.16Å; I485-F503 HydrophobicContact CB-CE1 4.15Å; I485-F503 HydrophobicContact CB-CZ 4.19Å; I485-F503 HydrophobicContact CG1-CE1 3.55Å; I485-F503 HydrophobicContact CG1-CZ 3.53Å; I485-F503 HydrophobicContact CG2-CZ 4.49Å; G501-F503 WeakPolarHBondContact O-CD2 3.23Å; G501-F503 WeakPolarHBondContact O-CE2 3.4Å |
| 504 | V | 86.2 | Confident | 75.2 | Confident | 35 Ų | 35 | 58.3 Ų | 58.3 | 21% | 0.212 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 130.1 | 175.9 | -171.8 | 0 | 0 | 0 | 0 | 109 | I307 F317 I318 T564 A567 | I307-V504 HydrophobicContact CD1-CG1 4.36Å; F317-V504 WeakPolarHBondContact O-CA 2.92Å; I318-V504 HydrophobicContact CG1-CG2 4.27Å; V504-T564 HydrophobicContact CG1-CG2 3.53Å; V504-A567 HydrophobicContact CB-CB 4.02Å; V504-A567 HydrophobicContact CG2-CB 3.99Å |
| 505 | Y | 87.4 | Confident | 77.3 | Confident | 10 Ų | 10 | 52.8 Ų | 52.8 | 4% | 0.039 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 153.9 | 173.6 | 69.7 | -85 | 0 | 0 | 0 | 111.2 | N304 K316 F317 L319 T525 L528 C529 | N304-Y505 PolarHBondContact OD1-OH 3.08Å; K316-Y505 WeakPolarHBondContact CA-O 3.45Å; F317-Y505 HydrophobicContact CB-CD1 4Å; F317-Y505 HydrophobicContact CB-CD2 4.5Å; F317-Y505 HydrophobicContact CB-CE1 3.41Å; F317-Y505 VanDerWaalsContact CB-CE1 3.41Å; F317-Y505 HydrophobicContact CB-CE2 3.99Å; F317-Y505 AromaticContact CD2-CE2 3.9Å; F317-Y505 HydrophobicContact CD2-CE2 3.9Å; F317-Y505 HydrophobicContact CG-CE1 4.25Å; F317-Y505 HydrophobicContact CG-CE2 4.09Å; F317-Y505 AromaticContact CG-CZ 3.71Å; F317-Y505 WeakPolarHBondContact CG-OH 3.45Å; F317-Y505 PolarHBondContact N-O 3.43Å; F317-Y505 PolarHBondContact O-N 3.27Å; F317-Y505 VanDerWaalsContact O-N 3.13Å; L319-Y505 HydrophobicContact CB-CD1 4.33Å; L319-Y505 HydrophobicContact CB-CE1 4.06Å; Y505-T525 HydrophobicContact CD2-CG2 4.15Å; Y505-L528 HydrophobicContact CD1-CD1 4.49Å; Y505-L528 HydrophobicContact CE1-CB 4.28Å; Y505-L528 HydrophobicContact CE2-CB 4.31Å; Y505-C529 VanDerWaalsContact OH-CA 3.29Å; Y505-C529 WeakPolarHBondContact OH-CA 3.37Å; Y505-C529 PolarHBondContact OH-N 2.68Å |
| 506 | T | 87.3 | Confident | 79.7 | Confident | 35 Ų | 35 | 46.1 Ų | 46.1 | 22% | 0.215 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 129.5 | 170.5 | -58.6 | 0 | 0 | 0 | 0 | 107.5 | K314 K316 Q508 T525 T564 | K314-T506 HydrophobicContact CB-CG2 4.28Å; K316-T506 HydrophobicContact CG-CG2 4.47Å; T506-Q508 PolarHBondContact O-N 3.14Å; T506-Q508 VanDerWaalsContact O-N 3.16Å; T506-T525 WeakPolarHBondContact O-CG2 3.45Å; T506-T564 VanDerWaalsContact OG1-CG2 3.26Å; T506-T564 WeakPolarHBondContact OG1-CG2 3.38Å |
| 507 | L | 89.8 | Confident | 81.8 | Confident | 8 Ų | 8 | 41 Ų | 41 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | trans | -69.3 | 111.9 | 173.3 | 179.9 | 63 | 0 | 0 | 0 | 108.7 | K315 F317 E509 Q521 T525 C529 | K315-L507 HydrophobicContact CB-CB 4.3Å; K315-L507 HydrophobicContact CD-CD2 4.25Å; K315-L507 PolarHBondContact O-N 2.88Å; F317-L507 HydrophobicContact CD2-CB 4.31Å; F317-L507 HydrophobicContact CE2-CB 3.87Å; F317-L507 HydrophobicContact CE2-CD2 4.21Å; L507-E509 HydrophobicContact CD2-CG 4.05Å; L507-E509 HydrophobicContact CG-CG 3.92Å; L507-E509 PolarHBondContact O-N 2.98Å; L507-Q521 HydrophobicContact CD1-CB 4.21Å; L507-Q521 HydrophobicContact CD1-CG 4.08Å; L507-T525 WeakPolarHBondContact CD1-O 3.49Å; L507-C529 HydrophobicContact CD1-CB 3.96Å | ||
| 508 | Q | 87 | Confident | 84 | Confident | 107 Ų | 107 | 33.6 Ų | 33.6 | 50% | 0.5 | 18% | 0.184 | S | C | . | . | trans | -74.5 | 122.5 | 172.2 | -172.1 | 66.1 | 18.9 | 0 | 0 | 108.3 | T506 L510 Q521 G522 T525 | T506-Q508 PolarHBondContact O-N 3.14Å; T506-Q508 VanDerWaalsContact O-N 3.16Å; Q508-L510 HydrophobicContact CG-CD1 4.05Å; Q508-Q521 CarbonylContact O-C 3.52Å; Q508-Q521 WeakPolarHBondContact O-CA 3.21Å; Q508-Q521 WeakPolarHBondContact O-CB 3.4Å; Q508-G522 PolarHBondContact O-N 3.18Å; Q508-T525 PolarHBondContact N-OG1 3.03Å | ||
| 509 | E | 88.7 | Confident | 85.5 | Confident | 57 Ų | 57 | 31.3 Ų | 31.3 | 27% | 0.266 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 131.7 | 175.7 | -64.2 | -175.2 | 110.4 | 0 | 0 | 108.2 | K315 L507 Y519 Q521 | K315-E509 VanDerWaalsContact NZ-CD 3.31Å; K315-E509 IonicContact NZ-OE1 3.62Å; K315-E509 PolarHBondContact NZ-OE1 3Å; K315-E509 IonicContact NZ-OE2 2.68Å; K315-E509 PolarHBondContact NZ-OE2 2.89Å; L507-E509 HydrophobicContact CD2-CG 4.05Å; L507-E509 HydrophobicContact CG-CG 3.92Å; L507-E509 PolarHBondContact O-N 2.98Å; E509-Y519 HydrophobicContact CB-CE2 4.16Å; E509-Y519 PolarHBondContact OE1-OH 3.33Å; E509-Q521 HydrophobicContact CG-CG 4.28Å |
| 510 | L | 88 | Confident | 86.3 | Confident | 24 Ų | 24 | 30.7 Ų | 30.7 | 13% | 0.126 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 114.7 | 175.6 | -63.1 | 101 | 0 | 0 | 0 | 108.3 | A450 Q508 Y519 R520 | A450-L510 HydrophobicContact CB-CD2 3.89Å; Q508-L510 HydrophobicContact CG-CD1 4.05Å; L510-Y519 WeakPolarHBondContact O-CA 3.37Å; L510-Y519 WeakPolarHBondContact O-CD2 3.44Å; L510-R520 HydrophobicContact CB-CG 4.02Å; L510-R520 HydrophobicContact CD1-CG 4.22Å; L510-R520 PolarHBondContact N-O 3.46Å; L510-R520 PolarHBondContact O-N 2.93Å |
| 511 | S | 88.4 | Confident | 86.7 | Confident | 57 Ų | 57 | 30.5 Ų | 30.5 | 40% | 0.399 | 16% | 0.163 | S | C | . | . | trans | -68.4 | 154.8 | 175 | 51.7 | 0 | 0 | 0 | 0 | 111.9 | S513 R516 | S511-S513 PolarHBondContact O-N 2.87Å; S511-S513 PolarHBondContact OG-OG 2.96Å; S511-R516 WeakPolarHBondContact O-CB 3.12Å; S511-R516 PolarHBondContact O-NE 2.96Å | ||
| 512 | A | 88.2 | Confident | 87 | Confident | 23 Ų | 23 | 31 Ų | 31 | 19% | 0.19 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -71.3 | 64.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111 | P243 R516 F517 | P243-A512 HydrophobicContact CG-CB 4.34Å; A512-R516 CarbonylContact C-O 3.54Å; A512-R516 VanDerWaalsContact C-O 3.26Å; A512-R516 VanDerWaalsContact CA-O 3.31Å; A512-R516 WeakPolarHBondContact CA-O 3.35Å; A512-F517 WeakPolarHBondContact CB-O 3.38Å |
| 513 | S | 86.6 | Confident | 87.3 | Confident | 44 Ų | 44 | 32 Ų | 32 | 31% | 0.308 | 18% | 0.175 | S | C | . | . | trans | -144.4 | 169.9 | -177.8 | 67.7 | 0 | 0 | 0 | 0 | 110.9 | S511 G515 R516 | S511-S513 PolarHBondContact O-N 2.87Å; S511-S513 PolarHBondContact OG-OG 2.96Å; S513-G515 PolarHBondContact O-N 3.2Å; S513-G515 VanDerWaalsContact O-N 3.09Å; S513-R516 PolarHBondContact N-O 3.5Å; S513-R516 WeakPolarHBondContact O-CB 3.44Å; S513-R516 VanDerWaalsContact O-CZ 3.26Å; S513-R516 PolarHBondContact O-N 3.29Å; S513-R516 PolarHBondContact O-NE 3.37Å; S513-R516 PolarHBondContact O-NH2 3.3Å; S513-R516 PolarHBondContact OG-NH2 3.22Å; S513-R516 VanDerWaalsContact OG-NH2 3.17Å | ||
| 514 | E | 85.2 | Confident | 87.4 | Confident | 114 Ų | 114 | 32.6 Ų | 32.6 | 53% | 0.533 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 22.9 | 179.5 | -52.6 | 177.8 | 147.7 | 0 | 0 | 114.4 | S246 R516 | S246-E514 PolarHBondContact OG-O 3.12Å; E514-R516 IonicContact OE2-CZ 3.43Å; E514-R516 IonicContact OE2-NH1 3.85Å; E514-R516 PolarHBondContact OE2-NH1 3.05Å; E514-R516 IonicContact OE2-NH2 3.73Å; E514-R516 PolarHBondContact OE2-NH2 3.35Å |
| 515 | G | 84 | Confident | 87.6 | Confident | 7 Ų | 7 | 31.6 Ų | 31.6 | 7% | 0.072 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99 | -8.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | S246 L451 S513 F517 | S246-G515 VanDerWaalsContact OG-CA 3.28Å; S246-G515 WeakPolarHBondContact OG-CA 3.38Å; L451-G515 VanDerWaalsContact CD2-C 3.47Å; S513-G515 PolarHBondContact O-N 3.2Å; S513-G515 VanDerWaalsContact O-N 3.09Å; G515-F517 PolarHBondContact O-N 2.9Å |
| 516 | R | 89.4 | Confident | 87.7 | Confident | 17 Ų | 17 | 31.3 Ų | 31.3 | 6% | 0.064 | 17% | 0.174 | C | C | . | . | trans | -69.1 | 121.5 | 168.7 | -62.6 | 177.1 | -68.8 | -86.7 | -0.2 | 108.3 | P243 S449 L451 D455 S511 A512 S513 E514 | P243-R516 WeakPolarHBondContact CG-O 3.31Å; S449-R516 PolarHBondContact O-NH1 3.46Å; L451-R516 HydrophobicContact CD2-CB 4.35Å; L451-R516 HydrophobicContact CD2-CG 3.55Å; D455-R516 WeakPolarHBondContact OD1-CA 3.49Å; S511-R516 WeakPolarHBondContact O-CB 3.12Å; S511-R516 PolarHBondContact O-NE 2.96Å; A512-R516 CarbonylContact C-O 3.54Å; A512-R516 VanDerWaalsContact C-O 3.26Å; A512-R516 VanDerWaalsContact CA-O 3.31Å; A512-R516 WeakPolarHBondContact CA-O 3.35Å; S513-R516 PolarHBondContact N-O 3.5Å; S513-R516 WeakPolarHBondContact O-CB 3.44Å; S513-R516 VanDerWaalsContact O-CZ 3.26Å; S513-R516 PolarHBondContact O-N 3.29Å; S513-R516 PolarHBondContact O-NE 3.37Å; S513-R516 PolarHBondContact O-NH2 3.3Å; S513-R516 PolarHBondContact OG-NH2 3.22Å; S513-R516 VanDerWaalsContact OG-NH2 3.17Å; E514-R516 IonicContact OE2-CZ 3.43Å; E514-R516 IonicContact OE2-NH1 3.85Å; E514-R516 PolarHBondContact OE2-NH1 3.05Å; E514-R516 IonicContact OE2-NH2 3.73Å; E514-R516 PolarHBondContact OE2-NH2 3.35Å | ||
| 517 | F | 84.8 | Confident | 87.8 | Confident | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.009 | 17% | 0.173 | C | C | . | . | trans | -75.6 | -37.1 | -173.7 | 70.9 | -78.8 | 0 | 0 | 0 | 111.3 | W242 P243 W355 L454 D455 H458 A512 G515 | W242-F517 HydrophobicContact CD2-CD2 4.35Å; W242-F517 HydrophobicContact CE3-CB 3.88Å; W242-F517 AromaticContact CE3-CD2 3.61Å; W242-F517 HydrophobicContact CE3-CD2 3.61Å; W242-F517 HydrophobicContact CE3-CG 4.21Å; W242-F517 AromaticContact CH2-CD2 3.96Å; W242-F517 HydrophobicContact CH2-CD2 3.96Å; W242-F517 HydrophobicContact CH2-CE2 4.32Å; W242-F517 HydrophobicContact CZ3-CB 4.34Å; W242-F517 AromaticContact CZ3-CD2 3.43Å; W242-F517 HydrophobicContact CZ3-CD2 3.43Å; W242-F517 VanDerWaalsContact CZ3-CD2 3.43Å; W242-F517 HydrophobicContact CZ3-CE2 4.18Å; W242-F517 HydrophobicContact CZ3-CG 4.27Å; W242-F517 WeakPolarHBondContact CZ3-O 3.5Å; P243-F517 WeakPolarHBondContact CD-O 3.26Å; W355-F517 HydrophobicContact CH2-CZ 4.28Å; W355-F517 HydrophobicContact CZ2-CE2 4.46Å; W355-F517 HydrophobicContact CZ2-CZ 4.11Å; L454-F517 HydrophobicContact CB-CE1 3.89Å; L454-F517 HydrophobicContact CB-CZ 4.17Å; L454-F517 WeakPolarHBondContact O-CE1 3.5Å; D455-F517 HydrophobicContact CB-CD1 4.13Å; D455-F517 HydrophobicContact CB-CE1 4.45Å; D455-F517 WeakPolarHBondContact OD1-CD1 3.39Å; D455-F517 PolarHBondContact OD1-N 2.96Å; D455-F517 VanDerWaalsContact OD1-N 3.14Å; H458-F517 HydrophobicContact CB-CD1 3.78Å; H458-F517 HydrophobicContact CB-CD2 4.43Å; H458-F517 HydrophobicContact CB-CE1 3.91Å; H458-F517 HydrophobicContact CB-CG 4.07Å; H458-F517 HydrophobicContact CB-CZ 4.31Å; H458-F517 AromaticContact CD2-CG 3.73Å; H458-F517 AromaticContact CG-CD1 3.95Å; H458-F517 AromaticContact CG-CD2 3.91Å; H458-F517 AromaticContact CG-CG 3.7Å; H458-F517 AromaticContact ND1-CD2 3.86Å; A512-F517 WeakPolarHBondContact CB-O 3.38Å; G515-F517 PolarHBondContact O-N 2.9Å | ||
| 518 | F | 87.3 | Confident | 87.9 | Confident | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.018 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -124.3 | 156.9 | -177.2 | 72.8 | -70.1 | 0 | 0 | 0 | 112.6 | I208 W242 E352 L454 R520 | I208-F518 HydrophobicContact CD1-CD1 4.37Å; I208-F518 HydrophobicContact CD1-CD2 3.73Å; I208-F518 HydrophobicContact CD1-CE1 4.37Å; I208-F518 HydrophobicContact CD1-CE2 3.71Å; I208-F518 HydrophobicContact CD1-CG 4.06Å; I208-F518 HydrophobicContact CD1-CZ 4.04Å; I208-F518 HydrophobicContact CG1-CB 4.23Å; I208-F518 HydrophobicContact CG1-CD2 3.76Å; I208-F518 HydrophobicContact CG1-CE2 4.24Å; I208-F518 HydrophobicContact CG1-CG 4.02Å; W242-F518 HydrophobicContact CH2-CB 4.05Å; W242-F518 HydrophobicContact CZ3-CB 3.56Å; E352-F518 HydrophobicContact CG-CE2 3.97Å; E352-F518 HydrophobicContact CG-CZ 3.91Å; E352-F518 VanDerWaalsContact OE1-CE2 3.22Å; E352-F518 WeakPolarHBondContact OE1-CE2 3.24Å; E352-F518 WeakPolarHBondContact OE1-CZ 3.18Å; L454-F518 HydrophobicContact CB-CE1 4.41Å; L454-F518 HydrophobicContact CD2-CE1 4.29Å; L454-F518 HydrophobicContact CD2-CZ 4.13Å; F518-R520 HydrophobicContact CD2-CB 4.14Å; F518-R520 HydrophobicContact CE2-CB 3.66Å; F518-R520 HydrophobicContact CE2-CG 4.34Å; F518-R520 HydrophobicContact CZ-CB 4.2Å; F518-R520 HydrophobicContact CZ-CG 4.45Å |
| 519 | Y | 89.4 | Confident | 88.1 | Confident | 38 Ų | 38 | 28.5 Ų | 28.5 | 15% | 0.149 | 16% | 0.16 | C | C | . | . | trans | -73.2 | 135.6 | 170.3 | 164.9 | -87.7 | 0 | 0 | 0 | 110.3 | S205 C206 R207 E509 L510 Q521 | S205-Y519 WeakPolarHBondContact OG-CB 3.26Å; C206-Y519 PolarHBondContact O-N 2.99Å; R207-Y519 HydrophobicContact CG-CD1 4.17Å; E509-Y519 HydrophobicContact CB-CE2 4.16Å; E509-Y519 PolarHBondContact OE1-OH 3.33Å; L510-Y519 WeakPolarHBondContact O-CA 3.37Å; L510-Y519 WeakPolarHBondContact O-CD2 3.44Å; Y519-Q521 HydrophobicContact CE1-CG 4.42Å; Y519-Q521 WeakPolarHBondContact OH-CG 3.39Å; Y519-Q521 PolarHBondContact OH-NE2 3.13Å | ||
| 520 | R | 88.9 | Confident | 88.3 | Confident | 8 Ų | 8 | 32.2 Ų | 32.2 | 3% | 0.03 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 159.1 | 176.1 | 60.9 | -174.4 | 177.2 | -99.3 | 4.8 | 111.7 | A450 D455 L510 F518 | A450-R520 PolarHBondContact O-NH2 3.27Å; D455-R520 IonicContact OD1-CZ 2.95Å; D455-R520 IonicContact OD1-NH1 2.69Å; D455-R520 PolarHBondContact OD1-NH1 3.06Å; D455-R520 IonicContact OD1-NH2 3.13Å; D455-R520 IonicContact OD2-CZ 3.82Å; D455-R520 VanDerWaalsContact OD2-CZ 3.22Å; D455-R520 IonicContact OD2-NH1 3.38Å; D455-R520 PolarHBondContact OD2-NH1 2.84Å; D455-R520 VanDerWaalsContact OD2-NH1 3.08Å; D455-R520 IonicContact OD2-NH2 2.83Å; D455-R520 PolarHBondContact OD2-NH2 3.26Å; L510-R520 HydrophobicContact CB-CG 4.02Å; L510-R520 HydrophobicContact CD1-CG 4.22Å; L510-R520 PolarHBondContact N-O 3.46Å; L510-R520 PolarHBondContact O-N 2.93Å; F518-R520 HydrophobicContact CD2-CB 4.14Å; F518-R520 HydrophobicContact CE2-CB 3.66Å; F518-R520 HydrophobicContact CE2-CG 4.34Å; F518-R520 HydrophobicContact CZ-CB 4.2Å; F518-R520 HydrophobicContact CZ-CG 4.45Å |
| 521 | Q | 88.8 | Confident | 88.6 | Confident | 38 Ų | 38 | 31.9 Ų | 31.9 | 18% | 0.178 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 172.6 | 170.5 | -69.9 | 169.5 | -17.2 | 0 | 0 | 110.3 | R406 L507 Q508 E509 Y519 | R406-Q521 PolarHBondContact NH1-O 3.46Å; L507-Q521 HydrophobicContact CD1-CB 4.21Å; L507-Q521 HydrophobicContact CD1-CG 4.08Å; Q508-Q521 CarbonylContact O-C 3.52Å; Q508-Q521 WeakPolarHBondContact O-CA 3.21Å; Q508-Q521 WeakPolarHBondContact O-CB 3.4Å; E509-Q521 HydrophobicContact CG-CG 4.28Å; Y519-Q521 HydrophobicContact CE1-CG 4.42Å; Y519-Q521 WeakPolarHBondContact OH-CG 3.39Å; Y519-Q521 PolarHBondContact OH-NE2 3.13Å |
| 522 | G | 86.6 | Confident | 88.9 | Confident | 12 Ų | 12 | 36.2 Ų | 36.2 | 12% | 0.124 | 19% | 0.187 | C | C | . | . | trans | -61.2 | 154 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | R406 Q508 G526 | R406-G522 PolarHBondContact NH1-O 3.25Å; Q508-G522 PolarHBondContact O-N 3.18Å; G522-G526 WeakPolarHBondContact O-CA 3.38Å; G522-G526 PolarHBondContact O-N 2.86Å | ||
| 523 | V | 86.8 | Confident | 89.2 | Confident | 32 Ų | 32 | 39.5 Ų | 39.5 | 19% | 0.194 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.1 | -59.9 | -178.1 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | C346 R406 Y527 | C346-V523 HydrophobicContact CB-CG1 4.33Å; R406-V523 HydrophobicContact CB-CG2 4.01Å; R406-V523 HydrophobicContact CG-CG2 3.8Å; V523-Y527 VanDerWaalsContact O-CB 3.26Å; V523-Y527 WeakPolarHBondContact O-CB 3.22Å; V523-Y527 PolarHBondContact O-N 2.96Å; V523-Y527 VanDerWaalsContact O-N 3.07Å |
| 524 | A | 87.4 | Confident | 89.5 | Confident | 12 Ų | 12 | 39.9 Ų | 39.9 | 10% | 0.099 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.9 | -48.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | C346 G526 Y527 L528 | C346-A524 HydrophobicContact CB-CB 4.41Å; A524-G526 PolarHBondContact O-N 3.01Å; A524-Y527 PolarHBondContact O-N 3.29Å; A524-L528 WeakPolarHBondContact O-CB 3.44Å; A524-L528 VanDerWaalsContact O-CG 3.27Å; A524-L528 WeakPolarHBondContact O-CG 3.5Å; A524-L528 PolarHBondContact O-N 3.29Å |
| 525 | T | 89.3 | Confident | 89.9 | Confident | 15 Ų | 15 | 37.7 Ų | 37.7 | 9% | 0.092 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.6 | -35.8 | -174.6 | 61 | 0 | 0 | 0 | 0 | 112.4 | Y505 T506 L507 Q508 C529 | Y505-T525 HydrophobicContact CD2-CG2 4.15Å; T506-T525 WeakPolarHBondContact O-CG2 3.45Å; L507-T525 WeakPolarHBondContact CD1-O 3.49Å; Q508-T525 PolarHBondContact N-OG1 3.03Å; T525-C529 WeakPolarHBondContact O-CB 3.3Å; T525-C529 PolarHBondContact O-N 2.79Å |
| 526 | G | 89.3 | Confident | 90.3 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 4% | 0.041 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.9 | -42.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | G522 A524 C529 Q530 | G522-G526 WeakPolarHBondContact O-CA 3.38Å; G522-G526 PolarHBondContact O-N 2.86Å; A524-G526 PolarHBondContact O-N 3.01Å; G526-C529 PolarHBondContact O-N 3.2Å; G526-Q530 WeakPolarHBondContact O-CG 3.45Å; G526-Q530 PolarHBondContact O-N 3.08Å |
| 527 | Y | 90.5 | Very high | 90.3 | Very high | 51 Ų | 51 | 39.5 Ų | 39.5 | 20% | 0.2 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61 | -52.2 | 173.3 | 172.3 | -112.5 | 0 | 0 | 0 | 111.7 | C346 P347 V523 A524 C529 Q530 L531 V537 | C346-Y527 HydrophobicContact CB-CD1 3.81Å; C346-Y527 HydrophobicContact CB-CG 4.23Å; C346-Y527 VanDerWaalsContact SG-CD1 3.59Å; P347-Y527 HydrophobicContact CG-CD2 4.01Å; P347-Y527 HydrophobicContact CG-CE2 3.93Å; V523-Y527 VanDerWaalsContact O-CB 3.26Å; V523-Y527 WeakPolarHBondContact O-CB 3.22Å; V523-Y527 PolarHBondContact O-N 2.96Å; V523-Y527 VanDerWaalsContact O-N 3.07Å; A524-Y527 PolarHBondContact O-N 3.29Å; Y527-C529 VanDerWaalsContact C-N 3.27Å; Y527-C529 PolarHBondContact O-N 3.07Å; Y527-Q530 WeakPolarHBondContact O-CB 3.43Å; Y527-Q530 PolarHBondContact O-N 3.16Å; Y527-L531 HydrophobicContact CE1-CD1 4.07Å; Y527-L531 HydrophobicContact CE2-CD2 4.01Å; Y527-V537 HydrophobicContact CE1-CG2 4.02Å |
| 528 | L | 91.2 | Very high | 90.4 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.7 | -38.7 | 178.3 | -69.8 | 176.1 | 0 | 0 | 0 | 111.9 | N304 L319 F344 Y505 A524 Q530 L531 | N304-L528 PolarHBondContact ND2-O 2.81Å; L319-L528 HydrophobicContact CD2-CD1 4.45Å; L319-L528 HydrophobicContact CD2-CD2 4.02Å; F344-L528 HydrophobicContact CD1-CD2 4.06Å; F344-L528 HydrophobicContact CD2-CD1 3.91Å; F344-L528 HydrophobicContact CD2-CD2 4.28Å; F344-L528 HydrophobicContact CE1-CD2 4.25Å; F344-L528 HydrophobicContact CE2-CD1 3.9Å; F344-L528 HydrophobicContact CE2-CD2 4.33Å; F344-L528 HydrophobicContact CG-CD2 4.13Å; F344-L528 HydrophobicContact CZ-CD2 4.39Å; Y505-L528 HydrophobicContact CD1-CD1 4.49Å; Y505-L528 HydrophobicContact CE1-CB 4.28Å; Y505-L528 HydrophobicContact CE2-CB 4.31Å; A524-L528 WeakPolarHBondContact O-CB 3.44Å; A524-L528 VanDerWaalsContact O-CG 3.27Å; A524-L528 WeakPolarHBondContact O-CG 3.5Å; A524-L528 PolarHBondContact O-N 3.29Å; L528-Q530 PolarHBondContact O-N 2.94Å; L528-L531 HydrophobicContact CD2-CD1 4.02Å; L528-L531 PolarHBondContact O-N 3.12Å |
| 529 | C | 91.3 | Very high | 90.3 | Very high | 37 Ų | 37 | 40.6 Ų | 40.6 | 25% | 0.25 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.6 | -22 | 178.4 | -171.1 | 0 | 0 | 0 | 0 | 113.7 | Y505 L507 T525 G526 Y527 | Y505-C529 VanDerWaalsContact OH-CA 3.29Å; Y505-C529 WeakPolarHBondContact OH-CA 3.37Å; Y505-C529 PolarHBondContact OH-N 2.68Å; L507-C529 HydrophobicContact CD1-CB 3.96Å; T525-C529 WeakPolarHBondContact O-CB 3.3Å; T525-C529 PolarHBondContact O-N 2.79Å; G526-C529 PolarHBondContact O-N 3.2Å; Y527-C529 VanDerWaalsContact C-N 3.27Å; Y527-C529 PolarHBondContact O-N 3.07Å |
| 530 | Q | 92.3 | Very high | 89.9 | Confident | 134 Ų | 134 | 38.8 Ų | 38.8 | 63% | 0.626 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -85.8 | -19.2 | 178.9 | -68 | 169.2 | 14.7 | 0 | 0 | 113 | G526 Y527 L528 | G526-Q530 WeakPolarHBondContact O-CG 3.45Å; G526-Q530 PolarHBondContact O-N 3.08Å; Y527-Q530 WeakPolarHBondContact O-CB 3.43Å; Y527-Q530 PolarHBondContact O-N 3.16Å; L528-Q530 PolarHBondContact O-N 2.94Å |
| 531 | L | 93.8 | Very high | 89.5 | Confident | 18 Ų | 18 | 39 Ų | 39 | 9% | 0.094 | 22% | 0.219 | C | C | . | . | trans | -73.7 | 137.9 | -176.9 | -57 | 178.8 | 0 | 0 | 0 | 111.7 | I301 N304 Y527 L528 D535 V537 | I301-L531 HydrophobicContact CD1-CD1 4.01Å; I301-L531 HydrophobicContact CG1-CB 3.95Å; I301-L531 HydrophobicContact CG1-CD1 4.19Å; N304-L531 PolarHBondContact ND2-O 2.9Å; Y527-L531 HydrophobicContact CE1-CD1 4.07Å; Y527-L531 HydrophobicContact CE2-CD2 4.01Å; L528-L531 HydrophobicContact CD2-CD1 4.02Å; L528-L531 PolarHBondContact O-N 3.12Å; L531-D535 WeakPolarHBondContact CA-OD2 3.42Å; L531-D535 HydrophobicContact CB-CB 4.43Å; L531-D535 HydrophobicContact CD2-CB 4.32Å; L531-V537 HydrophobicContact CD1-CB 4.11Å; L531-V537 HydrophobicContact CD1-CG2 4.23Å | ||
| 532 | K | 95.4 | Very high | 88.9 | Confident | 148 Ų | 148 | 40.5 Ų | 40.5 | 64% | 0.643 | 22% | 0.224 | S | C | * | . | trans | -111.5 | 160.3 | -178.4 | -63.2 | 178.8 | -176.1 | 178.5 | 0 | 110.9 | I301 G534 D535 | I301-K532 WeakPolarHBondContact CB-O 3.34Å; K532-G534 PolarHBondContact O-N 3.1Å; K532-D535 PolarHBondContact N-OD2 3.11Å; K532-D535 VanDerWaalsContact O-CB 3.3Å; K532-D535 WeakPolarHBondContact O-CB 3.4Å; K532-D535 PolarHBondContact O-N 2.88Å | ||
| 533 | P | 95.3 | Very high | 88.1 | Confident | 92 Ų | 92 | 43.5 Ų | 43.5 | 60% | 0.597 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51 | 130.7 | 172 | -27.8 | 36.3 | 0 | 0 | 0 | 112.2 | I301 L302 | I301-P533 CarbonylContact O-C 3.52Å; I301-P533 VanDerWaalsContact O-CA 3.3Å; I301-P533 WeakPolarHBondContact O-CA 3.48Å; L302-P533 WeakPolarHBondContact O-CB 3.16Å |
| 534 | G | 92.4 | Very high | 87.1 | Confident | 52 Ų | 52 | 45.7 Ų | 45.7 | 54% | 0.536 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.3 | -22 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | I301 K532 | I301-G534 PolarHBondContact O-N 3.49Å; K532-G534 PolarHBondContact O-N 3.1Å |
| 535 | D | 94.5 | Very high | 86.1 | Confident | 68 Ų | 68 | 47 Ų | 47 | 36% | 0.364 | 27% | 0.271 | S | S | . | . | trans | -64.5 | 153 | 176.7 | -69.6 | -19.9 | 0 | 0 | 0 | 111.2 | T300 I301 L531 K532 | T300-D535 CarbonylContact C-O 3.42Å; T300-D535 WeakPolarHBondContact CA-O 3.25Å; I301-D535 HydrophobicContact CG1-CB 4.09Å; I301-D535 WeakPolarHBondContact CG1-O 3.3Å; I301-D535 PolarHBondContact N-O 2.87Å; L531-D535 WeakPolarHBondContact CA-OD2 3.42Å; L531-D535 HydrophobicContact CB-CB 4.43Å; L531-D535 HydrophobicContact CD2-CB 4.32Å; K532-D535 PolarHBondContact N-OD2 3.11Å; K532-D535 VanDerWaalsContact O-CB 3.3Å; K532-D535 WeakPolarHBondContact O-CB 3.4Å; K532-D535 PolarHBondContact O-N 2.88Å | ||
| 536 | Q | 91.8 | Very high | 85.3 | Confident | 61 Ų | 61 | 49.9 Ų | 49.9 | 29% | 0.285 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 140.6 | 176 | -61.8 | -61.7 | -49.2 | 0 | 0 | 110.4 | A299 T300 L329 | A299-Q536 WeakPolarHBondContact O-CA 3.43Å; T300-Q536 PolarHBondContact OG1-NE2 2.84Å; T300-Q536 PolarHBondContact OG1-OE1 2.97Å; L329-Q536 HydrophobicContact CD1-CG 4.09Å |
| 537 | V | 88.5 | Confident | 84.9 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 134 | 172.9 | 67.1 | 0 | 0 | 0 | 0 | 111 | Q298 A299 I301 L321 F344 Y527 L531 T539 | Q298-V537 WeakPolarHBondContact CA-O 3.29Å; A299-V537 HydrophobicContact CB-CG1 4.04Å; A299-V537 PolarHBondContact N-O 3.43Å; A299-V537 PolarHBondContact O-N 3.39Å; I301-V537 HydrophobicContact CD1-CB 4.29Å; I301-V537 HydrophobicContact CD1-CG1 3.78Å; L321-V537 HydrophobicContact CD1-CG1 4.48Å; L321-V537 HydrophobicContact CD2-CG1 4.21Å; F344-V537 HydrophobicContact CD1-CB 4.49Å; F344-V537 HydrophobicContact CD1-CG1 4.03Å; F344-V537 HydrophobicContact CD1-CG2 3.61Å; F344-V537 HydrophobicContact CE1-CG1 3.88Å; F344-V537 HydrophobicContact CE1-CG2 4.29Å; Y527-V537 HydrophobicContact CE1-CG2 4.02Å; L531-V537 HydrophobicContact CD1-CB 4.11Å; L531-V537 HydrophobicContact CD1-CG2 4.23Å; V537-T539 HydrophobicContact CG1-CG2 4.1Å; V537-T539 HydrophobicContact CG2-CG2 4.42Å |
| 538 | T | 87.4 | Confident | 84.6 | Confident | 29 Ų | 29 | 49.7 Ų | 49.7 | 18% | 0.178 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 127.1 | 178.1 | -57.1 | 0 | 0 | 0 | 0 | 110.6 | L296 Q298 I345 | L296-T538 HydrophobicContact CB-CG2 4.38Å; L296-T538 HydrophobicContact CD2-CG2 4.25Å; Q298-T538 PolarHBondContact NE2-OG1 3.32Å; Q298-T538 PolarHBondContact OE1-OG1 2.78Å; I345-T538 HydrophobicContact CB-CG2 4.38Å; I345-T538 HydrophobicContact CG1-CG2 3.97Å; I345-T538 PolarHBondContact N-O 2.93Å |
| 539 | T | 84.4 | Confident | 84.3 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 163.7 | -173.8 | 57.2 | 0 | 0 | 0 | 0 | 114.4 | L296 F297 L342 C343 F344 V537 | L296-T539 WeakPolarHBondContact CA-O 3.47Å; F297-T539 VanDerWaalsContact CD1-O 3.26Å; F297-T539 WeakPolarHBondContact CD1-O 3.37Å; F297-T539 WeakPolarHBondContact CE2-OG1 3.33Å; F297-T539 WeakPolarHBondContact CZ-OG1 3.34Å; F297-T539 PolarHBondContact N-O 2.71Å; F297-T539 PolarHBondContact O-N 3.14Å; L342-T539 HydrophobicContact CD2-CG2 3.78Å; L342-T539 HydrophobicContact CG-CG2 4.1Å; C343-T539 CarbonylContact O-C 3.55Å; C343-T539 WeakPolarHBondContact O-CA 3.03Å; C343-T539 WeakPolarHBondContact O-CB 3.39Å; F344-T539 HydrophobicContact CD1-CG2 3.14Å; F344-T539 HydrophobicContact CE1-CG2 3.42Å; F344-T539 VanDerWaalsContact CE1-CG2 3.42Å; F344-T539 HydrophobicContact CG-CG2 4.06Å; V537-T539 HydrophobicContact CG1-CG2 4.1Å; V537-T539 HydrophobicContact CG2-CG2 4.42Å |
| 540 | F | 82.1 | Confident | 84 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 159.3 | 167.9 | 63.9 | -98.2 | 0 | 0 | 0 | 112.3 | Y289 Q292 L296 L342 C343 I345 I480 | Y289-F540 HydrophobicContact CD2-CD1 4.27Å; Y289-F540 AromaticContact CD2-CE1 3.79Å; Y289-F540 HydrophobicContact CD2-CE1 3.79Å; Y289-F540 AromaticContact CG-CE1 3.75Å; Y289-F540 HydrophobicContact CG-CE1 3.75Å; Y289-F540 HydrophobicContact CG-CZ 4.28Å; Q292-F540 VanDerWaalsContact CA-CE2 3.44Å; Q292-F540 HydrophobicContact CB-CD2 3.79Å; Q292-F540 HydrophobicContact CB-CE2 3.71Å; Q292-F540 HydrophobicContact CB-CG 4.32Å; Q292-F540 HydrophobicContact CB-CZ 4.1Å; Q292-F540 HydrophobicContact CG-CB 4.16Å; Q292-F540 HydrophobicContact CG-CD1 4.48Å; Q292-F540 HydrophobicContact CG-CD2 3.76Å; Q292-F540 HydrophobicContact CG-CE2 4.19Å; Q292-F540 HydrophobicContact CG-CG 3.9Å; L296-F540 HydrophobicContact CD2-CB 4.08Å; L296-F540 HydrophobicContact CD2-CD1 3.6Å; L296-F540 HydrophobicContact CD2-CE1 4.5Å; L296-F540 HydrophobicContact CD2-CG 4.27Å; L342-F540 WeakPolarHBondContact CD1-O 3.32Å; C343-F540 HydrophobicContact CB-CD1 4.03Å; C343-F540 HydrophobicContact CB-CD2 3.66Å; C343-F540 HydrophobicContact CB-CE1 3.82Å; C343-F540 HydrophobicContact CB-CE2 3.38Å; C343-F540 HydrophobicContact CB-CG 4Å; C343-F540 HydrophobicContact CB-CZ 3.51Å; C343-F540 WeakPolarHBondContact CB-O 3.31Å; C343-F540 PolarHBondContact N-O 2.71Å; C343-F540 PolarHBondContact O-N 3.36Å; I345-F540 HydrophobicContact CD1-CD1 4.08Å; I345-F540 HydrophobicContact CD1-CE1 3.78Å; I480-F540 HydrophobicContact CD1-CD1 4.5Å; I480-F540 HydrophobicContact CD1-CE1 3.27Å; I480-F540 HydrophobicContact CD1-CE2 4.46Å; I480-F540 HydrophobicContact CD1-CZ 3.25Å |
| 541 | L | 80 | Confident | 83.5 | Confident | 13 Ų | 13 | 47.1 Ų | 47.1 | 7% | 0.068 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 129.8 | 172.2 | -72.7 | 176.9 | 0 | 0 | 0 | 111.5 | A293 L332 C334 D340 L342 I485 | A293-L541 WeakPolarHBondContact CA-O 3.3Å; A293-L541 WeakPolarHBondContact CB-O 3.41Å; A293-L541 PolarHBondContact N-O 3.32Å; L332-L541 HydrophobicContact CD1-CD1 3.97Å; L332-L541 HydrophobicContact CD1-CD2 4.09Å; L332-L541 HydrophobicContact CD1-CG 3.81Å; C334-L541 WeakPolarHBondContact SG-CD1 3.48Å; D340-L541 HydrophobicContact CB-CD2 4.45Å; L342-L541 HydrophobicContact CD1-CD2 4.31Å; I485-L541 HydrophobicContact CD1-CD2 4.41Å |
| 542 | K | 76.6 | Confident | 83.1 | Confident | 69 Ų | 69 | 50.5 Ų | 50.5 | 30% | 0.3 | 31% | 0.313 | S | S | . | . | B | Isolated β-bridge | trans | -71.7 | 150.4 | 168 | -171.6 | 177.3 | 176 | 179.6 | 0 | 110.2 | S341 P482 A544 | S341-K542 WeakPolarHBondContact O-CB 3.47Å; S341-K542 PolarHBondContact O-N 3.47Å; P482-K542 HydrophobicContact CB-CD 4.19Å; K542-A544 PolarHBondContact O-N 2.69Å |
| 543 | E | 68.9 | Low | 82.4 | Confident | 75 Ų | 75 | 45.8 Ų | 45.8 | 35% | 0.35 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -48 | 131.4 | 170.3 | -69.8 | -168.3 | 169.7 | 0 | 0 | 112.1 | K31 G291 A293 G545 | K31-E543 IonicContact NZ-OE1 2.87Å; K31-E543 PolarHBondContact NZ-OE1 3.14Å; K31-E543 IonicContact NZ-OE2 2.67Å; K31-E543 PolarHBondContact NZ-OE2 3Å; G291-E543 PolarHBondContact O-N 2.82Å; A293-E543 HydrophobicContact CB-CB 4.35Å; A293-E543 HydrophobicContact CB-CG 3.96Å; E543-G545 PolarHBondContact O-N 2.79Å |
| 544 | A | 65.9 | Low | 81.8 | Confident | 77 Ų | 77 | 46.5 Ų | 46.5 | 64% | 0.636 | 29% | 0.29 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 123.7 | -174 | 0 | 0 | 0 | 0 | 0 | 112.3 | K542 | K542-A544 PolarHBondContact O-N 2.69Š|
| 545 | G | 67.6 | Low | 81.5 | Confident | 39 Ų | 39 | 44.8 Ų | 44.8 | 40% | 0.402 | 27% | 0.269 | S | S | . | . | trans | -83 | 178 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E543 F547 | E543-G545 PolarHBondContact O-N 2.79Å; G545-F547 VanDerWaalsContact C-N 3.33Å | ||
| 546 | T | 71.9 | Confident | 81.2 | Confident | 76 Ų | 76 | 43.4 Ų | 43.4 | 47% | 0.466 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -85.2 | -2.2 | 176.2 | 50.2 | 0 | 0 | 0 | 0 | 114.4 | R548 | T546-R548 PolarHBondContact O-N 3.29Š|
| 547 | F | 82.1 | Confident | 81.1 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.009 | 27% | 0.265 | C | S | . | . | trans | -81 | 82.4 | -175.8 | -162.4 | -90.3 | 0 | 0 | 0 | 110.5 | G545 P568 Y569 F572 Y629 C631 I685 D687 | G545-F547 VanDerWaalsContact C-N 3.33Å; F547-P568 HydrophobicContact CD1-CB 4.24Å; F547-P568 HydrophobicContact CE1-CB 3.56Å; F547-P568 HydrophobicContact CE1-CG 4.26Å; F547-P568 HydrophobicContact CZ-CB 4.44Å; F547-Y569 HydrophobicContact CE1-CD1 4.46Å; F547-Y569 AromaticContact CE1-CE1 3.86Å; F547-Y569 HydrophobicContact CE1-CE1 3.86Å; F547-Y569 HydrophobicContact CE2-CE1 4.47Å; F547-Y569 HydrophobicContact CZ-CD1 4.38Å; F547-Y569 AromaticContact CZ-CE1 3.4Å; F547-Y569 HydrophobicContact CZ-CE1 3.4Å; F547-Y569 AromaticContact CZ-CZ 3.75Å; F547-F572 HydrophobicContact CD1-CE2 4.01Å; F547-F572 AromaticContact CD1-CZ 3.59Å; F547-F572 HydrophobicContact CD1-CZ 3.59Å; F547-F572 AromaticContact CE1-CE2 3.7Å; F547-F572 HydrophobicContact CE1-CE2 3.7Å; F547-F572 AromaticContact CE1-CZ 3.72Å; F547-F572 HydrophobicContact CE1-CZ 3.72Å; F547-Y629 HydrophobicContact CD2-CD1 4.14Å; F547-Y629 HydrophobicContact CE1-CD1 4.45Å; F547-Y629 AromaticContact CE2-CD1 3.87Å; F547-Y629 HydrophobicContact CE2-CD1 3.87Å; F547-Y629 HydrophobicContact CZ-CD1 4.06Å; F547-C631 HydrophobicContact CE2-CB 4.38Å; F547-C631 HydrophobicContact CZ-CB 3.9Å; F547-I685 HydrophobicContact CB-CG2 4.49Å; F547-I685 HydrophobicContact CD2-CG2 3.74Å; F547-I685 HydrophobicContact CE2-CG2 4.49Å; F547-I685 HydrophobicContact CG-CG2 4.48Å; F547-D687 HydrophobicContact CB-CB 4.23Å; F547-D687 HydrophobicContact CD1-CB 4.27Å; F547-D687 HydrophobicContact CD2-CB 3.29Å; F547-D687 HydrophobicContact CE1-CB 4.47Å; F547-D687 HydrophobicContact CE2-CB 3.51Å; F547-D687 HydrophobicContact CG-CB 3.69Å; F547-D687 HydrophobicContact CZ-CB 4.09Å | ||
| 548 | R | 83.1 | Confident | 81.2 | Confident | 49 Ų | 49 | 44.3 Ų | 44.3 | 19% | 0.185 | 27% | 0.271 | C | S | . | . | trans | -137.4 | 152.9 | -175.3 | -67.9 | -65.8 | -159.4 | -113.7 | -16.6 | 110.9 | P338 G339 D340 T546 Y629 | P338-R548 WeakPolarHBondContact O-CD 3.44Å; P338-R548 PolarHBondContact O-NH1 2.59Å; G339-R548 PolarHBondContact O-NH1 3.05Å; G339-R548 VanDerWaalsContact O-NH1 3.15Å; D340-R548 IonicContact OD1-CZ 2.7Å; D340-R548 IonicContact OD1-NH1 2.61Å; D340-R548 PolarHBondContact OD1-NH1 3.02Å; D340-R548 IonicContact OD1-NH2 3.3Å; D340-R548 PolarHBondContact OD1-NH2 2.94Å; D340-R548 IonicContact OD2-NH2 3.85Å; T546-R548 PolarHBondContact O-N 3.29Å; R548-Y629 WeakPolarHBondContact O-CE1 3.21Å; R548-Y629 VanDerWaalsContact O-CZ 3.26Å; R548-Y629 PolarHBondContact O-OH 3.39Å | ||
| 549 | L | 84.6 | Confident | 81.4 | Confident | 29 Ų | 29 | 45.7 Ų | 45.7 | 15% | 0.152 | 28% | 0.276 | C | S | . | . | trans | -55.7 | 151.3 | 167.5 | -76.2 | 173.8 | 0 | 0 | 0 | 111.8 | I557 F572 I576 | L549-I557 HydrophobicContact CD2-CD1 4.33Å; L549-F572 HydrophobicContact CD1-CB 3.95Å; L549-F572 HydrophobicContact CD1-CD1 4.46Å; L549-F572 HydrophobicContact CD1-CG 4.19Å; L549-F572 HydrophobicContact CD2-CB 3.98Å; L549-F572 HydrophobicContact CD2-CD2 3.8Å; L549-F572 HydrophobicContact CD2-CE2 4.5Å; L549-F572 HydrophobicContact CD2-CG 3.97Å; L549-F572 HydrophobicContact CG-CB 3.96Å; L549-F572 HydrophobicContact CG-CD1 4.1Å; L549-F572 HydrophobicContact CG-CD2 3.94Å; L549-F572 HydrophobicContact CG-CE2 4.46Å; L549-F572 HydrophobicContact CG-CG 3.74Å; L549-I576 HydrophobicContact CD1-CG2 3.68Å | ||
| 550 | P | 85.3 | Confident | 81.7 | Confident | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.032 | 28% | 0.277 | C | S | . | . | trans | -63.6 | 145.8 | 171.3 | 28.4 | -33.5 | 0 | 0 | 0 | 110.9 | N552 T555 I557 | P550-N552 PolarHBondContact O-N 2.61Å; P550-T555 HydrophobicContact CB-CG2 4.28Å; P550-T555 HydrophobicContact CG-CG2 4.41Å; P550-I557 HydrophobicContact CG-CG2 4.04Å | ||
| 551 | G | 82.7 | Confident | 82 | Confident | 87 Ų | 87 | 46.7 Ų | 46.7 | 90% | 0.897 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -64.7 | -25.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 552 | N | 84.2 | Confident | 82.1 | Confident | 89 Ų | 89 | 47.7 Ų | 47.7 | 48% | 0.476 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -101.4 | 112.9 | 167 | 179.2 | 1.2 | 0 | 0 | 0 | 109 | P550 H554 T555 | P550-N552 PolarHBondContact O-N 2.61Å; N552-H554 PolarHBondContact O-N 3.13Å; N552-H554 WeakPolarHBondContact OD1-CB 3.47Å; N552-H554 PolarHBondContact OD1-N 2.97Å; N552-H554 PolarHBondContact OD1-ND1 2.78Å; N552-T555 WeakPolarHBondContact O-CB 3.25Å; N552-T555 PolarHBondContact O-N 3.42Å; N552-T555 VanDerWaalsContact O-N 3.1Å; N552-T555 PolarHBondContact O-OG1 3.43Å |
| 553 | L | 82.3 | Confident | 82.4 | Confident | 49 Ų | 49 | 46.4 Ų | 46.4 | 26% | 0.257 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -17.2 | -179 | -60.7 | 179.2 | 0 | 0 | 0 | 114.1 | T555 I576 E579 F583 | L553-T555 PolarHBondContact O-N 3.23Å; L553-I576 HydrophobicContact CD1-CG2 4.01Å; L553-I576 HydrophobicContact CD2-CG2 3.93Å; L553-E579 HydrophobicContact CD1-CG 4.19Å; L553-F583 HydrophobicContact CB-CE1 4.38Å; L553-F583 HydrophobicContact CB-CE2 4Å; L553-F583 HydrophobicContact CB-CZ 3.42Å; L553-F583 VanDerWaalsContact CB-CZ 3.42Å; L553-F583 HydrophobicContact CD1-CE2 4.35Å; L553-F583 HydrophobicContact CD1-CZ 3.95Å; L553-F583 HydrophobicContact CG-CZ 4.32Å |
| 554 | H | 81.4 | Confident | 83.1 | Confident | 107 Ų | 107 | 43.5 Ų | 43.5 | 50% | 0.495 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -4.3 | 171.6 | -60.5 | 78.8 | 0 | 0 | 0 | 112.9 | N552 P556 I588 | N552-H554 PolarHBondContact O-N 3.13Å; N552-H554 WeakPolarHBondContact OD1-CB 3.47Å; N552-H554 PolarHBondContact OD1-N 2.97Å; N552-H554 PolarHBondContact OD1-ND1 2.78Å; H554-P556 WeakPolarHBondContact O-CD 3.43Å; H554-I588 VanDerWaalsContact CD2-CD1 3.41Å; H554-I588 WeakPolarHBondContact CD2-CD1 3.37Å |
| 555 | T | 86.8 | Confident | 83.9 | Confident | 15 Ų | 15 | 39.8 Ų | 39.8 | 9% | 0.092 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -65.7 | 125.2 | 175.3 | -58 | 0 | 0 | 0 | 0 | 109.1 | P550 N552 L553 I557 N625 R627 | P550-T555 HydrophobicContact CB-CG2 4.28Å; P550-T555 HydrophobicContact CG-CG2 4.41Å; N552-T555 WeakPolarHBondContact O-CB 3.25Å; N552-T555 PolarHBondContact O-N 3.42Å; N552-T555 VanDerWaalsContact O-N 3.1Å; N552-T555 PolarHBondContact O-OG1 3.43Å; L553-T555 PolarHBondContact O-N 3.23Å; T555-I557 WeakPolarHBondContact O-CG2 3.33Å; T555-I557 PolarHBondContact O-N 3.3Å; T555-N625 HydrophobicContact CG2-CB 4.19Å; T555-N625 WeakPolarHBondContact CG2-O 3.47Å; T555-R627 HydrophobicContact CG2-CG 4.09Å |
| 556 | P | 87.3 | Confident | 84.7 | Confident | 40 Ų | 40 | 41.3 Ų | 41.3 | 26% | 0.26 | 26% | 0.258 | S | S | . | . | trans | -62.6 | 129.5 | 178.1 | -20.2 | 30.7 | 0 | 0 | 0 | 111.3 | H554 L619 A626 R627 | H554-P556 WeakPolarHBondContact O-CD 3.43Å; P556-L619 HydrophobicContact CB-CD1 3.71Å; P556-L619 HydrophobicContact CG-CD1 4.29Å; P556-A626 HydrophobicContact CB-CB 4.19Å; P556-A626 CarbonylContact O-C 3.53Å; P556-A626 VanDerWaalsContact O-CA 3.29Å; P556-A626 WeakPolarHBondContact O-CA 3.43Å; P556-R627 PolarHBondContact O-N 3.49Å | ||
| 557 | I | 89.4 | Confident | 85.2 | Confident | 58 Ų | 58 | 38 Ų | 38 | 30% | 0.297 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 140.7 | -179.3 | 61 | 175.7 | 0 | 0 | 0 | 111.4 | L549 P550 T555 M559 R627 Y629 | L549-I557 HydrophobicContact CD2-CD1 4.33Å; P550-I557 HydrophobicContact CG-CG2 4.04Å; T555-I557 WeakPolarHBondContact O-CG2 3.33Å; T555-I557 PolarHBondContact O-N 3.3Å; I557-M559 HydrophobicContact CD1-CE 3.92Å; I557-M559 HydrophobicContact CD1-CG 4.4Å; I557-M559 HydrophobicContact CD1-SD 4.08Å; I557-R627 CarbonylContact C-O 3.45Å; I557-R627 WeakPolarHBondContact CA-O 3.41Å; I557-R627 HydrophobicContact CG2-CB 4.47Å; I557-Y629 HydrophobicContact CG2-CE2 4.07Å |
| 558 | V | 90.9 | Very high | 85.2 | Confident | 21 Ų | 21 | 38.3 Ų | 38.3 | 13% | 0.127 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 118.8 | 168.1 | -178.9 | 0 | 0 | 0 | 0 | 106.6 | I560 L616 L619 R627 V628 Y629 | V558-I560 HydrophobicContact CG1-CD1 4.13Å; V558-I560 HydrophobicContact CG1-CG1 4.13Å; V558-L616 HydrophobicContact CG1-CD2 4.16Å; V558-L616 HydrophobicContact CG2-CD2 3.97Å; V558-L619 HydrophobicContact CG2-CD2 3.59Å; V558-R627 PolarHBondContact N-O 2.99Å; V558-V628 HydrophobicContact CB-CG2 4.26Å; V558-V628 CarbonylContact O-C 3.47Å; V558-V628 WeakPolarHBondContact O-CA 3.21Å; V558-Y629 PolarHBondContact O-N 2.89Å |
| 559 | M | 91.2 | Very high | 85.2 | Confident | 58 Ų | 58 | 36.3 Ų | 36.3 | 29% | 0.286 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 123 | -179.9 | -65.3 | -173.3 | -69.2 | 0 | 0 | 109.8 | I557 Y569 F572 L573 Y629 | I557-M559 HydrophobicContact CD1-CE 3.92Å; I557-M559 HydrophobicContact CD1-CG 4.4Å; I557-M559 HydrophobicContact CD1-SD 4.08Å; M559-Y569 HydrophobicContact CB-CD1 3.81Å; M559-Y569 HydrophobicContact CB-CD2 3.96Å; M559-Y569 HydrophobicContact CB-CE1 3.86Å; M559-Y569 HydrophobicContact CB-CE2 4.03Å; M559-Y569 HydrophobicContact CB-CG 3.85Å; M559-Y569 HydrophobicContact CG-CD1 3.78Å; M559-Y569 HydrophobicContact CG-CE1 3.88Å; M559-Y569 HydrophobicContact CG-CG 4.24Å; M559-Y569 HydrophobicContact SD-CD1 3.37Å; M559-Y569 WeakPolarHBondContact SD-CD1 3.4Å; M559-Y569 HydrophobicContact SD-CE1 4.05Å; M559-Y569 HydrophobicContact SD-CG 3.82Å; M559-F572 HydrophobicContact SD-CD2 4.11Å; M559-L573 HydrophobicContact CE-CD2 3.95Å; M559-L573 HydrophobicContact CE-CG 4.2Å; M559-Y629 HydrophobicContact CG-CD2 4.37Å |
| 560 | I | 91.7 | Very high | 85 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 102 | -174.9 | -62.5 | 164.6 | 0 | 0 | 0 | 108.3 | V558 P562 Y569 I605 L609 V628 Y629 V630 C631 I641 F645 | V558-I560 HydrophobicContact CG1-CD1 4.13Å; V558-I560 HydrophobicContact CG1-CG1 4.13Å; I560-P562 VanDerWaalsContact C-CD 3.45Å; I560-P562 WeakPolarHBondContact O-CD 3.41Å; I560-Y569 VanDerWaalsContact C-CE2 3.46Å; I560-Y569 PolarHBondContact O-OH 2.82Å; I560-I605 HydrophobicContact CG2-CG1 4.07Å; I560-L609 HydrophobicContact CD1-CD1 4.16Å; I560-L609 HydrophobicContact CD1-CD2 3.83Å; I560-L609 HydrophobicContact CG1-CD2 4.39Å; I560-V628 HydrophobicContact CD1-CG1 4.14Å; I560-Y629 PolarHBondContact N-O 3.25Å; I560-V630 HydrophobicContact CB-CG1 4.47Å; I560-V630 HydrophobicContact CB-CG2 4.36Å; I560-V630 HydrophobicContact CD1-CG2 4.28Å; I560-V630 HydrophobicContact CG2-CG1 4.35Å; I560-V630 WeakPolarHBondContact O-CA 3.26Å; I560-C631 PolarHBondContact O-N 2.08Å; I560-I641 HydrophobicContact CD1-CG2 4.01Å; I560-I641 HydrophobicContact CG2-CD1 4.15Å; I560-I641 HydrophobicContact CG2-CG1 4.36Å; I560-I641 HydrophobicContact CG2-CG2 4.37Å; I560-F645 HydrophobicContact CD1-CE2 3.41Å; I560-F645 VanDerWaalsContact CD1-CE2 3.41Å; I560-F645 HydrophobicContact CD1-CZ 3.57Å |
| 561 | G | 87.7 | Confident | 84.7 | Confident | 19 Ų | 19 | 37.2 Ų | 37.2 | 20% | 0.196 | 24% | 0.24 | C | C | . | . | trans | -128.8 | 69.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G565 V566 Y569 | G561-G565 VanDerWaalsContact CA-C 3.46Å; G561-V566 WeakPolarHBondContact O-CA 3.34Å; G561-V566 WeakPolarHBondContact O-CB 3.35Å; G561-V566 PolarHBondContact O-N 2.96Å; G561-V566 VanDerWaalsContact O-N 3.11Å; G561-Y569 VanDerWaalsContact CA-CE2 3.48Å | ||
| 562 | P | 83.7 | Confident | 84.7 | Confident | 33 Ų | 33 | 33.1 Ų | 33.1 | 21% | 0.214 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 135.8 | 174.2 | 24.4 | -36 | 0 | 0 | 0 | 112.2 | I560 T564 G565 I605 M637 | I560-P562 VanDerWaalsContact C-CD 3.45Å; I560-P562 WeakPolarHBondContact O-CD 3.41Å; P562-T564 PolarHBondContact O-N 3.18Å; P562-G565 PolarHBondContact O-N 2.77Å; P562-I605 HydrophobicContact CB-CG2 4.3Å; P562-M637 HydrophobicContact CB-CE 4.48Å; P562-M637 HydrophobicContact CB-SD 3.64Å; P562-M637 HydrophobicContact CG-CE 3.25Å; P562-M637 HydrophobicContact CG-CG 3.95Å; P562-M637 HydrophobicContact CG-SD 2.95Å; P562-M637 WeakPolarHBondContact CG-SD 3.29Å |
| 563 | G | 81.7 | Confident | 84.6 | Confident | 43 Ų | 43 | 31.8 Ų | 31.8 | 44% | 0.443 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | 62.3 | -130.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | G565 V566 | G563-G565 PolarHBondContact O-N 3.24Å; G563-V566 WeakPolarHBondContact O-CG1 3.47Å; G563-V566 PolarHBondContact O-N 3.29Å |
| 564 | T | 83.7 | Confident | 84.3 | Confident | 13 Ų | 13 | 32.3 Ų | 32.3 | 8% | 0.08 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -68.8 | -10.6 | 176.7 | 54.3 | 0 | 0 | 0 | 0 | 112.5 | K316 V504 T506 P562 V566 A567 W689 | K316-T564 HydrophobicContact CB-CG2 4.35Å; K316-T564 HydrophobicContact CD-CG2 3.71Å; K316-T564 HydrophobicContact CG-CG2 3.91Å; V504-T564 HydrophobicContact CG1-CG2 3.53Å; T506-T564 VanDerWaalsContact OG1-CG2 3.26Å; T506-T564 WeakPolarHBondContact OG1-CG2 3.38Å; P562-T564 PolarHBondContact O-N 3.18Å; T564-V566 PolarHBondContact O-N 3.4Å; T564-A567 WeakPolarHBondContact O-CB 3.46Å; T564-A567 PolarHBondContact O-N 3.36Å; T564-A567 VanDerWaalsContact O-N 3.14Å; T564-W689 VanDerWaalsContact OG1-CH2 3.31Å; T564-W689 WeakPolarHBondContact OG1-CH2 3.4Å; T564-W689 WeakPolarHBondContact OG1-CZ2 3.44Å |
| 565 | G | 83.5 | Confident | 84 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -67 | -15 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114 | G561 P562 G563 A567 C631 | G561-G565 VanDerWaalsContact CA-C 3.46Å; P562-G565 PolarHBondContact O-N 2.77Å; G563-G565 PolarHBondContact O-N 3.24Å; G565-A567 PolarHBondContact O-N 3.12Å; G565-C631 WeakPolarHBondContact CA-O 3.18Å; G565-C631 WeakPolarHBondContact O-CB 3.49Å |
| 566 | V | 83.7 | Confident | 83.6 | Confident | 71 Ų | 71 | 31.8 Ų | 31.8 | 43% | 0.43 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -64.6 | -23.3 | 172.8 | 75.5 | 0 | 0 | 0 | 0 | 112.2 | G561 G563 T564 Y569 V570 | G561-V566 WeakPolarHBondContact O-CA 3.34Å; G561-V566 WeakPolarHBondContact O-CB 3.35Å; G561-V566 PolarHBondContact O-N 2.96Å; G561-V566 VanDerWaalsContact O-N 3.11Å; G563-V566 WeakPolarHBondContact O-CG1 3.47Å; G563-V566 PolarHBondContact O-N 3.29Å; T564-V566 PolarHBondContact O-N 3.4Å; V566-Y569 WeakPolarHBondContact O-CA 3.44Å; V566-Y569 WeakPolarHBondContact O-CB 3.29Å; V566-Y569 PolarHBondContact O-N 3.1Å; V566-V570 HydrophobicContact CG2-CG2 4.32Å; V566-V570 PolarHBondContact O-N 3.25Å; V566-V570 VanDerWaalsContact O-N 3.14Å |
| 567 | A | 82.6 | Confident | 83.1 | Confident | 7 Ų | 7 | 35.3 Ų | 35.3 | 6% | 0.058 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -49.2 | -66 | -170.1 | 0 | 0 | 0 | 0 | 0 | 111 | H486 V504 T564 G565 Y569 V570 G571 | H486-A567 VanDerWaalsContact CD2-C 3.5Å; H486-A567 PolarHBondContact CD2-O 3.12Å; H486-A567 WeakPolarHBondContact NE2-CA 3.36Å; H486-A567 WeakPolarHBondContact NE2-CB 3.48Å; H486-A567 PolarHBondContact NE2-O 3.31Å; V504-A567 HydrophobicContact CB-CB 4.02Å; V504-A567 HydrophobicContact CG2-CB 3.99Å; T564-A567 WeakPolarHBondContact O-CB 3.46Å; T564-A567 PolarHBondContact O-N 3.36Å; T564-A567 VanDerWaalsContact O-N 3.14Å; G565-A567 PolarHBondContact O-N 3.12Å; A567-Y569 PolarHBondContact O-N 2.66Å; A567-V570 WeakPolarHBondContact O-CB 3.47Å; A567-V570 PolarHBondContact O-N 2.66Å; A567-G571 PolarHBondContact O-N 3.01Å |
| 568 | P | 81.1 | Confident | 82.5 | Confident | 7 Ų | 7 | 36 Ų | 36 | 5% | 0.045 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -51.1 | -30.2 | -179.4 | -31.2 | 37.9 | 0 | 0 | 0 | 115.4 | F547 G571 F572 | F547-P568 HydrophobicContact CD1-CB 4.24Å; F547-P568 HydrophobicContact CE1-CB 3.56Å; F547-P568 HydrophobicContact CE1-CG 4.26Å; F547-P568 HydrophobicContact CZ-CB 4.44Å; P568-G571 PolarHBondContact O-N 3.03Å; P568-F572 WeakPolarHBondContact O-CD1 3.44Å; P568-F572 WeakPolarHBondContact O-CG 3.37Å; P568-F572 PolarHBondContact O-N 3.11Å |
| 569 | Y | 84.6 | Confident | 82.1 | Confident | 7 Ų | 7 | 37.6 Ų | 37.6 | 3% | 0.027 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -74.3 | -32.9 | 178.2 | -51.3 | -43.8 | 0 | 0 | 0 | 113.3 | F547 M559 I560 G561 V566 A567 G571 F572 L573 Y629 V630 C631 | F547-Y569 HydrophobicContact CE1-CD1 4.46Å; F547-Y569 AromaticContact CE1-CE1 3.86Å; F547-Y569 HydrophobicContact CE1-CE1 3.86Å; F547-Y569 HydrophobicContact CE2-CE1 4.47Å; F547-Y569 HydrophobicContact CZ-CD1 4.38Å; F547-Y569 AromaticContact CZ-CE1 3.4Å; F547-Y569 HydrophobicContact CZ-CE1 3.4Å; F547-Y569 AromaticContact CZ-CZ 3.75Å; M559-Y569 HydrophobicContact CB-CD1 3.81Å; M559-Y569 HydrophobicContact CB-CD2 3.96Å; M559-Y569 HydrophobicContact CB-CE1 3.86Å; M559-Y569 HydrophobicContact CB-CE2 4.03Å; M559-Y569 HydrophobicContact CB-CG 3.85Å; M559-Y569 HydrophobicContact CG-CD1 3.78Å; M559-Y569 HydrophobicContact CG-CE1 3.88Å; M559-Y569 HydrophobicContact CG-CG 4.24Å; M559-Y569 HydrophobicContact SD-CD1 3.37Å; M559-Y569 WeakPolarHBondContact SD-CD1 3.4Å; M559-Y569 HydrophobicContact SD-CE1 4.05Å; M559-Y569 HydrophobicContact SD-CG 3.82Å; I560-Y569 VanDerWaalsContact C-CE2 3.46Å; I560-Y569 PolarHBondContact O-OH 2.82Å; G561-Y569 VanDerWaalsContact CA-CE2 3.48Å; V566-Y569 WeakPolarHBondContact O-CA 3.44Å; V566-Y569 WeakPolarHBondContact O-CB 3.29Å; V566-Y569 PolarHBondContact O-N 3.1Å; A567-Y569 PolarHBondContact O-N 2.66Å; Y569-G571 VanDerWaalsContact C-N 3.27Å; Y569-G571 PolarHBondContact O-N 2.85Å; Y569-F572 AromaticContact CD1-CD2 3.91Å; Y569-F572 HydrophobicContact CD1-CD2 3.91Å; Y569-F572 HydrophobicContact CD1-CE2 4.21Å; Y569-F572 HydrophobicContact CE1-CE2 4.42Å; Y569-F572 PolarHBondContact O-N 2.8Å; Y569-L573 WeakPolarHBondContact O-CB 3.33Å; Y569-L573 VanDerWaalsContact O-CG 3.25Å; Y569-L573 WeakPolarHBondContact O-CG 3.4Å; Y569-L573 PolarHBondContact O-N 3.26Å; Y569-Y629 HydrophobicContact CE1-CG 4.36Å; Y569-Y629 WeakPolarHBondContact OH-CB 3.27Å; Y569-Y629 PolarHBondContact OH-O 2.94Å; Y569-Y629 VanDerWaalsContact OH-O 3.08Å; Y569-V630 VanDerWaalsContact OH-C 3.3Å; Y569-V630 WeakPolarHBondContact OH-CA 2.94Å; Y569-V630 PolarHBondContact OH-N 3.03Å; Y569-C631 HydrophobicContact CE2-CB 4.08Å; Y569-C631 WeakPolarHBondContact OH-CB 3.45Å; Y569-C631 PolarHBondContact OH-N 3.18Å; Y569-C631 VanDerWaalsContact OH-N 3.11Å |
| 570 | V | 80.8 | Confident | 81.4 | Confident | 47 Ų | 47 | 36.6 Ų | 36.6 | 29% | 0.285 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.7 | -43.8 | 169.1 | 175.3 | 0 | 0 | 0 | 0 | 109.3 | V566 A567 F572 L573 R574 | V566-V570 HydrophobicContact CG2-CG2 4.32Å; V566-V570 PolarHBondContact O-N 3.25Å; V566-V570 VanDerWaalsContact O-N 3.14Å; A567-V570 WeakPolarHBondContact O-CB 3.47Å; A567-V570 PolarHBondContact O-N 2.66Å; V570-F572 PolarHBondContact O-N 2.57Å; V570-L573 PolarHBondContact O-N 3.06Å; V570-R574 HydrophobicContact CG1-CG 4.31Å; V570-R574 VanDerWaalsContact O-CB 3.32Å; V570-R574 WeakPolarHBondContact O-CB 2.67Å; V570-R574 WeakPolarHBondContact O-CG 3.18Å; V570-R574 PolarHBondContact O-N 3.19Å |
| 571 | G | 78.9 | Confident | 80.8 | Confident | 6 Ų | 6 | 43.2 Ų | 43.2 | 6% | 0.062 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.6 | -43.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A567 P568 Y569 H575 | A567-G571 PolarHBondContact O-N 3.01Å; P568-G571 PolarHBondContact O-N 3.03Å; Y569-G571 VanDerWaalsContact C-N 3.27Å; Y569-G571 PolarHBondContact O-N 2.85Å; G571-H575 WeakPolarHBondContact O-CB 3.06Å; G571-H575 PolarHBondContact O-N 3.18Å |
| 572 | F | 82.5 | Confident | 80.5 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.009 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.6 | -49.4 | 176.1 | -70.1 | -6.3 | 0 | 0 | 0 | 112.9 | P338 F547 L549 M559 P568 Y569 V570 R574 H575 I576 Y629 | P338-F572 HydrophobicContact CB-CD1 3.67Å; P338-F572 HydrophobicContact CB-CE1 4.01Å; F547-F572 HydrophobicContact CD1-CE2 4.01Å; F547-F572 AromaticContact CD1-CZ 3.59Å; F547-F572 HydrophobicContact CD1-CZ 3.59Å; F547-F572 AromaticContact CE1-CE2 3.7Å; F547-F572 HydrophobicContact CE1-CE2 3.7Å; F547-F572 AromaticContact CE1-CZ 3.72Å; F547-F572 HydrophobicContact CE1-CZ 3.72Å; L549-F572 HydrophobicContact CD1-CB 3.95Å; L549-F572 HydrophobicContact CD1-CD1 4.46Å; L549-F572 HydrophobicContact CD1-CG 4.19Å; L549-F572 HydrophobicContact CD2-CB 3.98Å; L549-F572 HydrophobicContact CD2-CD2 3.8Å; L549-F572 HydrophobicContact CD2-CE2 4.5Å; L549-F572 HydrophobicContact CD2-CG 3.97Å; L549-F572 HydrophobicContact CG-CB 3.96Å; L549-F572 HydrophobicContact CG-CD1 4.1Å; L549-F572 HydrophobicContact CG-CD2 3.94Å; L549-F572 HydrophobicContact CG-CE2 4.46Å; L549-F572 HydrophobicContact CG-CG 3.74Å; M559-F572 HydrophobicContact SD-CD2 4.11Å; P568-F572 WeakPolarHBondContact O-CD1 3.44Å; P568-F572 WeakPolarHBondContact O-CG 3.37Å; P568-F572 PolarHBondContact O-N 3.11Å; Y569-F572 AromaticContact CD1-CD2 3.91Å; Y569-F572 HydrophobicContact CD1-CD2 3.91Å; Y569-F572 HydrophobicContact CD1-CE2 4.21Å; Y569-F572 HydrophobicContact CE1-CE2 4.42Å; Y569-F572 PolarHBondContact O-N 2.8Å; V570-F572 PolarHBondContact O-N 2.57Å; F572-R574 VanDerWaalsContact C-N 3.33Å; F572-R574 PolarHBondContact O-N 3.33Å; F572-H575 WeakPolarHBondContact O-CB 3.38Å; F572-H575 PolarHBondContact O-N 2.92Å; F572-I576 WeakPolarHBondContact O-CG1 3.18Å; F572-I576 PolarHBondContact O-N 2.99Å; F572-Y629 HydrophobicContact CE2-CD1 4.28Å; F572-Y629 HydrophobicContact CE2-CE1 4.3Å |
| 573 | L | 81 | Confident | 80.4 | Confident | 60 Ų | 60 | 45.4 Ų | 45.4 | 31% | 0.314 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.5 | -41 | -178.3 | -72.5 | 173.6 | 0 | 0 | 0 | 111.6 | M559 Y569 V570 H575 I576 R577 L580 | M559-L573 HydrophobicContact CE-CD2 3.95Å; M559-L573 HydrophobicContact CE-CG 4.2Å; Y569-L573 WeakPolarHBondContact O-CB 3.33Å; Y569-L573 VanDerWaalsContact O-CG 3.25Å; Y569-L573 WeakPolarHBondContact O-CG 3.4Å; Y569-L573 PolarHBondContact O-N 3.26Å; V570-L573 PolarHBondContact O-N 3.06Å; L573-H575 VanDerWaalsContact C-N 3.34Å; L573-I576 CarbonylContact O-C 3.41Å; L573-I576 PolarHBondContact O-N 3.11Å; L573-R577 PolarHBondContact O-N 3.41Å; L573-L580 HydrophobicContact CD2-CD2 4.1Å |
| 574 | R | 76.3 | Confident | 80.3 | Confident | 60 Ų | 60 | 49.5 Ų | 49.5 | 23% | 0.226 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.9 | -41.7 | 175.4 | -68.9 | -175.7 | -176.4 | 167.8 | -8.1 | 110.4 | L487 E488 L489 D502 V570 F572 I576 R577 | L487-R574 WeakPolarHBondContact O-CD 3.33Å; L487-R574 PolarHBondContact O-NH1 3.47Å; E488-R574 VanDerWaalsContact CG-CZ 3.49Å; E488-R574 VanDerWaalsContact CG-NH2 3.27Å; E488-R574 IonicContact OE1-NH2 3.12Å; L489-R574 HydrophobicContact CB-CB 4.15Å; L489-R574 HydrophobicContact CD1-CB 3.87Å; L489-R574 WeakPolarHBondContact CD1-O 3.09Å; L489-R574 HydrophobicContact CG-CB 4.47Å; D502-R574 IonicContact OD2-CZ 3.49Å; D502-R574 IonicContact OD2-NH1 3.72Å; D502-R574 PolarHBondContact OD2-NH1 3.15Å; D502-R574 IonicContact OD2-NH2 3.73Å; V570-R574 HydrophobicContact CG1-CG 4.31Å; V570-R574 VanDerWaalsContact O-CB 3.32Å; V570-R574 WeakPolarHBondContact O-CB 2.67Å; V570-R574 WeakPolarHBondContact O-CG 3.18Å; V570-R574 PolarHBondContact O-N 3.19Å; F572-R574 VanDerWaalsContact C-N 3.33Å; F572-R574 PolarHBondContact O-N 3.33Å; R574-I576 PolarHBondContact O-N 2.89Å; R574-R577 WeakPolarHBondContact O-CB 3.41Å; R574-R577 PolarHBondContact O-N 2.95Å; R574-R577 VanDerWaalsContact O-N 3.07Å |
| 575 | H | 75.3 | Confident | 80.1 | Confident | 102 Ų | 102 | 57 Ų | 57 | 47% | 0.472 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.1 | -30.5 | 177.1 | -178.2 | 68.2 | 0 | 0 | 0 | 114.3 | P338 G571 F572 L573 | P338-H575 HydrophobicContact CB-CB 4.43Å; P338-H575 HydrophobicContact CG-CB 3.58Å; G571-H575 WeakPolarHBondContact O-CB 3.06Å; G571-H575 PolarHBondContact O-N 3.18Å; F572-H575 WeakPolarHBondContact O-CB 3.38Å; F572-H575 PolarHBondContact O-N 2.92Å; L573-H575 VanDerWaalsContact C-N 3.34Å |
| 576 | I | 78.5 | Confident | 79.9 | Confident | 9 Ų | 9 | 61.4 Ų | 61.4 | 5% | 0.046 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 23.5 | 178.7 | 64.6 | 176.7 | 0 | 0 | 0 | 112.5 | L549 L553 F572 L573 R574 E578 E579 L580 F583 | L549-I576 HydrophobicContact CD1-CG2 3.68Å; L553-I576 HydrophobicContact CD1-CG2 4.01Å; L553-I576 HydrophobicContact CD2-CG2 3.93Å; F572-I576 WeakPolarHBondContact O-CG1 3.18Å; F572-I576 PolarHBondContact O-N 2.99Å; L573-I576 CarbonylContact O-C 3.41Å; L573-I576 PolarHBondContact O-N 3.11Å; R574-I576 PolarHBondContact O-N 2.89Å; I576-E578 VanDerWaalsContact C-N 3.29Å; I576-E578 PolarHBondContact O-N 3.23Å; I576-E579 WeakPolarHBondContact CA-OE2 3.31Å; I576-E579 CarbonylContact O-C 3.58Å; I576-E579 PolarHBondContact O-N 3.01Å; I576-E579 VanDerWaalsContact O-N 3.1Å; I576-E579 VanDerWaalsContact O-OE2 3.08Å; I576-L580 HydrophobicContact CD1-CD2 3.99Å; I576-L580 HydrophobicContact CG1-CD2 3.96Å; I576-L580 HydrophobicContact CG1-CG 4.28Å; I576-L580 WeakPolarHBondContact O-CG 3.27Å; I576-L580 PolarHBondContact O-N 2.82Å; I576-F583 HydrophobicContact CD1-CE2 4.29Å |
| 577 | R | 77.3 | Confident | 79.5 | Confident | 114 Ų | 114 | 60.2 Ų | 60.2 | 43% | 0.43 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.6 | -37.3 | -168.2 | 178.9 | 176.6 | 179.8 | 160.5 | 1.1 | 113.1 | L489 L573 R574 L580 | L489-R577 WeakPolarHBondContact O-CD 3.26Å; L489-R577 PolarHBondContact O-NE 3.39Å; L489-R577 PolarHBondContact O-NH1 3.16Å; L573-R577 PolarHBondContact O-N 3.41Å; R574-R577 WeakPolarHBondContact O-CB 3.41Å; R574-R577 PolarHBondContact O-N 2.95Å; R574-R577 VanDerWaalsContact O-N 3.07Å; R577-L580 WeakPolarHBondContact O-CB 3.41Å; R577-L580 PolarHBondContact O-N 2.9Å |
| 578 | E | 76.5 | Confident | 78.9 | Confident | 72 Ų | 72 | 62.8 Ų | 62.8 | 34% | 0.336 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.5 | -44.8 | 177.4 | -57.2 | -175 | 91.1 | 0 | 0 | 111.6 | S492 S493 I576 L580 E581 | S492-E578 VanDerWaalsContact C-CD 3.5Å; S492-E578 WeakPolarHBondContact CA-OE1 3.33Å; S492-E578 WeakPolarHBondContact CB-OE1 3.37Å; S492-E578 WeakPolarHBondContact OG-CG 3.32Å; S492-E578 PolarHBondContact OG-OE1 3.05Å; S493-E578 WeakPolarHBondContact CA-OE2 3.3Å; S493-E578 PolarHBondContact N-OE2 3.36Å; I576-E578 VanDerWaalsContact C-N 3.29Å; I576-E578 PolarHBondContact O-N 3.23Å; E578-L580 PolarHBondContact O-N 3.04Å; E578-E581 PolarHBondContact O-N 2.83Å |
| 579 | E | 81.7 | Confident | 78.3 | Confident | 55 Ų | 55 | 66 Ų | 66 | 26% | 0.257 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.9 | -21.2 | -178.5 | -57.5 | 92.7 | 147.9 | 0 | 0 | 110.5 | L553 I576 E581 E582 F583 | L553-E579 HydrophobicContact CD1-CG 4.19Å; I576-E579 WeakPolarHBondContact CA-OE2 3.31Å; I576-E579 CarbonylContact O-C 3.58Å; I576-E579 PolarHBondContact O-N 3.01Å; I576-E579 VanDerWaalsContact O-N 3.1Å; I576-E579 VanDerWaalsContact O-OE2 3.08Å; E579-E581 VanDerWaalsContact C-N 3.3Å; E579-E581 PolarHBondContact O-N 2.97Å; E579-E582 PolarHBondContact O-N 3.49Å; E579-F583 HydrophobicContact CB-CD2 4.17Å; E579-F583 HydrophobicContact CB-CE1 4.18Å; E579-F583 HydrophobicContact CB-CE2 3.57Å; E579-F583 HydrophobicContact CB-CZ 3.56Å; E579-F583 HydrophobicContact CG-CZ 4.4Å; E579-F583 WeakPolarHBondContact O-CB 3.3Å; E579-F583 WeakPolarHBondContact O-CD1 3.41Å; E579-F583 VanDerWaalsContact O-CD2 3.29Å; E579-F583 WeakPolarHBondContact O-CD2 3.31Å; E579-F583 WeakPolarHBondContact O-CG 3.46Å; E579-F583 PolarHBondContact O-N 2.82Å |
| 580 | L | 77.3 | Confident | 77.6 | Confident | 38 Ų | 38 | 69.5 Ų | 69.5 | 20% | 0.199 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.3 | -37.8 | 174.9 | -67.7 | -178.5 | 0 | 0 | 0 | 112.7 | L573 I576 R577 E578 F583 H584 L589 | L573-L580 HydrophobicContact CD2-CD2 4.1Å; I576-L580 HydrophobicContact CD1-CD2 3.99Å; I576-L580 HydrophobicContact CG1-CD2 3.96Å; I576-L580 HydrophobicContact CG1-CG 4.28Å; I576-L580 WeakPolarHBondContact O-CG 3.27Å; I576-L580 PolarHBondContact O-N 2.82Å; R577-L580 WeakPolarHBondContact O-CB 3.41Å; R577-L580 PolarHBondContact O-N 2.9Å; E578-L580 PolarHBondContact O-N 3.04Å; L580-F583 PolarHBondContact O-N 2.93Å; L580-H584 WeakPolarHBondContact O-CB 3.42Å; L580-H584 PolarHBondContact O-N 3.14Å; L580-L589 HydrophobicContact CD2-CD2 4.38Å |
| 581 | E | 79.6 | Confident | 77.2 | Confident | 143 Ų | 143 | 73 Ų | 73 | 67% | 0.668 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -67.5 | -41.6 | 178.4 | -67.7 | -173 | 174.2 | 0 | 0 | 111.1 | E578 E579 R585 | E578-E581 PolarHBondContact O-N 2.83Å; E579-E581 VanDerWaalsContact C-N 3.3Å; E579-E581 PolarHBondContact O-N 2.97Å; E581-R585 WeakPolarHBondContact O-CG 3.49Å; E581-R585 PolarHBondContact O-N 3.49Å; E581-R585 VanDerWaalsContact O-N 3.12Å |
| 582 | E | 80.8 | Confident | 77.2 | Confident | 85 Ų | 85 | 80.1 Ų | 80.1 | 40% | 0.397 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.9 | -47.4 | 173.2 | -175.8 | 175.9 | -178 | 0 | 0 | 111.3 | E579 H584 R585 D586 | E579-E582 PolarHBondContact O-N 3.49Å; E582-H584 VanDerWaalsContact C-N 3.28Å; E582-H584 PolarHBondContact O-N 3.34Å; E582-R585 WeakPolarHBondContact O-CB 3.18Å; E582-R585 PolarHBondContact O-N 3.2Å; E582-R585 VanDerWaalsContact O-N 3.12Å; E582-D586 WeakPolarHBondContact O-CB 3.41Å; E582-D586 PolarHBondContact O-N 2.96Å |
| 583 | F | 81.1 | Confident | 77.1 | Confident | 13 Ų | 13 | 82.5 Ų | 82.5 | 6% | 0.057 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.1 | -32.9 | 178.4 | -65.4 | -17.5 | 0 | 0 | 0 | 113.1 | L553 I576 E579 L580 G587 I588 L589 | L553-F583 HydrophobicContact CB-CE1 4.38Å; L553-F583 HydrophobicContact CB-CE2 4Å; L553-F583 HydrophobicContact CB-CZ 3.42Å; L553-F583 VanDerWaalsContact CB-CZ 3.42Å; L553-F583 HydrophobicContact CD1-CE2 4.35Å; L553-F583 HydrophobicContact CD1-CZ 3.95Å; L553-F583 HydrophobicContact CG-CZ 4.32Å; I576-F583 HydrophobicContact CD1-CE2 4.29Å; E579-F583 HydrophobicContact CB-CD2 4.17Å; E579-F583 HydrophobicContact CB-CE1 4.18Å; E579-F583 HydrophobicContact CB-CE2 3.57Å; E579-F583 HydrophobicContact CB-CZ 3.56Å; E579-F583 HydrophobicContact CG-CZ 4.4Å; E579-F583 WeakPolarHBondContact O-CB 3.3Å; E579-F583 WeakPolarHBondContact O-CD1 3.41Å; E579-F583 VanDerWaalsContact O-CD2 3.29Å; E579-F583 WeakPolarHBondContact O-CD2 3.31Å; E579-F583 WeakPolarHBondContact O-CG 3.46Å; E579-F583 PolarHBondContact O-N 2.82Å; L580-F583 PolarHBondContact O-N 2.93Å; F583-G587 CarbonylContact O-C 3.55Å; F583-G587 PolarHBondContact O-N 3.08Å; F583-I588 HydrophobicContact CB-CB 3.95Å; F583-I588 HydrophobicContact CB-CG2 4.28Å; F583-I588 HydrophobicContact CD1-CB 4.3Å; F583-I588 HydrophobicContact CD1-CD1 3.73Å; F583-I588 HydrophobicContact CD1-CG2 4.31Å; F583-I588 HydrophobicContact CE1-CD1 4.27Å; F583-I588 HydrophobicContact CG-CB 4.26Å; F583-I588 HydrophobicContact CG-CG2 4.2Å; F583-I588 PolarHBondContact O-N 3.16Å; F583-L589 HydrophobicContact CB-CB 4.06Å; F583-L589 PolarHBondContact O-N 2.9Å |
| 584 | H | 79.7 | Confident | 77.2 | Confident | 128 Ų | 128 | 83.6 Ų | 83.6 | 59% | 0.593 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -69.2 | -45.1 | 173.3 | -175 | 58.9 | 0 | 0 | 0 | 111.3 | L580 E582 D586 G587 | L580-H584 WeakPolarHBondContact O-CB 3.42Å; L580-H584 PolarHBondContact O-N 3.14Å; E582-H584 VanDerWaalsContact C-N 3.28Å; E582-H584 PolarHBondContact O-N 3.34Å; H584-D586 VanDerWaalsContact C-N 3.31Å; H584-D586 PolarHBondContact O-N 2.87Å; H584-G587 PolarHBondContact O-N 3.49Å |
| 585 | R | 79.7 | Confident | 77.5 | Confident | 172 Ų | 172 | 82.4 Ų | 82.4 | 65% | 0.649 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -59.8 | -41.1 | 174.8 | -72.4 | -169.4 | -48.7 | -102.1 | -1.2 | 112.2 | E581 E582 G587 | E581-R585 WeakPolarHBondContact O-CG 3.49Å; E581-R585 PolarHBondContact O-N 3.49Å; E581-R585 VanDerWaalsContact O-N 3.12Å; E582-R585 WeakPolarHBondContact O-CB 3.18Å; E582-R585 PolarHBondContact O-N 3.2Å; E582-R585 VanDerWaalsContact O-N 3.12Å; R585-G587 PolarHBondContact O-N 3.07Å |
| 586 | D | 80.2 | Confident | 77.9 | Confident | 91 Ų | 91 | 82.3 Ų | 82.3 | 49% | 0.487 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -1.7 | -177.1 | -68 | -3.6 | 0 | 0 | 0 | 112.9 | E582 H584 I588 | E582-D586 WeakPolarHBondContact O-CB 3.41Å; E582-D586 PolarHBondContact O-N 2.96Å; H584-D586 VanDerWaalsContact C-N 3.31Å; H584-D586 PolarHBondContact O-N 2.87Å; D586-I588 HydrophobicContact CB-CD1 3.97Å; D586-I588 HydrophobicContact CB-CG1 4.01Å; D586-I588 PolarHBondContact O-N 3.06Å |
| 587 | G | 73.4 | Confident | 78 | Confident | 47 Ų | 47 | 84.5 Ų | 84.5 | 49% | 0.485 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70 | 13 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | F583 H584 R585 S590 | F583-G587 CarbonylContact O-C 3.55Å; F583-G587 PolarHBondContact O-N 3.08Å; H584-G587 PolarHBondContact O-N 3.49Å; R585-G587 PolarHBondContact O-N 3.07Å; G587-S590 WeakPolarHBondContact O-CB 3.32Å |
| 588 | I | 70.6 | Confident | 78.1 | Confident | 60 Ų | 60 | 85.3 Ų | 85.3 | 31% | 0.308 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -71.1 | -47.7 | 175.3 | -60.9 | 171.9 | 0 | 0 | 0 | 109.5 | H554 F583 D586 S590 | H554-I588 VanDerWaalsContact CD2-CD1 3.41Å; H554-I588 WeakPolarHBondContact CD2-CD1 3.37Å; F583-I588 HydrophobicContact CB-CB 3.95Å; F583-I588 HydrophobicContact CB-CG2 4.28Å; F583-I588 HydrophobicContact CD1-CB 4.3Å; F583-I588 HydrophobicContact CD1-CD1 3.73Å; F583-I588 HydrophobicContact CD1-CG2 4.31Å; F583-I588 HydrophobicContact CE1-CD1 4.27Å; F583-I588 HydrophobicContact CG-CB 4.26Å; F583-I588 HydrophobicContact CG-CG2 4.2Å; F583-I588 PolarHBondContact O-N 3.16Å; D586-I588 HydrophobicContact CB-CD1 3.97Å; D586-I588 HydrophobicContact CB-CG1 4.01Å; D586-I588 PolarHBondContact O-N 3.06Å; I588-S590 PolarHBondContact O-N 3.4Å; I588-S590 VanDerWaalsContact O-N 3.13Å |
| 589 | L | 69.6 | Low | 78.4 | Confident | 75 Ų | 75 | 87.3 Ų | 87.3 | 39% | 0.393 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -82.3 | 84.4 | 168.1 | -174.3 | 74 | 0 | 0 | 0 | 109 | L580 F583 | L580-L589 HydrophobicContact CD2-CD2 4.38Å; F583-L589 HydrophobicContact CB-CB 4.06Å; F583-L589 PolarHBondContact O-N 2.9Å |
| 590 | S | 68.4 | Low | 78.3 | Confident | 81 Ų | 81 | 91.5 Ų | 91.5 | 57% | 0.566 | 47% | 0.47 | S | S | * | . | trans | -99.7 | -24.8 | -171.2 | 49.8 | 0 | 0 | 0 | 0 | 114.9 | G587 I588 | G587-S590 WeakPolarHBondContact O-CB 3.32Å; I588-S590 PolarHBondContact O-N 3.4Å; I588-S590 VanDerWaalsContact O-N 3.13Å | ||
| 591 | H | 72.6 | Confident | 78.7 | Confident | 121 Ų | 121 | 95.1 Ų | 95.1 | 56% | 0.56 | 50% | 0.496 | S | S | * | . | trans | -144 | 127.2 | -171.1 | -60.4 | 79.3 | 0 | 0 | 0 | 111.7 | Y612 | H591-Y612 AromaticContact CD2-CE1 3.87Š| ||
| 592 | L | 79.8 | Confident | 78.9 | Confident | 154 Ų | 154 | 95.9 Ų | 95.9 | 81% | 0.806 | 49% | 0.493 | S | S | * | . | trans | -115.7 | 116.1 | 163 | 175 | 64 | 0 | 0 | 0 | 107.5 | V594 | L592-V594 HydrophobicContact CD1-CG1 4.31Å; L592-V594 HydrophobicContact CG-CG1 4.24Å | ||
| 593 | V | 80.3 | Confident | 79.3 | Confident | 52 Ų | 52 | 93.3 Ų | 93.3 | 32% | 0.315 | 48% | 0.484 | S | S | . | . | trans | -117.8 | 112.7 | -178.9 | -175.6 | 0 | 0 | 0 | 0 | 108.2 | N608 Y612 | V593-N608 HydrophobicContact CG1-CB 3.7Å; V593-N608 WeakPolarHBondContact CG1-ND2 3.43Å; V593-Y612 HydrophobicContact CB-CE2 4.38Å; V593-Y612 HydrophobicContact CG1-CD2 4.35Å; V593-Y612 HydrophobicContact CG1-CE2 3.85Å; V593-Y612 HydrophobicContact CG2-CD2 4.2Å; V593-Y612 HydrophobicContact CG2-CE1 4.28Å; V593-Y612 HydrophobicContact CG2-CE2 3.56Å | ||
| 594 | V | 82.9 | Confident | 79.6 | Confident | 83 Ų | 83 | 98.1 Ų | 98.1 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | trans | -104.3 | 146 | 178.9 | -66.5 | 0 | 0 | 0 | 0 | 110 | L592 F596 N608 | L592-V594 HydrophobicContact CD1-CG1 4.31Å; L592-V594 HydrophobicContact CG-CG1 4.24Å; V594-F596 HydrophobicContact CB-CE2 3.78Å; V594-F596 HydrophobicContact CB-CZ 3.93Å; V594-F596 HydrophobicContact CG2-CD2 4.28Å; V594-F596 HydrophobicContact CG2-CE2 3.43Å; V594-F596 VanDerWaalsContact CG2-CE2 3.43Å; V594-F596 HydrophobicContact CG2-CZ 3.97Å; V594-N608 PolarHBondContact O-ND2 2.99Å | ||
| 595 | A | 82.2 | Confident | 80 | Confident | 36 Ų | 36 | 93.6 Ų | 93.6 | 30% | 0.298 | 48% | 0.482 | S | S | . | . | trans | -129.6 | 120.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | I605 N608 | A595-I605 HydrophobicContact CB-CB 4.29Å; A595-N608 WeakPolarHBondContact CB-ND2 3.49Å | ||
| 596 | F | 84.3 | Confident | 80.4 | Confident | 100 Ų | 100 | 86.8 Ų | 86.8 | 44% | 0.439 | 46% | 0.458 | S | S | . | . | trans | -113.8 | 108.8 | 179.1 | -59 | -74.8 | 0 | 0 | 0 | 109 | V594 K598 E599 C603 | V594-F596 HydrophobicContact CB-CE2 3.78Å; V594-F596 HydrophobicContact CB-CZ 3.93Å; V594-F596 HydrophobicContact CG2-CD2 4.28Å; V594-F596 HydrophobicContact CG2-CE2 3.43Å; V594-F596 VanDerWaalsContact CG2-CE2 3.43Å; V594-F596 HydrophobicContact CG2-CZ 3.97Å; F596-K598 PolarHBondContact O-N 3.26Å; F596-E599 HydrophobicContact CB-CB 3.88Å; F596-E599 HydrophobicContact CB-CG 3.85Å; F596-E599 HydrophobicContact CG-CG 4.42Å; F596-C603 CarbonylContact C-O 3.57Å; F596-C603 VanDerWaalsContact C-O 3.28Å; F596-C603 PolarHBondContact N-O 3.41Å; F596-C603 PolarHBondContact O-N 3.37Å | ||
| 597 | S | 81.1 | Confident | 80.8 | Confident | 54 Ų | 54 | 85.6 Ų | 85.6 | 38% | 0.378 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -8.2 | -178.1 | 59.3 | 0 | 0 | 0 | 0 | 114 | C603 Y604 | S597-C603 PolarHBondContact N-O 2.81Å; S597-Y604 VanDerWaalsContact CB-CE1 3.49Å |
| 598 | K | 78.2 | Confident | 81.7 | Confident | 132 Ų | 132 | 84.7 Ų | 84.7 | 57% | 0.574 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.9 | -8.5 | -177.3 | -61.8 | -173 | -179.2 | -176.1 | 0 | 113.9 | D312 F596 | D312-K598 IonicContact OD1-NZ 3.92Å; D312-K598 PolarHBondContact OD1-NZ 2.98Å; D312-K598 IonicContact OD2-NZ 3.28Å; D312-K598 PolarHBondContact OD2-NZ 3.45Å; F596-K598 PolarHBondContact O-N 3.26Å |
| 599 | E | 82.2 | Confident | 82.7 | Confident | 114 Ų | 114 | 82.3 Ų | 82.3 | 53% | 0.533 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -97.7 | 150.7 | 176.9 | -64 | 178.7 | -165.5 | 0 | 0 | 109 | F596 P601 R602 | F596-E599 HydrophobicContact CB-CB 3.88Å; F596-E599 HydrophobicContact CB-CG 3.85Å; F596-E599 HydrophobicContact CG-CG 4.42Å; E599-P601 CarbonylContact O-C 3.59Å; E599-R602 WeakPolarHBondContact O-CA 3.38Å; E599-R602 PolarHBondContact O-N 2.92Å |
| 600 | E | 80.8 | Confident | 83.9 | Confident | 142 Ų | 142 | 83.5 Ų | 83.5 | 66% | 0.664 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -96.1 | 130.1 | 174.7 | -69.7 | -63 | 164.1 | 0 | 0 | 110.3 | R602 | E600-R602 WeakPolarHBondContact OE1-CG 3.42Å; E600-R602 IonicContact OE1-CZ 2.72Å; E600-R602 IonicContact OE1-NE 3.25Å; E600-R602 PolarHBondContact OE1-NE 3.32Å; E600-R602 VanDerWaalsContact OE1-NE 3.08Å; E600-R602 PolarHBondContact OE2-N 3.48Å |
| 601 | P | 85.2 | Confident | 85 | Confident | 115 Ų | 115 | 82.9 Ų | 82.9 | 75% | 0.747 | 42% | 0.422 | S | S | * | . | S | Bend | cis | -74.8 | 135 | 2.2 | 31.3 | -33.9 | 0 | 0 | 0 | 111.8 | E599 C603 | E599-P601 CarbonylContact O-C 3.59Å; P601-C603 PolarHBondContact O-N 2.9Å; P601-C603 VanDerWaalsContact O-N 3.16Å |
| 602 | R | 85 | Confident | 85.9 | Confident | 159 Ų | 159 | 81 Ų | 81 | 60% | 0.6 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 124.7 | 176.2 | -67.5 | 180 | -168.7 | -164.2 | -5.8 | 110.1 | E599 E600 | E599-R602 WeakPolarHBondContact O-CA 3.38Å; E599-R602 PolarHBondContact O-N 2.92Å; E600-R602 WeakPolarHBondContact OE1-CG 3.42Å; E600-R602 IonicContact OE1-CZ 2.72Å; E600-R602 IonicContact OE1-NE 3.25Å; E600-R602 PolarHBondContact OE1-NE 3.32Å; E600-R602 VanDerWaalsContact OE1-NE 3.08Å; E600-R602 PolarHBondContact OE2-N 3.48Å |
| 603 | C | 87.4 | Confident | 86.4 | Confident | 30 Ų | 30 | 73.7 Ų | 73.7 | 20% | 0.203 | 37% | 0.373 | C | S | . | . | trans | -131.4 | 127.7 | 178.9 | -179.6 | 0 | 0 | 0 | 0 | 109.7 | F596 S597 P601 N608 | F596-C603 CarbonylContact C-O 3.57Å; F596-C603 VanDerWaalsContact C-O 3.28Å; F596-C603 PolarHBondContact N-O 3.41Å; F596-C603 PolarHBondContact O-N 3.37Å; S597-C603 PolarHBondContact N-O 2.81Å; P601-C603 PolarHBondContact O-N 2.9Å; P601-C603 VanDerWaalsContact O-N 3.16Å; C603-N608 VanDerWaalsContact SG-CG 3.56Å; C603-N608 PolarHBondContact SG-OD1 3.49Å | ||
| 604 | Y | 87.2 | Confident | 86.9 | Confident | 114 Ų | 114 | 73.6 Ų | 73.6 | 45% | 0.447 | 37% | 0.373 | S | S | . | . | trans | -100.9 | 157.5 | 170.4 | -65.1 | -84.6 | 0 | 0 | 0 | 110.8 | S597 Q606 D607 N608 | S597-Y604 VanDerWaalsContact CB-CE1 3.49Å; Y604-Q606 VanDerWaalsContact CB-OE1 3.29Å; Y604-Q606 PolarHBondContact O-N 2.88Å; Y604-Q606 VanDerWaalsContact O-N 3.12Å; Y604-D607 WeakPolarHBondContact CB-OD2 3.39Å; Y604-D607 PolarHBondContact N-OD2 3.18Å; Y604-D607 WeakPolarHBondContact O-CB 3.39Å; Y604-D607 PolarHBondContact O-N 2.87Å; Y604-N608 PolarHBondContact O-N 3.26Å | ||
| 605 | I | 88.4 | Confident | 87.2 | Confident | 33 Ų | 33 | 74.5 Ų | 74.5 | 17% | 0.169 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.4 | -28.8 | 177.3 | -168 | 57.9 | 0 | 0 | 0 | 111.4 | I560 P562 A595 D607 N608 L609 I641 | I560-I605 HydrophobicContact CG2-CG1 4.07Å; P562-I605 HydrophobicContact CB-CG2 4.3Å; A595-I605 HydrophobicContact CB-CB 4.29Å; I605-D607 VanDerWaalsContact C-N 3.32Å; I605-D607 PolarHBondContact O-N 3.23Å; I605-N608 HydrophobicContact CD1-CB 4.38Å; I605-N608 PolarHBondContact O-N 3.14Å; I605-L609 WeakPolarHBondContact O-CB 3.31Å; I605-L609 VanDerWaalsContact O-CG 3.24Å; I605-L609 WeakPolarHBondContact O-CG 3.35Å; I605-L609 PolarHBondContact O-N 3.46Å; I605-I641 HydrophobicContact CG2-CD1 3.95Å |
| 606 | Q | 88.8 | Confident | 87.7 | Confident | 29 Ų | 29 | 73.6 Ų | 73.6 | 14% | 0.136 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.4 | -41.1 | 172.5 | -65.8 | 89.4 | -34.8 | 0 | 0 | 112.4 | Y604 L609 R610 Q640 I641 I644 | Y604-Q606 VanDerWaalsContact CB-OE1 3.29Å; Y604-Q606 PolarHBondContact O-N 2.88Å; Y604-Q606 VanDerWaalsContact O-N 3.12Å; Q606-L609 PolarHBondContact O-N 3.21Å; Q606-R610 WeakPolarHBondContact O-CG 3.43Å; Q606-R610 PolarHBondContact O-N 3Å; Q606-R610 VanDerWaalsContact O-N 3.13Å; Q606-R610 PolarHBondContact O-NH1 2.95Å; Q606-Q640 VanDerWaalsContact NE2-OE1 3.12Å; Q606-I641 HydrophobicContact CG-CD1 4.44Å; Q606-I644 HydrophobicContact CB-CD1 3.46Å; Q606-I644 VanDerWaalsContact CB-CD1 3.46Å; Q606-I644 HydrophobicContact CG-CD1 3.2Å |
| 607 | D | 89.6 | Confident | 88 | Confident | 67 Ų | 67 | 68.9 Ų | 68.9 | 36% | 0.358 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -70.3 | -43.9 | -179.2 | -54.4 | -42.3 | 0 | 0 | 0 | 110.3 | Y604 I605 L609 R610 A611 | Y604-D607 WeakPolarHBondContact CB-OD2 3.39Å; Y604-D607 PolarHBondContact N-OD2 3.18Å; Y604-D607 WeakPolarHBondContact O-CB 3.39Å; Y604-D607 PolarHBondContact O-N 2.87Å; I605-D607 VanDerWaalsContact C-N 3.32Å; I605-D607 PolarHBondContact O-N 3.23Å; D607-L609 PolarHBondContact O-N 2.9Å; D607-R610 PolarHBondContact O-N 2.84Å; D607-R610 IonicContact OD1-NH1 2.79Å; D607-R610 PolarHBondContact OD1-NH1 2.78Å; D607-A611 WeakPolarHBondContact O-CB 3.2Å; D607-A611 PolarHBondContact O-N 2.66Å |
| 608 | N | 91 | Very high | 88.4 | Confident | 27 Ų | 27 | 67.8 Ų | 67.8 | 14% | 0.144 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.7 | -44.8 | 173.6 | -77.2 | -19.6 | 0 | 0 | 0 | 112.1 | V593 V594 A595 C603 Y604 I605 R610 A611 Y612 | V593-N608 HydrophobicContact CG1-CB 3.7Å; V593-N608 WeakPolarHBondContact CG1-ND2 3.43Å; V594-N608 PolarHBondContact O-ND2 2.99Å; A595-N608 WeakPolarHBondContact CB-ND2 3.49Å; C603-N608 VanDerWaalsContact SG-CG 3.56Å; C603-N608 PolarHBondContact SG-OD1 3.49Å; Y604-N608 PolarHBondContact O-N 3.26Å; I605-N608 HydrophobicContact CD1-CB 4.38Å; I605-N608 PolarHBondContact O-N 3.14Å; N608-R610 VanDerWaalsContact C-N 3.28Å; N608-R610 PolarHBondContact O-N 3.11Å; N608-A611 PolarHBondContact O-N 3.05Å; N608-Y612 WeakPolarHBondContact O-CD2 3.41Å; N608-Y612 PolarHBondContact O-N 2.86Å |
| 609 | L | 92.9 | Very high | 89 | Confident | 10 Ų | 10 | 63.6 Ų | 63.6 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.2 | -41.7 | 176.2 | -73.7 | 172.2 | 0 | 0 | 0 | 111.6 | I560 I605 Q606 D607 Y612 G613 L616 I641 I644 F645 I648 | I560-L609 HydrophobicContact CD1-CD1 4.16Å; I560-L609 HydrophobicContact CD1-CD2 3.83Å; I560-L609 HydrophobicContact CG1-CD2 4.39Å; I605-L609 WeakPolarHBondContact O-CB 3.31Å; I605-L609 VanDerWaalsContact O-CG 3.24Å; I605-L609 WeakPolarHBondContact O-CG 3.35Å; I605-L609 PolarHBondContact O-N 3.46Å; Q606-L609 PolarHBondContact O-N 3.21Å; D607-L609 PolarHBondContact O-N 2.9Å; L609-Y612 CarbonylContact O-C 3.56Å; L609-G613 PolarHBondContact O-N 3.49Å; L609-G613 VanDerWaalsContact O-N 3.13Å; L609-L616 HydrophobicContact CD2-CD1 3.71Å; L609-I641 HydrophobicContact CD1-CD1 3.65Å; L609-I641 HydrophobicContact CD1-CG2 4.25Å; L609-I644 HydrophobicContact CB-CG2 3.86Å; L609-I644 HydrophobicContact CD1-CG2 4.31Å; L609-F645 HydrophobicContact CD2-CZ 4.2Å; L609-I648 HydrophobicContact CB-CD1 4.14Å; L609-I648 WeakPolarHBondContact O-CD1 3.43Å |
| 610 | R | 93.3 | Very high | 89.4 | Confident | 100 Ų | 100 | 58.3 Ų | 58.3 | 38% | 0.377 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.4 | -40.7 | 175.9 | -68.9 | -175.1 | -164 | 100.1 | -2.6 | 112.4 | Q606 D607 N608 Y612 G613 I644 E647 | Q606-R610 WeakPolarHBondContact O-CG 3.43Å; Q606-R610 PolarHBondContact O-N 3Å; Q606-R610 VanDerWaalsContact O-N 3.13Å; Q606-R610 PolarHBondContact O-NH1 2.95Å; D607-R610 PolarHBondContact O-N 2.84Å; D607-R610 IonicContact OD1-NH1 2.79Å; D607-R610 PolarHBondContact OD1-NH1 2.78Å; N608-R610 VanDerWaalsContact C-N 3.28Å; N608-R610 PolarHBondContact O-N 3.11Å; R610-Y612 VanDerWaalsContact C-N 3.33Å; R610-Y612 PolarHBondContact O-N 2.8Å; R610-G613 PolarHBondContact O-N 3.1Å; R610-G613 VanDerWaalsContact O-N 3.08Å; R610-I644 HydrophobicContact CG-CG2 4.26Å; R610-E647 IonicContact NE-OE1 2.66Å; R610-E647 IonicContact NE-OE2 3.33Å; R610-E647 PolarHBondContact NE-OE2 2.91Å |
| 611 | A | 91.5 | Very high | 89.7 | Confident | 69 Ų | 69 | 52.7 Ų | 52.7 | 57% | 0.57 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -62.5 | -39.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | D607 N608 G613 | D607-A611 WeakPolarHBondContact O-CB 3.2Å; D607-A611 PolarHBondContact O-N 2.66Å; N608-A611 PolarHBondContact O-N 3.05Å; A611-G613 VanDerWaalsContact C-N 3.27Å; A611-G613 PolarHBondContact O-N 3.37Å |
| 612 | Y | 91.8 | Very high | 89.7 | Confident | 82 Ų | 82 | 52.3 Ų | 52.3 | 32% | 0.322 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 12.4 | 174.7 | -74.1 | -90 | 0 | 0 | 0 | 113.5 | H591 V593 N608 L609 R610 Q615 L616 | H591-Y612 AromaticContact CD2-CE1 3.87Å; V593-Y612 HydrophobicContact CB-CE2 4.38Å; V593-Y612 HydrophobicContact CG1-CD2 4.35Å; V593-Y612 HydrophobicContact CG1-CE2 3.85Å; V593-Y612 HydrophobicContact CG2-CD2 4.2Å; V593-Y612 HydrophobicContact CG2-CE1 4.28Å; V593-Y612 HydrophobicContact CG2-CE2 3.56Å; N608-Y612 WeakPolarHBondContact O-CD2 3.41Å; N608-Y612 PolarHBondContact O-N 2.86Å; L609-Y612 CarbonylContact O-C 3.56Å; R610-Y612 VanDerWaalsContact C-N 3.33Å; R610-Y612 PolarHBondContact O-N 2.8Å; Y612-Q615 PolarHBondContact O-N 3.24Å; Y612-Q615 VanDerWaalsContact O-N 3.14Å; Y612-Q615 PolarHBondContact O-OE1 3.33Å; Y612-L616 WeakPolarHBondContact O-CB 3.38Å; Y612-L616 WeakPolarHBondContact O-CG 3.44Å; Y612-L616 PolarHBondContact O-N 3.33Å |
| 613 | G | 91.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -49.5 | -50.9 | -176 | 0 | 0 | 0 | 0 | 0 | 114.4 | L609 R610 A611 Q615 L616 A617 I648 | L609-G613 PolarHBondContact O-N 3.49Å; L609-G613 VanDerWaalsContact O-N 3.13Å; R610-G613 PolarHBondContact O-N 3.1Å; R610-G613 VanDerWaalsContact O-N 3.08Å; A611-G613 VanDerWaalsContact C-N 3.27Å; A611-G613 PolarHBondContact O-N 3.37Å; G613-Q615 PolarHBondContact O-N 2.83Å; G613-L616 PolarHBondContact O-N 3.31Å; G613-A617 VanDerWaalsContact O-CB 3.31Å; G613-A617 WeakPolarHBondContact O-CB 3.32Å; G613-A617 PolarHBondContact O-N 3.26Å; G613-I648 VanDerWaalsContact O-CG2 3.23Å; G613-I648 WeakPolarHBondContact O-CG2 3.49Å |
| 614 | P | 90.4 | Very high | 89.4 | Confident | 50 Ų | 50 | 50.8 Ų | 50.8 | 33% | 0.325 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.3 | -44.7 | 177.5 | -24.1 | 32.9 | 0 | 0 | 0 | 113.7 | S618 I658 | P614-S618 WeakPolarHBondContact O-CB 3.46Å; P614-S618 PolarHBondContact O-N 3.16Å; P614-I658 HydrophobicContact CB-CD1 4.25Å |
| 615 | Q | 89.5 | Confident | 89.4 | Confident | 101 Ų | 101 | 50.3 Ų | 50.3 | 47% | 0.472 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.7 | -43.9 | -179.2 | -63.3 | 86.7 | -23.9 | 0 | 0 | 110.9 | Y612 G613 S618 L619 | Y612-Q615 PolarHBondContact O-N 3.24Å; Y612-Q615 VanDerWaalsContact O-N 3.14Å; Y612-Q615 PolarHBondContact O-OE1 3.33Å; G613-Q615 PolarHBondContact O-N 2.83Å; Q615-S618 PolarHBondContact O-N 3.47Å; Q615-L619 VanDerWaalsContact O-CB 3.26Å; Q615-L619 WeakPolarHBondContact O-CB 3.49Å; Q615-L619 PolarHBondContact O-N 3.38Å |
| 616 | L | 92.2 | Very high | 89.5 | Confident | 18 Ų | 18 | 48.8 Ų | 48.8 | 9% | 0.094 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.4 | -45.6 | 176.9 | -70 | 170.2 | 0 | 0 | 0 | 111.1 | V558 L609 Y612 G613 S618 L619 L620 I648 | V558-L616 HydrophobicContact CG1-CD2 4.16Å; V558-L616 HydrophobicContact CG2-CD2 3.97Å; L609-L616 HydrophobicContact CD2-CD1 3.71Å; Y612-L616 WeakPolarHBondContact O-CB 3.38Å; Y612-L616 WeakPolarHBondContact O-CG 3.44Å; Y612-L616 PolarHBondContact O-N 3.33Å; G613-L616 PolarHBondContact O-N 3.31Å; L616-S618 VanDerWaalsContact C-N 3.33Å; L616-S618 PolarHBondContact O-N 2.87Å; L616-L619 PolarHBondContact O-N 3.41Å; L616-L620 WeakPolarHBondContact O-CB 3.37Å; L616-L620 VanDerWaalsContact O-CG 3.25Å; L616-L620 WeakPolarHBondContact O-CG 3.49Å; L616-L620 PolarHBondContact O-N 3.12Å; L616-I648 HydrophobicContact CB-CG2 4.42Å; L616-I648 HydrophobicContact CD1-CD1 4.21Å |
| 617 | A | 91.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.8 | -44.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G613 T621 I648 H652 | G613-A617 VanDerWaalsContact O-CB 3.31Å; G613-A617 WeakPolarHBondContact O-CB 3.32Å; G613-A617 PolarHBondContact O-N 3.26Å; A617-T621 VanDerWaalsContact O-CB 3.27Å; A617-T621 WeakPolarHBondContact O-CB 2.98Å; A617-T621 WeakPolarHBondContact O-CG2 3.32Å; A617-T621 PolarHBondContact O-N 3.14Å; A617-T621 PolarHBondContact O-OG1 3.31Å; A617-I648 HydrophobicContact CB-CG2 4.09Å; A617-H652 HydrophobicContact CB-CB 3.61Å |
| 618 | S | 89.4 | Confident | 89.9 | Confident | 31 Ų | 31 | 47.4 Ų | 47.4 | 22% | 0.217 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.6 | -52.2 | 174.2 | -175.2 | 0 | 0 | 0 | 0 | 112 | P614 Q615 L616 L620 T621 Q622 | P614-S618 WeakPolarHBondContact O-CB 3.46Å; P614-S618 PolarHBondContact O-N 3.16Å; Q615-S618 PolarHBondContact O-N 3.47Å; L616-S618 VanDerWaalsContact C-N 3.33Å; L616-S618 PolarHBondContact O-N 2.87Å; S618-L620 PolarHBondContact O-N 3.27Å; S618-T621 PolarHBondContact O-N 3.33Å; S618-Q622 VanDerWaalsContact O-CB 3.27Å; S618-Q622 WeakPolarHBondContact O-CB 3.43Å; S618-Q622 WeakPolarHBondContact O-CG 3.44Å; S618-Q622 PolarHBondContact O-N 3.29Å; S618-Q622 VanDerWaalsContact OG-CD 3.25Å; S618-Q622 PolarHBondContact OG-NE2 3.38Å; S618-Q622 PolarHBondContact OG-OE1 3.1Å |
| 619 | L | 89.5 | Confident | 89.9 | Confident | 44 Ų | 44 | 46.1 Ų | 46.1 | 23% | 0.23 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -54 | -51 | 179.9 | -178 | 67.5 | 0 | 0 | 0 | 111.6 | P556 V558 Q615 L616 N623 A626 | P556-L619 HydrophobicContact CB-CD1 3.71Å; P556-L619 HydrophobicContact CG-CD1 4.29Å; V558-L619 HydrophobicContact CG2-CD2 3.59Å; Q615-L619 VanDerWaalsContact O-CB 3.26Å; Q615-L619 WeakPolarHBondContact O-CB 3.49Å; Q615-L619 PolarHBondContact O-N 3.38Å; L616-L619 PolarHBondContact O-N 3.41Å; L619-N623 VanDerWaalsContact O-CB 3.3Å; L619-N623 WeakPolarHBondContact O-CB 3.36Å; L619-N623 PolarHBondContact O-N 2.95Å; L619-N623 VanDerWaalsContact O-N 3.16Å; L619-N623 PolarHBondContact O-ND2 3.15Å; L619-A626 HydrophobicContact CG-CB 4.27Å |
| 620 | L | 91.3 | Very high | 89.7 | Confident | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71.1 | -32.3 | -175.8 | -64 | -172.1 | 0 | 0 | 0 | 112.9 | L616 S618 A626 V628 F645 F674 M678 | L616-L620 WeakPolarHBondContact O-CB 3.37Å; L616-L620 VanDerWaalsContact O-CG 3.25Å; L616-L620 WeakPolarHBondContact O-CG 3.49Å; L616-L620 PolarHBondContact O-N 3.12Å; S618-L620 PolarHBondContact O-N 3.27Å; L620-A626 HydrophobicContact CD2-CB 4.27Å; L620-V628 HydrophobicContact CD1-CG2 4.24Å; L620-V628 HydrophobicContact CD2-CG2 3.68Å; L620-F645 HydrophobicContact CD1-CD1 3.88Å; L620-F645 HydrophobicContact CD1-CE1 3.85Å; L620-F674 HydrophobicContact CB-CE1 4.27Å; L620-F674 WeakPolarHBondContact O-CZ 3.4Å; L620-M678 HydrophobicContact CB-SD 4.47Å; L620-M678 HydrophobicContact CD1-CE 4.39Å; L620-M678 HydrophobicContact CD1-SD 4.16Å; L620-M678 HydrophobicContact CD2-CE 3.75Å; L620-M678 HydrophobicContact CD2-SD 4.43Å |
| 621 | T | 87.6 | Confident | 89.4 | Confident | 24 Ų | 24 | 40.9 Ų | 40.9 | 15% | 0.147 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -92.4 | -28 | -174.5 | 62.4 | 0 | 0 | 0 | 0 | 114.3 | A617 S618 L649 A653 F674 | A617-T621 VanDerWaalsContact O-CB 3.27Å; A617-T621 WeakPolarHBondContact O-CB 2.98Å; A617-T621 WeakPolarHBondContact O-CG2 3.32Å; A617-T621 PolarHBondContact O-N 3.14Å; A617-T621 PolarHBondContact O-OG1 3.31Å; S618-T621 PolarHBondContact O-N 3.33Å; T621-L649 HydrophobicContact CG2-CD2 3.96Å; T621-A653 HydrophobicContact CG2-CB 4.04Å; T621-F674 HydrophobicContact CG2-CZ 4.22Å |
| 622 | Q | 84.9 | Confident | 88.8 | Confident | 107 Ų | 107 | 37.6 Ų | 37.6 | 50% | 0.5 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -90.8 | -27.4 | 178.3 | -61.4 | -176.4 | 3.2 | 0 | 0 | 112.4 | S618 I658 | S618-Q622 VanDerWaalsContact O-CB 3.27Å; S618-Q622 WeakPolarHBondContact O-CB 3.43Å; S618-Q622 WeakPolarHBondContact O-CG 3.44Å; S618-Q622 PolarHBondContact O-N 3.29Å; S618-Q622 VanDerWaalsContact OG-CD 3.25Å; S618-Q622 PolarHBondContact OG-NE2 3.38Å; S618-Q622 PolarHBondContact OG-OE1 3.1Å; Q622-I658 PolarHBondContact NE2-O 3.11Å |
| 623 | N | 83.6 | Confident | 88.1 | Confident | 69 Ų | 69 | 35.2 Ų | 35.2 | 37% | 0.369 | 19% | 0.189 | S | C | . | . | trans | -107.9 | 103.6 | 178.5 | -62.9 | -73 | 0 | 0 | 0 | 111.5 | L619 N625 A626 | L619-N623 VanDerWaalsContact O-CB 3.3Å; L619-N623 WeakPolarHBondContact O-CB 3.36Å; L619-N623 PolarHBondContact O-N 2.95Å; L619-N623 VanDerWaalsContact O-N 3.16Å; L619-N623 PolarHBondContact O-ND2 3.15Å; N623-N625 PolarHBondContact O-N 2.85Å; N623-N625 VanDerWaalsContact O-N 3.12Å; N623-A626 HydrophobicContact CB-CB 3.98Å; N623-A626 WeakPolarHBondContact O-CB 3.37Å; N623-A626 PolarHBondContact O-N 3.47Å; N623-A626 VanDerWaalsContact O-N 3.14Å | ||
| 624 | S | 82.8 | Confident | 86.8 | Confident | 89 Ų | 89 | 36.7 Ų | 36.7 | 62% | 0.622 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -18.1 | 177.9 | 59.3 | 0 | 0 | 0 | 0 | 113.9 | R683 | S624-R683 WeakPolarHBondContact O-CD 3.3Å; S624-R683 PolarHBondContact O-NE 3.32Å |
| 625 | N | 86.9 | Confident | 85.6 | Confident | 104 Ų | 104 | 39.8 Ų | 39.8 | 56% | 0.556 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92 | -14.4 | 178.9 | -67.1 | -22 | 0 | 0 | 0 | 113.4 | T555 N623 R627 | T555-N625 HydrophobicContact CG2-CB 4.19Å; T555-N625 WeakPolarHBondContact CG2-O 3.47Å; N623-N625 PolarHBondContact O-N 2.85Å; N623-N625 VanDerWaalsContact O-N 3.12Å; N625-R627 WeakPolarHBondContact O-CG 3.36Å; N625-R627 PolarHBondContact O-N 3.39Å |
| 626 | A | 90.6 | Very high | 84.6 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -57.7 | 138 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | P556 L619 L620 N623 R683 | P556-A626 HydrophobicContact CB-CB 4.19Å; P556-A626 CarbonylContact O-C 3.53Å; P556-A626 VanDerWaalsContact O-CA 3.29Å; P556-A626 WeakPolarHBondContact O-CA 3.43Å; L619-A626 HydrophobicContact CG-CB 4.27Å; L620-A626 HydrophobicContact CD2-CB 4.27Å; N623-A626 HydrophobicContact CB-CB 3.98Å; N623-A626 WeakPolarHBondContact O-CB 3.37Å; N623-A626 PolarHBondContact O-N 3.47Å; N623-A626 VanDerWaalsContact O-N 3.14Å; A626-R683 WeakPolarHBondContact O-CB 3.31Å | ||
| 627 | R | 92.2 | Very high | 83.9 | Confident | 68 Ų | 68 | 39.9 Ų | 39.9 | 26% | 0.257 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 141.7 | -178.3 | -56.8 | -168.9 | -178.4 | -176.4 | 0.9 | 112 | T555 P556 I557 V558 N625 Y629 R683 | T555-R627 HydrophobicContact CG2-CG 4.09Å; P556-R627 PolarHBondContact O-N 3.49Å; I557-R627 CarbonylContact C-O 3.45Å; I557-R627 WeakPolarHBondContact CA-O 3.41Å; I557-R627 HydrophobicContact CG2-CB 4.47Å; V558-R627 PolarHBondContact N-O 2.99Å; N625-R627 WeakPolarHBondContact O-CG 3.36Å; N625-R627 PolarHBondContact O-N 3.39Å; R627-Y629 HydrophobicContact CB-CD2 4.37Å; R627-Y629 HydrophobicContact CB-CE2 3.75Å; R627-R683 CarbonylContact C-O 3.43Å; R627-R683 WeakPolarHBondContact CA-O 3.31Å; R627-R683 HydrophobicContact CG-CG 4.45Å |
| 628 | V | 93.3 | Very high | 83.3 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 127 | 172 | -177.8 | 0 | 0 | 0 | 0 | 107.3 | V558 I560 L620 V630 F645 M678 R683 Y684 I685 | V558-V628 HydrophobicContact CB-CG2 4.26Å; V558-V628 CarbonylContact O-C 3.47Å; V558-V628 WeakPolarHBondContact O-CA 3.21Å; I560-V628 HydrophobicContact CD1-CG1 4.14Å; L620-V628 HydrophobicContact CD1-CG2 4.24Å; L620-V628 HydrophobicContact CD2-CG2 3.68Å; V628-V630 HydrophobicContact CG1-CG2 3.97Å; V628-F645 HydrophobicContact CG1-CE2 3.86Å; V628-F645 HydrophobicContact CG1-CZ 3.77Å; V628-F645 HydrophobicContact CG2-CE1 4.45Å; V628-F645 HydrophobicContact CG2-CZ 4.25Å; V628-M678 HydrophobicContact CG2-CE 3.99Å; V628-R683 PolarHBondContact N-O 3.21Å; V628-Y684 HydrophobicContact CB-CD2 3.7Å; V628-Y684 HydrophobicContact CB-CE2 4.2Å; V628-Y684 HydrophobicContact CB-CG 4.34Å; V628-Y684 HydrophobicContact CG1-CD2 3.79Å; V628-Y684 HydrophobicContact CG1-CE2 3.76Å; V628-Y684 HydrophobicContact CG2-CD2 4.22Å; V628-Y684 CarbonylContact O-C 3.56Å; V628-Y684 WeakPolarHBondContact O-CA 3.49Å; V628-I685 PolarHBondContact O-N 3.04Å |
| 629 | Y | 91.2 | Very high | 82.8 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 131.4 | 170.5 | -65.6 | -102.6 | 0 | 0 | 0 | 107.4 | F547 R548 I557 V558 M559 I560 Y569 F572 R627 I685 | F547-Y629 HydrophobicContact CD2-CD1 4.14Å; F547-Y629 HydrophobicContact CE1-CD1 4.45Å; F547-Y629 AromaticContact CE2-CD1 3.87Å; F547-Y629 HydrophobicContact CE2-CD1 3.87Å; F547-Y629 HydrophobicContact CZ-CD1 4.06Å; R548-Y629 WeakPolarHBondContact O-CE1 3.21Å; R548-Y629 VanDerWaalsContact O-CZ 3.26Å; R548-Y629 PolarHBondContact O-OH 3.39Å; I557-Y629 HydrophobicContact CG2-CE2 4.07Å; V558-Y629 PolarHBondContact O-N 2.89Å; M559-Y629 HydrophobicContact CG-CD2 4.37Å; I560-Y629 PolarHBondContact N-O 3.25Å; Y569-Y629 HydrophobicContact CE1-CG 4.36Å; Y569-Y629 WeakPolarHBondContact OH-CB 3.27Å; Y569-Y629 PolarHBondContact OH-O 2.94Å; Y569-Y629 VanDerWaalsContact OH-O 3.08Å; F572-Y629 HydrophobicContact CE2-CD1 4.28Å; F572-Y629 HydrophobicContact CE2-CE1 4.3Å; R627-Y629 HydrophobicContact CB-CD2 4.37Å; R627-Y629 HydrophobicContact CB-CE2 3.75Å; Y629-I685 WeakPolarHBondContact CA-O 3.31Å; Y629-I685 HydrophobicContact CD1-CB 4.02Å; Y629-I685 HydrophobicContact CD1-CD1 4.06Å; Y629-I685 HydrophobicContact CD1-CG2 4.26Å; Y629-I685 HydrophobicContact CE1-CB 4.21Å; Y629-I685 HydrophobicContact CE1-CD1 3.4Å; Y629-I685 VanDerWaalsContact CE1-CD1 3.4Å; Y629-I685 HydrophobicContact CE1-CG1 4.4Å; Y629-I685 HydrophobicContact CE1-CG2 4.33Å; Y629-I685 HydrophobicContact CE2-CD1 4.18Å; Y629-I685 VanDerWaalsContact CZ-CD1 3.46Å |
| 630 | V | 89.7 | Confident | 82.6 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 126.5 | 172.4 | -171.6 | 0 | 0 | 0 | 0 | 108.3 | I560 Y569 V628 M638 I641 Y684 I685 L686 D687 | I560-V630 HydrophobicContact CB-CG1 4.47Å; I560-V630 HydrophobicContact CB-CG2 4.36Å; I560-V630 HydrophobicContact CD1-CG2 4.28Å; I560-V630 HydrophobicContact CG2-CG1 4.35Å; I560-V630 WeakPolarHBondContact O-CA 3.26Å; Y569-V630 VanDerWaalsContact OH-C 3.3Å; Y569-V630 WeakPolarHBondContact OH-CA 2.94Å; Y569-V630 PolarHBondContact OH-N 3.03Å; V628-V630 HydrophobicContact CG1-CG2 3.97Å; V630-M638 HydrophobicContact CG1-CG 4.06Å; V630-I641 HydrophobicContact CG1-CB 4.43Å; V630-I641 HydrophobicContact CG1-CG1 4.47Å; V630-I641 HydrophobicContact CG1-CG2 4.16Å; V630-I641 HydrophobicContact CG2-CG2 4.01Å; V630-Y684 HydrophobicContact CG2-CE1 4.2Å; V630-Y684 HydrophobicContact CG2-CE2 4.33Å; V630-I685 PolarHBondContact N-O 3.36Å; V630-L686 HydrophobicContact CB-CD2 3.69Å; V630-L686 HydrophobicContact CG1-CD2 4.41Å; V630-L686 HydrophobicContact CG2-CD2 4.16Å; V630-L686 WeakPolarHBondContact O-CA 3.42Å; V630-D687 PolarHBondContact O-N 3.34Å |
| 631 | C | 85.7 | Confident | 82.6 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 126.2 | 179.2 | -174.2 | 0 | 0 | 0 | 0 | 111.5 | F547 I560 G565 Y569 D687 | F547-C631 HydrophobicContact CE2-CB 4.38Å; F547-C631 HydrophobicContact CZ-CB 3.9Å; I560-C631 PolarHBondContact O-N 2.08Å; G565-C631 WeakPolarHBondContact CA-O 3.18Å; G565-C631 WeakPolarHBondContact O-CB 3.49Å; Y569-C631 HydrophobicContact CE2-CB 4.08Å; Y569-C631 WeakPolarHBondContact OH-CB 3.45Å; Y569-C631 PolarHBondContact OH-N 3.18Å; Y569-C631 VanDerWaalsContact OH-N 3.11Å; C631-D687 WeakPolarHBondContact CA-O 2.9Å |
| 632 | G | 79.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 148.6 | -152.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | V634 D687 Y688 W689 | G632-V634 PolarHBondContact O-N 3.01Å; G632-D687 PolarHBondContact N-O 3.25Å; G632-Y688 WeakPolarHBondContact O-CA 3.37Å; G632-Y688 WeakPolarHBondContact O-CB 3.39Å; G632-W689 VanDerWaalsContact CA-CH2 3.49Å |
| 633 | D | 76.4 | Confident | 82.8 | Confident | 32 Ų | 32 | 46.4 Ų | 46.4 | 17% | 0.171 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 125.5 | -175.4 | 172 | 9.3 | 0 | 0 | 0 | 113 | E635 N636 M637 M638 | D633-E635 PolarHBondContact OD1-N 2.92Å; D633-N636 PolarHBondContact OD2-ND2 3.3Å; D633-M637 HydrophobicContact CB-CB 4.47Å; D633-M637 WeakPolarHBondContact O-CB 3.47Å; D633-M637 PolarHBondContact O-N 3.11Å; D633-M638 PolarHBondContact O-N 2.91Å; D633-M638 VanDerWaalsContact O-N 3.13Å |
| 634 | V | 65.4 | Low | 83.3 | Confident | 30 Ų | 30 | 43.4 Ų | 43.4 | 18% | 0.182 | 22% | 0.224 | C | C | . | . | I | π-helix | trans | -67.3 | -51 | 177.1 | -173.2 | 0 | 0 | 0 | 0 | 113.5 | G632 N636 M638 Y688 W689 I690 | G632-V634 PolarHBondContact O-N 3.01Å; V634-N636 VanDerWaalsContact C-N 3.33Å; V634-N636 PolarHBondContact O-N 3.38Å; V634-M638 HydrophobicContact CB-CE 3.69Å; V634-M638 HydrophobicContact CG1-CE 3.87Å; V634-M638 HydrophobicContact CG2-CE 3.38Å; V634-Y688 HydrophobicContact CB-CD2 4.36Å; V634-Y688 VanDerWaalsContact CG2-CB 3.49Å; V634-Y688 HydrophobicContact CG2-CD1 4.26Å; V634-Y688 HydrophobicContact CG2-CD2 2.89Å; V634-Y688 HydrophobicContact CG2-CE2 3.47Å; V634-Y688 VanDerWaalsContact CG2-CE2 3.47Å; V634-Y688 HydrophobicContact CG2-CG 3.31Å; V634-W689 WeakPolarHBondContact CG2-O 3.27Å; V634-W689 PolarHBondContact N-O 3.21Å; V634-I690 HydrophobicContact CG2-CG1 4.4Å |
| 635 | E | 63.7 | Low | 83.8 | Confident | 115 Ų | 115 | 39.1 Ų | 39.1 | 54% | 0.537 | 19% | 0.194 | S | C | . | . | I | π-helix | trans | -68.3 | -41.4 | -158 | -70.2 | -154.4 | 148.2 | 0 | 0 | 110.5 | D633 I690 | D633-E635 PolarHBondContact OD1-N 2.92Å; E635-I690 HydrophobicContact CG-CG2 4.39Å |
| 636 | N | 68.6 | Low | 84 | Confident | 95 Ų | 95 | 34.4 Ų | 34.4 | 51% | 0.508 | 17% | 0.169 | S | C | . | . | I | π-helix | trans | -96.6 | -50.7 | -176.3 | -61.2 | -56.7 | 0 | 0 | 0 | 112.1 | D633 V634 Q640 | D633-N636 PolarHBondContact OD2-ND2 3.3Å; V634-N636 VanDerWaalsContact C-N 3.33Å; V634-N636 PolarHBondContact O-N 3.38Å; N636-Q640 VanDerWaalsContact O-CG 3.22Å; N636-Q640 WeakPolarHBondContact O-CG 3.44Å; N636-Q640 PolarHBondContact O-NE2 3.37Å; N636-Q640 VanDerWaalsContact O-NE2 3.12Å |
| 637 | M | 78.5 | Confident | 84.2 | Confident | 26 Ų | 26 | 38.1 Ų | 38.1 | 13% | 0.128 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -99.7 | -46.2 | -152.3 | -180 | -162.9 | 86.9 | 0 | 0 | 112.8 | P562 D633 K639 Q640 I641 | P562-M637 HydrophobicContact CB-CE 4.48Å; P562-M637 HydrophobicContact CB-SD 3.64Å; P562-M637 HydrophobicContact CG-CE 3.25Å; P562-M637 HydrophobicContact CG-CG 3.95Å; P562-M637 HydrophobicContact CG-SD 2.95Å; P562-M637 WeakPolarHBondContact CG-SD 3.29Å; D633-M637 HydrophobicContact CB-CB 4.47Å; D633-M637 WeakPolarHBondContact O-CB 3.47Å; D633-M637 PolarHBondContact O-N 3.11Å; M637-K639 VanDerWaalsContact C-N 3.31Å; M637-K639 PolarHBondContact O-N 3.06Å; M637-Q640 WeakPolarHBondContact O-CB 2.99Å; M637-Q640 PolarHBondContact O-N 3.11Å; M637-Q640 VanDerWaalsContact O-N 3.09Å; M637-I641 WeakPolarHBondContact O-CG1 3.3Å; M637-I641 PolarHBondContact O-N 3.3Å |
| 638 | M | 77.3 | Confident | 84.3 | Confident | 11 Ų | 11 | 35.1 Ų | 35.1 | 5% | 0.054 | 18% | 0.176 | C | C | . | . | I | π-helix | trans | -62.3 | -37.2 | 179.5 | -73.9 | -158.3 | -62.6 | 0 | 0 | 113.4 | V630 D633 V634 Q640 I641 F642 L686 Y688 | V630-M638 HydrophobicContact CG1-CG 4.06Å; D633-M638 PolarHBondContact O-N 2.91Å; D633-M638 VanDerWaalsContact O-N 3.13Å; V634-M638 HydrophobicContact CB-CE 3.69Å; V634-M638 HydrophobicContact CG1-CE 3.87Å; V634-M638 HydrophobicContact CG2-CE 3.38Å; M638-Q640 VanDerWaalsContact C-N 3.29Å; M638-Q640 PolarHBondContact O-N 2.91Å; M638-I641 PolarHBondContact O-N 3.34Å; M638-F642 PolarHBondContact O-N 3.07Å; M638-L686 HydrophobicContact SD-CB 4.3Å; M638-L686 HydrophobicContact SD-CD1 4.5Å; M638-L686 HydrophobicContact SD-CD2 3.81Å; M638-L686 HydrophobicContact SD-CG 4.43Å; M638-Y688 HydrophobicContact CE-CD1 3.38Å; M638-Y688 HydrophobicContact CE-CD2 4.18Å; M638-Y688 HydrophobicContact CE-CE1 4.21Å; M638-Y688 HydrophobicContact CE-CG 3.33Å; M638-Y688 HydrophobicContact SD-CD1 4.03Å; M638-Y688 HydrophobicContact SD-CG 4.26Å |
| 639 | K | 78.8 | Confident | 84.2 | Confident | 136 Ų | 136 | 35.1 Ų | 35.1 | 59% | 0.591 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -60.5 | -40.3 | 173.9 | -68.4 | 178.5 | -175.3 | 168 | 0 | 111.4 | M637 S643 | M637-K639 VanDerWaalsContact C-N 3.31Å; M637-K639 PolarHBondContact O-N 3.06Å; K639-S643 WeakPolarHBondContact O-CB 3.18Å; K639-S643 PolarHBondContact O-N 3.45Å |
| 640 | Q | 86.4 | Confident | 84.2 | Confident | 93 Ų | 93 | 39 Ų | 39 | 44% | 0.435 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -66.8 | -46.3 | 175.8 | -69.6 | 174.4 | 27.2 | 0 | 0 | 111.9 | Q606 N636 M637 M638 F642 S643 I644 | Q606-Q640 VanDerWaalsContact NE2-OE1 3.12Å; N636-Q640 VanDerWaalsContact O-CG 3.22Å; N636-Q640 WeakPolarHBondContact O-CG 3.44Å; N636-Q640 PolarHBondContact O-NE2 3.37Å; N636-Q640 VanDerWaalsContact O-NE2 3.12Å; M637-Q640 WeakPolarHBondContact O-CB 2.99Å; M637-Q640 PolarHBondContact O-N 3.11Å; M637-Q640 VanDerWaalsContact O-N 3.09Å; M638-Q640 VanDerWaalsContact C-N 3.29Å; M638-Q640 PolarHBondContact O-N 2.91Å; Q640-F642 VanDerWaalsContact C-N 3.3Å; Q640-F642 PolarHBondContact O-N 3.4Å; Q640-S643 WeakPolarHBondContact O-CB 3.42Å; Q640-S643 PolarHBondContact O-N 3.24Å; Q640-S643 VanDerWaalsContact O-N 3.12Å; Q640-I644 VanDerWaalsContact O-CG1 3.3Å; Q640-I644 WeakPolarHBondContact O-CG1 3.13Å; Q640-I644 PolarHBondContact O-N 3.19Å |
| 641 | I | 90.2 | Very high | 84.1 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.5 | -44.8 | 178 | -62.1 | -60.3 | 0 | 0 | 0 | 110.5 | I560 I605 Q606 L609 V630 M637 M638 S643 I644 F645 | I560-I641 HydrophobicContact CD1-CG2 4.01Å; I560-I641 HydrophobicContact CG2-CD1 4.15Å; I560-I641 HydrophobicContact CG2-CG1 4.36Å; I560-I641 HydrophobicContact CG2-CG2 4.37Å; I605-I641 HydrophobicContact CG2-CD1 3.95Å; Q606-I641 HydrophobicContact CG-CD1 4.44Å; L609-I641 HydrophobicContact CD1-CD1 3.65Å; L609-I641 HydrophobicContact CD1-CG2 4.25Å; V630-I641 HydrophobicContact CG1-CB 4.43Å; V630-I641 HydrophobicContact CG1-CG1 4.47Å; V630-I641 HydrophobicContact CG1-CG2 4.16Å; V630-I641 HydrophobicContact CG2-CG2 4.01Å; M637-I641 WeakPolarHBondContact O-CG1 3.3Å; M637-I641 PolarHBondContact O-N 3.3Å; M638-I641 PolarHBondContact O-N 3.34Å; I641-S643 PolarHBondContact O-N 3Å; I641-I644 PolarHBondContact O-N 3.48Å; I641-F645 HydrophobicContact CG2-CD2 3.9Å; I641-F645 HydrophobicContact CG2-CE2 3.76Å; I641-F645 VanDerWaalsContact O-CD2 3.31Å; I641-F645 WeakPolarHBondContact O-CD2 3.42Å; I641-F645 PolarHBondContact O-N 2.75Å |
| 642 | F | 87.1 | Confident | 84.3 | Confident | 43 Ų | 43 | 47.6 Ų | 47.6 | 19% | 0.189 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.4 | -47 | 175 | -171.2 | -85.8 | 0 | 0 | 0 | 111.6 | M638 Q640 I644 F645 V646 T672 L675 V676 Y684 | M638-F642 PolarHBondContact O-N 3.07Å; Q640-F642 VanDerWaalsContact C-N 3.3Å; Q640-F642 PolarHBondContact O-N 3.4Å; F642-I644 VanDerWaalsContact C-N 3.29Å; F642-I644 PolarHBondContact O-N 3.4Å; F642-F645 PolarHBondContact O-N 2.93Å; F642-V646 HydrophobicContact CD1-CG2 4.13Å; F642-V646 HydrophobicContact CE1-CG2 3.9Å; F642-V646 WeakPolarHBondContact O-CG2 3.3Å; F642-V646 PolarHBondContact O-N 2.67Å; F642-T672 HydrophobicContact CE1-CG2 4.34Å; F642-L675 HydrophobicContact CD2-CD1 4.45Å; F642-L675 HydrophobicContact CE1-CD1 4.35Å; F642-L675 HydrophobicContact CE2-CB 3.62Å; F642-L675 HydrophobicContact CE2-CD1 4.21Å; F642-L675 HydrophobicContact CZ-CB 3.63Å; F642-L675 HydrophobicContact CZ-CD1 4.16Å; F642-V676 HydrophobicContact CZ-CG2 4.15Å; F642-Y684 HydrophobicContact CD2-CE1 4.09Å |
| 643 | S | 89.8 | Confident | 84.4 | Confident | 64 Ų | 64 | 47.6 Ų | 47.6 | 45% | 0.448 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61 | -35.5 | 177.1 | -171.6 | 0 | 0 | 0 | 0 | 113 | K639 Q640 I641 V646 E647 | K639-S643 WeakPolarHBondContact O-CB 3.18Å; K639-S643 PolarHBondContact O-N 3.45Å; Q640-S643 WeakPolarHBondContact O-CB 3.42Å; Q640-S643 PolarHBondContact O-N 3.24Å; Q640-S643 VanDerWaalsContact O-N 3.12Å; I641-S643 PolarHBondContact O-N 3Å; S643-V646 WeakPolarHBondContact O-CB 3.17Å; S643-V646 PolarHBondContact O-N 3.03Å; S643-E647 PolarHBondContact O-N 3.4Å |
| 644 | I | 93.9 | Very high | 84.3 | Confident | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.1 | -40.4 | 177.9 | -71.5 | 162.2 | 0 | 0 | 0 | 110.7 | Q606 L609 R610 Q640 I641 F642 V646 E647 I648 | Q606-I644 HydrophobicContact CB-CD1 3.46Å; Q606-I644 VanDerWaalsContact CB-CD1 3.46Å; Q606-I644 HydrophobicContact CG-CD1 3.2Å; L609-I644 HydrophobicContact CB-CG2 3.86Å; L609-I644 HydrophobicContact CD1-CG2 4.31Å; R610-I644 HydrophobicContact CG-CG2 4.26Å; Q640-I644 VanDerWaalsContact O-CG1 3.3Å; Q640-I644 WeakPolarHBondContact O-CG1 3.13Å; Q640-I644 PolarHBondContact O-N 3.19Å; I641-I644 PolarHBondContact O-N 3.48Å; F642-I644 VanDerWaalsContact C-N 3.29Å; F642-I644 PolarHBondContact O-N 3.4Å; I644-V646 VanDerWaalsContact C-N 3.26Å; I644-V646 PolarHBondContact O-N 3.08Å; I644-E647 WeakPolarHBondContact O-CB 3.49Å; I644-E647 PolarHBondContact O-N 2.82Å; I644-I648 HydrophobicContact CG2-CD1 3.7Å; I644-I648 HydrophobicContact CG2-CG1 4.29Å; I644-I648 WeakPolarHBondContact O-CB 3.48Å; I644-I648 VanDerWaalsContact O-CG1 3.28Å; I644-I648 WeakPolarHBondContact O-CG1 3.16Å; I644-I648 PolarHBondContact O-N 2.96Å |
| 645 | F | 93.9 | Very high | 84.6 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.1 | -36 | 172 | -84.5 | -71.8 | 0 | 0 | 0 | 112.2 | I560 L609 L620 V628 I641 F642 I648 L649 L675 Y684 | I560-F645 HydrophobicContact CD1-CE2 3.41Å; I560-F645 VanDerWaalsContact CD1-CE2 3.41Å; I560-F645 HydrophobicContact CD1-CZ 3.57Å; L609-F645 HydrophobicContact CD2-CZ 4.2Å; L620-F645 HydrophobicContact CD1-CD1 3.88Å; L620-F645 HydrophobicContact CD1-CE1 3.85Å; V628-F645 HydrophobicContact CG1-CE2 3.86Å; V628-F645 HydrophobicContact CG1-CZ 3.77Å; V628-F645 HydrophobicContact CG2-CE1 4.45Å; V628-F645 HydrophobicContact CG2-CZ 4.25Å; I641-F645 HydrophobicContact CG2-CD2 3.9Å; I641-F645 HydrophobicContact CG2-CE2 3.76Å; I641-F645 VanDerWaalsContact O-CD2 3.31Å; I641-F645 WeakPolarHBondContact O-CD2 3.42Å; I641-F645 PolarHBondContact O-N 2.75Å; F642-F645 PolarHBondContact O-N 2.93Å; F645-I648 PolarHBondContact O-N 3.35Å; F645-L649 WeakPolarHBondContact O-CB 3.37Å; F645-L649 VanDerWaalsContact O-CG 3.25Å; F645-L649 WeakPolarHBondContact O-CG 3.3Å; F645-L649 PolarHBondContact O-N 2.82Å; F645-L675 HydrophobicContact CB-CD1 3.47Å; F645-L675 VanDerWaalsContact CB-CD1 3.47Å; F645-L675 HydrophobicContact CB-CD2 3.98Å; F645-L675 HydrophobicContact CB-CG 4.36Å; F645-Y684 AromaticContact CD2-CE2 3.79Å; F645-Y684 HydrophobicContact CD2-CE2 3.79Å; F645-Y684 HydrophobicContact CE2-CE2 4.01Å; F645-Y684 HydrophobicContact CG-CE2 4.41Å |
| 646 | V | 92 | Very high | 84.6 | Confident | 5 Ų | 5 | 51.6 Ų | 51.6 | 3% | 0.03 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61 | -48.6 | 172.8 | 175.4 | 0 | 0 | 0 | 0 | 110.2 | F642 S643 I644 I648 L649 E650 K668 A671 L675 | F642-V646 HydrophobicContact CD1-CG2 4.13Å; F642-V646 HydrophobicContact CE1-CG2 3.9Å; F642-V646 WeakPolarHBondContact O-CG2 3.3Å; F642-V646 PolarHBondContact O-N 2.67Å; S643-V646 WeakPolarHBondContact O-CB 3.17Å; S643-V646 PolarHBondContact O-N 3.03Å; I644-V646 VanDerWaalsContact C-N 3.26Å; I644-V646 PolarHBondContact O-N 3.08Å; V646-I648 PolarHBondContact O-N 2.95Å; V646-L649 PolarHBondContact O-N 3.18Å; V646-E650 WeakPolarHBondContact O-CB 3.49Å; V646-E650 PolarHBondContact O-N 3.41Å; V646-K668 HydrophobicContact CG1-CG 3.72Å; V646-A671 HydrophobicContact CG1-CB 4Å; V646-L675 HydrophobicContact CB-CD1 4.44Å; V646-L675 HydrophobicContact CG2-CD1 3.57Å |
| 647 | E | 93.7 | Very high | 84.4 | Confident | 78 Ų | 78 | 54.3 Ų | 54.3 | 36% | 0.364 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57.9 | -47.2 | 177 | -174.8 | -167.2 | 156.1 | 0 | 0 | 112 | R610 S643 I644 L649 E650 K651 | R610-E647 IonicContact NE-OE1 2.66Å; R610-E647 IonicContact NE-OE2 3.33Å; R610-E647 PolarHBondContact NE-OE2 2.91Å; S643-E647 PolarHBondContact O-N 3.4Å; I644-E647 WeakPolarHBondContact O-CB 3.49Å; I644-E647 PolarHBondContact O-N 2.82Å; E647-L649 PolarHBondContact O-N 2.93Å; E647-E650 PolarHBondContact O-N 2.78Å; E647-K651 VanDerWaalsContact O-CB 3.31Å; E647-K651 WeakPolarHBondContact O-CB 3.45Å; E647-K651 PolarHBondContact O-N 3.36Å |
| 648 | I | 93.7 | Very high | 83.4 | Confident | 5 Ų | 5 | 53.7 Ų | 53.7 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.5 | -46.9 | 179.2 | -73.2 | 165.9 | 0 | 0 | 0 | 111 | L609 G613 L616 A617 I644 F645 V646 K651 H652 | L609-I648 HydrophobicContact CB-CD1 4.14Å; L609-I648 WeakPolarHBondContact O-CD1 3.43Å; G613-I648 VanDerWaalsContact O-CG2 3.23Å; G613-I648 WeakPolarHBondContact O-CG2 3.49Å; L616-I648 HydrophobicContact CB-CG2 4.42Å; L616-I648 HydrophobicContact CD1-CD1 4.21Å; A617-I648 HydrophobicContact CB-CG2 4.09Å; I644-I648 HydrophobicContact CG2-CD1 3.7Å; I644-I648 HydrophobicContact CG2-CG1 4.29Å; I644-I648 WeakPolarHBondContact O-CB 3.48Å; I644-I648 VanDerWaalsContact O-CG1 3.28Å; I644-I648 WeakPolarHBondContact O-CG1 3.16Å; I644-I648 PolarHBondContact O-N 2.96Å; F645-I648 PolarHBondContact O-N 3.35Å; V646-I648 PolarHBondContact O-N 2.95Å; I648-K651 PolarHBondContact O-N 3.4Å; I648-H652 WeakPolarHBondContact O-CB 3.3Å; I648-H652 PolarHBondContact O-CD2 3.24Å; I648-H652 PolarHBondContact O-N 3.49Å |
| 649 | L | 91.9 | Very high | 82.6 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.1 | -42.5 | 180 | -72.8 | 170.1 | 0 | 0 | 0 | 111.6 | T621 F645 V646 E647 K651 A653 M666 A671 F674 L675 | T621-L649 HydrophobicContact CG2-CD2 3.96Å; F645-L649 WeakPolarHBondContact O-CB 3.37Å; F645-L649 VanDerWaalsContact O-CG 3.25Å; F645-L649 WeakPolarHBondContact O-CG 3.3Å; F645-L649 PolarHBondContact O-N 2.82Å; V646-L649 PolarHBondContact O-N 3.18Å; E647-L649 PolarHBondContact O-N 2.93Å; L649-K651 VanDerWaalsContact C-N 3.33Å; L649-K651 PolarHBondContact O-N 2.89Å; L649-A653 HydrophobicContact CD2-CB 4.24Å; L649-A653 WeakPolarHBondContact O-CB 3.41Å; L649-A653 PolarHBondContact O-N 3.05Å; L649-M666 HydrophobicContact CB-SD 4.05Å; L649-A671 HydrophobicContact CB-CB 3.73Å; L649-F674 HydrophobicContact CD1-CD1 3.54Å; L649-F674 HydrophobicContact CD1-CE1 4.15Å; L649-F674 HydrophobicContact CD1-CG 4.41Å; L649-F674 HydrophobicContact CD2-CD1 4.29Å; L649-F674 HydrophobicContact CD2-CE1 4.25Å; L649-L675 HydrophobicContact CD1-CD1 4.17Å; L649-L675 HydrophobicContact CD1-CD2 3.73Å; L649-L675 HydrophobicContact CD1-CG 3.68Å |
| 650 | E | 90.7 | Very high | 81.7 | Confident | 81 Ų | 81 | 52.9 Ų | 52.9 | 38% | 0.379 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.6 | -45.1 | 175.3 | 175.8 | 167.6 | -144.7 | 0 | 0 | 111.5 | V646 E647 M666 K668 | V646-E650 WeakPolarHBondContact O-CB 3.49Å; V646-E650 PolarHBondContact O-N 3.41Å; E647-E650 PolarHBondContact O-N 2.78Å; E650-M666 WeakPolarHBondContact CA-O 3.29Å; E650-K668 WeakPolarHBondContact OE1-CB 3.14Å; E650-K668 PolarHBondContact OE1-N 3.49Å; E650-K668 VanDerWaalsContact OE1-N 3.14Å |
| 651 | K | 88.9 | Confident | 80.5 | Confident | 149 Ų | 149 | 57.8 Ų | 57.8 | 65% | 0.648 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -75.7 | -38.8 | -176.3 | -171.9 | 174.8 | 177.7 | -176.8 | 0 | 113.9 | E647 I648 L649 | E647-K651 VanDerWaalsContact O-CB 3.31Å; E647-K651 WeakPolarHBondContact O-CB 3.45Å; E647-K651 PolarHBondContact O-N 3.36Å; I648-K651 PolarHBondContact O-N 3.4Å; L649-K651 VanDerWaalsContact C-N 3.33Å; L649-K651 PolarHBondContact O-N 2.89Å |
| 652 | H | 89.5 | Confident | 79 | Confident | 31 Ų | 31 | 64.6 Ų | 64.6 | 14% | 0.144 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -114.8 | -26.8 | -166.5 | -61.8 | -67.4 | 0 | 0 | 0 | 114.4 | A617 I648 G654 D655 I658 | A617-H652 HydrophobicContact CB-CB 3.61Å; I648-H652 WeakPolarHBondContact O-CB 3.3Å; I648-H652 PolarHBondContact O-CD2 3.24Å; I648-H652 PolarHBondContact O-N 3.49Å; H652-G654 PolarHBondContact O-N 3.31Å; H652-D655 WeakPolarHBondContact O-CB 3.34Å; H652-D655 PolarHBondContact O-N 3.21Å; H652-D655 VanDerWaalsContact O-N 3.13Å; H652-I658 HydrophobicContact CB-CD1 4.04Å; H652-I658 VanDerWaalsContact O-CD1 3.29Å; H652-I658 WeakPolarHBondContact O-CD1 3.19Å |
| 653 | A | 82.6 | Confident | 77.5 | Confident | 1 Ų | 1 | 74.6 Ų | 74.6 | 1% | 0.008 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -20 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | T621 L649 D655 R659 M666 | T621-A653 HydrophobicContact CG2-CB 4.04Å; L649-A653 HydrophobicContact CD2-CB 4.24Å; L649-A653 WeakPolarHBondContact O-CB 3.41Å; L649-A653 PolarHBondContact O-N 3.05Å; A653-D655 VanDerWaalsContact C-N 3.34Å; A653-R659 WeakPolarHBondContact O-CD 3.43Å; A653-R659 WeakPolarHBondContact O-CG 3.45Å; A653-M666 HydrophobicContact CB-CB 4.31Å; A653-M666 HydrophobicContact CB-CE 3.51Å; A653-M666 HydrophobicContact CB-SD 4.02Å |
| 654 | G | 72.8 | Confident | 76.4 | Confident | 27 Ų | 27 | 75.2 Ų | 75.2 | 28% | 0.278 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -10.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | H652 K656 | H652-G654 PolarHBondContact O-N 3.31Å; G654-K656 PolarHBondContact O-N 3.04Å |
| 655 | D | 73.1 | Confident | 75.4 | Confident | 73 Ų | 73 | 78.5 Ų | 78.5 | 39% | 0.39 | 39% | 0.39 | S | S | . | . | trans | -66.3 | 129.4 | 179.9 | -169.2 | -24.1 | 0 | 0 | 0 | 109.9 | H652 A653 L657 I658 R659 | H652-D655 WeakPolarHBondContact O-CB 3.34Å; H652-D655 PolarHBondContact O-N 3.21Å; H652-D655 VanDerWaalsContact O-N 3.13Å; A653-D655 VanDerWaalsContact C-N 3.34Å; D655-L657 PolarHBondContact O-N 3.04Å; D655-L657 PolarHBondContact OD1-N 2.97Å; D655-I658 HydrophobicContact CB-CB 4.13Å; D655-I658 HydrophobicContact CB-CD1 3.98Å; D655-I658 HydrophobicContact CB-CG1 4.03Å; D655-I658 CarbonylContact O-C 3.48Å; D655-I658 WeakPolarHBondContact O-CA 3.46Å; D655-I658 PolarHBondContact O-N 3.42Å; D655-R659 PolarHBondContact O-N 3.11Å | ||
| 656 | K | 64 | Low | 74.8 | Confident | 161 Ų | 161 | 79.4 Ų | 79.4 | 70% | 0.7 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -27.5 | 178.7 | -72 | 179.8 | 178.9 | 175.6 | 0 | 112.5 | G654 I658 R659 P660 | G654-K656 PolarHBondContact O-N 3.04Å; K656-I658 VanDerWaalsContact C-N 3.27Å; K656-R659 CarbonylContact O-C 3.52Å; K656-P660 VanDerWaalsContact O-CA 3.29Å; K656-P660 WeakPolarHBondContact O-CA 3.4Å |
| 657 | L | 63 | Low | 74.4 | Confident | 151 Ų | 151 | 82.5 Ų | 82.5 | 79% | 0.791 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -29.7 | 173.1 | -68.8 | 169 | 0 | 0 | 0 | 111.9 | D655 | D655-L657 PolarHBondContact O-N 3.04Å; D655-L657 PolarHBondContact OD1-N 2.97Å |
| 658 | I | 57.5 | Low | 74 | Confident | 13 Ų | 13 | 84.6 Ų | 84.6 | 7% | 0.067 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -35.3 | -176.9 | -64.1 | 177.9 | 0 | 0 | 0 | 111.1 | P614 Q622 H652 D655 K656 | P614-I658 HydrophobicContact CB-CD1 4.25Å; Q622-I658 PolarHBondContact NE2-O 3.11Å; H652-I658 HydrophobicContact CB-CD1 4.04Å; H652-I658 VanDerWaalsContact O-CD1 3.29Å; H652-I658 WeakPolarHBondContact O-CD1 3.19Å; D655-I658 HydrophobicContact CB-CB 4.13Å; D655-I658 HydrophobicContact CB-CD1 3.98Å; D655-I658 HydrophobicContact CB-CG1 4.03Å; D655-I658 CarbonylContact O-C 3.48Å; D655-I658 WeakPolarHBondContact O-CA 3.46Å; D655-I658 PolarHBondContact O-N 3.42Å; K656-I658 VanDerWaalsContact C-N 3.27Å |
| 659 | R | 61.8 | Low | 73.3 | Confident | 37 Ų | 37 | 89.9 Ų | 89.9 | 14% | 0.14 | 45% | 0.448 | C | S | . | . | trans | -132.9 | 81.3 | 175.4 | -77.1 | -168.3 | 153.9 | -166.9 | -1.2 | 111.7 | A653 D655 K656 F661 Y662 | A653-R659 WeakPolarHBondContact O-CD 3.43Å; A653-R659 WeakPolarHBondContact O-CG 3.45Å; D655-R659 PolarHBondContact O-N 3.11Å; K656-R659 CarbonylContact O-C 3.52Å; R659-F661 PolarHBondContact O-N 2.86Å; R659-Y662 HydrophobicContact CB-CD2 4.12Å; R659-Y662 HydrophobicContact CG-CD2 4.26Å; R659-Y662 PolarHBondContact O-N 2.7Å | ||
| 660 | P | 58.7 | Low | 72.9 | Confident | 93 Ų | 93 | 93.6 Ų | 93.6 | 60% | 0.604 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -24.1 | -176.4 | 18.7 | -29.7 | 0 | 0 | 0 | 114.3 | K656 | K656-P660 VanDerWaalsContact O-CA 3.29Å; K656-P660 WeakPolarHBondContact O-CA 3.4Å |
| 661 | F | 62 | Low | 72.7 | Confident | 196 Ų | 196 | 89.8 Ų | 89.8 | 86% | 0.86 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -7.8 | -177.3 | -64.4 | -75.8 | 0 | 0 | 0 | 115.3 | R659 | R659-F661 PolarHBondContact O-N 2.86Š|
| 662 | Y | 58.7 | Low | 72.2 | Confident | 143 Ų | 143 | 85 Ų | 85 | 56% | 0.561 | 43% | 0.434 | S | S | * | . | trans | -103.4 | 131.7 | -179.5 | -74.3 | -95.1 | 0 | 0 | 0 | 110.9 | R659 | R659-Y662 HydrophobicContact CB-CD2 4.12Å; R659-Y662 HydrophobicContact CG-CD2 4.26Å; R659-Y662 PolarHBondContact O-N 2.7Å | ||
| 663 | R | 55.4 | Low | 71.6 | Confident | 253 Ų | 253 | 88.7 Ų | 88.7 | 96% | 0.955 | 45% | 0.451 | S | S | * | . | trans | -90.9 | -12.9 | -174.5 | -73.1 | -176.7 | 177.8 | 152.3 | -0.4 | 115 | ||||
| 664 | A | 66.5 | Low | 71.7 | Confident | 77 Ų | 77 | 90.3 Ų | 90.3 | 64% | 0.636 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -123.6 | 143.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 665 | A | 72.1 | Confident | 72.2 | Confident | 74 Ų | 74 | 89 Ų | 89 | 61% | 0.612 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 144.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | T667 | A665-T667 PolarHBondContact O-N 3.25Š|
| 666 | M | 81.3 | Confident | 72.3 | Confident | 20 Ų | 20 | 87 Ų | 87 | 10% | 0.099 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 120.8 | 178.1 | -163.9 | 172.1 | -65 | 0 | 0 | 108.4 | L649 E650 A653 D670 A671 | L649-M666 HydrophobicContact CB-SD 4.05Å; E650-M666 WeakPolarHBondContact CA-O 3.29Å; A653-M666 HydrophobicContact CB-CB 4.31Å; A653-M666 HydrophobicContact CB-CE 3.51Å; A653-M666 HydrophobicContact CB-SD 4.02Å; M666-D670 HydrophobicContact CG-CB 3.56Å; M666-A671 HydrophobicContact CG-CB 4.15Å; M666-A671 HydrophobicContact SD-CB 4.02Å |
| 667 | T | 85.1 | Confident | 72.9 | Confident | 69 Ų | 69 | 83.7 Ų | 83.7 | 42% | 0.423 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 161.2 | 174.5 | 67.5 | 0 | 0 | 0 | 0 | 110.6 | A665 I669 D670 A671 | A665-T667 PolarHBondContact O-N 3.25Å; T667-I669 PolarHBondContact O-N 3.24Å; T667-I669 VanDerWaalsContact O-N 3.14Å; T667-D670 WeakPolarHBondContact CB-OD2 3.44Å; T667-D670 PolarHBondContact N-OD2 2.95Å; T667-D670 VanDerWaalsContact N-OD2 3.16Å; T667-D670 PolarHBondContact O-N 2.76Å; T667-D670 PolarHBondContact OG1-N 3.36Å; T667-D670 VanDerWaalsContact OG1-N 3.15Å; T667-D670 PolarHBondContact OG1-OD2 3.07Å; T667-A671 WeakPolarHBondContact O-CB 3.29Å; T667-A671 PolarHBondContact O-N 3.18Å |
| 668 | K | 85.6 | Confident | 73.8 | Confident | 122 Ų | 122 | 76.5 Ų | 76.5 | 53% | 0.53 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -48.1 | -39.6 | 169.4 | -169.6 | 171.2 | -177.6 | 172.4 | 0 | 113.6 | V646 E650 T672 | V646-K668 HydrophobicContact CG1-CG 3.72Å; E650-K668 WeakPolarHBondContact OE1-CB 3.14Å; E650-K668 PolarHBondContact OE1-N 3.49Å; E650-K668 VanDerWaalsContact OE1-N 3.14Å; K668-T672 WeakPolarHBondContact O-CB 3.32Å; K668-T672 PolarHBondContact O-N 2.83Å; K668-T672 PolarHBondContact O-OG1 2.98Å |
| 669 | I | 77.8 | Confident | 74.8 | Confident | 116 Ų | 116 | 77.1 Ų | 77.1 | 60% | 0.595 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -65.2 | -49.9 | 178.2 | -67 | 172.1 | 0 | 0 | 0 | 109.4 | T667 A671 T672 H673 | T667-I669 PolarHBondContact O-N 3.24Å; T667-I669 VanDerWaalsContact O-N 3.14Å; I669-A671 PolarHBondContact O-N 2.92Å; I669-T672 WeakPolarHBondContact O-CB 3.4Å; I669-T672 PolarHBondContact O-N 2.87Å; I669-H673 VanDerWaalsContact CG2-CD2 3.49Å; I669-H673 WeakPolarHBondContact CG2-CD2 3.49Å; I669-H673 PolarHBondContact O-CD2 3.16Å; I669-H673 PolarHBondContact O-N 3.32Å |
| 670 | D | 83.4 | Confident | 75 | Confident | 79 Ų | 79 | 75.7 Ų | 75.7 | 42% | 0.422 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61 | -42.5 | 178.4 | -60.8 | -45.3 | 0 | 0 | 0 | 112.4 | M666 T667 H673 F674 | M666-D670 HydrophobicContact CG-CB 3.56Å; T667-D670 WeakPolarHBondContact CB-OD2 3.44Å; T667-D670 PolarHBondContact N-OD2 2.95Å; T667-D670 VanDerWaalsContact N-OD2 3.16Å; T667-D670 PolarHBondContact O-N 2.76Å; T667-D670 PolarHBondContact OG1-N 3.36Å; T667-D670 VanDerWaalsContact OG1-N 3.15Å; T667-D670 PolarHBondContact OG1-OD2 3.07Å; D670-H673 PolarHBondContact O-N 2.94Å; D670-F674 WeakPolarHBondContact O-CB 3.48Å; D670-F674 PolarHBondContact O-N 3.22Å |
| 671 | A | 86.4 | Confident | 75.8 | Confident | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V646 L649 M666 T667 I669 H673 F674 L675 | V646-A671 HydrophobicContact CG1-CB 4Å; L649-A671 HydrophobicContact CB-CB 3.73Å; M666-A671 HydrophobicContact CG-CB 4.15Å; M666-A671 HydrophobicContact SD-CB 4.02Å; T667-A671 WeakPolarHBondContact O-CB 3.29Å; T667-A671 PolarHBondContact O-N 3.18Å; I669-A671 PolarHBondContact O-N 2.92Å; A671-H673 PolarHBondContact O-N 3.43Å; A671-F674 WeakPolarHBondContact O-CB 3.43Å; A671-F674 PolarHBondContact O-N 3Å; A671-L675 PolarHBondContact O-N 3.28Å |
| 672 | T | 79.6 | Confident | 76.7 | Confident | 48 Ų | 48 | 68.5 Ų | 68.5 | 29% | 0.294 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.1 | -47.2 | 173.7 | -57.6 | 0 | 0 | 0 | 0 | 110.7 | F642 K668 I669 F674 L675 V676 | F642-T672 HydrophobicContact CE1-CG2 4.34Å; K668-T672 WeakPolarHBondContact O-CB 3.32Å; K668-T672 PolarHBondContact O-N 2.83Å; K668-T672 PolarHBondContact O-OG1 2.98Å; I669-T672 WeakPolarHBondContact O-CB 3.4Å; I669-T672 PolarHBondContact O-N 2.87Å; T672-F674 VanDerWaalsContact C-N 3.29Å; T672-F674 PolarHBondContact O-N 2.77Å; T672-L675 PolarHBondContact O-N 2.97Å; T672-V676 HydrophobicContact CG2-CG2 4.44Å; T672-V676 VanDerWaalsContact O-CG2 3.3Å; T672-V676 WeakPolarHBondContact O-CG2 3.24Å; T672-V676 PolarHBondContact O-N 3.18Å |
| 673 | H | 77 | Confident | 78 | Confident | 110 Ų | 110 | 62.8 Ų | 62.8 | 51% | 0.509 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.5 | -37.5 | 176.1 | -82.3 | -71.8 | 0 | 0 | 0 | 112.7 | I669 D670 A671 K677 | I669-H673 VanDerWaalsContact CG2-CD2 3.49Å; I669-H673 WeakPolarHBondContact CG2-CD2 3.49Å; I669-H673 PolarHBondContact O-CD2 3.16Å; I669-H673 PolarHBondContact O-N 3.32Å; D670-H673 PolarHBondContact O-N 2.94Å; A671-H673 PolarHBondContact O-N 3.43Å; H673-K677 WeakPolarHBondContact O-CB 3.49Å; H673-K677 PolarHBondContact O-N 3.42Å |
| 674 | F | 83.5 | Confident | 79.6 | Confident | 34 Ų | 34 | 51.1 Ų | 51.1 | 15% | 0.149 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.2 | -46 | 176.7 | -179.5 | -91.7 | 0 | 0 | 0 | 111.8 | L620 T621 L649 D670 A671 T672 K677 M678 | L620-F674 HydrophobicContact CB-CE1 4.27Å; L620-F674 WeakPolarHBondContact O-CZ 3.4Å; T621-F674 HydrophobicContact CG2-CZ 4.22Å; L649-F674 HydrophobicContact CD1-CD1 3.54Å; L649-F674 HydrophobicContact CD1-CE1 4.15Å; L649-F674 HydrophobicContact CD1-CG 4.41Å; L649-F674 HydrophobicContact CD2-CD1 4.29Å; L649-F674 HydrophobicContact CD2-CE1 4.25Å; D670-F674 WeakPolarHBondContact O-CB 3.48Å; D670-F674 PolarHBondContact O-N 3.22Å; A671-F674 WeakPolarHBondContact O-CB 3.43Å; A671-F674 PolarHBondContact O-N 3Å; T672-F674 VanDerWaalsContact C-N 3.29Å; T672-F674 PolarHBondContact O-N 2.77Å; F674-K677 CarbonylContact O-C 3.58Å; F674-K677 WeakPolarHBondContact O-CA 3.37Å; F674-K677 WeakPolarHBondContact O-CB 3.36Å; F674-K677 PolarHBondContact O-N 3.27Å; F674-M678 HydrophobicContact CD1-CG 4.2Å; F674-M678 HydrophobicContact CD1-SD 4.02Å; F674-M678 HydrophobicContact CE1-CG 3.88Å; F674-M678 HydrophobicContact CE1-SD 3.41Å; F674-M678 WeakPolarHBondContact CE1-SD 3.28Å; F674-M678 HydrophobicContact CZ-CG 4.36Å; F674-M678 HydrophobicContact CZ-SD 4.18Å; F674-M678 WeakPolarHBondContact O-CG 3.36Å; F674-M678 PolarHBondContact O-N 3.5Å |
| 675 | L | 82.9 | Confident | 80.5 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -69.1 | -41 | 177.6 | -68.1 | 174.3 | 0 | 0 | 0 | 112.8 | F642 F645 V646 L649 A671 T672 K677 M678 Q679 Y684 | F642-L675 HydrophobicContact CD2-CD1 4.45Å; F642-L675 HydrophobicContact CE1-CD1 4.35Å; F642-L675 HydrophobicContact CE2-CB 3.62Å; F642-L675 HydrophobicContact CE2-CD1 4.21Å; F642-L675 HydrophobicContact CZ-CB 3.63Å; F642-L675 HydrophobicContact CZ-CD1 4.16Å; F645-L675 HydrophobicContact CB-CD1 3.47Å; F645-L675 VanDerWaalsContact CB-CD1 3.47Å; F645-L675 HydrophobicContact CB-CD2 3.98Å; F645-L675 HydrophobicContact CB-CG 4.36Å; V646-L675 HydrophobicContact CB-CD1 4.44Å; V646-L675 HydrophobicContact CG2-CD1 3.57Å; L649-L675 HydrophobicContact CD1-CD1 4.17Å; L649-L675 HydrophobicContact CD1-CD2 3.73Å; L649-L675 HydrophobicContact CD1-CG 3.68Å; A671-L675 PolarHBondContact O-N 3.28Å; T672-L675 PolarHBondContact O-N 2.97Å; L675-K677 PolarHBondContact O-N 3.04Å; L675-M678 HydrophobicContact CD2-SD 3.99Å; L675-M678 WeakPolarHBondContact O-CA 3.27Å; L675-M678 WeakPolarHBondContact O-CB 3.29Å; L675-M678 PolarHBondContact O-N 3.2Å; L675-Q679 PolarHBondContact O-N 3.16Å; L675-Y684 HydrophobicContact CD2-CD2 4.31Å |
| 676 | V | 76.1 | Confident | 80.9 | Confident | 30 Ų | 30 | 46.3 Ų | 46.3 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.8 | -36.7 | 172.3 | 171.6 | 0 | 0 | 0 | 0 | 110.3 | T89 F642 T672 A680 | T89-V676 HydrophobicContact CG2-CG1 3.92Å; T89-V676 WeakPolarHBondContact OG1-CG1 3.41Å; F642-V676 HydrophobicContact CZ-CG2 4.15Å; T672-V676 HydrophobicContact CG2-CG2 4.44Å; T672-V676 VanDerWaalsContact O-CG2 3.3Å; T672-V676 WeakPolarHBondContact O-CG2 3.24Å; T672-V676 PolarHBondContact O-N 3.18Å; V676-A680 WeakPolarHBondContact O-CB 3.47Å; V676-A680 PolarHBondContact O-N 3.42Å |
| 677 | K | 75.9 | Confident | 80.7 | Confident | 92 Ų | 92 | 46.4 Ų | 46.4 | 40% | 0.4 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.7 | -43.3 | 170.9 | 166.2 | 160.7 | -166.2 | -167.7 | 0 | 112.5 | R93 H673 F674 L675 Q679 A680 D681 | R93-K677 VanDerWaalsContact NH2-CA 3.3Å; H673-K677 WeakPolarHBondContact O-CB 3.49Å; H673-K677 PolarHBondContact O-N 3.42Å; F674-K677 CarbonylContact O-C 3.58Å; F674-K677 WeakPolarHBondContact O-CA 3.37Å; F674-K677 WeakPolarHBondContact O-CB 3.36Å; F674-K677 PolarHBondContact O-N 3.27Å; L675-K677 PolarHBondContact O-N 3.04Å; K677-Q679 VanDerWaalsContact C-N 3.33Å; K677-Q679 PolarHBondContact O-N 2.62Å; K677-A680 CarbonylContact O-C 3.49Å; K677-A680 WeakPolarHBondContact O-CA 3.47Å; K677-A680 WeakPolarHBondContact O-CB 2.89Å; K677-A680 PolarHBondContact O-N 3.42Å; K677-A680 VanDerWaalsContact O-N 3.14Å; K677-D681 PolarHBondContact O-N 2.87Å |
| 678 | M | 83.3 | Confident | 80.1 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.4 | -43.5 | 174.8 | -70.9 | -170.4 | 62.1 | 0 | 0 | 112.3 | L620 V628 F674 L675 A680 D681 K682 R683 Y684 | L620-M678 HydrophobicContact CB-SD 4.47Å; L620-M678 HydrophobicContact CD1-CE 4.39Å; L620-M678 HydrophobicContact CD1-SD 4.16Å; L620-M678 HydrophobicContact CD2-CE 3.75Å; L620-M678 HydrophobicContact CD2-SD 4.43Å; V628-M678 HydrophobicContact CG2-CE 3.99Å; F674-M678 HydrophobicContact CD1-CG 4.2Å; F674-M678 HydrophobicContact CD1-SD 4.02Å; F674-M678 HydrophobicContact CE1-CG 3.88Å; F674-M678 HydrophobicContact CE1-SD 3.41Å; F674-M678 WeakPolarHBondContact CE1-SD 3.28Å; F674-M678 HydrophobicContact CZ-CG 4.36Å; F674-M678 HydrophobicContact CZ-SD 4.18Å; F674-M678 WeakPolarHBondContact O-CG 3.36Å; F674-M678 PolarHBondContact O-N 3.5Å; L675-M678 HydrophobicContact CD2-SD 3.99Å; L675-M678 WeakPolarHBondContact O-CA 3.27Å; L675-M678 WeakPolarHBondContact O-CB 3.29Å; L675-M678 PolarHBondContact O-N 3.2Å; M678-A680 VanDerWaalsContact C-N 3.32Å; M678-A680 PolarHBondContact O-N 3.05Å; M678-D681 PolarHBondContact O-N 2.98Å; M678-K682 PolarHBondContact O-N 2.66Å; M678-R683 HydrophobicContact CB-CB 4.29Å; M678-R683 HydrophobicContact CE-CB 4.08Å; M678-R683 WeakPolarHBondContact O-CA 3.4Å; M678-R683 PolarHBondContact O-N 2.98Å; M678-Y684 PolarHBondContact O-N 2.8Å; M678-Y684 VanDerWaalsContact O-N 3.14Å |
| 679 | Q | 77.6 | Confident | 79.1 | Confident | 26 Ų | 26 | 43.5 Ų | 43.5 | 12% | 0.121 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.4 | -48.9 | 173.1 | -73.5 | 174.6 | -34.8 | 0 | 0 | 109.8 | H85 L86 L675 K677 D681 K682 Y684 | H85-Q679 VanDerWaalsContact CE1-CB 3.42Å; H85-Q679 WeakPolarHBondContact CE1-CB 3.27Å; H85-Q679 PolarHBondContact CE1-OE1 2.99Å; H85-Q679 PolarHBondContact NE2-OE1 2.96Å; L86-Q679 WeakPolarHBondContact CD2-O 3.28Å; L675-Q679 PolarHBondContact O-N 3.16Å; K677-Q679 VanDerWaalsContact C-N 3.33Å; K677-Q679 PolarHBondContact O-N 2.62Å; Q679-D681 VanDerWaalsContact C-N 3.25Å; Q679-D681 PolarHBondContact O-N 3.06Å; Q679-K682 PolarHBondContact O-N 3.06Å; Q679-Y684 HydrophobicContact CG-CD1 3.54Å; Q679-Y684 HydrophobicContact CG-CE1 4.45Å; Q679-Y684 HydrophobicContact CG-CG 3.93Å |
| 680 | A | 65.7 | Low | 77.8 | Confident | 8 Ų | 8 | 44.1 Ų | 44.1 | 7% | 0.066 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55.7 | -33.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L86 T89 V676 K677 M678 K682 | L86-A680 HydrophobicContact CB-CB 4.29Å; L86-A680 WeakPolarHBondContact CB-O 3.33Å; L86-A680 WeakPolarHBondContact CD1-O 3.32Å; L86-A680 HydrophobicContact CD2-CB 4.47Å; L86-A680 WeakPolarHBondContact CD2-O 3.33Å; T89-A680 HydrophobicContact CG2-CB 3.7Å; V676-A680 WeakPolarHBondContact O-CB 3.47Å; V676-A680 PolarHBondContact O-N 3.42Å; K677-A680 CarbonylContact O-C 3.49Å; K677-A680 WeakPolarHBondContact O-CA 3.47Å; K677-A680 WeakPolarHBondContact O-CB 2.89Å; K677-A680 PolarHBondContact O-N 3.42Å; K677-A680 VanDerWaalsContact O-N 3.14Å; M678-A680 VanDerWaalsContact C-N 3.32Å; M678-A680 PolarHBondContact O-N 3.05Å; A680-K682 VanDerWaalsContact C-N 3.29Å; A680-K682 PolarHBondContact O-N 2.82Å |
| 681 | D | 76.5 | Confident | 77.6 | Confident | 67 Ų | 67 | 42.4 Ų | 42.4 | 36% | 0.358 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 3.6 | 179.7 | -57.6 | -21.1 | 0 | 0 | 0 | 112.6 | K677 M678 Q679 R683 | K677-D681 PolarHBondContact O-N 2.87Å; M678-D681 PolarHBondContact O-N 2.98Å; Q679-D681 VanDerWaalsContact C-N 3.25Å; Q679-D681 PolarHBondContact O-N 3.06Å; D681-R683 HydrophobicContact CB-CB 4.49Å; D681-R683 HydrophobicContact CB-CG 4.01Å; D681-R683 PolarHBondContact O-N 3.43Å; D681-R683 IonicContact OD2-CZ 3.04Å; D681-R683 IonicContact OD2-NE 3.82Å; D681-R683 PolarHBondContact OD2-NE 3.41Å; D681-R683 IonicContact OD2-NH2 3.42Å; D681-R683 PolarHBondContact OD2-NH2 3.24Å |
| 682 | K | 79.9 | Confident | 77.1 | Confident | 70 Ų | 70 | 44.6 Ų | 44.6 | 30% | 0.304 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 35.4 | -169.2 | -53.1 | -173.6 | -179.8 | -168.5 | 0 | 112.8 | L86 M678 Q679 A680 I685 | L86-K682 HydrophobicContact CD1-CD 4.42Å; L86-K682 HydrophobicContact CD1-CG 3.91Å; M678-K682 PolarHBondContact O-N 2.66Å; Q679-K682 PolarHBondContact O-N 3.06Å; A680-K682 VanDerWaalsContact C-N 3.29Å; A680-K682 PolarHBondContact O-N 2.82Å; K682-I685 WeakPolarHBondContact O-CD1 3.46Å |
| 683 | R | 87.2 | Confident | 77 | Confident | 24 Ų | 24 | 44.4 Ų | 44.4 | 9% | 0.091 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -107.8 | -11.8 | 174.9 | -65.4 | -171.4 | -59.7 | 112.4 | -1.9 | 112.9 | S624 A626 R627 V628 M678 D681 | S624-R683 WeakPolarHBondContact O-CD 3.3Å; S624-R683 PolarHBondContact O-NE 3.32Å; A626-R683 WeakPolarHBondContact O-CB 3.31Å; R627-R683 CarbonylContact C-O 3.43Å; R627-R683 WeakPolarHBondContact CA-O 3.31Å; R627-R683 HydrophobicContact CG-CG 4.45Å; V628-R683 PolarHBondContact N-O 3.21Å; M678-R683 HydrophobicContact CB-CB 4.29Å; M678-R683 HydrophobicContact CE-CB 4.08Å; M678-R683 WeakPolarHBondContact O-CA 3.4Å; M678-R683 PolarHBondContact O-N 2.98Å; D681-R683 HydrophobicContact CB-CB 4.49Å; D681-R683 HydrophobicContact CB-CG 4.01Å; D681-R683 PolarHBondContact O-N 3.43Å; D681-R683 IonicContact OD2-CZ 3.04Å; D681-R683 IonicContact OD2-NE 3.82Å; D681-R683 PolarHBondContact OD2-NE 3.41Å; D681-R683 IonicContact OD2-NH2 3.42Å; D681-R683 PolarHBondContact OD2-NH2 3.24Å |
| 684 | Y | 87.5 | Confident | 77 | Confident | 7 Ų | 7 | 40.5 Ų | 40.5 | 3% | 0.027 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 103.9 | 166.2 | -172.3 | -75.3 | 0 | 0 | 0 | 106.4 | V628 V630 F642 F645 L675 M678 Q679 L686 | V628-Y684 HydrophobicContact CB-CD2 3.7Å; V628-Y684 HydrophobicContact CB-CE2 4.2Å; V628-Y684 HydrophobicContact CB-CG 4.34Å; V628-Y684 HydrophobicContact CG1-CD2 3.79Å; V628-Y684 HydrophobicContact CG1-CE2 3.76Å; V628-Y684 HydrophobicContact CG2-CD2 4.22Å; V628-Y684 CarbonylContact O-C 3.56Å; V628-Y684 WeakPolarHBondContact O-CA 3.49Å; V630-Y684 HydrophobicContact CG2-CE1 4.2Å; V630-Y684 HydrophobicContact CG2-CE2 4.33Å; F642-Y684 HydrophobicContact CD2-CE1 4.09Å; F645-Y684 AromaticContact CD2-CE2 3.79Å; F645-Y684 HydrophobicContact CD2-CE2 3.79Å; F645-Y684 HydrophobicContact CE2-CE2 4.01Å; F645-Y684 HydrophobicContact CG-CE2 4.41Å; L675-Y684 HydrophobicContact CD2-CD2 4.31Å; M678-Y684 PolarHBondContact O-N 2.8Å; M678-Y684 VanDerWaalsContact O-N 3.14Å; Q679-Y684 HydrophobicContact CG-CD1 3.54Å; Q679-Y684 HydrophobicContact CG-CE1 4.45Å; Q679-Y684 HydrophobicContact CG-CG 3.93Å; Y684-L686 HydrophobicContact CD1-CD2 4.06Å; Y684-L686 HydrophobicContact CD1-CG 4.26Å; Y684-L686 HydrophobicContact CE1-CD1 4.48Å; Y684-L686 HydrophobicContact CE1-CD2 3.45Å; Y684-L686 VanDerWaalsContact CE1-CD2 3.45Å; Y684-L686 HydrophobicContact CE1-CG 4.04Å |
| 685 | I | 86.1 | Confident | 76.6 | Confident | 11 Ų | 11 | 40.9 Ų | 40.9 | 6% | 0.056 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 126 | -165.9 | -55.3 | 165.4 | 0 | 0 | 0 | 107.6 | F547 V628 Y629 V630 K682 | F547-I685 HydrophobicContact CB-CG2 4.49Å; F547-I685 HydrophobicContact CD2-CG2 3.74Å; F547-I685 HydrophobicContact CE2-CG2 4.49Å; F547-I685 HydrophobicContact CG-CG2 4.48Å; V628-I685 PolarHBondContact O-N 3.04Å; Y629-I685 WeakPolarHBondContact CA-O 3.31Å; Y629-I685 HydrophobicContact CD1-CB 4.02Å; Y629-I685 HydrophobicContact CD1-CD1 4.06Å; Y629-I685 HydrophobicContact CD1-CG2 4.26Å; Y629-I685 HydrophobicContact CE1-CB 4.21Å; Y629-I685 HydrophobicContact CE1-CD1 3.4Å; Y629-I685 VanDerWaalsContact CE1-CD1 3.4Å; Y629-I685 HydrophobicContact CE1-CG1 4.4Å; Y629-I685 HydrophobicContact CE1-CG2 4.33Å; Y629-I685 HydrophobicContact CE2-CD1 4.18Å; Y629-I685 VanDerWaalsContact CZ-CD1 3.46Å; V630-I685 PolarHBondContact N-O 3.36Å; K682-I685 WeakPolarHBondContact O-CD1 3.46Å |
| 686 | L | 81.5 | Confident | 76.1 | Confident | 39 Ų | 39 | 43.7 Ų | 43.7 | 20% | 0.204 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 146.6 | -179.4 | -63.5 | 179.7 | 0 | 0 | 0 | 110.3 | V630 M638 Y684 Y688 | V630-L686 HydrophobicContact CB-CD2 3.69Å; V630-L686 HydrophobicContact CG1-CD2 4.41Å; V630-L686 HydrophobicContact CG2-CD2 4.16Å; V630-L686 WeakPolarHBondContact O-CA 3.42Å; M638-L686 HydrophobicContact SD-CB 4.3Å; M638-L686 HydrophobicContact SD-CD1 4.5Å; M638-L686 HydrophobicContact SD-CD2 3.81Å; M638-L686 HydrophobicContact SD-CG 4.43Å; Y684-L686 HydrophobicContact CD1-CD2 4.06Å; Y684-L686 HydrophobicContact CD1-CG 4.26Å; Y684-L686 HydrophobicContact CE1-CD1 4.48Å; Y684-L686 HydrophobicContact CE1-CD2 3.45Å; Y684-L686 VanDerWaalsContact CE1-CD2 3.45Å; Y684-L686 HydrophobicContact CE1-CG 4.04Å; L686-Y688 HydrophobicContact CB-CD1 4.14Å; L686-Y688 HydrophobicContact CB-CE1 4.39Å |
| 687 | D | 76.9 | Confident | 76.1 | Confident | 22 Ų | 22 | 44.6 Ų | 44.6 | 12% | 0.118 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 137.1 | 162.7 | -177.8 | 39 | 0 | 0 | 0 | 109.4 | R484 F547 V630 C631 G632 | R484-D687 WeakPolarHBondContact CD-OD2 3.29Å; R484-D687 IonicContact CZ-OD1 2.61Å; R484-D687 IonicContact CZ-OD2 2.69Å; R484-D687 IonicContact NE-OD1 2.88Å; R484-D687 IonicContact NE-OD2 2.71Å; R484-D687 PolarHBondContact NE-OD2 3.47Å; R484-D687 IonicContact NH1-OD2 2.94Å; R484-D687 PolarHBondContact NH1-OD2 2.93Å; R484-D687 IonicContact NH2-OD1 3.83Å; R484-D687 PolarHBondContact NH2-OD1 3.13Å; R484-D687 IonicContact NH2-OD2 3.19Å; R484-D687 PolarHBondContact NH2-OD2 2.74Å; R484-D687 VanDerWaalsContact NH2-OD2 3.11Å; F547-D687 HydrophobicContact CB-CB 4.23Å; F547-D687 HydrophobicContact CD1-CB 4.27Å; F547-D687 HydrophobicContact CD2-CB 3.29Å; F547-D687 HydrophobicContact CE1-CB 4.47Å; F547-D687 HydrophobicContact CE2-CB 3.51Å; F547-D687 HydrophobicContact CG-CB 3.69Å; F547-D687 HydrophobicContact CZ-CB 4.09Å; V630-D687 PolarHBondContact O-N 3.34Å; C631-D687 WeakPolarHBondContact CA-O 2.9Å; G632-D687 PolarHBondContact N-O 3.25Å |
| 688 | Y | 71 | Confident | 76.1 | Confident | 50 Ų | 50 | 41 Ų | 41 | 20% | 0.196 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | 161 | -164.3 | 59 | -102.5 | 0 | 0 | 0 | 115.1 | Q26 G632 V634 M638 L686 | Q26-Y688 PolarHBondContact NE2-OH 3.2Å; G632-Y688 WeakPolarHBondContact O-CA 3.37Å; G632-Y688 WeakPolarHBondContact O-CB 3.39Å; V634-Y688 HydrophobicContact CB-CD2 4.36Å; V634-Y688 VanDerWaalsContact CG2-CB 3.49Å; V634-Y688 HydrophobicContact CG2-CD1 4.26Å; V634-Y688 HydrophobicContact CG2-CD2 2.89Å; V634-Y688 HydrophobicContact CG2-CE2 3.47Å; V634-Y688 VanDerWaalsContact CG2-CE2 3.47Å; V634-Y688 HydrophobicContact CG2-CG 3.31Å; M638-Y688 HydrophobicContact CE-CD1 3.38Å; M638-Y688 HydrophobicContact CE-CD2 4.18Å; M638-Y688 HydrophobicContact CE-CE1 4.21Å; M638-Y688 HydrophobicContact CE-CG 3.33Å; M638-Y688 HydrophobicContact SD-CD1 4.03Å; M638-Y688 HydrophobicContact SD-CG 4.26Å; L686-Y688 HydrophobicContact CB-CD1 4.14Å; L686-Y688 HydrophobicContact CB-CE1 4.39Å |
| 689 | W | 65.1 | Low | 75.6 | Confident | 80 Ų | 80 | 44.4 Ų | 44.4 | 30% | 0.303 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 154.6 | 167.8 | 55.8 | 88.5 | 0 | 0 | 0 | 109.1 | T564 G632 V634 | T564-W689 VanDerWaalsContact OG1-CH2 3.31Å; T564-W689 WeakPolarHBondContact OG1-CH2 3.4Å; T564-W689 WeakPolarHBondContact OG1-CZ2 3.44Å; G632-W689 VanDerWaalsContact CA-CH2 3.49Å; V634-W689 WeakPolarHBondContact CG2-O 3.27Å; V634-W689 PolarHBondContact N-O 3.21Å |
| 690 | I | 51.7 | Low | 75.4 | Confident | 129 Ų | 129 | 46.1 Ų | 46.1 | 66% | 0.662 | 22% | 0.217 | S | C | * | . | trans | -88.1 | 0 | 176.7 | -59.9 | 174 | 0 | 0 | 0 | 108.3 | V634 E635 | V634-I690 HydrophobicContact CG2-CG1 4.4Å; E635-I690 HydrophobicContact CG-CG2 4.39Å |
Retrieved 690 of 690 residues in 200.5 ms
(Link to these results)