| 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 | A | 69.1 | Low | 92.3 | Very high | 154 Ų | 154 | 52.3 Ų | 52.3 | 100% | 1.273 | 29% | 0.287 | S | S | * | . | 0 | 136.9 | 0 | 0 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 2 | M | 82.7 | Confident | 92.4 | Very high | 89 Ų | 89 | 49 Ų | 49 | 44% | 0.438 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 139.5 | 176.5 | -71.6 | -169.3 | -92 | 0 | 0 | 109.8 | E44 P51 V53 | M2-E44 WeakPolarHBondContact CE-OE1 3.44Å; M2-P51 HydrophobicContact CG-CB 3.92Å; M2-P51 HydrophobicContact SD-CB 4.17Å; M2-V53 HydrophobicContact CB-CG2 3.97Å; M2-V53 HydrophobicContact SD-CG2 4.16Å |
| 3 | R | 91.6 | Very high | 92.3 | Very high | 116 Ų | 116 | 48.4 Ų | 48.4 | 44% | 0.438 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 129.8 | 177.6 | -172.1 | 163.2 | 174.1 | -167.5 | 8.4 | 109.3 | Y5 S52 V53 N166 N169 | R3-Y5 HydrophobicContact CB-CE2 3.9Å; R3-Y5 VanDerWaalsContact CD-OH 3.24Å; R3-Y5 WeakPolarHBondContact CD-OH 3.34Å; R3-Y5 HydrophobicContact CG-CE1 4.26Å; R3-Y5 HydrophobicContact CG-CE2 3.78Å; R3-S52 CarbonylContact O-C 3.44Å; R3-S52 WeakPolarHBondContact O-CA 3.34Å; R3-V53 PolarHBondContact O-N 2.9Å; R3-N166 PolarHBondContact NH1-OD1 2.8Å; R3-N169 PolarHBondContact NH2-ND2 2.68Å |
| 4 | E | 95.6 | Very high | 92.2 | Very high | 95 Ų | 95 | 49.4 Ų | 49.4 | 44% | 0.444 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 137.3 | 179.2 | -53.9 | -167.1 | 141.5 | 0 | 0 | 110.5 | R42 V53 | E4-R42 IonicContact OE1-NH2 3Å; E4-R42 PolarHBondContact OE1-NH2 2.99Å; E4-V53 CarbonylContact C-O 3.58Å; E4-V53 WeakPolarHBondContact CA-O 3.5Å; E4-V53 HydrophobicContact CG-CB 4.11Å; E4-V53 HydrophobicContact CG-CG2 4.49Å |
| 5 | Y | 97.4 | Very high | 92.5 | Very high | 6 Ų | 6 | 46.1 Ų | 46.1 | 2% | 0.024 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 132.9 | 179.6 | -58.7 | -92.8 | 0 | 0 | 0 | 111 | R3 S52 V53 L54 E55 V162 M165 N166 | R3-Y5 HydrophobicContact CB-CE2 3.9Å; R3-Y5 VanDerWaalsContact CD-OH 3.24Å; R3-Y5 WeakPolarHBondContact CD-OH 3.34Å; R3-Y5 HydrophobicContact CG-CE1 4.26Å; R3-Y5 HydrophobicContact CG-CE2 3.78Å; Y5-S52 WeakPolarHBondContact CE2-OG 3.38Å; Y5-V53 PolarHBondContact N-O 2.93Å; Y5-L54 HydrophobicContact CD2-CD1 4.3Å; Y5-L54 WeakPolarHBondContact O-CA 3.49Å; Y5-E55 PolarHBondContact O-N 3.06Å; Y5-V162 HydrophobicContact CD1-CG1 4.49Å; Y5-V162 HydrophobicContact CD2-CG1 4.18Å; Y5-V162 HydrophobicContact CE1-CG1 4.14Å; Y5-V162 HydrophobicContact CE2-CG1 3.82Å; Y5-V162 HydrophobicContact CG-CG1 4.49Å; Y5-M165 HydrophobicContact CD1-CB 3.94Å; Y5-M165 HydrophobicContact CD1-CE 3.69Å; Y5-M165 HydrophobicContact CD1-SD 3.92Å; Y5-M165 HydrophobicContact CE1-CB 4.18Å; Y5-M165 HydrophobicContact CG-CE 3.85Å; Y5-M165 HydrophobicContact CG-SD 4.43Å; Y5-N166 WeakPolarHBondContact CE1-OD1 3.21Å; Y5-N166 PolarHBondContact OH-ND2 3.3Å; Y5-N166 PolarHBondContact OH-OD1 2.82Å |
| 6 | K | 97.6 | Very high | 92.6 | Very high | 98 Ų | 98 | 44.3 Ų | 44.3 | 43% | 0.426 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 111 | 178.2 | -61.6 | -177 | -179.9 | -170.4 | 0 | 110.2 | E55 Q77 G78 | K6-E55 CarbonylContact C-O 3.44Å; K6-E55 WeakPolarHBondContact CA-O 3.18Å; K6-E55 WeakPolarHBondContact CE-OE2 3.21Å; K6-E55 HydrophobicContact CG-CB 4.37Å; K6-Q77 HydrophobicContact CB-CG 4.33Å; K6-Q77 WeakPolarHBondContact O-CA 3.44Å; K6-Q77 WeakPolarHBondContact O-CB 3.28Å; K6-Q77 PolarHBondContact O-N 2.9Å; K6-G78 PolarHBondContact O-N 2.94Å; K6-G78 VanDerWaalsContact O-N 3.13Å |
| 7 | V | 97.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 136.9 | 180 | -179.1 | 0 | 0 | 0 | 0 | 109.3 | L54 E55 I56 L57 G78 I80 I161 M165 | V7-L54 HydrophobicContact CG2-CG 4.47Å; V7-E55 PolarHBondContact N-O 3.16Å; V7-I56 WeakPolarHBondContact O-CA 3.49Å; V7-L57 PolarHBondContact O-N 2.81Å; V7-G78 WeakPolarHBondContact CA-O 3.48Å; V7-I80 HydrophobicContact CG1-CD1 3.66Å; V7-I80 HydrophobicContact CG1-CG1 3.83Å; V7-I161 HydrophobicContact CG1-CG1 4.26Å; V7-I161 HydrophobicContact CG1-CG2 4.22Å; V7-I161 HydrophobicContact CG2-CG1 4.38Å; V7-I161 HydrophobicContact CG2-CG2 3.96Å; V7-M165 HydrophobicContact CG2-CE 3.61Å; V7-M165 HydrophobicContact CG2-SD 4.42Å |
| 8 | V | 97.2 | Very high | 92.9 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.024 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 129.4 | 173.6 | -172.8 | 0 | 0 | 0 | 0 | 109 | L10 L57 T59 Y72 G78 F79 I80 | V8-L10 HydrophobicContact CG1-CD1 4.31Å; V8-L10 HydrophobicContact CG1-CD2 3.84Å; V8-L10 HydrophobicContact CG1-CG 3.88Å; V8-L57 HydrophobicContact CG1-CB 4.47Å; V8-L57 HydrophobicContact CG1-CD2 4.24Å; V8-L57 HydrophobicContact CG2-CB 4.35Å; V8-L57 HydrophobicContact CG2-CD2 4.35Å; V8-T59 HydrophobicContact CG1-CG2 3.91Å; V8-Y72 HydrophobicContact CG1-CD2 3.72Å; V8-Y72 HydrophobicContact CG1-CE2 4.14Å; V8-Y72 HydrophobicContact CG1-CG 4.4Å; V8-G78 PolarHBondContact N-O 3.05Å; V8-F79 HydrophobicContact CB-CD1 4.01Å; V8-F79 HydrophobicContact CB-CE1 4.08Å; V8-F79 HydrophobicContact CG2-CE1 4.14Å; V8-F79 WeakPolarHBondContact O-CA 3.32Å; V8-I80 PolarHBondContact O-N 3.46Å |
| 9 | V | 97.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 120.7 | 177 | -167.6 | 0 | 0 | 0 | 0 | 109.1 | K17 I56 L57 T59 I80 V82 | V9-K17 HydrophobicContact CB-CB 4.46Å; V9-K17 HydrophobicContact CG1-CB 3.69Å; V9-K17 HydrophobicContact CG1-CD 4.18Å; V9-K17 HydrophobicContact CG1-CG 3.89Å; V9-I56 HydrophobicContact CG2-CG2 3.73Å; V9-L57 PolarHBondContact N-O 3.15Å; V9-T59 PolarHBondContact O-OG1 3.4Å; V9-I80 HydrophobicContact CG1-CB 4.35Å; V9-I80 HydrophobicContact CG1-CG2 4.29Å; V9-I80 HydrophobicContact CG2-CB 4.46Å; V9-I80 HydrophobicContact CG2-CD1 4.34Å; V9-V82 HydrophobicContact CG1-CG2 3.69Å |
| 10 | L | 95 | Very high | 93.3 | Very high | 8 Ų | 8 | 37.9 Ų | 37.9 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 155.6 | -173.6 | -63.1 | 172.2 | 0 | 0 | 0 | 111.4 | V8 K17 T59 Y72 F79 I80 V82 I101 | V8-L10 HydrophobicContact CG1-CD1 4.31Å; V8-L10 HydrophobicContact CG1-CD2 3.84Å; V8-L10 HydrophobicContact CG1-CG 3.88Å; L10-K17 VanDerWaalsContact C-CD 3.46Å; L10-T59 HydrophobicContact CD2-CG2 3.83Å; L10-Y72 HydrophobicContact CD1-CE2 4.36Å; L10-Y72 HydrophobicContact CD2-CD2 4.4Å; L10-Y72 HydrophobicContact CD2-CE2 3.48Å; L10-Y72 VanDerWaalsContact CD2-CE2 3.48Å; L10-F79 HydrophobicContact CD1-CD1 3.94Å; L10-I80 PolarHBondContact N-O 3.5Å; L10-V82 PolarHBondContact O-N 3.09Å; L10-I101 HydrophobicContact CD1-CD1 3.73Å; L10-I101 HydrophobicContact CD1-CG1 4.14Å |
| 11 | G | 94.7 | Very high | 93.5 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | trans | 147.3 | 161.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K17 G61 V82 | G11-K17 PolarHBondContact O-NZ 3.18Å; G11-G61 WeakPolarHBondContact O-CA 3.25Å; G11-V82 VanDerWaalsContact CA-O 3.25Å; G11-V82 WeakPolarHBondContact CA-O 3.24Å | ||
| 12 | S | 92.8 | Very high | 94.7 | Very high | 13 Ų | 13 | 29.3 Ų | 29.3 | 9% | 0.091 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -59.9 | 169.8 | -177.2 | -55.7 | 0 | 0 | 0 | 0 | 113.1 | V15 K17 G61 D93 | S12-V15 WeakPolarHBondContact O-CG1 3.25Å; S12-V15 VanDerWaalsContact O-CG2 3.26Å; S12-V15 WeakPolarHBondContact O-CG2 3.3Å; S12-K17 PolarHBondContact O-NZ 3.32Å; S12-K17 VanDerWaalsContact O-NZ 3.14Å; S12-G61 CarbonylContact C-O 3.58Å; S12-D93 VanDerWaalsContact OG-CB 3.24Å; S12-D93 WeakPolarHBondContact OG-CB 3.26Å; S12-D93 PolarHBondContact OG-OD2 2.7Å |
| 13 | G | 90.9 | Very high | 95.4 | Very high | 41 Ų | 41 | 25.6 Ų | 25.6 | 42% | 0.423 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 138.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V15 G61 | G13-V15 VanDerWaalsContact C-N 3.26Å; G13-V15 PolarHBondContact O-N 3.41Å; G13-G61 PolarHBondContact N-O 3.15Å |
| 14 | G | 91.9 | Very high | 95.6 | Very high | 62 Ų | 62 | 20.3 Ų | 20.3 | 64% | 0.639 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | G16 K118 | G14-G16 PolarHBondContact O-N 2.94Å; G14-K118 WeakPolarHBondContact O-CE 3.29Å; G14-K118 PolarHBondContact O-NZ 3.5Å |
| 15 | V | 95.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.006 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -72.2 | -17.3 | 177.6 | -57.3 | 0 | 0 | 0 | 0 | 113.5 | S12 G13 K17 V82 N117 | S12-V15 WeakPolarHBondContact O-CG1 3.25Å; S12-V15 VanDerWaalsContact O-CG2 3.26Å; S12-V15 WeakPolarHBondContact O-CG2 3.3Å; G13-V15 VanDerWaalsContact C-N 3.26Å; G13-V15 PolarHBondContact O-N 3.41Å; V15-K17 HydrophobicContact CG2-CD 4.36Å; V15-K17 HydrophobicContact CG2-CG 3.65Å; V15-V82 HydrophobicContact CB-CG1 4.27Å; V15-V82 HydrophobicContact CG2-CB 4Å; V15-V82 HydrophobicContact CG2-CG1 3.89Å; V15-V82 WeakPolarHBondContact CG2-O 3.25Å; V15-N117 PolarHBondContact O-ND2 2.58Å |
| 16 | G | 95.4 | Very high | 95.5 | Very high | 16 Ų | 16 | 21.2 Ų | 21.2 | 17% | 0.165 | 15% | 0.147 | C | C | . | . | S | Bend | trans | 100.4 | 27.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | G14 A19 L20 | G14-G16 PolarHBondContact O-N 2.94Å; G16-A19 PolarHBondContact O-N 3.27Å; G16-L20 WeakPolarHBondContact O-CG 3.3Å; G16-L20 PolarHBondContact O-N 3.49Å |
| 17 | K | 95.8 | Very high | 95.3 | Very high | 9 Ų | 9 | 18.7 Ų | 18.7 | 4% | 0.039 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -54.3 | -56.1 | 174.1 | -56.4 | -172 | -61 | -71.9 | 0 | 112 | V9 L10 G11 S12 V15 A19 L20 T21 D58 T59 V82 | V9-K17 HydrophobicContact CB-CB 4.46Å; V9-K17 HydrophobicContact CG1-CB 3.69Å; V9-K17 HydrophobicContact CG1-CD 4.18Å; V9-K17 HydrophobicContact CG1-CG 3.89Å; L10-K17 VanDerWaalsContact C-CD 3.46Å; G11-K17 PolarHBondContact O-NZ 3.18Å; S12-K17 PolarHBondContact O-NZ 3.32Å; S12-K17 VanDerWaalsContact O-NZ 3.14Å; V15-K17 HydrophobicContact CG2-CD 4.36Å; V15-K17 HydrophobicContact CG2-CG 3.65Å; K17-A19 VanDerWaalsContact C-N 3.32Å; K17-A19 PolarHBondContact O-N 2.89Å; K17-L20 PolarHBondContact O-N 2.92Å; K17-T21 PolarHBondContact O-N 3.2Å; K17-T21 PolarHBondContact O-OG1 3.24Å; K17-T21 VanDerWaalsContact O-OG1 3.12Å; K17-D58 WeakPolarHBondContact CB-OD1 3.31Å; K17-T59 WeakPolarHBondContact CE-O 3.4Å; K17-V82 HydrophobicContact CG-CB 4.24Å; K17-V82 HydrophobicContact CG-CG2 4.34Å |
| 18 | S | 94.4 | Very high | 94.8 | Very high | 15 Ų | 15 | 21.7 Ų | 21.7 | 11% | 0.105 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.3 | -40.7 | 177.3 | -36 | 0 | 0 | 0 | 0 | 111.8 | L20 T21 V22 T36 D58 | S18-L20 PolarHBondContact O-N 3.47Å; S18-T21 PolarHBondContact O-N 3.17Å; S18-V22 VanDerWaalsContact O-CB 3.29Å; S18-V22 WeakPolarHBondContact O-CB 3.15Å; S18-V22 VanDerWaalsContact O-CG2 3.26Å; S18-V22 WeakPolarHBondContact O-CG2 3.41Å; S18-V22 PolarHBondContact O-N 2.69Å; S18-T36 PolarHBondContact OG-OG1 3.42Å; S18-D58 VanDerWaalsContact CA-OD2 3.23Å; S18-D58 WeakPolarHBondContact CA-OD2 3.33Å; S18-D58 WeakPolarHBondContact CB-OD2 3.3Å; S18-D58 PolarHBondContact N-OD1 3.24Å; S18-D58 PolarHBondContact OG-OD2 3.42Å |
| 19 | A | 95.6 | Very high | 94.3 | Very high | 25 Ų | 25 | 25.1 Ų | 25.1 | 21% | 0.207 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.3 | -42.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G16 K17 Q23 F29 A148 | G16-A19 PolarHBondContact O-N 3.27Å; K17-A19 VanDerWaalsContact C-N 3.32Å; K17-A19 PolarHBondContact O-N 2.89Å; A19-Q23 WeakPolarHBondContact O-CB 3.49Å; A19-Q23 PolarHBondContact O-N 3.49Å; A19-F29 HydrophobicContact CB-CD2 4.46Å; A19-F29 HydrophobicContact CB-CE2 4.08Å; A19-A148 HydrophobicContact CB-CB 3.63Å |
| 20 | L | 98 | Very high | 93.6 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.1 | -47.1 | 174.6 | -73.1 | 169.8 | 0 | 0 | 0 | 111.4 | G16 K17 S18 Q23 F24 V82 V115 N117 A148 V154 L157 | G16-L20 WeakPolarHBondContact O-CG 3.3Å; G16-L20 PolarHBondContact O-N 3.49Å; K17-L20 PolarHBondContact O-N 2.92Å; S18-L20 PolarHBondContact O-N 3.47Å; L20-Q23 PolarHBondContact O-N 3.27Å; L20-F24 WeakPolarHBondContact O-CB 3.34Å; L20-F24 PolarHBondContact O-N 2.98Å; L20-V82 HydrophobicContact CD1-CG1 3.92Å; L20-V82 HydrophobicContact CD1-CG2 4.06Å; L20-V115 HydrophobicContact CD1-CG1 4.32Å; L20-N117 HydrophobicContact CD1-CB 4.32Å; L20-A148 HydrophobicContact CD2-CB 3.94Å; L20-A148 HydrophobicContact CG-CB 4.19Å; L20-V154 HydrophobicContact CD2-CG2 3.84Å; L20-L157 HydrophobicContact CD1-CD2 4.23Å |
| 21 | T | 96.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.6 | -48.7 | -179.8 | -58.4 | 0 | 0 | 0 | 0 | 111.7 | K17 S18 F24 V25 Y41 I56 | K17-T21 PolarHBondContact O-N 3.2Å; K17-T21 PolarHBondContact O-OG1 3.24Å; K17-T21 VanDerWaalsContact O-OG1 3.12Å; S18-T21 PolarHBondContact O-N 3.17Å; T21-F24 PolarHBondContact O-N 3.32Å; T21-V25 HydrophobicContact CG2-CG2 4.35Å; T21-V25 WeakPolarHBondContact O-CB 3.47Å; T21-V25 WeakPolarHBondContact O-CG2 3.37Å; T21-V25 PolarHBondContact O-N 3.09Å; T21-Y41 HydrophobicContact CG2-CD1 4.49Å; T21-Y41 HydrophobicContact CG2-CD2 3.31Å; T21-Y41 HydrophobicContact CG2-CE2 3.7Å; T21-Y41 HydrophobicContact CG2-CG 3.74Å; T21-I56 HydrophobicContact CG2-CB 4.27Å; T21-I56 HydrophobicContact CG2-CD1 4.34Å; T21-I56 HydrophobicContact CG2-CG2 3.74Å |
| 22 | V | 94.9 | Very high | 91.4 | Very high | 11 Ų | 11 | 45.5 Ų | 45.5 | 7% | 0.067 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.3 | -42.6 | 178.5 | 172 | 0 | 0 | 0 | 0 | 110.9 | S18 F24 V25 T26 I30 Y33 Y41 | S18-V22 VanDerWaalsContact O-CB 3.29Å; S18-V22 WeakPolarHBondContact O-CB 3.15Å; S18-V22 VanDerWaalsContact O-CG2 3.26Å; S18-V22 WeakPolarHBondContact O-CG2 3.41Å; S18-V22 PolarHBondContact O-N 2.69Å; V22-F24 VanDerWaalsContact C-N 3.29Å; V22-F24 PolarHBondContact O-N 3Å; V22-V25 PolarHBondContact O-N 3.04Å; V22-T26 HydrophobicContact CG1-CG2 4.22Å; V22-T26 WeakPolarHBondContact O-CB 3.32Å; V22-T26 PolarHBondContact O-N 3.02Å; V22-T26 PolarHBondContact O-OG1 3.24Å; V22-I30 HydrophobicContact CG1-CD1 4.28Å; V22-Y33 HydrophobicContact CG2-CE2 4.13Å; V22-Y41 HydrophobicContact CG2-CE1 4.26Å |
| 23 | Q | 96.7 | Very high | 90.2 | Very high | 11 Ų | 11 | 49.2 Ų | 49.2 | 5% | 0.051 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.2 | -40.2 | 177 | 179.7 | 70.9 | -43.8 | 0 | 0 | 111.2 | A19 L20 G27 S28 A148 K151 V154 | A19-Q23 WeakPolarHBondContact O-CB 3.49Å; A19-Q23 PolarHBondContact O-N 3.49Å; L20-Q23 PolarHBondContact O-N 3.27Å; Q23-G27 WeakPolarHBondContact O-CA 3.3Å; Q23-G27 PolarHBondContact O-N 2.84Å; Q23-G27 PolarHBondContact OE1-O 3.27Å; Q23-S28 WeakPolarHBondContact CA-O 3.41Å; Q23-S28 VanDerWaalsContact OE1-CA 3.28Å; Q23-S28 PolarHBondContact OE1-O 3.31Å; Q23-A148 VanDerWaalsContact CD-O 3.3Å; Q23-A148 VanDerWaalsContact CG-O 3.3Å; Q23-A148 WeakPolarHBondContact CG-O 3.4Å; Q23-A148 PolarHBondContact NE2-O 2.89Å; Q23-K151 HydrophobicContact CG-CB 4.33Å; Q23-K151 HydrophobicContact CG-CG 3.9Å; Q23-V154 HydrophobicContact CB-CG1 4.4Å; Q23-V154 HydrophobicContact CG-CG1 4.17Å; Q23-V154 HydrophobicContact CG-CG2 4.28Å |
| 24 | F | 97.8 | Very high | 89.3 | Confident | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.2 | -49.6 | 174.5 | 175.7 | -113.7 | 0 | 0 | 0 | 111.7 | L20 T21 V22 K43 I45 L54 I56 V154 D155 F158 | L20-F24 WeakPolarHBondContact O-CB 3.34Å; L20-F24 PolarHBondContact O-N 2.98Å; T21-F24 PolarHBondContact O-N 3.32Å; V22-F24 VanDerWaalsContact C-N 3.29Å; V22-F24 PolarHBondContact O-N 3Å; F24-K43 HydrophobicContact CD1-CD 3.87Å; F24-K43 HydrophobicContact CE1-CB 4.19Å; F24-K43 HydrophobicContact CE1-CD 3.49Å; F24-K43 VanDerWaalsContact CE1-CD 3.49Å; F24-K43 HydrophobicContact CE1-CG 4.44Å; F24-K43 HydrophobicContact CE2-CD 4.22Å; F24-K43 HydrophobicContact CG-CD 4.41Å; F24-K43 HydrophobicContact CZ-CD 3.72Å; F24-K43 WeakPolarHBondContact O-CE 3.49Å; F24-K43 PolarHBondContact O-NZ 2.73Å; F24-I45 HydrophobicContact CE1-CG2 4.4Å; F24-I45 HydrophobicContact CE2-CG2 4.32Å; F24-I45 HydrophobicContact CZ-CD1 4.38Å; F24-I45 HydrophobicContact CZ-CG2 3.62Å; F24-L54 HydrophobicContact CE1-CD2 4.27Å; F24-L54 HydrophobicContact CZ-CD2 4.32Å; F24-I56 HydrophobicContact CD1-CD1 3.68Å; F24-I56 HydrophobicContact CE1-CD1 3.78Å; F24-V154 HydrophobicContact CB-CG1 3.83Å; F24-D155 WeakPolarHBondContact CD2-OD1 3.2Å; F24-F158 HydrophobicContact CB-CD2 3.54Å; F24-F158 HydrophobicContact CB-CE2 3.39Å; F24-F158 HydrophobicContact CB-CG 4.42Å; F24-F158 HydrophobicContact CB-CZ 4.17Å; F24-F158 HydrophobicContact CD1-CB 4.21Å; F24-F158 HydrophobicContact CD1-CD1 4Å; F24-F158 AromaticContact CD1-CD2 3.69Å; F24-F158 HydrophobicContact CD1-CD2 3.69Å; F24-F158 HydrophobicContact CD1-CE1 4.29Å; F24-F158 HydrophobicContact CD1-CE2 4.01Å; F24-F158 AromaticContact CD1-CG 3.7Å; F24-F158 HydrophobicContact CD1-CG 3.7Å; F24-F158 HydrophobicContact CD1-CZ 4.29Å; F24-F158 HydrophobicContact CD2-CB 3.9Å; F24-F158 AromaticContact CD2-CD2 3.5Å; F24-F158 HydrophobicContact CD2-CD2 3.5Å; F24-F158 VanDerWaalsContact CD2-CD2 3.5Å; F24-F158 HydrophobicContact CD2-CE2 4.28Å; F24-F158 AromaticContact CD2-CG 3.89Å; F24-F158 HydrophobicContact CD2-CG 3.89Å; F24-F158 HydrophobicContact CE1-CB 3.8Å; F24-F158 HydrophobicContact CE1-CD1 4.02Å; F24-F158 HydrophobicContact CE1-CD2 4.18Å; F24-F158 AromaticContact CE1-CG 3.74Å; F24-F158 HydrophobicContact CE1-CG 3.74Å; F24-F158 HydrophobicContact CE2-CB 3.46Å; F24-F158 VanDerWaalsContact CE2-CB 3.46Å; F24-F158 HydrophobicContact CE2-CD2 4.01Å; F24-F158 AromaticContact CE2-CG 3.93Å; F24-F158 HydrophobicContact CE2-CG 3.93Å; F24-F158 HydrophobicContact CG-CB 4.23Å; F24-F158 HydrophobicContact CG-CD1 4.44Å; F24-F158 AromaticContact CG-CD2 3.28Å; F24-F158 HydrophobicContact CG-CD2 3.28Å; F24-F158 AromaticContact CG-CE2 3.66Å; F24-F158 HydrophobicContact CG-CE2 3.66Å; F24-F158 AromaticContact CG-CG 3.74Å; F24-F158 HydrophobicContact CG-CG 3.74Å; F24-F158 HydrophobicContact CG-CZ 4.37Å; F24-F158 HydrophobicContact CZ-CB 3.36Å; F24-F158 HydrophobicContact CZ-CD1 4.46Å; F24-F158 HydrophobicContact CZ-CD2 4.29Å; F24-F158 AromaticContact CZ-CG 3.82Å; F24-F158 HydrophobicContact CZ-CG 3.82Å |
| 25 | V | 96.1 | Very high | 88.5 | Confident | 41 Ų | 41 | 57 Ų | 57 | 25% | 0.248 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -71.2 | -41.9 | -173.3 | 174.2 | 0 | 0 | 0 | 0 | 112.2 | T21 V22 Y41 I56 | T21-V25 HydrophobicContact CG2-CG2 4.35Å; T21-V25 WeakPolarHBondContact O-CB 3.47Å; T21-V25 WeakPolarHBondContact O-CG2 3.37Å; T21-V25 PolarHBondContact O-N 3.09Å; V22-V25 PolarHBondContact O-N 3.04Å; V25-Y41 HydrophobicContact CB-CD1 4.46Å; V25-Y41 HydrophobicContact CG1-CD1 4.26Å; V25-Y41 HydrophobicContact CG2-CD1 4.22Å; V25-Y41 HydrophobicContact CG2-CG 4.22Å; V25-I56 HydrophobicContact CG2-CD1 4.23Å |
| 26 | T | 93.4 | Very high | 87.2 | Confident | 78 Ų | 78 | 57.9 Ų | 57.9 | 48% | 0.479 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -109.5 | -14.2 | -169 | 72.5 | 0 | 0 | 0 | 0 | 113.8 | V22 S28 | V22-T26 HydrophobicContact CG1-CG2 4.22Å; V22-T26 WeakPolarHBondContact O-CB 3.32Å; V22-T26 PolarHBondContact O-N 3.02Å; V22-T26 PolarHBondContact O-OG1 3.24Å; T26-S28 PolarHBondContact O-N 2.81Å; T26-S28 PolarHBondContact OG1-N 3.13Å |
| 27 | G | 92.8 | Very high | 86 | Confident | 45 Ų | 45 | 64.1 Ų | 64.1 | 46% | 0.464 | 35% | 0.348 | S | S | . | . | S | Bend | trans | 67.8 | 13.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q23 | Q23-G27 WeakPolarHBondContact O-CA 3.3Å; Q23-G27 PolarHBondContact O-N 2.84Å; Q23-G27 PolarHBondContact OE1-O 3.27Å |
| 28 | S | 88.3 | Confident | 85 | Confident | 65 Ų | 65 | 67.7 Ų | 67.7 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | trans | -119.8 | 139.8 | -178.2 | -57.8 | 0 | 0 | 0 | 0 | 111.9 | Q23 T26 | Q23-S28 WeakPolarHBondContact CA-O 3.41Å; Q23-S28 VanDerWaalsContact OE1-CA 3.28Å; Q23-S28 PolarHBondContact OE1-O 3.31Å; T26-S28 PolarHBondContact O-N 2.81Å; T26-S28 PolarHBondContact OG1-N 3.13Å | ||
| 29 | F | 86.2 | Confident | 84.7 | Confident | 76 Ų | 76 | 69.8 Ų | 69.8 | 33% | 0.333 | 38% | 0.375 | S | S | . | . | trans | -102.3 | 125.9 | 171.9 | 178.3 | -105.1 | 0 | 0 | 0 | 109.9 | A19 E31 A148 K149 | A19-F29 HydrophobicContact CB-CD2 4.46Å; A19-F29 HydrophobicContact CB-CE2 4.08Å; F29-E31 HydrophobicContact CD1-CG 4.18Å; F29-E31 HydrophobicContact CE1-CB 4.42Å; F29-E31 HydrophobicContact CE1-CG 3.56Å; F29-E31 HydrophobicContact CZ-CG 4.49Å; F29-A148 HydrophobicContact CD2-CB 4.19Å; F29-A148 HydrophobicContact CE2-CB 4.19Å; F29-K149 HydrophobicContact CD1-CB 4.32Å; F29-K149 HydrophobicContact CD1-CG 4.07Å; F29-K149 HydrophobicContact CD2-CB 4.35Å; F29-K149 HydrophobicContact CE1-CB 4.09Å; F29-K149 HydrophobicContact CE1-CD 4.48Å; F29-K149 HydrophobicContact CE1-CG 3.88Å; F29-K149 HydrophobicContact CE2-CB 4.14Å; F29-K149 HydrophobicContact CG-CB 4.44Å; F29-K149 HydrophobicContact CZ-CB 4.01Å; F29-K149 HydrophobicContact CZ-CG 4.28Å | ||
| 30 | I | 81.9 | Confident | 84.5 | Confident | 90 Ų | 90 | 75.6 Ų | 75.6 | 46% | 0.462 | 40% | 0.396 | S | S | . | . | trans | -109.8 | 112.8 | 178.6 | -54.8 | 177.4 | 0 | 0 | 0 | 107.8 | V22 K32 | V22-I30 HydrophobicContact CG1-CD1 4.28Å; I30-K32 VanDerWaalsContact C-N 3.34Å; I30-K32 VanDerWaalsContact CG2-O 3.23Å; I30-K32 WeakPolarHBondContact CG2-O 3.48Å; I30-K32 PolarHBondContact O-N 3.27Å | ||
| 31 | E | 73.4 | Confident | 84.3 | Confident | 156 Ų | 156 | 77.7 Ų | 77.7 | 73% | 0.729 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -64.6 | -36 | -177.8 | -85.6 | -175.8 | 169.4 | 0 | 0 | 113.5 | F29 | F29-E31 HydrophobicContact CD1-CG 4.18Å; F29-E31 HydrophobicContact CE1-CB 4.42Å; F29-E31 HydrophobicContact CE1-CG 3.56Å; F29-E31 HydrophobicContact CZ-CG 4.49Å |
| 32 | K | 70.8 | Confident | 84.3 | Confident | 193 Ų | 193 | 84.3 Ų | 84.3 | 84% | 0.839 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -109.3 | 105.2 | 178.8 | -66.8 | -175.8 | -178.7 | -179.6 | 0 | 108.9 | I30 | I30-K32 VanDerWaalsContact C-N 3.34Å; I30-K32 VanDerWaalsContact CG2-O 3.23Å; I30-K32 WeakPolarHBondContact CG2-O 3.48Å; I30-K32 PolarHBondContact O-N 3.27Å |
| 33 | Y | 67.2 | Low | 84.4 | Confident | 91 Ų | 91 | 86.4 Ų | 86.4 | 36% | 0.357 | 44% | 0.437 | S | S | . | . | trans | -113.5 | 134.2 | 176.4 | -158.6 | -95.6 | 0 | 0 | 0 | 109.3 | V22 T36 D39 Y41 | V22-Y33 HydrophobicContact CG2-CE2 4.13Å; Y33-T36 VanDerWaalsContact CE1-OG1 3.31Å; Y33-T36 WeakPolarHBondContact CE1-OG1 3.33Å; Y33-D39 PolarHBondContact OH-OD2 3.29Å; Y33-Y41 PolarHBondContact OH-OH 3.16Å; Y33-Y41 VanDerWaalsContact OH-OH 3.1Å | ||
| 34 | D | 72.9 | Confident | 84.4 | Confident | 143 Ų | 143 | 91.6 Ų | 91.6 | 77% | 0.765 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -68 | 136.7 | 171.9 | -71.4 | -35.4 | 0 | 0 | 0 | 108.9 | T36 | D34-T36 PolarHBondContact O-N 3.15Å; D34-T36 VanDerWaalsContact O-N 3.09Å |
| 35 | P | 73.9 | Confident | 84.4 | Confident | 124 Ų | 124 | 92.6 Ų | 92.6 | 81% | 0.805 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -52 | 120.5 | -178.8 | -27.4 | 34.4 | 0 | 0 | 0 | 112.5 | ||
| 36 | T | 68.3 | Low | 84.3 | Confident | 19 Ų | 19 | 97 Ų | 97 | 12% | 0.117 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 139.3 | 178.3 | -52.2 | 0 | 0 | 0 | 0 | 111.3 | S18 Y33 D34 D39 D58 A60 | S18-T36 PolarHBondContact OG-OG1 3.42Å; Y33-T36 VanDerWaalsContact CE1-OG1 3.31Å; Y33-T36 WeakPolarHBondContact CE1-OG1 3.33Å; D34-T36 PolarHBondContact O-N 3.15Å; D34-T36 VanDerWaalsContact O-N 3.09Å; T36-D39 HydrophobicContact CG2-CB 4.3Å; T36-D58 WeakPolarHBondContact CG2-OD2 3.31Å; T36-D58 PolarHBondContact OG1-OD2 3.15Å; T36-A60 WeakPolarHBondContact O-CA 3.48Å; T36-A60 WeakPolarHBondContact O-CB 3.11Å |
| 37 | I | 70.9 | Confident | 84.4 | Confident | 147 Ų | 147 | 93.6 Ų | 93.6 | 75% | 0.754 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -92.5 | -64.9 | 164 | -60.5 | 175.9 | 0 | 0 | 0 | 108.2 | A60 | I37-A60 VanDerWaalsContact O-CB 3.29Å; I37-A60 WeakPolarHBondContact O-CB 3.44Å; I37-A60 PolarHBondContact O-N 3Å |
| 38 | E | 74.8 | Confident | 84.5 | Confident | 84 Ų | 84 | 96.3 Ų | 96.3 | 39% | 0.393 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 127.4 | 171.7 | -176.2 | 179.1 | 81.8 | 0 | 0 | 107.4 | F40 L57 D58 | E38-F40 HydrophobicContact CG-CE2 4.08Å; E38-F40 WeakPolarHBondContact OE1-CE2 3.39Å; E38-L57 HydrophobicContact CG-CD1 3.29Å; E38-L57 HydrophobicContact CG-CG 4.38Å; E38-D58 WeakPolarHBondContact CA-O 3.35Å |
| 39 | D | 87.2 | Confident | 84.6 | Confident | 60 Ų | 60 | 98 Ų | 98 | 32% | 0.321 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 137.2 | 177.1 | -76.4 | -45.9 | 0 | 0 | 0 | 110.8 | Y33 T36 Y41 D58 | Y33-D39 PolarHBondContact OH-OD2 3.29Å; T36-D39 HydrophobicContact CG2-CB 4.3Å; D39-Y41 HydrophobicContact CB-CD2 4.32Å; D39-Y41 HydrophobicContact CB-CE2 3.5Å; D39-Y41 VanDerWaalsContact CB-CE2 3.5Å; D39-D58 HydrophobicContact CB-CB 4.44Å; D39-D58 PolarHBondContact N-O 3.31Å; D39-D58 PolarHBondContact O-N 3.47Å |
| 40 | F | 91.4 | Very high | 85 | Confident | 146 Ų | 146 | 97.3 Ų | 97.3 | 64% | 0.64 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 126.9 | 175.9 | -70.5 | -89.8 | 0 | 0 | 0 | 110.5 | E38 I56 L57 | E38-F40 HydrophobicContact CG-CE2 4.08Å; E38-F40 WeakPolarHBondContact OE1-CE2 3.39Å; F40-I56 WeakPolarHBondContact CA-O 3.47Å; F40-L57 HydrophobicContact CD1-CD1 3.81Å; F40-L57 HydrophobicContact CD2-CD1 4.17Å; F40-L57 HydrophobicContact CE1-CB 4.34Å; F40-L57 HydrophobicContact CE1-CD1 3.43Å; F40-L57 VanDerWaalsContact CE1-CD1 3.43Å; F40-L57 HydrophobicContact CE1-CD2 4.45Å; F40-L57 HydrophobicContact CE1-CG 4.28Å; F40-L57 HydrophobicContact CE2-CD1 3.82Å; F40-L57 HydrophobicContact CG-CD1 4.17Å; F40-L57 HydrophobicContact CZ-CD1 3.43Å; F40-L57 VanDerWaalsContact CZ-CD1 3.43Å |
| 41 | Y | 95.1 | Very high | 85.6 | Confident | 45 Ų | 45 | 96.6 Ų | 96.6 | 18% | 0.176 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 150.4 | 174.5 | -58.7 | -93.9 | 0 | 0 | 0 | 110.6 | T21 V22 V25 Y33 D39 E55 I56 D58 | T21-Y41 HydrophobicContact CG2-CD1 4.49Å; T21-Y41 HydrophobicContact CG2-CD2 3.31Å; T21-Y41 HydrophobicContact CG2-CE2 3.7Å; T21-Y41 HydrophobicContact CG2-CG 3.74Å; V22-Y41 HydrophobicContact CG2-CE1 4.26Å; V25-Y41 HydrophobicContact CB-CD1 4.46Å; V25-Y41 HydrophobicContact CG1-CD1 4.26Å; V25-Y41 HydrophobicContact CG2-CD1 4.22Å; V25-Y41 HydrophobicContact CG2-CG 4.22Å; Y33-Y41 PolarHBondContact OH-OH 3.16Å; Y33-Y41 VanDerWaalsContact OH-OH 3.1Å; D39-Y41 HydrophobicContact CB-CD2 4.32Å; D39-Y41 HydrophobicContact CB-CE2 3.5Å; D39-Y41 VanDerWaalsContact CB-CE2 3.5Å; Y41-E55 CarbonylContact O-C 3.58Å; Y41-E55 WeakPolarHBondContact O-CA 3.47Å; Y41-I56 PolarHBondContact N-O 3.1Å; Y41-I56 PolarHBondContact O-N 3.42Å; Y41-D58 HydrophobicContact CD2-CB 4.46Å; Y41-D58 HydrophobicContact CE2-CB 4.06Å |
| 42 | R | 96.5 | Very high | 86.6 | Confident | 139 Ų | 139 | 89.2 Ų | 89.2 | 53% | 0.525 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 131.2 | 175.2 | -167.8 | 172.5 | -176.7 | -101.2 | 2.8 | 109.6 | E4 V53 L54 E55 | E4-R42 IonicContact OE1-NH2 3Å; E4-R42 PolarHBondContact OE1-NH2 2.99Å; R42-V53 HydrophobicContact CG-CG1 3.71Å; R42-L54 CarbonylContact C-O 3.56Å; R42-L54 VanDerWaalsContact CA-O 3.26Å; R42-L54 WeakPolarHBondContact CA-O 3.34Å; R42-E55 HydrophobicContact CG-CG 4.49Å |
| 43 | K | 96.8 | Very high | 87.9 | Confident | 55 Ų | 55 | 80.1 Ų | 80.1 | 24% | 0.239 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 132.6 | 177.7 | -163.1 | -170.1 | -177.5 | -177.9 | 0 | 111.1 | F24 I45 L54 | F24-K43 HydrophobicContact CD1-CD 3.87Å; F24-K43 HydrophobicContact CE1-CB 4.19Å; F24-K43 HydrophobicContact CE1-CD 3.49Å; F24-K43 VanDerWaalsContact CE1-CD 3.49Å; F24-K43 HydrophobicContact CE1-CG 4.44Å; F24-K43 HydrophobicContact CE2-CD 4.22Å; F24-K43 HydrophobicContact CG-CD 4.41Å; F24-K43 HydrophobicContact CZ-CD 3.72Å; F24-K43 WeakPolarHBondContact O-CE 3.49Å; F24-K43 PolarHBondContact O-NZ 2.73Å; K43-I45 HydrophobicContact CD-CG2 3.88Å; K43-I45 HydrophobicContact CG-CG2 4.16Å; K43-L54 PolarHBondContact N-O 2.78Å; K43-L54 PolarHBondContact O-N 3.14Å |
| 44 | E | 97.4 | Very high | 89.3 | Confident | 120 Ų | 120 | 75.8 Ų | 75.8 | 56% | 0.561 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 132.4 | 166.5 | -58.4 | -170.2 | 171.6 | 0 | 0 | 109.4 | M2 S52 V53 | M2-E44 WeakPolarHBondContact CE-OE1 3.44Å; E44-S52 WeakPolarHBondContact CA-O 3.43Å; E44-V53 HydrophobicContact CG-CG2 4.32Å |
| 45 | I | 96.3 | Very high | 90.5 | Very high | 28 Ų | 28 | 71.9 Ų | 71.9 | 14% | 0.144 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 165.3 | 176.9 | 66.6 | 173.2 | 0 | 0 | 0 | 111 | F24 K43 V47 S52 L54 V162 | F24-I45 HydrophobicContact CE1-CG2 4.4Å; F24-I45 HydrophobicContact CE2-CG2 4.32Å; F24-I45 HydrophobicContact CZ-CD1 4.38Å; F24-I45 HydrophobicContact CZ-CG2 3.62Å; K43-I45 HydrophobicContact CD-CG2 3.88Å; K43-I45 HydrophobicContact CG-CG2 4.16Å; I45-V47 HydrophobicContact CD1-CG2 3.42Å; I45-V47 VanDerWaalsContact CD1-CG2 3.42Å; I45-V47 HydrophobicContact CG1-CG2 3.94Å; I45-S52 PolarHBondContact N-O 3.04Å; I45-S52 PolarHBondContact O-N 3.28Å; I45-S52 VanDerWaalsContact O-O 3.04Å; I45-L54 HydrophobicContact CD1-CD1 3.39Å; I45-L54 HydrophobicContact CD1-CD2 3.76Å; I45-L54 HydrophobicContact CD1-CG 4.17Å; I45-L54 HydrophobicContact CG1-CD1 3.7Å; I45-V162 HydrophobicContact CD1-CG2 4.26Å |
| 46 | E | 95.2 | Very high | 91.7 | Very high | 134 Ų | 134 | 66 Ų | 66 | 63% | 0.626 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 122.7 | 168.5 | -169.8 | 178.5 | 127.9 | 0 | 0 | 108.6 | S49 | E46-S49 WeakPolarHBondContact OE1-CA 3.41Å |
| 47 | V | 95.2 | Very high | 93 | Very high | 5 Ų | 5 | 65.7 Ų | 65.7 | 3% | 0.03 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 121.8 | 175.6 | -178.4 | 0 | 0 | 0 | 0 | 107.7 | I45 S49 S50 A159 V162 R163 | I45-V47 HydrophobicContact CD1-CG2 3.42Å; I45-V47 VanDerWaalsContact CD1-CG2 3.42Å; I45-V47 HydrophobicContact CG1-CG2 3.94Å; V47-S49 VanDerWaalsContact C-N 3.25Å; V47-S49 PolarHBondContact O-N 3.05Å; V47-S50 PolarHBondContact N-O 2.84Å; V47-S50 WeakPolarHBondContact O-CA 3.35Å; V47-S50 VanDerWaalsContact O-CB 3.29Å; V47-S50 WeakPolarHBondContact O-CB 3.22Å; V47-S50 PolarHBondContact O-N 3.41Å; V47-A159 HydrophobicContact CG1-CB 4.4Å; V47-A159 HydrophobicContact CG2-CB 4.18Å; V47-V162 HydrophobicContact CB-CG1 4.11Å; V47-V162 HydrophobicContact CG1-CB 4.32Å; V47-V162 HydrophobicContact CG1-CG1 4.16Å; V47-V162 HydrophobicContact CG2-CB 4.05Å; V47-V162 HydrophobicContact CG2-CG1 4Å; V47-V162 HydrophobicContact CG2-CG2 4.31Å; V47-R163 HydrophobicContact CG1-CG 3.82Å |
| 48 | D | 93.8 | Very high | 93.9 | Very high | 103 Ų | 103 | 58.7 Ų | 58.7 | 55% | 0.551 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 48 | -178.7 | -50.7 | -24.6 | 0 | 0 | 0 | 112.1 | S50 R163 | D48-S50 PolarHBondContact O-N 3.38Å; D48-S50 VanDerWaalsContact O-N 3.16Å; D48-R163 IonicContact OD1-CZ 2.89Å; D48-R163 IonicContact OD1-NE 3.95Å; D48-R163 PolarHBondContact OD1-NE 3.04Å; D48-R163 IonicContact OD1-NH2 2.7Å; D48-R163 PolarHBondContact OD1-NH2 2.91Å; D48-R163 VanDerWaalsContact OD2-CD 3.28Å; D48-R163 WeakPolarHBondContact OD2-CD 3.26Å; D48-R163 WeakPolarHBondContact OD2-CG 3.48Å; D48-R163 IonicContact OD2-NE 3.27Å; D48-R163 PolarHBondContact OD2-NE 3.16Å; D48-R163 VanDerWaalsContact OD2-NE 3.16Å |
| 49 | S | 92.1 | Very high | 94.5 | Very high | 100 Ų | 100 | 54.8 Ų | 54.8 | 70% | 0.699 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 17.7 | -176.7 | -56.4 | 0 | 0 | 0 | 0 | 115.7 | E46 V47 | E46-S49 WeakPolarHBondContact OE1-CA 3.41Å; V47-S49 VanDerWaalsContact C-N 3.25Å; V47-S49 PolarHBondContact O-N 3.05Å |
| 50 | S | 92.9 | Very high | 94.2 | Very high | 62 Ų | 62 | 52.8 Ų | 52.8 | 43% | 0.434 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 111.5 | 177.3 | -62 | 0 | 0 | 0 | 0 | 111.3 | V47 D48 S52 | V47-S50 PolarHBondContact N-O 2.84Å; V47-S50 WeakPolarHBondContact O-CA 3.35Å; V47-S50 VanDerWaalsContact O-CB 3.29Å; V47-S50 WeakPolarHBondContact O-CB 3.22Å; V47-S50 PolarHBondContact O-N 3.41Å; D48-S50 PolarHBondContact O-N 3.38Å; D48-S50 VanDerWaalsContact O-N 3.16Å; S50-S52 PolarHBondContact O-N 3.44Å; S50-S52 PolarHBondContact O-OG 3.29Å; S50-S52 VanDerWaalsContact O-OG 3.07Å |
| 51 | P | 94.8 | Very high | 92.9 | Very high | 74 Ų | 74 | 46.8 Ų | 46.8 | 48% | 0.481 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 125.3 | 174.8 | -25.4 | 35.2 | 0 | 0 | 0 | 112 | M2 | M2-P51 HydrophobicContact CG-CB 3.92Å; M2-P51 HydrophobicContact SD-CB 4.17Å |
| 52 | S | 95.7 | Very high | 91.2 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 151.1 | -171.6 | -61.7 | 0 | 0 | 0 | 0 | 110.8 | R3 Y5 E44 I45 S50 | R3-S52 CarbonylContact O-C 3.44Å; R3-S52 WeakPolarHBondContact O-CA 3.34Å; Y5-S52 WeakPolarHBondContact CE2-OG 3.38Å; E44-S52 WeakPolarHBondContact CA-O 3.43Å; I45-S52 PolarHBondContact N-O 3.04Å; I45-S52 PolarHBondContact O-N 3.28Å; I45-S52 VanDerWaalsContact O-O 3.04Å; S50-S52 PolarHBondContact O-N 3.44Å; S50-S52 PolarHBondContact O-OG 3.29Å; S50-S52 VanDerWaalsContact O-OG 3.07Å |
| 53 | V | 97.1 | Very high | 89.4 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 127.6 | 171.7 | -179.1 | 0 | 0 | 0 | 0 | 108.3 | M2 R3 E4 Y5 R42 E44 | M2-V53 HydrophobicContact CB-CG2 3.97Å; M2-V53 HydrophobicContact SD-CG2 4.16Å; R3-V53 PolarHBondContact O-N 2.9Å; E4-V53 CarbonylContact C-O 3.58Å; E4-V53 WeakPolarHBondContact CA-O 3.5Å; E4-V53 HydrophobicContact CG-CB 4.11Å; E4-V53 HydrophobicContact CG-CG2 4.49Å; Y5-V53 PolarHBondContact N-O 2.93Å; R42-V53 HydrophobicContact CG-CG1 3.71Å; E44-V53 HydrophobicContact CG-CG2 4.32Å |
| 54 | L | 97.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 125.1 | 172.3 | -86.5 | 58.2 | 0 | 0 | 0 | 109.2 | Y5 V7 F24 R42 K43 I45 I56 F158 V162 | Y5-L54 HydrophobicContact CD2-CD1 4.3Å; Y5-L54 WeakPolarHBondContact O-CA 3.49Å; V7-L54 HydrophobicContact CG2-CG 4.47Å; F24-L54 HydrophobicContact CE1-CD2 4.27Å; F24-L54 HydrophobicContact CZ-CD2 4.32Å; R42-L54 CarbonylContact C-O 3.56Å; R42-L54 VanDerWaalsContact CA-O 3.26Å; R42-L54 WeakPolarHBondContact CA-O 3.34Å; K43-L54 PolarHBondContact N-O 2.78Å; K43-L54 PolarHBondContact O-N 3.14Å; I45-L54 HydrophobicContact CD1-CD1 3.39Å; I45-L54 HydrophobicContact CD1-CD2 3.76Å; I45-L54 HydrophobicContact CD1-CG 4.17Å; I45-L54 HydrophobicContact CG1-CD1 3.7Å; L54-I56 HydrophobicContact CB-CG1 4.16Å; L54-F158 HydrophobicContact CD2-CB 4.14Å; L54-F158 HydrophobicContact CD2-CD1 4.26Å; L54-V162 HydrophobicContact CD1-CG2 3.56Å; L54-V162 HydrophobicContact CD2-CG2 3.9Å; L54-V162 HydrophobicContact CG-CG2 3.98Å |
| 55 | E | 97.8 | Very high | 85.8 | Confident | 62 Ų | 62 | 50.5 Ų | 50.5 | 29% | 0.29 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 113.2 | 162 | -61.8 | -173.8 | 158.6 | 0 | 0 | 107.3 | Y5 K6 V7 Y41 R42 | Y5-E55 PolarHBondContact O-N 3.06Å; K6-E55 CarbonylContact C-O 3.44Å; K6-E55 WeakPolarHBondContact CA-O 3.18Å; K6-E55 WeakPolarHBondContact CE-OE2 3.21Å; K6-E55 HydrophobicContact CG-CB 4.37Å; V7-E55 PolarHBondContact N-O 3.16Å; Y41-E55 CarbonylContact O-C 3.58Å; Y41-E55 WeakPolarHBondContact O-CA 3.47Å; R42-E55 HydrophobicContact CG-CG 4.49Å |
| 56 | I | 98 | Very high | 84.4 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 123 | -175.2 | -53.3 | 164.9 | 0 | 0 | 0 | 108 | V7 V9 T21 F24 V25 F40 Y41 L54 F158 | V7-I56 WeakPolarHBondContact O-CA 3.49Å; V9-I56 HydrophobicContact CG2-CG2 3.73Å; T21-I56 HydrophobicContact CG2-CB 4.27Å; T21-I56 HydrophobicContact CG2-CD1 4.34Å; T21-I56 HydrophobicContact CG2-CG2 3.74Å; F24-I56 HydrophobicContact CD1-CD1 3.68Å; F24-I56 HydrophobicContact CE1-CD1 3.78Å; V25-I56 HydrophobicContact CG2-CD1 4.23Å; F40-I56 WeakPolarHBondContact CA-O 3.47Å; Y41-I56 PolarHBondContact N-O 3.1Å; Y41-I56 PolarHBondContact O-N 3.42Å; L54-I56 HydrophobicContact CB-CG1 4.16Å; I56-F158 HydrophobicContact CD1-CD1 3.93Å; I56-F158 HydrophobicContact CD1-CE1 3.65Å; I56-F158 HydrophobicContact CD1-CZ 4.37Å; I56-F158 HydrophobicContact CG1-CD1 4.48Å; I56-F158 HydrophobicContact CG1-CE1 4.19Å; I56-F158 HydrophobicContact CG2-CE1 4.16Å |
| 57 | L | 95.5 | Very high | 83.2 | Confident | 13 Ų | 13 | 50.3 Ų | 50.3 | 7% | 0.068 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 110.5 | 168.8 | -178 | 59.6 | 0 | 0 | 0 | 109.6 | V7 V8 V9 E38 F40 T59 Y72 | V7-L57 PolarHBondContact O-N 2.81Å; V8-L57 HydrophobicContact CG1-CB 4.47Å; V8-L57 HydrophobicContact CG1-CD2 4.24Å; V8-L57 HydrophobicContact CG2-CB 4.35Å; V8-L57 HydrophobicContact CG2-CD2 4.35Å; V9-L57 PolarHBondContact N-O 3.15Å; E38-L57 HydrophobicContact CG-CD1 3.29Å; E38-L57 HydrophobicContact CG-CG 4.38Å; F40-L57 HydrophobicContact CD1-CD1 3.81Å; F40-L57 HydrophobicContact CD2-CD1 4.17Å; F40-L57 HydrophobicContact CE1-CB 4.34Å; F40-L57 HydrophobicContact CE1-CD1 3.43Å; F40-L57 VanDerWaalsContact CE1-CD1 3.43Å; F40-L57 HydrophobicContact CE1-CD2 4.45Å; F40-L57 HydrophobicContact CE1-CG 4.28Å; F40-L57 HydrophobicContact CE2-CD1 3.82Å; F40-L57 HydrophobicContact CG-CD1 4.17Å; F40-L57 HydrophobicContact CZ-CD1 3.43Å; F40-L57 VanDerWaalsContact CZ-CD1 3.43Å; L57-T59 HydrophobicContact CD2-CG2 4.4Å; L57-T59 HydrophobicContact CG-CG2 4.16Å; L57-Y72 HydrophobicContact CD2-CD1 4.29Å; L57-Y72 HydrophobicContact CD2-CG 3.89Å |
| 58 | D | 91.4 | Very high | 82.3 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 121.1 | 169.1 | -177.2 | 42.3 | 0 | 0 | 0 | 109.5 | K17 S18 T36 E38 D39 Y41 | K17-D58 WeakPolarHBondContact CB-OD1 3.31Å; S18-D58 VanDerWaalsContact CA-OD2 3.23Å; S18-D58 WeakPolarHBondContact CA-OD2 3.33Å; S18-D58 WeakPolarHBondContact CB-OD2 3.3Å; S18-D58 PolarHBondContact N-OD1 3.24Å; S18-D58 PolarHBondContact OG-OD2 3.42Å; T36-D58 WeakPolarHBondContact CG2-OD2 3.31Å; T36-D58 PolarHBondContact OG1-OD2 3.15Å; E38-D58 WeakPolarHBondContact CA-O 3.35Å; D39-D58 HydrophobicContact CB-CB 4.44Å; D39-D58 PolarHBondContact N-O 3.31Å; D39-D58 PolarHBondContact O-N 3.47Å; Y41-D58 HydrophobicContact CD2-CB 4.46Å; Y41-D58 HydrophobicContact CE2-CB 4.06Å |
| 59 | T | 87.3 | Confident | 81.8 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 156.5 | -175.4 | 77.5 | 0 | 0 | 0 | 0 | 111.9 | V8 V9 L10 K17 L57 Y72 | V8-T59 HydrophobicContact CG1-CG2 3.91Å; V9-T59 PolarHBondContact O-OG1 3.4Å; L10-T59 HydrophobicContact CD2-CG2 3.83Å; K17-T59 WeakPolarHBondContact CE-O 3.4Å; L57-T59 HydrophobicContact CD2-CG2 4.4Å; L57-T59 HydrophobicContact CG-CG2 4.16Å; T59-Y72 HydrophobicContact CG2-CE1 4.19Å; T59-Y72 HydrophobicContact CG2-CE2 4.4Å |
| 60 | A | 80.9 | Confident | 81.6 | Confident | 17 Ų | 17 | 52.2 Ų | 52.2 | 14% | 0.14 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 146.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | T36 I37 T62 | T36-A60 WeakPolarHBondContact O-CA 3.48Å; T36-A60 WeakPolarHBondContact O-CB 3.11Å; I37-A60 VanDerWaalsContact O-CB 3.29Å; I37-A60 WeakPolarHBondContact O-CB 3.44Å; I37-A60 PolarHBondContact O-N 3Å; A60-T62 PolarHBondContact O-N 3.06Å |
| 61 | G | 64 | Low | 81.4 | Confident | 20 Ų | 20 | 54.2 Ų | 54.2 | 21% | 0.206 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -79.8 | 1.2 | 176 | 0 | 0 | 0 | 0 | 0 | 115.4 | G11 S12 G13 | G11-G61 WeakPolarHBondContact O-CA 3.25Å; S12-G61 CarbonylContact C-O 3.58Å; G13-G61 PolarHBondContact N-O 3.15Å |
| 62 | T | 58.4 | Low | 81.2 | Confident | 106 Ų | 106 | 51.4 Ų | 51.4 | 65% | 0.65 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -148.1 | 97.2 | -179.5 | 48.2 | 0 | 0 | 0 | 0 | 108.6 | A60 | A60-T62 PolarHBondContact O-N 3.06Š|
| 63 | E | 60 | Low | 81 | Confident | 38 Ų | 38 | 51.4 Ų | 51.4 | 18% | 0.178 | 28% | 0.28 | C | S | . | . | trans | -95.3 | 116.2 | 177.6 | -45 | -160.6 | 136.8 | 0 | 0 | 110.8 | F65 R69 Y72 | E63-F65 PolarHBondContact O-N 3.29Å; E63-R69 WeakPolarHBondContact OE2-CA 3.5Å; E63-R69 VanDerWaalsContact OE2-CB 3.23Å; E63-R69 WeakPolarHBondContact OE2-CB 3.49Å; E63-R69 IonicContact OE2-NE 3.32Å; E63-R69 PolarHBondContact OE2-NE 2.84Å; E63-Y72 VanDerWaalsContact CD-CE1 3.48Å; E63-Y72 WeakPolarHBondContact OE1-CE1 3.48Å; E63-Y72 PolarHBondContact OE1-OH 3.01Å; E63-Y72 VanDerWaalsContact OE2-CE1 3.28Å; E63-Y72 WeakPolarHBondContact OE2-CE1 3.49Å; E63-Y72 PolarHBondContact OE2-OH 2.79Å | ||
| 64 | Q | 53.4 | Low | 80.8 | Confident | 170 Ų | 170 | 58.3 Ų | 58.3 | 79% | 0.794 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -74.9 | -0 | 175.8 | -66.3 | 170.3 | -1.7 | 0 | 0 | 112.3 | ||
| 65 | F | 63.9 | Low | 80.6 | Confident | 123 Ų | 123 | 62.8 Ų | 62.8 | 54% | 0.539 | 33% | 0.334 | S | S | . | . | trans | -137.4 | 97.4 | -175.4 | -58.6 | -75.2 | 0 | 0 | 0 | 112.5 | E63 S67 M68 | E63-F65 PolarHBondContact O-N 3.29Å; F65-S67 PolarHBondContact O-N 2.69Å; F65-M68 HydrophobicContact CB-CG 4.38Å; F65-M68 HydrophobicContact CB-SD 4.42Å; F65-M68 PolarHBondContact O-N 2.75Å; F65-M68 VanDerWaalsContact O-N 3.13Å | ||
| 66 | A | 66.8 | Low | 80.5 | Confident | 68 Ų | 68 | 60 Ų | 60 | 56% | 0.562 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -56 | -23.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R69 D70 | A66-R69 WeakPolarHBondContact O-CB 3.25Å; A66-R69 PolarHBondContact O-N 2.96Å; A66-D70 PolarHBondContact O-N 2.93Å |
| 67 | S | 70.3 | Confident | 80.5 | Confident | 91 Ų | 91 | 63.9 Ų | 63.9 | 64% | 0.636 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -71.6 | -34.7 | 178.4 | 49.6 | 0 | 0 | 0 | 0 | 113.7 | F65 R69 L71 | F65-S67 PolarHBondContact O-N 2.69Å; S67-R69 VanDerWaalsContact C-N 3.32Å; S67-L71 PolarHBondContact O-N 2.76Å |
| 68 | M | 77.1 | Confident | 80.6 | Confident | 117 Ų | 117 | 63.2 Ų | 63.2 | 58% | 0.576 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -67.9 | -39.3 | 174.9 | -69.4 | -177.9 | 174.1 | 0 | 0 | 110.1 | F65 D70 L71 Y72 | F65-M68 HydrophobicContact CB-CG 4.38Å; F65-M68 HydrophobicContact CB-SD 4.42Å; F65-M68 PolarHBondContact O-N 2.75Å; F65-M68 VanDerWaalsContact O-N 3.13Å; M68-D70 PolarHBondContact O-N 3.39Å; M68-L71 WeakPolarHBondContact O-CB 3.26Å; M68-L71 PolarHBondContact O-N 3.04Å; M68-L71 VanDerWaalsContact O-N 3.09Å; M68-Y72 WeakPolarHBondContact O-CD1 3.44Å; M68-Y72 PolarHBondContact O-N 3.13Å |
| 69 | R | 82.6 | Confident | 80.9 | Confident | 62 Ų | 62 | 63.2 Ų | 63.2 | 23% | 0.234 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -53.2 | -53.3 | 174.5 | -169.2 | 163.1 | -56.8 | 167.6 | 9.2 | 114.1 | E63 A66 S67 L71 Y72 I73 Q100 | E63-R69 WeakPolarHBondContact OE2-CA 3.5Å; E63-R69 VanDerWaalsContact OE2-CB 3.23Å; E63-R69 WeakPolarHBondContact OE2-CB 3.49Å; E63-R69 IonicContact OE2-NE 3.32Å; E63-R69 PolarHBondContact OE2-NE 2.84Å; A66-R69 WeakPolarHBondContact O-CB 3.25Å; A66-R69 PolarHBondContact O-N 2.96Å; S67-R69 VanDerWaalsContact C-N 3.32Å; R69-L71 PolarHBondContact O-N 2.93Å; R69-Y72 VanDerWaalsContact CA-CZ 3.43Å; R69-Y72 HydrophobicContact CB-CE1 4.25Å; R69-Y72 HydrophobicContact CG-CE1 4.43Å; R69-Y72 HydrophobicContact CG-CE2 3.93Å; R69-Y72 VanDerWaalsContact CG-OH 3.28Å; R69-Y72 WeakPolarHBondContact CG-OH 3.3Å; R69-Y72 WeakPolarHBondContact O-CD2 3.4Å; R69-Y72 WeakPolarHBondContact O-CE2 3.36Å; R69-Y72 PolarHBondContact O-N 3.27Å; R69-I73 HydrophobicContact CG-CD1 3.7Å; R69-I73 HydrophobicContact CG-CG1 4.43Å; R69-I73 WeakPolarHBondContact O-CB 3.24Å; R69-I73 VanDerWaalsContact O-CG1 3.25Å; R69-I73 WeakPolarHBondContact O-CG1 3.28Å; R69-I73 PolarHBondContact O-N 2.94Å; R69-Q100 VanDerWaalsContact CD-NE2 3.27Å |
| 70 | D | 88.9 | Confident | 81.4 | Confident | 69 Ų | 69 | 63.2 Ų | 63.2 | 37% | 0.369 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.8 | -29.5 | -178.6 | -75 | 0.2 | 0 | 0 | 0 | 111.5 | A66 M68 K74 Q100 V104 | A66-D70 PolarHBondContact O-N 2.93Å; M68-D70 PolarHBondContact O-N 3.39Å; D70-K74 WeakPolarHBondContact O-CB 3.46Å; D70-K74 PolarHBondContact O-N 2.83Å; D70-Q100 PolarHBondContact OD1-NE2 3.2Å; D70-V104 HydrophobicContact CB-CG2 4.33Å; D70-V104 WeakPolarHBondContact OD1-CG2 3.29Å |
| 71 | L | 88.8 | Confident | 82.2 | Confident | 103 Ų | 103 | 62.4 Ų | 62.4 | 54% | 0.539 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.1 | -51.7 | 179.5 | -177.4 | 61.9 | 0 | 0 | 0 | 112 | S67 M68 R69 I73 K74 N75 | S67-L71 PolarHBondContact O-N 2.76Å; M68-L71 WeakPolarHBondContact O-CB 3.26Å; M68-L71 PolarHBondContact O-N 3.04Å; M68-L71 VanDerWaalsContact O-N 3.09Å; R69-L71 PolarHBondContact O-N 2.93Å; L71-I73 VanDerWaalsContact C-N 3.33Å; L71-K74 WeakPolarHBondContact O-CB 3.2Å; L71-K74 PolarHBondContact O-N 3.08Å; L71-N75 WeakPolarHBondContact O-CB 3.46Å; L71-N75 VanDerWaalsContact O-CG 3.3Å; L71-N75 PolarHBondContact O-N 3.14Å; L71-N75 PolarHBondContact O-ND2 2.89Å |
| 72 | Y | 88.9 | Confident | 83.9 | Confident | 15 Ų | 15 | 61.4 Ų | 61.4 | 6% | 0.059 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70.6 | -31 | 178 | 59.1 | -114 | 0 | 0 | 0 | 112.3 | V8 L10 L57 T59 E63 M68 R69 K74 N75 G76 | V8-Y72 HydrophobicContact CG1-CD2 3.72Å; V8-Y72 HydrophobicContact CG1-CE2 4.14Å; V8-Y72 HydrophobicContact CG1-CG 4.4Å; L10-Y72 HydrophobicContact CD1-CE2 4.36Å; L10-Y72 HydrophobicContact CD2-CD2 4.4Å; L10-Y72 HydrophobicContact CD2-CE2 3.48Å; L10-Y72 VanDerWaalsContact CD2-CE2 3.48Å; L57-Y72 HydrophobicContact CD2-CD1 4.29Å; L57-Y72 HydrophobicContact CD2-CG 3.89Å; T59-Y72 HydrophobicContact CG2-CE1 4.19Å; T59-Y72 HydrophobicContact CG2-CE2 4.4Å; E63-Y72 VanDerWaalsContact CD-CE1 3.48Å; E63-Y72 WeakPolarHBondContact OE1-CE1 3.48Å; E63-Y72 PolarHBondContact OE1-OH 3.01Å; E63-Y72 VanDerWaalsContact OE2-CE1 3.28Å; E63-Y72 WeakPolarHBondContact OE2-CE1 3.49Å; E63-Y72 PolarHBondContact OE2-OH 2.79Å; M68-Y72 WeakPolarHBondContact O-CD1 3.44Å; M68-Y72 PolarHBondContact O-N 3.13Å; R69-Y72 VanDerWaalsContact CA-CZ 3.43Å; R69-Y72 HydrophobicContact CB-CE1 4.25Å; R69-Y72 HydrophobicContact CG-CE1 4.43Å; R69-Y72 HydrophobicContact CG-CE2 3.93Å; R69-Y72 VanDerWaalsContact CG-OH 3.28Å; R69-Y72 WeakPolarHBondContact CG-OH 3.3Å; R69-Y72 WeakPolarHBondContact O-CD2 3.4Å; R69-Y72 WeakPolarHBondContact O-CE2 3.36Å; R69-Y72 PolarHBondContact O-N 3.27Å; Y72-K74 VanDerWaalsContact C-N 3.32Å; Y72-K74 PolarHBondContact O-N 3.28Å; Y72-N75 PolarHBondContact O-N 2.95Å; Y72-G76 PolarHBondContact O-N 2.98Å |
| 73 | I | 92.9 | Very high | 85.8 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 172.6 | -67.2 | 172.4 | 0 | 0 | 0 | 109.6 | R69 L71 N75 F79 Q100 I101 V104 K105 | R69-I73 HydrophobicContact CG-CD1 3.7Å; R69-I73 HydrophobicContact CG-CG1 4.43Å; R69-I73 WeakPolarHBondContact O-CB 3.24Å; R69-I73 VanDerWaalsContact O-CG1 3.25Å; R69-I73 WeakPolarHBondContact O-CG1 3.28Å; R69-I73 PolarHBondContact O-N 2.94Å; L71-I73 VanDerWaalsContact C-N 3.33Å; I73-N75 VanDerWaalsContact C-N 3.3Å; I73-N75 PolarHBondContact O-N 2.95Å; I73-F79 HydrophobicContact CB-CE1 4.34Å; I73-F79 HydrophobicContact CG1-CE1 4.24Å; I73-F79 HydrophobicContact CG2-CE1 4.22Å; I73-F79 HydrophobicContact CG2-CZ 4.09Å; I73-F79 WeakPolarHBondContact O-CZ 3.48Å; I73-Q100 HydrophobicContact CD1-CG 3.9Å; I73-I101 HydrophobicContact CD1-CG1 4.05Å; I73-I101 HydrophobicContact CG1-CG1 4.26Å; I73-I101 HydrophobicContact CG2-CB 4.38Å; I73-I101 HydrophobicContact CG2-CG1 4.33Å; I73-I101 HydrophobicContact CG2-CG2 4.38Å; I73-V104 HydrophobicContact CB-CB 4.32Å; I73-V104 HydrophobicContact CB-CG1 4.05Å; I73-V104 HydrophobicContact CG2-CB 3.55Å; I73-V104 HydrophobicContact CG2-CG1 3.6Å; I73-V104 HydrophobicContact CG2-CG2 4.19Å; I73-K105 HydrophobicContact CG2-CG 4.37Å; I73-K105 WeakPolarHBondContact O-CE 3.33Å; I73-K105 PolarHBondContact O-NZ 2.82Å |
| 74 | K | 93.2 | Very high | 87.6 | Confident | 147 Ų | 147 | 54.7 Ų | 54.7 | 64% | 0.639 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -60.4 | -41.9 | 176.4 | -174.5 | 178 | 180 | -176.8 | 0 | 111.3 | D70 L71 Y72 V104 K105 | D70-K74 WeakPolarHBondContact O-CB 3.46Å; D70-K74 PolarHBondContact O-N 2.83Å; L71-K74 WeakPolarHBondContact O-CB 3.2Å; L71-K74 PolarHBondContact O-N 3.08Å; Y72-K74 VanDerWaalsContact C-N 3.32Å; Y72-K74 PolarHBondContact O-N 3.28Å; K74-V104 HydrophobicContact CB-CG1 4.14Å; K74-K105 PolarHBondContact O-NZ 2.89Å |
| 75 | N | 92.9 | Very high | 89.8 | Confident | 94 Ų | 94 | 46.7 Ų | 46.7 | 50% | 0.503 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -84.8 | -27.6 | -174.8 | -66.2 | -22.9 | 0 | 0 | 0 | 115.1 | L71 Y72 I73 | L71-N75 WeakPolarHBondContact O-CB 3.46Å; L71-N75 VanDerWaalsContact O-CG 3.3Å; L71-N75 PolarHBondContact O-N 3.14Å; L71-N75 PolarHBondContact O-ND2 2.89Å; Y72-N75 PolarHBondContact O-N 2.95Å; I73-N75 VanDerWaalsContact C-N 3.3Å; I73-N75 PolarHBondContact O-N 2.95Å |
| 76 | G | 95.8 | Very high | 91.4 | Very high | 3 Ų | 3 | 41.9 Ų | 41.9 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | trans | -71.1 | 139.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y72 K105 | Y72-G76 PolarHBondContact O-N 2.98Å; G76-K105 WeakPolarHBondContact O-CE 3.42Å; G76-K105 PolarHBondContact O-NZ 3.47Å | ||
| 77 | Q | 96.6 | Very high | 92.9 | Very high | 81 Ų | 81 | 41.7 Ų | 41.7 | 38% | 0.379 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -93.5 | -29.1 | 178.8 | -68 | 169.7 | -56.7 | 0 | 0 | 112.6 | K6 P111 M165 | K6-Q77 HydrophobicContact CB-CG 4.33Å; K6-Q77 WeakPolarHBondContact O-CA 3.44Å; K6-Q77 WeakPolarHBondContact O-CB 3.28Å; K6-Q77 PolarHBondContact O-N 2.9Å; Q77-P111 WeakPolarHBondContact O-CD 3.3Å; Q77-P111 WeakPolarHBondContact O-CG 3.32Å; Q77-M165 VanDerWaalsContact C-SD 3.59Å; Q77-M165 HydrophobicContact CB-CG 4.42Å; Q77-M165 HydrophobicContact CB-SD 3.56Å; Q77-M165 VanDerWaalsContact CB-SD 3.56Å |
| 78 | G | 97.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 152.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K6 V7 V8 P111 M165 | K6-G78 PolarHBondContact O-N 2.94Å; K6-G78 VanDerWaalsContact O-N 3.13Å; V7-G78 WeakPolarHBondContact CA-O 3.48Å; V8-G78 PolarHBondContact N-O 3.05Å; G78-P111 WeakPolarHBondContact CA-O 3.32Å; G78-M165 PolarHBondContact N-SD 2.9Å; G78-M165 VanDerWaalsContact N-SD 3.42Å |
| 79 | F | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 123.9 | -172.9 | -60.5 | -84.5 | 0 | 0 | 0 | 111.5 | V8 L10 I73 L81 I101 K105 V110 P111 M112 I113 | V8-F79 HydrophobicContact CB-CD1 4.01Å; V8-F79 HydrophobicContact CB-CE1 4.08Å; V8-F79 HydrophobicContact CG2-CE1 4.14Å; V8-F79 WeakPolarHBondContact O-CA 3.32Å; L10-F79 HydrophobicContact CD1-CD1 3.94Å; I73-F79 HydrophobicContact CB-CE1 4.34Å; I73-F79 HydrophobicContact CG1-CE1 4.24Å; I73-F79 HydrophobicContact CG2-CE1 4.22Å; I73-F79 HydrophobicContact CG2-CZ 4.09Å; I73-F79 WeakPolarHBondContact O-CZ 3.48Å; F79-L81 HydrophobicContact CB-CD1 4.01Å; F79-I101 HydrophobicContact CB-CD1 3.99Å; F79-I101 HydrophobicContact CD1-CD1 3.85Å; F79-I101 HydrophobicContact CD1-CG1 4.09Å; F79-I101 HydrophobicContact CD1-CG2 4.32Å; F79-I101 HydrophobicContact CD2-CG2 3.74Å; F79-I101 HydrophobicContact CE1-CG1 4.37Å; F79-I101 HydrophobicContact CE1-CG2 4.39Å; F79-I101 HydrophobicContact CE2-CG2 3.82Å; F79-I101 HydrophobicContact CG-CD1 3.89Å; F79-I101 HydrophobicContact CG-CG1 4.37Å; F79-I101 HydrophobicContact CG-CG2 4.02Å; F79-I101 HydrophobicContact CZ-CG2 4.16Å; F79-K105 HydrophobicContact CE2-CG 4.26Å; F79-V110 HydrophobicContact CD2-CG1 3.5Å; F79-V110 HydrophobicContact CE2-CG1 3.63Å; F79-P111 PolarHBondContact N-O 3.33Å; F79-M112 CarbonylContact O-C 3.59Å; F79-M112 VanDerWaalsContact O-CA 3.26Å; F79-M112 WeakPolarHBondContact O-CA 3.05Å; F79-I113 PolarHBondContact O-N 3.06Å |
| 80 | I | 98.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 114.3 | 170.3 | -61.4 | 174.9 | 0 | 0 | 0 | 107 | V7 V8 V9 L10 V82 I113 V115 L157 F158 I161 | V7-I80 HydrophobicContact CG1-CD1 3.66Å; V7-I80 HydrophobicContact CG1-CG1 3.83Å; V8-I80 PolarHBondContact O-N 3.46Å; V9-I80 HydrophobicContact CG1-CB 4.35Å; V9-I80 HydrophobicContact CG1-CG2 4.29Å; V9-I80 HydrophobicContact CG2-CB 4.46Å; V9-I80 HydrophobicContact CG2-CD1 4.34Å; L10-I80 PolarHBondContact N-O 3.5Å; I80-V82 HydrophobicContact CG2-CG2 3.7Å; I80-I113 HydrophobicContact CB-CG2 4.21Å; I80-I113 HydrophobicContact CG1-CG2 3.76Å; I80-I113 HydrophobicContact CG2-CG2 4.27Å; I80-V115 HydrophobicContact CG2-CG2 3.71Å; I80-L157 HydrophobicContact CD1-CD1 4.19Å; I80-L157 HydrophobicContact CD1-CG 4.21Å; I80-L157 HydrophobicContact CG1-CD1 4.31Å; I80-L157 HydrophobicContact CG2-CD1 3.99Å; I80-L157 HydrophobicContact CG2-CD2 4.2Å; I80-F158 HydrophobicContact CD1-CD1 3.83Å; I80-F158 HydrophobicContact CD1-CE1 3.63Å; I80-F158 HydrophobicContact CD1-CZ 4.22Å; I80-I161 HydrophobicContact CD1-CG2 4.19Å; I80-I161 HydrophobicContact CG1-CB 4.3Å; I80-I161 HydrophobicContact CG1-CG1 4.22Å; I80-I161 HydrophobicContact CG1-CG2 4.41Å |
| 81 | L | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 110 | 177.2 | -72.8 | 90.7 | 0 | 0 | 0 | 109.5 | F79 I94 M97 R98 I101 M112 I113 L114 V115 W139 | F79-L81 HydrophobicContact CB-CD1 4.01Å; L81-I94 HydrophobicContact CB-CD1 4.22Å; L81-I94 HydrophobicContact CB-CG1 3.84Å; L81-I94 HydrophobicContact CD2-CG1 4.06Å; L81-M97 HydrophobicContact CD2-CB 4.35Å; L81-R98 HydrophobicContact CD2-CB 3.85Å; L81-I101 HydrophobicContact CD1-CD1 3.99Å; L81-I101 HydrophobicContact CD2-CD1 4.2Å; L81-I101 HydrophobicContact CG-CD1 4.33Å; L81-M112 HydrophobicContact CD1-CE 3.78Å; L81-M112 HydrophobicContact CD1-CG 3.34Å; L81-M112 HydrophobicContact CD1-SD 3.48Å; L81-M112 WeakPolarHBondContact CD1-SD 3.48Å; L81-I113 PolarHBondContact N-O 2.91Å; L81-L114 HydrophobicContact CB-CD1 4.36Å; L81-V115 PolarHBondContact O-N 3.42Å; L81-W139 HydrophobicContact CD2-CZ3 4.28Å |
| 82 | V | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 126.4 | -174.1 | -168.8 | 0 | 0 | 0 | 0 | 110.1 | V9 L10 G11 V15 K17 L20 I80 I94 V115 N117 | V9-V82 HydrophobicContact CG1-CG2 3.69Å; L10-V82 PolarHBondContact O-N 3.09Å; G11-V82 VanDerWaalsContact CA-O 3.25Å; G11-V82 WeakPolarHBondContact CA-O 3.24Å; V15-V82 HydrophobicContact CB-CG1 4.27Å; V15-V82 HydrophobicContact CG2-CB 4Å; V15-V82 HydrophobicContact CG2-CG1 3.89Å; V15-V82 WeakPolarHBondContact CG2-O 3.25Å; K17-V82 HydrophobicContact CG-CB 4.24Å; K17-V82 HydrophobicContact CG-CG2 4.34Å; L20-V82 HydrophobicContact CD1-CG1 3.92Å; L20-V82 HydrophobicContact CD1-CG2 4.06Å; I80-V82 HydrophobicContact CG2-CG2 3.7Å; V82-I94 VanDerWaalsContact O-CD1 3.3Å; V82-I94 WeakPolarHBondContact O-CD1 3.41Å; V82-V115 WeakPolarHBondContact CA-O 3.04Å; V82-V115 HydrophobicContact CG1-CG1 4.47Å; V82-V115 HydrophobicContact CG2-CB 4.35Å; V82-N117 HydrophobicContact CG1-CB 3.77Å |
| 83 | Y | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 167.8 | 162.5 | 71.9 | -84.1 | 0 | 0 | 0 | 109.8 | L85 S90 F91 L114 V115 N117 V127 F143 | Y83-L85 HydrophobicContact CE2-CD2 3.75Å; Y83-S90 WeakPolarHBondContact CB-O 3.45Å; Y83-F91 AromaticContact CD1-CD2 3.85Å; Y83-F91 HydrophobicContact CD1-CD2 3.85Å; Y83-F91 HydrophobicContact CD1-CE2 4.5Å; Y83-F91 HydrophobicContact CD2-CB 3.77Å; Y83-F91 AromaticContact CD2-CD2 3.72Å; Y83-F91 HydrophobicContact CD2-CD2 3.72Å; Y83-F91 HydrophobicContact CD2-CG 4.16Å; Y83-F91 AromaticContact CE1-CD2 3.76Å; Y83-F91 HydrophobicContact CE1-CD2 3.76Å; Y83-F91 HydrophobicContact CE1-CE2 4.03Å; Y83-F91 HydrophobicContact CE2-CB 4.25Å; Y83-F91 AromaticContact CE2-CD2 3.6Å; Y83-F91 HydrophobicContact CE2-CD2 3.6Å; Y83-F91 HydrophobicContact CE2-CE2 4.31Å; Y83-F91 HydrophobicContact CE2-CG 4.22Å; Y83-F91 HydrophobicContact CG-CB 4.17Å; Y83-F91 AromaticContact CG-CD2 3.84Å; Y83-F91 HydrophobicContact CG-CD2 3.84Å; Y83-F91 AromaticContact CZ-CD2 3.63Å; Y83-F91 AromaticContact CZ-CE2 3.93Å; Y83-L114 HydrophobicContact CD1-CD1 3.88Å; Y83-L114 HydrophobicContact CD1-CG 4.44Å; Y83-L114 HydrophobicContact CE1-CD1 3.97Å; Y83-L114 HydrophobicContact CE1-CD2 4.38Å; Y83-L114 HydrophobicContact CE1-CG 4.04Å; Y83-V115 WeakPolarHBondContact CD1-O 3.4Å; Y83-V115 WeakPolarHBondContact CE1-O 3.43Å; Y83-V115 PolarHBondContact N-O 3.41Å; Y83-N117 PolarHBondContact O-N 2.96Å; Y83-V127 HydrophobicContact CD2-CG2 4.28Å; Y83-V127 HydrophobicContact CE2-CB 3.88Å; Y83-V127 HydrophobicContact CE2-CG1 3.67Å; Y83-V127 HydrophobicContact CE2-CG2 4Å; Y83-F143 HydrophobicContact CE1-CE2 4.14Å; Y83-F143 WeakPolarHBondContact OH-CE2 3.48Å |
| 84 | S | 98.4 | Very high | 97.1 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.014 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 128.4 | 176.9 | 170.5 | 0 | 0 | 0 | 0 | 109.4 | V86 N87 S90 | S84-V86 PolarHBondContact O-N 3.05Å; S84-V86 VanDerWaalsContact O-N 3.16Å; S84-V86 VanDerWaalsContact OG-CG2 3.26Å; S84-V86 WeakPolarHBondContact OG-CG2 3.41Å; S84-N87 PolarHBondContact O-N 3.34Å; S84-S90 PolarHBondContact N-OG 3.35Å; S84-S90 PolarHBondContact O-OG 3.16Å |
| 85 | L | 98.8 | Very high | 97.2 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -24 | 177.9 | -68.2 | 173 | 0 | 0 | 0 | 112.8 | Y83 N117 V119 E126 V127 E145 | Y83-L85 HydrophobicContact CE2-CD2 3.75Å; L85-N117 WeakPolarHBondContact CG-O 3.35Å; L85-N117 PolarHBondContact N-O 3.34Å; L85-V119 HydrophobicContact CD1-CB 3.76Å; L85-V119 HydrophobicContact CD1-CG2 4.11Å; L85-E126 PolarHBondContact O-N 2.84Å; L85-V127 PolarHBondContact O-N 3.32Å; L85-E145 HydrophobicContact CD1-CB 4.39Å; L85-E145 HydrophobicContact CD1-CG 4.16Å; L85-E145 HydrophobicContact CD2-CG 4.45Å |
| 86 | V | 98.5 | Very high | 97.2 | Very high | 23 Ų | 23 | 32.5 Ų | 32.5 | 14% | 0.139 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 22.3 | 177.9 | -52.1 | 0 | 0 | 0 | 0 | 113.2 | S84 K118 L121 E124 | S84-V86 PolarHBondContact O-N 3.05Å; S84-V86 VanDerWaalsContact O-N 3.16Å; S84-V86 VanDerWaalsContact OG-CG2 3.26Å; S84-V86 WeakPolarHBondContact OG-CG2 3.41Å; V86-K118 HydrophobicContact CG2-CD 4.05Å; V86-L121 HydrophobicContact CG1-CB 3.57Å; V86-L121 HydrophobicContact CG1-CD1 4.19Å; V86-L121 HydrophobicContact CG2-CD1 4.08Å; V86-E124 WeakPolarHBondContact CA-O 2.83Å; V86-E124 HydrophobicContact CB-CB 4.12Å; V86-E124 WeakPolarHBondContact CB-O 3.13Å; V86-E124 HydrophobicContact CG1-CB 3.66Å; V86-E124 WeakPolarHBondContact CG1-O 3.49Å |
| 87 | N | 98.1 | Very high | 97.1 | Very high | 64 Ų | 64 | 34 Ų | 34 | 34% | 0.342 | 17% | 0.17 | S | C | . | . | trans | -151.9 | 97.5 | 176.9 | -178.3 | -30.1 | 0 | 0 | 0 | 110.5 | S84 Q89 S90 E126 | S84-N87 PolarHBondContact O-N 3.34Å; N87-Q89 VanDerWaalsContact C-N 3.26Å; N87-Q89 PolarHBondContact O-N 3.44Å; N87-Q89 WeakPolarHBondContact OD1-CB 3.48Å; N87-Q89 PolarHBondContact OD1-N 3.02Å; N87-S90 PolarHBondContact O-N 3.29Å; N87-S90 VanDerWaalsContact O-N 3.15Å; N87-S90 PolarHBondContact O-OG 3.22Å; N87-S90 PolarHBondContact OD1-N 3.3Å; N87-E126 WeakPolarHBondContact CA-OE2 3.38Å | ||
| 88 | Q | 98.1 | Very high | 97 | Very high | 52 Ų | 52 | 33.3 Ų | 33.3 | 24% | 0.243 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.1 | -36.6 | -179.9 | -171.3 | 66.8 | 22.5 | 0 | 0 | 112.6 | S90 F91 Q92 E126 | Q88-S90 VanDerWaalsContact C-N 3.3Å; Q88-S90 PolarHBondContact O-N 3.08Å; Q88-F91 WeakPolarHBondContact O-CB 3.26Å; Q88-F91 PolarHBondContact O-N 3.46Å; Q88-F91 VanDerWaalsContact O-N 3.15Å; Q88-Q92 PolarHBondContact O-N 3.45Å; Q88-Q92 VanDerWaalsContact O-N 3.15Å; Q88-E126 HydrophobicContact CB-CB 4.3Å; Q88-E126 WeakPolarHBondContact CB-OE2 3.4Å; Q88-E126 PolarHBondContact N-OE2 3.49Å; Q88-E126 PolarHBondContact OE1-O 3.05Å |
| 89 | Q | 97.4 | Very high | 96.8 | Very high | 101 Ų | 101 | 36.6 Ų | 36.6 | 47% | 0.472 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.9 | -41.2 | 179.5 | -173.3 | 60.7 | 57.5 | 0 | 0 | 110.9 | N87 F91 Q92 D93 | N87-Q89 VanDerWaalsContact C-N 3.26Å; N87-Q89 PolarHBondContact O-N 3.44Å; N87-Q89 WeakPolarHBondContact OD1-CB 3.48Å; N87-Q89 PolarHBondContact OD1-N 3.02Å; Q89-F91 PolarHBondContact O-N 3.41Å; Q89-Q92 WeakPolarHBondContact O-CB 3.46Å; Q89-Q92 PolarHBondContact O-N 2.96Å; Q89-Q92 VanDerWaalsContact O-N 3.1Å; Q89-D93 PolarHBondContact NE2-OD1 2.89Å; Q89-D93 PolarHBondContact O-N 3.16Å |
| 90 | S | 97.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.007 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.6 | -28.5 | 177.9 | 75.8 | 0 | 0 | 0 | 0 | 113.6 | Y83 S84 N87 Q88 | Y83-S90 WeakPolarHBondContact CB-O 3.45Å; S84-S90 PolarHBondContact N-OG 3.35Å; S84-S90 PolarHBondContact O-OG 3.16Å; N87-S90 PolarHBondContact O-N 3.29Å; N87-S90 VanDerWaalsContact O-N 3.15Å; N87-S90 PolarHBondContact O-OG 3.22Å; N87-S90 PolarHBondContact OD1-N 3.3Å; Q88-S90 VanDerWaalsContact C-N 3.3Å; Q88-S90 PolarHBondContact O-N 3.08Å |
| 91 | F | 98.4 | Very high | 96.3 | Very high | 24 Ų | 24 | 38.4 Ų | 38.4 | 11% | 0.105 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -73.1 | -41.5 | 173.6 | -178.9 | -115.5 | 0 | 0 | 0 | 111.6 | Y83 Q88 Q89 D93 I94 V127 E131 L135 | Y83-F91 AromaticContact CD1-CD2 3.85Å; Y83-F91 HydrophobicContact CD1-CD2 3.85Å; Y83-F91 HydrophobicContact CD1-CE2 4.5Å; Y83-F91 HydrophobicContact CD2-CB 3.77Å; Y83-F91 AromaticContact CD2-CD2 3.72Å; Y83-F91 HydrophobicContact CD2-CD2 3.72Å; Y83-F91 HydrophobicContact CD2-CG 4.16Å; Y83-F91 AromaticContact CE1-CD2 3.76Å; Y83-F91 HydrophobicContact CE1-CD2 3.76Å; Y83-F91 HydrophobicContact CE1-CE2 4.03Å; Y83-F91 HydrophobicContact CE2-CB 4.25Å; Y83-F91 AromaticContact CE2-CD2 3.6Å; Y83-F91 HydrophobicContact CE2-CD2 3.6Å; Y83-F91 HydrophobicContact CE2-CE2 4.31Å; Y83-F91 HydrophobicContact CE2-CG 4.22Å; Y83-F91 HydrophobicContact CG-CB 4.17Å; Y83-F91 AromaticContact CG-CD2 3.84Å; Y83-F91 HydrophobicContact CG-CD2 3.84Å; Y83-F91 AromaticContact CZ-CD2 3.63Å; Y83-F91 AromaticContact CZ-CE2 3.93Å; Q88-F91 WeakPolarHBondContact O-CB 3.26Å; Q88-F91 PolarHBondContact O-N 3.46Å; Q88-F91 VanDerWaalsContact O-N 3.15Å; Q89-F91 PolarHBondContact O-N 3.41Å; F91-D93 VanDerWaalsContact C-N 3.33Å; F91-D93 PolarHBondContact O-N 3.06Å; F91-I94 VanDerWaalsContact O-CG2 3.22Å; F91-I94 WeakPolarHBondContact O-CG2 3.34Å; F91-I94 PolarHBondContact O-N 2.8Å; F91-V127 HydrophobicContact CB-CG2 3.74Å; F91-V127 HydrophobicContact CD1-CG1 4.09Å; F91-V127 HydrophobicContact CD1-CG2 4.39Å; F91-V127 HydrophobicContact CD2-CG1 4.1Å; F91-V127 HydrophobicContact CE1-CG1 4.27Å; F91-V127 HydrophobicContact CE2-CG1 4.28Å; F91-V127 HydrophobicContact CG-CG1 4Å; F91-V127 HydrophobicContact CG-CG2 4.08Å; F91-V127 HydrophobicContact CZ-CG1 4.36Å; F91-E131 HydrophobicContact CE1-CB 4.23Å; F91-E131 HydrophobicContact CZ-CB 4.17Å; F91-L135 HydrophobicContact CD2-CD2 4.34Å; F91-L135 HydrophobicContact CE2-CB 4.36Å; F91-L135 HydrophobicContact CE2-CD2 3.5Å; F91-L135 HydrophobicContact CZ-CB 4.04Å; F91-L135 HydrophobicContact CZ-CD2 3.61Å; F91-L135 HydrophobicContact CZ-CG 4.45Å |
| 92 | Q | 96.9 | Very high | 96.2 | Very high | 109 Ų | 109 | 41.1 Ų | 41.1 | 51% | 0.509 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64 | -38.5 | 175.6 | -64.4 | 178.2 | 10.6 | 0 | 0 | 112.2 | Q88 Q89 I94 P96 | Q88-Q92 PolarHBondContact O-N 3.45Å; Q88-Q92 VanDerWaalsContact O-N 3.15Å; Q89-Q92 WeakPolarHBondContact O-CB 3.46Å; Q89-Q92 PolarHBondContact O-N 2.96Å; Q89-Q92 VanDerWaalsContact O-N 3.1Å; Q92-I94 PolarHBondContact O-N 3.47Å; Q92-P96 WeakPolarHBondContact O-CD 3.33Å |
| 93 | D | 94.8 | Very high | 95.9 | Very high | 52 Ų | 52 | 50.9 Ų | 50.9 | 28% | 0.278 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -17.7 | -179.5 | -64.8 | -16.2 | 0 | 0 | 0 | 113.3 | S12 Q89 F91 P96 M97 | S12-D93 VanDerWaalsContact OG-CB 3.24Å; S12-D93 WeakPolarHBondContact OG-CB 3.26Å; S12-D93 PolarHBondContact OG-OD2 2.7Å; Q89-D93 PolarHBondContact NE2-OD1 2.89Å; Q89-D93 PolarHBondContact O-N 3.16Å; F91-D93 VanDerWaalsContact C-N 3.33Å; F91-D93 PolarHBondContact O-N 3.06Å; D93-P96 WeakPolarHBondContact O-CD 3.44Å; D93-M97 HydrophobicContact CB-CE 4.1Å |
| 94 | I | 94.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -75.4 | -28.4 | -171.9 | -137.6 | 66.3 | 0 | 0 | 0 | 112.6 | L81 V82 F91 Q92 M97 R98 L114 L135 W139 | L81-I94 HydrophobicContact CB-CD1 4.22Å; L81-I94 HydrophobicContact CB-CG1 3.84Å; L81-I94 HydrophobicContact CD2-CG1 4.06Å; V82-I94 VanDerWaalsContact O-CD1 3.3Å; V82-I94 WeakPolarHBondContact O-CD1 3.41Å; F91-I94 VanDerWaalsContact O-CG2 3.22Å; F91-I94 WeakPolarHBondContact O-CG2 3.34Å; F91-I94 PolarHBondContact O-N 2.8Å; Q92-I94 PolarHBondContact O-N 3.47Å; I94-M97 HydrophobicContact CD1-SD 4Å; I94-M97 PolarHBondContact O-N 3.22Å; I94-R98 PolarHBondContact O-N 3.1Å; I94-L114 HydrophobicContact CG1-CD1 4.32Å; I94-L114 HydrophobicContact CG2-CD1 4.05Å; I94-L135 HydrophobicContact CG2-CD2 4.03Å; I94-W139 HydrophobicContact CG2-CH2 3.62Å; I94-W139 HydrophobicContact CG2-CZ3 4.3Å |
| 95 | K | 95.1 | Very high | 95.4 | Very high | 87 Ų | 87 | 53.6 Ų | 53.6 | 38% | 0.378 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.9 | -48.8 | 178.9 | -178.3 | 167.2 | -172.8 | 153.3 | 0 | 112.8 | M97 R98 D99 E138 W139 | K95-M97 VanDerWaalsContact C-N 3.25Å; K95-M97 PolarHBondContact O-N 3.2Å; K95-R98 WeakPolarHBondContact O-CB 3.36Å; K95-R98 PolarHBondContact O-N 2.7Å; K95-R98 VanDerWaalsContact O-N 3.16Å; K95-D99 PolarHBondContact O-N 3.06Å; K95-E138 IonicContact NZ-OE1 3.65Å; K95-E138 PolarHBondContact NZ-OE1 3.45Å; K95-E138 VanDerWaalsContact NZ-OE1 3.13Å; K95-W139 HydrophobicContact CB-CZ2 4.07Å; K95-W139 HydrophobicContact CG-CZ2 4.28Å |
| 96 | P | 93.6 | Very high | 94.7 | Very high | 81 Ų | 81 | 64.1 Ų | 64.1 | 53% | 0.526 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -54.2 | -38.5 | 171 | -28 | 33.4 | 0 | 0 | 0 | 114.2 | Q92 D93 D99 Q100 | Q92-P96 WeakPolarHBondContact O-CD 3.33Å; D93-P96 WeakPolarHBondContact O-CD 3.44Å; P96-D99 PolarHBondContact O-N 3.46Å; P96-Q100 PolarHBondContact O-N 3.47Å; P96-Q100 VanDerWaalsContact O-N 3.08Å |
| 97 | M | 92.3 | Very high | 93.6 | Very high | 33 Ų | 33 | 70.1 Ų | 70.1 | 16% | 0.163 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.5 | -45 | 177.5 | -62.4 | -179.7 | -155.3 | 0 | 0 | 111.3 | L81 D93 I94 K95 D99 Q100 I101 | L81-M97 HydrophobicContact CD2-CB 4.35Å; D93-M97 HydrophobicContact CB-CE 4.1Å; I94-M97 HydrophobicContact CD1-SD 4Å; I94-M97 PolarHBondContact O-N 3.22Å; K95-M97 VanDerWaalsContact C-N 3.25Å; K95-M97 PolarHBondContact O-N 3.2Å; M97-D99 VanDerWaalsContact C-N 3.34Å; M97-D99 PolarHBondContact O-N 2.92Å; M97-Q100 PolarHBondContact O-N 3.25Å; M97-I101 WeakPolarHBondContact O-CG1 3.47Å; M97-I101 PolarHBondContact O-N 3.46Å |
| 98 | R | 95.1 | Very high | 92.3 | Very high | 67 Ų | 67 | 77.1 Ų | 77.1 | 25% | 0.253 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -57.3 | -47.2 | 174 | 177.4 | -91.1 | 179.4 | -168 | 2 | 111.4 | L81 I94 K95 Q100 I101 I102 M112 W139 | L81-R98 HydrophobicContact CD2-CB 3.85Å; I94-R98 PolarHBondContact O-N 3.1Å; K95-R98 WeakPolarHBondContact O-CB 3.36Å; K95-R98 PolarHBondContact O-N 2.7Å; K95-R98 VanDerWaalsContact O-N 3.16Å; R98-Q100 VanDerWaalsContact C-N 3.27Å; R98-Q100 PolarHBondContact O-N 3.17Å; R98-I101 WeakPolarHBondContact O-CB 3.32Å; R98-I101 PolarHBondContact O-N 3.25Å; R98-I101 VanDerWaalsContact O-N 3.09Å; R98-I102 WeakPolarHBondContact O-CG1 3.37Å; R98-I102 PolarHBondContact O-N 3.33Å; R98-M112 HydrophobicContact CG-CE 4.01Å; R98-M112 HydrophobicContact CG-SD 3.92Å; R98-W139 HydrophobicContact CB-CH2 3.69Å; R98-W139 HydrophobicContact CB-CZ2 3.98Å; R98-W139 HydrophobicContact CB-CZ3 4.02Å; R98-W139 HydrophobicContact CG-CD2 4.05Å; R98-W139 HydrophobicContact CG-CE3 4.08Å; R98-W139 HydrophobicContact CG-CH2 4.05Å; R98-W139 HydrophobicContact CG-CZ2 4.09Å; R98-W139 HydrophobicContact CG-CZ3 4.07Å |
| 99 | D | 93.9 | Very high | 91.7 | Very high | 69 Ų | 69 | 80.7 Ų | 80.7 | 37% | 0.369 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.9 | -35.4 | -177.8 | -69.5 | -21.1 | 0 | 0 | 0 | 111.9 | K95 P96 M97 I102 R103 | K95-D99 PolarHBondContact O-N 3.06Å; P96-D99 PolarHBondContact O-N 3.46Å; M97-D99 VanDerWaalsContact C-N 3.34Å; M97-D99 PolarHBondContact O-N 2.92Å; D99-I102 PolarHBondContact O-N 3.04Å; D99-R103 WeakPolarHBondContact O-CB 3.44Å; D99-R103 PolarHBondContact O-N 3.17Å |
| 100 | Q | 92.2 | Very high | 91.6 | Very high | 40 Ų | 40 | 76.7 Ų | 76.7 | 19% | 0.187 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 172.1 | -172.5 | 169.8 | 1.3 | 0 | 0 | 112.3 | R69 D70 I73 P96 M97 R98 I102 R103 V104 | R69-Q100 VanDerWaalsContact CD-NE2 3.27Å; D70-Q100 PolarHBondContact OD1-NE2 3.2Å; I73-Q100 HydrophobicContact CD1-CG 3.9Å; P96-Q100 PolarHBondContact O-N 3.47Å; P96-Q100 VanDerWaalsContact O-N 3.08Å; M97-Q100 PolarHBondContact O-N 3.25Å; R98-Q100 VanDerWaalsContact C-N 3.27Å; R98-Q100 PolarHBondContact O-N 3.17Å; Q100-I102 PolarHBondContact O-N 3.07Å; Q100-R103 PolarHBondContact O-N 3.26Å; Q100-V104 HydrophobicContact CG-CG2 4.41Å; Q100-V104 WeakPolarHBondContact O-CG2 3.13Å; Q100-V104 PolarHBondContact O-N 3.33Å |
| 101 | I | 94.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57 | -50.6 | 175.9 | -66.4 | 162.9 | 0 | 0 | 0 | 110.6 | L10 I73 F79 L81 M97 R98 R103 V104 K105 V110 M112 | L10-I101 HydrophobicContact CD1-CD1 3.73Å; L10-I101 HydrophobicContact CD1-CG1 4.14Å; I73-I101 HydrophobicContact CD1-CG1 4.05Å; I73-I101 HydrophobicContact CG1-CG1 4.26Å; I73-I101 HydrophobicContact CG2-CB 4.38Å; I73-I101 HydrophobicContact CG2-CG1 4.33Å; I73-I101 HydrophobicContact CG2-CG2 4.38Å; F79-I101 HydrophobicContact CB-CD1 3.99Å; F79-I101 HydrophobicContact CD1-CD1 3.85Å; F79-I101 HydrophobicContact CD1-CG1 4.09Å; F79-I101 HydrophobicContact CD1-CG2 4.32Å; F79-I101 HydrophobicContact CD2-CG2 3.74Å; F79-I101 HydrophobicContact CE1-CG1 4.37Å; F79-I101 HydrophobicContact CE1-CG2 4.39Å; F79-I101 HydrophobicContact CE2-CG2 3.82Å; F79-I101 HydrophobicContact CG-CD1 3.89Å; F79-I101 HydrophobicContact CG-CG1 4.37Å; F79-I101 HydrophobicContact CG-CG2 4.02Å; F79-I101 HydrophobicContact CZ-CG2 4.16Å; L81-I101 HydrophobicContact CD1-CD1 3.99Å; L81-I101 HydrophobicContact CD2-CD1 4.2Å; L81-I101 HydrophobicContact CG-CD1 4.33Å; M97-I101 WeakPolarHBondContact O-CG1 3.47Å; M97-I101 PolarHBondContact O-N 3.46Å; R98-I101 WeakPolarHBondContact O-CB 3.32Å; R98-I101 PolarHBondContact O-N 3.25Å; R98-I101 VanDerWaalsContact O-N 3.09Å; I101-R103 VanDerWaalsContact C-N 3.32Å; I101-R103 PolarHBondContact O-N 3.45Å; I101-V104 PolarHBondContact O-N 3.41Å; I101-K105 HydrophobicContact CG2-CG 4.25Å; I101-K105 WeakPolarHBondContact O-CB 3.49Å; I101-K105 WeakPolarHBondContact O-CG 3.47Å; I101-K105 PolarHBondContact O-N 2.91Å; I101-V110 HydrophobicContact CG2-CG1 3.75Å; I101-M112 HydrophobicContact CB-CE 4.33Å; I101-M112 HydrophobicContact CD1-CE 3.92Å; I101-M112 HydrophobicContact CG2-CE 3.99Å |
| 102 | I | 94.4 | Very high | 91.5 | Very high | 57 Ų | 57 | 76.7 Ų | 76.7 | 29% | 0.292 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.1 | -44.5 | 180 | -60.9 | -52.1 | 0 | 0 | 0 | 110.9 | R98 D99 Q100 V104 K105 R106 V110 | R98-I102 WeakPolarHBondContact O-CG1 3.37Å; R98-I102 PolarHBondContact O-N 3.33Å; D99-I102 PolarHBondContact O-N 3.04Å; Q100-I102 PolarHBondContact O-N 3.07Å; I102-V104 PolarHBondContact O-N 3.1Å; I102-K105 PolarHBondContact O-N 3.45Å; I102-R106 PolarHBondContact O-N 3.4Å; I102-V110 HydrophobicContact CD1-CB 4.16Å; I102-V110 HydrophobicContact CD1-CG2 3.85Å |
| 103 | R | 92.9 | Very high | 91.6 | Very high | 205 Ų | 205 | 71.5 Ų | 71.5 | 77% | 0.774 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -60.1 | -43.4 | 179 | 179.9 | -178.1 | 172.9 | -169 | -2.8 | 112.8 | D99 Q100 I101 R106 | D99-R103 WeakPolarHBondContact O-CB 3.44Å; D99-R103 PolarHBondContact O-N 3.17Å; Q100-R103 PolarHBondContact O-N 3.26Å; I101-R103 VanDerWaalsContact C-N 3.32Å; I101-R103 PolarHBondContact O-N 3.45Å; R103-R106 WeakPolarHBondContact O-CG 3.34Å |
| 104 | V | 93.5 | Very high | 91.8 | Very high | 36 Ų | 36 | 69 Ų | 69 | 22% | 0.218 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -75.8 | -41.1 | -178.2 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | D70 I73 K74 Q100 I101 I102 | D70-V104 HydrophobicContact CB-CG2 4.33Å; D70-V104 WeakPolarHBondContact OD1-CG2 3.29Å; I73-V104 HydrophobicContact CB-CB 4.32Å; I73-V104 HydrophobicContact CB-CG1 4.05Å; I73-V104 HydrophobicContact CG2-CB 3.55Å; I73-V104 HydrophobicContact CG2-CG1 3.6Å; I73-V104 HydrophobicContact CG2-CG2 4.19Å; K74-V104 HydrophobicContact CB-CG1 4.14Å; Q100-V104 HydrophobicContact CG-CG2 4.41Å; Q100-V104 WeakPolarHBondContact O-CG2 3.13Å; Q100-V104 PolarHBondContact O-N 3.33Å; I101-V104 PolarHBondContact O-N 3.41Å; I102-V104 PolarHBondContact O-N 3.1Å |
| 105 | K | 92.4 | Very high | 92 | Very high | 22 Ų | 22 | 69 Ų | 69 | 10% | 0.096 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71.7 | -37.2 | -176.6 | -77.1 | -53.5 | -159.6 | -172.7 | 0 | 114.2 | I73 K74 G76 F79 I101 I102 Y107 V110 | I73-K105 HydrophobicContact CG2-CG 4.37Å; I73-K105 WeakPolarHBondContact O-CE 3.33Å; I73-K105 PolarHBondContact O-NZ 2.82Å; K74-K105 PolarHBondContact O-NZ 2.89Å; G76-K105 WeakPolarHBondContact O-CE 3.42Å; G76-K105 PolarHBondContact O-NZ 3.47Å; F79-K105 HydrophobicContact CE2-CG 4.26Å; I101-K105 HydrophobicContact CG2-CG 4.25Å; I101-K105 WeakPolarHBondContact O-CB 3.49Å; I101-K105 WeakPolarHBondContact O-CG 3.47Å; I101-K105 PolarHBondContact O-N 2.91Å; I102-K105 PolarHBondContact O-N 3.45Å; K105-Y107 HydrophobicContact CB-CD2 3.8Å; K105-Y107 HydrophobicContact CB-CE2 4.34Å; K105-Y107 HydrophobicContact CB-CG 4.43Å; K105-Y107 HydrophobicContact CD-CD2 4.01Å; K105-Y107 HydrophobicContact CD-CE2 3.8Å; K105-Y107 HydrophobicContact CG-CD2 4.27Å; K105-Y107 PolarHBondContact O-N 2.96Å; K105-Y107 VanDerWaalsContact O-N 3.09Å; K105-V110 HydrophobicContact CB-CG2 3.64Å; K105-V110 HydrophobicContact CG-CG1 4.15Å; K105-V110 HydrophobicContact CG-CG2 3.97Å |
| 106 | R | 83.9 | Confident | 92.2 | Very high | 223 Ų | 223 | 64.9 Ų | 64.9 | 84% | 0.842 | 29% | 0.287 | S | S | * | . | trans | 54.9 | 23.7 | -178.4 | -50.8 | -178.8 | 179.8 | -171.1 | -0.4 | 114 | I102 R103 | I102-R106 PolarHBondContact O-N 3.4Å; R103-R106 WeakPolarHBondContact O-CG 3.34Å | ||
| 107 | Y | 76.4 | Confident | 92.4 | Very high | 150 Ų | 150 | 61.1 Ų | 61.1 | 59% | 0.588 | 26% | 0.262 | S | S | * | . | trans | -97.1 | 151.5 | 177.7 | -62.1 | -46.5 | 0 | 0 | 0 | 111.1 | K105 R109 | K105-Y107 HydrophobicContact CB-CD2 3.8Å; K105-Y107 HydrophobicContact CB-CE2 4.34Å; K105-Y107 HydrophobicContact CB-CG 4.43Å; K105-Y107 HydrophobicContact CD-CD2 4.01Å; K105-Y107 HydrophobicContact CD-CE2 3.8Å; K105-Y107 HydrophobicContact CG-CD2 4.27Å; K105-Y107 PolarHBondContact O-N 2.96Å; K105-Y107 VanDerWaalsContact O-N 3.09Å; Y107-R109 VanDerWaalsContact C-N 3.29Å; Y107-R109 PolarHBondContact O-N 3.45Å | ||
| 108 | E | 71.3 | Confident | 92.7 | Very high | 211 Ų | 211 | 62.2 Ų | 62.2 | 99% | 0.986 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -63.9 | -34.8 | 173.7 | -68 | -173.9 | 170.2 | 0 | 0 | 112.1 | ||
| 109 | R | 85.3 | Confident | 92.9 | Very high | 127 Ų | 127 | 60.6 Ų | 60.6 | 48% | 0.479 | 26% | 0.264 | S | S | . | . | trans | -137 | 116.2 | 177.5 | -167 | 174.2 | -177.7 | -175.9 | -2.1 | 110.8 | Y107 | Y107-R109 VanDerWaalsContact C-N 3.29Å; Y107-R109 PolarHBondContact O-N 3.45Å | ||
| 110 | V | 94.5 | Very high | 93.1 | Very high | 17 Ų | 17 | 59.6 Ų | 59.6 | 10% | 0.103 | 26% | 0.258 | C | S | . | . | trans | -100.1 | 123.6 | 175.2 | -179.4 | 0 | 0 | 0 | 0 | 108.9 | F79 I101 I102 K105 M112 | F79-V110 HydrophobicContact CD2-CG1 3.5Å; F79-V110 HydrophobicContact CE2-CG1 3.63Å; I101-V110 HydrophobicContact CG2-CG1 3.75Å; I102-V110 HydrophobicContact CD1-CB 4.16Å; I102-V110 HydrophobicContact CD1-CG2 3.85Å; K105-V110 HydrophobicContact CB-CG2 3.64Å; K105-V110 HydrophobicContact CG-CG1 4.15Å; K105-V110 HydrophobicContact CG-CG2 3.97Å; V110-M112 PolarHBondContact O-N 3.05Å | ||
| 111 | P | 97.1 | Very high | 93.3 | Very high | 15 Ų | 15 | 60.1 Ų | 60.1 | 10% | 0.097 | 26% | 0.262 | C | S | . | . | trans | -58.9 | 119.8 | 175.4 | -24.9 | 35 | 0 | 0 | 0 | 111.2 | Q77 G78 F79 I161 Q164 M165 A168 | Q77-P111 WeakPolarHBondContact O-CD 3.3Å; Q77-P111 WeakPolarHBondContact O-CG 3.32Å; G78-P111 WeakPolarHBondContact CA-O 3.32Å; F79-P111 PolarHBondContact N-O 3.33Å; P111-I161 HydrophobicContact CB-CD1 4.45Å; P111-Q164 HydrophobicContact CB-CB 4.08Å; P111-M165 HydrophobicContact CB-CB 4.33Å; P111-M165 HydrophobicContact CB-CG 3.56Å; P111-M165 HydrophobicContact CG-CB 4.37Å; P111-M165 HydrophobicContact CG-CG 3.86Å; P111-A168 HydrophobicContact CG-CB 3.62Å | ||
| 112 | M | 97.6 | Very high | 93.4 | Very high | 9 Ų | 9 | 65.1 Ų | 65.1 | 4% | 0.044 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 148.8 | -170.2 | -176 | 175.5 | -65.2 | 0 | 0 | 110.5 | F79 L81 R98 I101 V110 W139 C141 P142 | F79-M112 CarbonylContact O-C 3.59Å; F79-M112 VanDerWaalsContact O-CA 3.26Å; F79-M112 WeakPolarHBondContact O-CA 3.05Å; L81-M112 HydrophobicContact CD1-CE 3.78Å; L81-M112 HydrophobicContact CD1-CG 3.34Å; L81-M112 HydrophobicContact CD1-SD 3.48Å; L81-M112 WeakPolarHBondContact CD1-SD 3.48Å; R98-M112 HydrophobicContact CG-CE 4.01Å; R98-M112 HydrophobicContact CG-SD 3.92Å; I101-M112 HydrophobicContact CB-CE 4.33Å; I101-M112 HydrophobicContact CD1-CE 3.92Å; I101-M112 HydrophobicContact CG2-CE 3.99Å; V110-M112 PolarHBondContact O-N 3.05Å; M112-W139 HydrophobicContact SD-CE3 4.25Å; M112-C141 HydrophobicContact CB-CB 4.41Å; M112-P142 VanDerWaalsContact O-CD 3.31Å; M112-P142 WeakPolarHBondContact O-CD 3.47Å |
| 113 | I | 98.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 136.4 | 167.9 | -179.1 | 159.6 | 0 | 0 | 0 | 109.7 | F79 I80 L81 V115 P142 M144 L157 E160 I161 | F79-I113 PolarHBondContact O-N 3.06Å; I80-I113 HydrophobicContact CB-CG2 4.21Å; I80-I113 HydrophobicContact CG1-CG2 3.76Å; I80-I113 HydrophobicContact CG2-CG2 4.27Å; L81-I113 PolarHBondContact N-O 2.91Å; I113-V115 HydrophobicContact CG1-CG2 4.23Å; I113-V115 HydrophobicContact CG2-CG2 4.4Å; I113-P142 HydrophobicContact CD1-CB 3.99Å; I113-P142 HydrophobicContact CG1-CB 4.06Å; I113-M144 HydrophobicContact CD1-CB 4.47Å; I113-M144 HydrophobicContact CD1-CE 4.24Å; I113-M144 HydrophobicContact CD1-CG 3.98Å; I113-M144 HydrophobicContact CD1-SD 3.81Å; I113-L157 HydrophobicContact CD1-CD1 3.78Å; I113-L157 HydrophobicContact CG1-CD1 4.18Å; I113-L157 HydrophobicContact CG2-CD1 3.67Å; I113-E160 HydrophobicContact CD1-CB 4.12Å; I113-E160 HydrophobicContact CD1-CG 3.8Å; I113-I161 HydrophobicContact CG2-CB 4.29Å; I113-I161 HydrophobicContact CG2-CD1 4.15Å |
| 114 | L | 98.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 133.7 | 172.8 | -179.5 | 64.7 | 0 | 0 | 0 | 109.9 | L81 Y83 I94 G132 L135 A136 W139 P142 F143 M144 | L81-L114 HydrophobicContact CB-CD1 4.36Å; Y83-L114 HydrophobicContact CD1-CD1 3.88Å; Y83-L114 HydrophobicContact CD1-CG 4.44Å; Y83-L114 HydrophobicContact CE1-CD1 3.97Å; Y83-L114 HydrophobicContact CE1-CD2 4.38Å; Y83-L114 HydrophobicContact CE1-CG 4.04Å; I94-L114 HydrophobicContact CG1-CD1 4.32Å; I94-L114 HydrophobicContact CG2-CD1 4.05Å; L114-G132 WeakPolarHBondContact CD2-O 3.44Å; L114-L135 HydrophobicContact CD2-CB 4.13Å; L114-L135 HydrophobicContact CD2-CD2 4.01Å; L114-L135 HydrophobicContact CD2-CG 4.17Å; L114-A136 HydrophobicContact CB-CB 4.32Å; L114-A136 HydrophobicContact CD2-CB 4.09Å; L114-W139 HydrophobicContact CD1-CZ3 3.99Å; L114-P142 PolarHBondContact N-O 2.96Å; L114-F143 HydrophobicContact CB-CD2 4.31Å; L114-F143 HydrophobicContact CD2-CD2 4.16Å; L114-F143 HydrophobicContact CG-CD2 4.07Å; L114-F143 WeakPolarHBondContact O-CA 3.43Å; L114-M144 PolarHBondContact O-N 3.13Å |
| 115 | V | 98.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 118.8 | -173.5 | -176.9 | 0 | 0 | 0 | 0 | 111.5 | L20 I80 L81 V82 Y83 I113 M144 T146 L157 | L20-V115 HydrophobicContact CD1-CG1 4.32Å; I80-V115 HydrophobicContact CG2-CG2 3.71Å; L81-V115 PolarHBondContact O-N 3.42Å; V82-V115 WeakPolarHBondContact CA-O 3.04Å; V82-V115 HydrophobicContact CG1-CG1 4.47Å; V82-V115 HydrophobicContact CG2-CB 4.35Å; Y83-V115 WeakPolarHBondContact CD1-O 3.4Å; Y83-V115 WeakPolarHBondContact CE1-O 3.43Å; Y83-V115 PolarHBondContact N-O 3.41Å; I113-V115 HydrophobicContact CG1-CG2 4.23Å; I113-V115 HydrophobicContact CG2-CG2 4.4Å; V115-M144 VanDerWaalsContact CA-O 3.3Å; V115-M144 WeakPolarHBondContact CA-O 3.44Å; V115-T146 HydrophobicContact CG1-CG2 3.68Å; V115-T146 VanDerWaalsContact CG1-OG1 3.31Å; V115-T146 WeakPolarHBondContact CG1-OG1 3.21Å; V115-L157 HydrophobicContact CG1-CD2 4.28Å; V115-L157 HydrophobicContact CG2-CD1 3.41Å; V115-L157 VanDerWaalsContact CG2-CD1 3.41Å; V115-L157 HydrophobicContact CG2-CD2 4.04Å; V115-L157 HydrophobicContact CG2-CG 4.37Å |
| 116 | G | 98.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 101.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | M144 E145 T146 | G116-M144 PolarHBondContact N-O 2.74Å; G116-E145 CarbonylContact O-C 3.55Å; G116-E145 WeakPolarHBondContact O-CA 3.24Å; G116-T146 PolarHBondContact O-N 2.94Å |
| 117 | N | 98.8 | Very high | 95.1 | Very high | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 163.3 | -177.4 | -168.6 | 36.4 | 0 | 0 | 0 | 112.4 | V15 L20 V82 Y83 L85 T146 A148 | V15-N117 PolarHBondContact O-ND2 2.58Å; L20-N117 HydrophobicContact CD1-CB 4.32Å; V82-N117 HydrophobicContact CG1-CB 3.77Å; Y83-N117 PolarHBondContact O-N 2.96Å; L85-N117 WeakPolarHBondContact CG-O 3.35Å; L85-N117 PolarHBondContact N-O 3.34Å; N117-T146 CarbonylContact C-O 3.55Å; N117-T146 WeakPolarHBondContact CA-O 3.32Å; N117-T146 PolarHBondContact OD1-O 3.24Å; N117-T146 VanDerWaalsContact OD1-O 3.14Å; N117-T146 PolarHBondContact OD1-OG1 3.33Å; N117-A148 PolarHBondContact OD1-N 2.8Å |
| 118 | K | 98.3 | Very high | 96.1 | Very high | 56 Ų | 56 | 52.6 Ų | 52.6 | 24% | 0.243 | 27% | 0.274 | C | S | . | . | trans | 71.9 | 38.3 | -178.3 | -44.3 | -174.8 | -168.9 | 173.5 | 0 | 113.7 | G14 V86 D120 L121 T146 | G14-K118 WeakPolarHBondContact O-CE 3.29Å; G14-K118 PolarHBondContact O-NZ 3.5Å; V86-K118 HydrophobicContact CG2-CD 4.05Å; K118-D120 WeakPolarHBondContact CA-OD1 3.45Å; K118-D120 PolarHBondContact O-N 3.06Å; K118-D120 VanDerWaalsContact O-N 3.13Å; K118-L121 HydrophobicContact CB-CD1 4.12Å; K118-L121 HydrophobicContact CB-CG 4.36Å; K118-L121 HydrophobicContact CD-CD1 4.12Å; K118-L121 PolarHBondContact O-N 3.01Å; K118-T146 PolarHBondContact N-O 3.12Å | ||
| 119 | V | 98.5 | Very high | 97.4 | Very high | 33 Ų | 33 | 45.3 Ų | 45.3 | 20% | 0.2 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -61.3 | -17.9 | 174.2 | 72.6 | 0 | 0 | 0 | 0 | 112.8 | L85 L121 E145 T146 T152 | L85-V119 HydrophobicContact CD1-CB 3.76Å; L85-V119 HydrophobicContact CD1-CG2 4.11Å; V119-L121 PolarHBondContact O-N 3.37Å; V119-E145 HydrophobicContact CB-CB 4.25Å; V119-E145 HydrophobicContact CG2-CB 4.18Å; V119-E145 VanDerWaalsContact CG2-OE2 3.3Å; V119-E145 WeakPolarHBondContact CG2-OE2 3.38Å; V119-T146 WeakPolarHBondContact CG1-O 3.23Å; V119-T146 PolarHBondContact N-O 3.39Å; V119-T146 VanDerWaalsContact N-O 3.08Å; V119-T152 HydrophobicContact CG1-CG2 4.33Å |
| 120 | D | 98.2 | Very high | 98 | Very high | 47 Ų | 47 | 41.6 Ų | 41.6 | 25% | 0.251 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -66.4 | -14.9 | 171.6 | 57.4 | -75.6 | 0 | 0 | 0 | 114.1 | K118 S147 K149 N150 | K118-D120 WeakPolarHBondContact CA-OD1 3.45Å; K118-D120 PolarHBondContact O-N 3.06Å; K118-D120 VanDerWaalsContact O-N 3.13Å; D120-S147 VanDerWaalsContact CG-OG 3.22Å; D120-S147 VanDerWaalsContact OD1-CB 3.25Å; D120-S147 WeakPolarHBondContact OD1-CB 3.15Å; D120-S147 PolarHBondContact OD1-OG 2.59Å; D120-K149 WeakPolarHBondContact OD2-CD 3.44Å; D120-N150 WeakPolarHBondContact CB-ND2 2.93Å |
| 121 | L | 97.5 | Very high | 98.2 | Very high | 52 Ų | 52 | 44.4 Ų | 44.4 | 27% | 0.272 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -101.9 | 44.5 | 178.7 | -57.4 | -179.3 | 0 | 0 | 0 | 112 | V86 K118 V119 G123 E124 R125 | V86-L121 HydrophobicContact CG1-CB 3.57Å; V86-L121 HydrophobicContact CG1-CD1 4.19Å; V86-L121 HydrophobicContact CG2-CD1 4.08Å; K118-L121 HydrophobicContact CB-CD1 4.12Å; K118-L121 HydrophobicContact CB-CG 4.36Å; K118-L121 HydrophobicContact CD-CD1 4.12Å; K118-L121 PolarHBondContact O-N 3.01Å; V119-L121 PolarHBondContact O-N 3.37Å; L121-G123 PolarHBondContact O-N 3.2Å; L121-G123 VanDerWaalsContact O-N 3.14Å; L121-E124 HydrophobicContact CB-CB 4.48Å; L121-E124 PolarHBondContact O-N 2.92Å; L121-R125 PolarHBondContact O-N 2.77Å |
| 122 | E | 96.5 | Very high | 98.3 | Very high | 105 Ų | 105 | 43.7 Ų | 43.7 | 49% | 0.491 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -55.7 | -33.6 | -175.1 | -168.5 | 60.8 | -148.8 | 0 | 0 | 113.5 | E124 R125 | E122-E124 PolarHBondContact O-N 2.89Å; E122-R125 VanDerWaalsContact CD-NE 3.25Å; E122-R125 WeakPolarHBondContact O-CB 3.48Å; E122-R125 PolarHBondContact O-N 2.83Å; E122-R125 WeakPolarHBondContact OE1-CD 3.32Å; E122-R125 IonicContact OE1-CZ 3.65Å; E122-R125 IonicContact OE1-NE 2.84Å; E122-R125 PolarHBondContact OE1-NE 2.97Å; E122-R125 IonicContact OE1-NH2 3.04Å; E122-R125 IonicContact OE2-CZ 3.92Å; E122-R125 VanDerWaalsContact OE2-CZ 3.32Å; E122-R125 IonicContact OE2-NE 3.59Å; E122-R125 PolarHBondContact OE2-NE 2.93Å; E122-R125 IonicContact OE2-NH2 3.64Å; E122-R125 PolarHBondContact OE2-NH2 3.38Å |
| 123 | G | 97.9 | Very high | 98.3 | Very high | 88 Ų | 88 | 47.9 Ų | 47.9 | 91% | 0.907 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -69.5 | -14.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L121 | L121-G123 PolarHBondContact O-N 3.2Å; L121-G123 VanDerWaalsContact O-N 3.14Å |
| 124 | E | 98.2 | Very high | 98.3 | Very high | 126 Ų | 126 | 50.7 Ų | 50.7 | 59% | 0.589 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -111 | 10.6 | 178.8 | -65.4 | 174.1 | -131.7 | 0 | 0 | 111.5 | V86 L121 E122 E126 | V86-E124 WeakPolarHBondContact CA-O 2.83Å; V86-E124 HydrophobicContact CB-CB 4.12Å; V86-E124 WeakPolarHBondContact CB-O 3.13Å; V86-E124 HydrophobicContact CG1-CB 3.66Å; V86-E124 WeakPolarHBondContact CG1-O 3.49Å; L121-E124 HydrophobicContact CB-CB 4.48Å; L121-E124 PolarHBondContact O-N 2.92Å; E122-E124 PolarHBondContact O-N 2.89Å; E124-E126 PolarHBondContact O-N 3.09Å |
| 125 | R | 98.6 | Very high | 98.3 | Very high | 57 Ų | 57 | 51.6 Ų | 51.6 | 22% | 0.215 | 30% | 0.301 | C | S | . | . | trans | -61.1 | 124.9 | -175.5 | -179.3 | -177.2 | -74.4 | -95.3 | 7 | 111.1 | L121 E122 V127 E145 | L121-R125 PolarHBondContact O-N 2.77Å; E122-R125 VanDerWaalsContact CD-NE 3.25Å; E122-R125 WeakPolarHBondContact O-CB 3.48Å; E122-R125 PolarHBondContact O-N 2.83Å; E122-R125 WeakPolarHBondContact OE1-CD 3.32Å; E122-R125 IonicContact OE1-CZ 3.65Å; E122-R125 IonicContact OE1-NE 2.84Å; E122-R125 PolarHBondContact OE1-NE 2.97Å; E122-R125 IonicContact OE1-NH2 3.04Å; E122-R125 IonicContact OE2-CZ 3.92Å; E122-R125 VanDerWaalsContact OE2-CZ 3.32Å; E122-R125 IonicContact OE2-NE 3.59Å; E122-R125 PolarHBondContact OE2-NE 2.93Å; E122-R125 IonicContact OE2-NH2 3.64Å; E122-R125 PolarHBondContact OE2-NH2 3.38Å; R125-V127 VanDerWaalsContact CD-O 3.3Å; R125-V127 WeakPolarHBondContact CD-O 3.38Å; R125-V127 WeakPolarHBondContact CG-O 3.25Å; R125-V127 PolarHBondContact NH1-O 3.41Å; R125-E145 IonicContact CZ-OE1 3.57Å; R125-E145 IonicContact CZ-OE2 2.96Å; R125-E145 IonicContact NH1-OE1 3.63Å; R125-E145 PolarHBondContact NH1-OE1 2.62Å; R125-E145 IonicContact NH1-OE2 3.16Å; R125-E145 IonicContact NH2-OE1 3.66Å; R125-E145 IonicContact NH2-OE2 3.45Å; R125-E145 PolarHBondContact NH2-OE2 2.91Å | ||
| 126 | E | 98.6 | Very high | 98.3 | Very high | 110 Ų | 110 | 51.6 Ų | 51.6 | 51% | 0.514 | 30% | 0.301 | S | S | . | . | trans | -103.8 | -32.3 | 172.6 | -62.5 | -174.3 | -177.9 | 0 | 0 | 111.7 | L85 N87 Q88 E124 | L85-E126 PolarHBondContact O-N 2.84Å; N87-E126 WeakPolarHBondContact CA-OE2 3.38Å; Q88-E126 HydrophobicContact CB-CB 4.3Å; Q88-E126 WeakPolarHBondContact CB-OE2 3.4Å; Q88-E126 PolarHBondContact N-OE2 3.49Å; Q88-E126 PolarHBondContact OE1-O 3.05Å; E124-E126 PolarHBondContact O-N 3.09Å | ||
| 127 | V | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -107.2 | 120.6 | -179.9 | -173.6 | 0 | 0 | 0 | 0 | 110.1 | Y83 L85 F91 R125 E131 | Y83-V127 HydrophobicContact CD2-CG2 4.28Å; Y83-V127 HydrophobicContact CE2-CB 3.88Å; Y83-V127 HydrophobicContact CE2-CG1 3.67Å; Y83-V127 HydrophobicContact CE2-CG2 4Å; L85-V127 PolarHBondContact O-N 3.32Å; F91-V127 HydrophobicContact CB-CG2 3.74Å; F91-V127 HydrophobicContact CD1-CG1 4.09Å; F91-V127 HydrophobicContact CD1-CG2 4.39Å; F91-V127 HydrophobicContact CD2-CG1 4.1Å; F91-V127 HydrophobicContact CE1-CG1 4.27Å; F91-V127 HydrophobicContact CE2-CG1 4.28Å; F91-V127 HydrophobicContact CG-CG1 4Å; F91-V127 HydrophobicContact CG-CG2 4.08Å; F91-V127 HydrophobicContact CZ-CG1 4.36Å; R125-V127 VanDerWaalsContact CD-O 3.3Å; R125-V127 WeakPolarHBondContact CD-O 3.38Å; R125-V127 WeakPolarHBondContact CG-O 3.25Å; R125-V127 PolarHBondContact NH1-O 3.41Å; V127-E131 HydrophobicContact CG1-CB 4.06Å |
| 128 | S | 98.5 | Very high | 98.2 | Very high | 48 Ų | 48 | 61.8 Ų | 61.8 | 34% | 0.336 | 35% | 0.351 | S | S | . | . | trans | -71.1 | 152.6 | 176.9 | 69.9 | 0 | 0 | 0 | 0 | 112.3 | G130 E131 G132 | S128-G130 PolarHBondContact O-N 3.19Å; S128-E131 WeakPolarHBondContact CB-OE2 3.19Å; S128-E131 PolarHBondContact N-OE2 2.92Å; S128-E131 PolarHBondContact O-N 3Å; S128-E131 VanDerWaalsContact O-N 3.17Å; S128-E131 VanDerWaalsContact OG-CG 3.3Å; S128-E131 WeakPolarHBondContact OG-CG 3.28Å; S128-E131 PolarHBondContact OG-N 3.27Å; S128-E131 PolarHBondContact OG-OE2 3.14Å; S128-G132 PolarHBondContact O-N 3.2Å | ||
| 129 | S | 97.8 | Very high | 98 | Very high | 59 Ų | 59 | 60.1 Ų | 60.1 | 41% | 0.413 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.4 | -32.2 | 173.6 | -157.6 | 0 | 0 | 0 | 0 | 112.2 | G132 K133 E145 | S129-G132 PolarHBondContact O-N 2.8Å; S129-K133 VanDerWaalsContact O-CB 3.29Å; S129-K133 WeakPolarHBondContact O-CB 3.28Å; S129-K133 PolarHBondContact O-N 3.16Å; S129-E145 VanDerWaalsContact CA-OE1 3.25Å; S129-E145 WeakPolarHBondContact CA-OE1 3.4Å; S129-E145 WeakPolarHBondContact CB-OE1 3.23Å; S129-E145 PolarHBondContact OG-OE1 2.88Å |
| 130 | G | 98.6 | Very high | 97.8 | Very high | 49 Ų | 49 | 64.3 Ų | 64.3 | 51% | 0.505 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | S128 K133 A134 | S128-G130 PolarHBondContact O-N 3.19Å; G130-K133 PolarHBondContact O-N 3.38Å; G130-A134 VanDerWaalsContact O-CB 3.25Å; G130-A134 WeakPolarHBondContact O-CB 3.18Å; G130-A134 PolarHBondContact O-N 3.5Å |
| 131 | E | 98.4 | Very high | 97.8 | Very high | 75 Ų | 75 | 62.8 Ų | 62.8 | 35% | 0.35 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.8 | -46.4 | 175.6 | -74.8 | 164.7 | 102.2 | 0 | 0 | 111.8 | F91 V127 S128 K133 A134 L135 | F91-E131 HydrophobicContact CE1-CB 4.23Å; F91-E131 HydrophobicContact CZ-CB 4.17Å; V127-E131 HydrophobicContact CG1-CB 4.06Å; S128-E131 WeakPolarHBondContact CB-OE2 3.19Å; S128-E131 PolarHBondContact N-OE2 2.92Å; S128-E131 PolarHBondContact O-N 3Å; S128-E131 VanDerWaalsContact O-N 3.17Å; S128-E131 VanDerWaalsContact OG-CG 3.3Å; S128-E131 WeakPolarHBondContact OG-CG 3.28Å; S128-E131 PolarHBondContact OG-N 3.27Å; S128-E131 PolarHBondContact OG-OE2 3.14Å; E131-K133 PolarHBondContact O-N 3.07Å; E131-A134 PolarHBondContact O-N 2.92Å; E131-L135 PolarHBondContact O-N 3.07Å |
| 132 | G | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | L114 S128 S129 L135 A136 | L114-G132 WeakPolarHBondContact CD2-O 3.44Å; S128-G132 PolarHBondContact O-N 3.2Å; S129-G132 PolarHBondContact O-N 2.8Å; G132-L135 PolarHBondContact O-N 3.25Å; G132-A136 PolarHBondContact O-N 3.21Å |
| 133 | K | 98.6 | Very high | 97.9 | Very high | 97 Ų | 97 | 58.3 Ų | 58.3 | 42% | 0.422 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.6 | -46 | 177.7 | -178.2 | 54 | 178.4 | 153.7 | 0 | 112.3 | S129 G130 E131 L135 A136 D137 F143 | S129-K133 VanDerWaalsContact O-CB 3.29Å; S129-K133 WeakPolarHBondContact O-CB 3.28Å; S129-K133 PolarHBondContact O-N 3.16Å; G130-K133 PolarHBondContact O-N 3.38Å; E131-K133 PolarHBondContact O-N 3.07Å; K133-L135 VanDerWaalsContact C-N 3.32Å; K133-L135 PolarHBondContact O-N 2.74Å; K133-A136 PolarHBondContact O-N 2.82Å; K133-D137 WeakPolarHBondContact CE-OD1 3.07Å; K133-D137 WeakPolarHBondContact CE-OD2 3.29Å; K133-D137 IonicContact NZ-OD1 2.68Å; K133-D137 PolarHBondContact NZ-OD1 2.76Å; K133-D137 IonicContact NZ-OD2 3.71Å; K133-D137 VanDerWaalsContact O-CG 3.27Å; K133-D137 PolarHBondContact O-N 3.12Å; K133-F143 HydrophobicContact CB-CD1 4.06Å; K133-F143 HydrophobicContact CB-CE1 4.43Å; K133-F143 HydrophobicContact CD-CB 4.47Å; K133-F143 HydrophobicContact CD-CD1 4.45Å |
| 134 | A | 98.7 | Very high | 98 | Very high | 59 Ų | 59 | 55.7 Ų | 55.7 | 49% | 0.488 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.7 | -40.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G130 E131 D137 E138 | G130-A134 VanDerWaalsContact O-CB 3.25Å; G130-A134 WeakPolarHBondContact O-CB 3.18Å; G130-A134 PolarHBondContact O-N 3.5Å; E131-A134 PolarHBondContact O-N 2.92Å; A134-D137 PolarHBondContact O-N 3.49Å; A134-E138 PolarHBondContact O-N 2.96Å |
| 135 | L | 98.3 | Very high | 98 | Very high | 19 Ų | 19 | 51.3 Ų | 51.3 | 10% | 0.099 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.9 | -41.1 | 177.1 | -175 | 63.8 | 0 | 0 | 0 | 112.2 | F91 I94 L114 E131 G132 K133 D137 E138 W139 | F91-L135 HydrophobicContact CD2-CD2 4.34Å; F91-L135 HydrophobicContact CE2-CB 4.36Å; F91-L135 HydrophobicContact CE2-CD2 3.5Å; F91-L135 HydrophobicContact CZ-CB 4.04Å; F91-L135 HydrophobicContact CZ-CD2 3.61Å; F91-L135 HydrophobicContact CZ-CG 4.45Å; I94-L135 HydrophobicContact CG2-CD2 4.03Å; L114-L135 HydrophobicContact CD2-CB 4.13Å; L114-L135 HydrophobicContact CD2-CD2 4.01Å; L114-L135 HydrophobicContact CD2-CG 4.17Å; E131-L135 PolarHBondContact O-N 3.07Å; G132-L135 PolarHBondContact O-N 3.25Å; K133-L135 VanDerWaalsContact C-N 3.32Å; K133-L135 PolarHBondContact O-N 2.74Å; L135-D137 VanDerWaalsContact C-N 3.33Å; L135-D137 PolarHBondContact O-N 2.86Å; L135-E138 WeakPolarHBondContact O-CB 3.39Å; L135-E138 PolarHBondContact O-N 3.32Å; L135-W139 HydrophobicContact CD1-CD2 4.43Å; L135-W139 HydrophobicContact CD1-CZ2 3.71Å; L135-W139 HydrophobicContact CD2-CH2 3.93Å; L135-W139 HydrophobicContact CD2-CZ2 3.82Å; L135-W139 HydrophobicContact CD2-CZ3 4.46Å; L135-W139 HydrophobicContact CG-CD2 4.23Å; L135-W139 HydrophobicContact CG-CH2 4.24Å; L135-W139 HydrophobicContact CG-CZ2 3.8Å; L135-W139 PolarHBondContact O-N 3.34Å; L135-W139 VanDerWaalsContact O-N 3.09Å |
| 136 | A | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.2 | -36 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L114 G132 K133 W139 N140 C141 F143 | L114-A136 HydrophobicContact CB-CB 4.32Å; L114-A136 HydrophobicContact CD2-CB 4.09Å; G132-A136 PolarHBondContact O-N 3.21Å; K133-A136 PolarHBondContact O-N 2.82Å; A136-W139 CarbonylContact O-C 3.46Å; A136-W139 PolarHBondContact O-N 3.22Å; A136-W139 VanDerWaalsContact O-N 3.16Å; A136-N140 PolarHBondContact O-N 3.45Å; A136-C141 PolarHBondContact O-N 2.91Å; A136-F143 HydrophobicContact CB-CB 3.58Å; A136-F143 HydrophobicContact CB-CG 4.42Å |
| 137 | D | 97.9 | Very high | 98 | Very high | 94 Ų | 94 | 43.4 Ų | 43.4 | 50% | 0.503 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.9 | -40 | 173.9 | -69.3 | -19.9 | 0 | 0 | 0 | 111.3 | K133 A134 L135 W139 N140 | K133-D137 WeakPolarHBondContact CE-OD1 3.07Å; K133-D137 WeakPolarHBondContact CE-OD2 3.29Å; K133-D137 IonicContact NZ-OD1 2.68Å; K133-D137 PolarHBondContact NZ-OD1 2.76Å; K133-D137 IonicContact NZ-OD2 3.71Å; K133-D137 VanDerWaalsContact O-CG 3.27Å; K133-D137 PolarHBondContact O-N 3.12Å; A134-D137 PolarHBondContact O-N 3.49Å; L135-D137 VanDerWaalsContact C-N 3.33Å; L135-D137 PolarHBondContact O-N 2.86Å; D137-W139 PolarHBondContact O-N 2.79Å; D137-N140 PolarHBondContact O-N 3.42Å |
| 138 | E | 97.1 | Very high | 98 | Very high | 123 Ų | 123 | 43.5 Ų | 43.5 | 58% | 0.575 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -56.9 | -37.5 | 170.2 | -177.4 | -171 | 149.9 | 0 | 0 | 111.3 | K95 A134 L135 | K95-E138 IonicContact NZ-OE1 3.65Å; K95-E138 PolarHBondContact NZ-OE1 3.45Å; K95-E138 VanDerWaalsContact NZ-OE1 3.13Å; A134-E138 PolarHBondContact O-N 2.96Å; L135-E138 WeakPolarHBondContact O-CB 3.39Å; L135-E138 PolarHBondContact O-N 3.32Å |
| 139 | W | 95.4 | Very high | 97.9 | Very high | 22 Ų | 22 | 46.1 Ų | 46.1 | 8% | 0.083 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -88 | -6.2 | -178.2 | -64.1 | -3.2 | 0 | 0 | 0 | 114.2 | L81 I94 K95 R98 M112 L114 L135 A136 D137 C141 | L81-W139 HydrophobicContact CD2-CZ3 4.28Å; I94-W139 HydrophobicContact CG2-CH2 3.62Å; I94-W139 HydrophobicContact CG2-CZ3 4.3Å; K95-W139 HydrophobicContact CB-CZ2 4.07Å; K95-W139 HydrophobicContact CG-CZ2 4.28Å; R98-W139 HydrophobicContact CB-CH2 3.69Å; R98-W139 HydrophobicContact CB-CZ2 3.98Å; R98-W139 HydrophobicContact CB-CZ3 4.02Å; R98-W139 HydrophobicContact CG-CD2 4.05Å; R98-W139 HydrophobicContact CG-CE3 4.08Å; R98-W139 HydrophobicContact CG-CH2 4.05Å; R98-W139 HydrophobicContact CG-CZ2 4.09Å; R98-W139 HydrophobicContact CG-CZ3 4.07Å; M112-W139 HydrophobicContact SD-CE3 4.25Å; L114-W139 HydrophobicContact CD1-CZ3 3.99Å; L135-W139 HydrophobicContact CD1-CD2 4.43Å; L135-W139 HydrophobicContact CD1-CZ2 3.71Å; L135-W139 HydrophobicContact CD2-CH2 3.93Å; L135-W139 HydrophobicContact CD2-CZ2 3.82Å; L135-W139 HydrophobicContact CD2-CZ3 4.46Å; L135-W139 HydrophobicContact CG-CD2 4.23Å; L135-W139 HydrophobicContact CG-CH2 4.24Å; L135-W139 HydrophobicContact CG-CZ2 3.8Å; L135-W139 PolarHBondContact O-N 3.34Å; L135-W139 VanDerWaalsContact O-N 3.09Å; A136-W139 CarbonylContact O-C 3.46Å; A136-W139 PolarHBondContact O-N 3.22Å; A136-W139 VanDerWaalsContact O-N 3.16Å; D137-W139 PolarHBondContact O-N 2.79Å; W139-C141 PolarHBondContact O-N 3.19Å |
| 140 | N | 94.8 | Very high | 97.8 | Very high | 120 Ų | 120 | 48.1 Ų | 48.1 | 64% | 0.642 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 44.5 | -172.9 | -167 | 27.3 | 0 | 0 | 0 | 112.1 | A136 D137 | A136-N140 PolarHBondContact O-N 3.45Å; D137-N140 PolarHBondContact O-N 3.42Å |
| 141 | C | 96.8 | Very high | 97.8 | Very high | 16 Ų | 16 | 49.7 Ų | 49.7 | 11% | 0.108 | 25% | 0.252 | C | S | . | . | trans | -127.6 | 161.5 | 176.6 | 72.7 | 0 | 0 | 0 | 0 | 111.6 | M112 A136 W139 | M112-C141 HydrophobicContact CB-CB 4.41Å; A136-C141 PolarHBondContact O-N 2.91Å; W139-C141 PolarHBondContact O-N 3.19Å | ||
| 142 | P | 98.4 | Very high | 97.8 | Very high | 27 Ų | 27 | 49 Ų | 49 | 18% | 0.175 | 25% | 0.253 | C | S | . | . | trans | -64.8 | 153.7 | 173.4 | -19.9 | 33 | 0 | 0 | 0 | 112.5 | M112 I113 L114 E160 Q164 | M112-P142 VanDerWaalsContact O-CD 3.31Å; M112-P142 WeakPolarHBondContact O-CD 3.47Å; I113-P142 HydrophobicContact CD1-CB 3.99Å; I113-P142 HydrophobicContact CG1-CB 4.06Å; L114-P142 PolarHBondContact N-O 2.96Å; P142-E160 HydrophobicContact CB-CG 4.23Å; P142-E160 HydrophobicContact CG-CG 4.2Å; P142-E160 WeakPolarHBondContact CG-OE1 3.48Å; P142-Q164 HydrophobicContact CG-CG 3.97Å; P142-Q164 VanDerWaalsContact CG-NE2 3.27Å | ||
| 143 | F | 98.7 | Very high | 97.8 | Very high | 35 Ų | 35 | 51.5 Ų | 51.5 | 15% | 0.154 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 136.7 | 171.7 | 174.7 | -121.1 | 0 | 0 | 0 | 109.7 | Y83 L114 K133 A136 E145 | Y83-F143 HydrophobicContact CE1-CE2 4.14Å; Y83-F143 WeakPolarHBondContact OH-CE2 3.48Å; L114-F143 HydrophobicContact CB-CD2 4.31Å; L114-F143 HydrophobicContact CD2-CD2 4.16Å; L114-F143 HydrophobicContact CG-CD2 4.07Å; L114-F143 WeakPolarHBondContact O-CA 3.43Å; K133-F143 HydrophobicContact CB-CD1 4.06Å; K133-F143 HydrophobicContact CB-CE1 4.43Å; K133-F143 HydrophobicContact CD-CB 4.47Å; K133-F143 HydrophobicContact CD-CD1 4.45Å; A136-F143 HydrophobicContact CB-CB 3.58Å; A136-F143 HydrophobicContact CB-CG 4.42Å; F143-E145 HydrophobicContact CE1-CG 3.94Å; F143-E145 HydrophobicContact CE2-CG 4.42Å; F143-E145 HydrophobicContact CZ-CG 3.56Å |
| 144 | M | 98.8 | Very high | 97.8 | Very high | 34 Ų | 34 | 46.9 Ų | 46.9 | 17% | 0.167 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 141.3 | 171.3 | -71.7 | -177.6 | 179.6 | 0 | 0 | 110.9 | I113 L114 V115 G116 E156 L157 E160 | I113-M144 HydrophobicContact CD1-CB 4.47Å; I113-M144 HydrophobicContact CD1-CE 4.24Å; I113-M144 HydrophobicContact CD1-CG 3.98Å; I113-M144 HydrophobicContact CD1-SD 3.81Å; L114-M144 PolarHBondContact O-N 3.13Å; V115-M144 VanDerWaalsContact CA-O 3.3Å; V115-M144 WeakPolarHBondContact CA-O 3.44Å; G116-M144 PolarHBondContact N-O 2.74Å; M144-E156 HydrophobicContact CE-CG 3.72Å; M144-E156 HydrophobicContact SD-CG 4.28Å; M144-L157 HydrophobicContact SD-CB 4.33Å; M144-E160 HydrophobicContact CE-CB 3.76Å; M144-E160 HydrophobicContact CE-CG 3.85Å |
| 145 | E | 98.8 | Very high | 97.7 | Very high | 34 Ų | 34 | 47.3 Ų | 47.3 | 16% | 0.159 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 135.3 | 162.9 | -66.5 | -169.4 | 174.9 | 0 | 0 | 109.8 | L85 G116 V119 R125 S129 F143 S153 | L85-E145 HydrophobicContact CD1-CB 4.39Å; L85-E145 HydrophobicContact CD1-CG 4.16Å; L85-E145 HydrophobicContact CD2-CG 4.45Å; G116-E145 CarbonylContact O-C 3.55Å; G116-E145 WeakPolarHBondContact O-CA 3.24Å; V119-E145 HydrophobicContact CB-CB 4.25Å; V119-E145 HydrophobicContact CG2-CB 4.18Å; V119-E145 VanDerWaalsContact CG2-OE2 3.3Å; V119-E145 WeakPolarHBondContact CG2-OE2 3.38Å; R125-E145 IonicContact CZ-OE1 3.57Å; R125-E145 IonicContact CZ-OE2 2.96Å; R125-E145 IonicContact NH1-OE1 3.63Å; R125-E145 PolarHBondContact NH1-OE1 2.62Å; R125-E145 IonicContact NH1-OE2 3.16Å; R125-E145 IonicContact NH2-OE1 3.66Å; R125-E145 IonicContact NH2-OE2 3.45Å; R125-E145 PolarHBondContact NH2-OE2 2.91Å; S129-E145 VanDerWaalsContact CA-OE1 3.25Å; S129-E145 WeakPolarHBondContact CA-OE1 3.4Å; S129-E145 WeakPolarHBondContact CB-OE1 3.23Å; S129-E145 PolarHBondContact OG-OE1 2.88Å; F143-E145 HydrophobicContact CE1-CG 3.94Å; F143-E145 HydrophobicContact CE2-CG 4.42Å; F143-E145 HydrophobicContact CZ-CG 3.56Å; E145-S153 WeakPolarHBondContact O-CB 3.37Å; E145-S153 PolarHBondContact O-OG 3.28Å |
| 146 | T | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 156.4 | -173.4 | 61.8 | 0 | 0 | 0 | 0 | 111.8 | V115 G116 N117 K118 V119 T152 L157 | V115-T146 HydrophobicContact CG1-CG2 3.68Å; V115-T146 VanDerWaalsContact CG1-OG1 3.31Å; V115-T146 WeakPolarHBondContact CG1-OG1 3.21Å; G116-T146 PolarHBondContact O-N 2.94Å; N117-T146 CarbonylContact C-O 3.55Å; N117-T146 WeakPolarHBondContact CA-O 3.32Å; N117-T146 PolarHBondContact OD1-O 3.24Å; N117-T146 VanDerWaalsContact OD1-O 3.14Å; N117-T146 PolarHBondContact OD1-OG1 3.33Å; K118-T146 PolarHBondContact N-O 3.12Å; V119-T146 WeakPolarHBondContact CG1-O 3.23Å; V119-T146 PolarHBondContact N-O 3.39Å; V119-T146 VanDerWaalsContact N-O 3.08Å; T146-T152 WeakPolarHBondContact CA-O 3.47Å; T146-L157 HydrophobicContact CG2-CB 4.46Å; T146-L157 HydrophobicContact CG2-CD2 4.2Å |
| 147 | S | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -129 | 111.2 | 162.8 | 175.8 | 0 | 0 | 0 | 0 | 108.7 | D120 K149 N150 K151 T152 V154 | D120-S147 VanDerWaalsContact CG-OG 3.22Å; D120-S147 VanDerWaalsContact OD1-CB 3.25Å; D120-S147 WeakPolarHBondContact OD1-CB 3.15Å; D120-S147 PolarHBondContact OD1-OG 2.59Å; S147-K149 PolarHBondContact O-N 2.81Å; S147-K149 PolarHBondContact OG-N 2.79Å; S147-N150 PolarHBondContact OG-N 3.39Å; S147-K151 CarbonylContact O-C 3.58Å; S147-K151 VanDerWaalsContact O-CA 3.24Å; S147-K151 WeakPolarHBondContact O-CA 3.48Å; S147-K151 PolarHBondContact O-N 3.29Å; S147-T152 PolarHBondContact N-O 2.98Å; S147-T152 PolarHBondContact O-N 3.05Å; S147-V154 WeakPolarHBondContact O-CG2 3.48Å |
| 148 | A | 97.4 | Very high | 97.8 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -38.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | A19 L20 Q23 F29 N117 | A19-A148 HydrophobicContact CB-CB 3.63Å; L20-A148 HydrophobicContact CD2-CB 3.94Å; L20-A148 HydrophobicContact CG-CB 4.19Å; Q23-A148 VanDerWaalsContact CD-O 3.3Å; Q23-A148 VanDerWaalsContact CG-O 3.3Å; Q23-A148 WeakPolarHBondContact CG-O 3.4Å; Q23-A148 PolarHBondContact NE2-O 2.89Å; F29-A148 HydrophobicContact CD2-CB 4.19Å; F29-A148 HydrophobicContact CE2-CB 4.19Å; N117-A148 PolarHBondContact OD1-N 2.8Å |
| 149 | K | 96.6 | Very high | 97.8 | Very high | 102 Ų | 102 | 40.6 Ų | 40.6 | 44% | 0.443 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -50.3 | -179.3 | -174.9 | -179.9 | -177.7 | 176.5 | 0 | 112.6 | F29 D120 S147 | F29-K149 HydrophobicContact CD1-CB 4.32Å; F29-K149 HydrophobicContact CD1-CG 4.07Å; F29-K149 HydrophobicContact CD2-CB 4.35Å; F29-K149 HydrophobicContact CE1-CB 4.09Å; F29-K149 HydrophobicContact CE1-CD 4.48Å; F29-K149 HydrophobicContact CE1-CG 3.88Å; F29-K149 HydrophobicContact CE2-CB 4.14Å; F29-K149 HydrophobicContact CG-CB 4.44Å; F29-K149 HydrophobicContact CZ-CB 4.01Å; F29-K149 HydrophobicContact CZ-CG 4.28Å; D120-K149 WeakPolarHBondContact OD2-CD 3.44Å; S147-K149 PolarHBondContact O-N 2.81Å; S147-K149 PolarHBondContact OG-N 2.79Å |
| 150 | N | 97.1 | Very high | 98 | Very high | 101 Ų | 101 | 41 Ų | 41 | 54% | 0.54 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 2.1 | -176 | -63.9 | -12.1 | 0 | 0 | 0 | 113.2 | D120 S147 T152 | D120-N150 WeakPolarHBondContact CB-ND2 2.93Å; S147-N150 PolarHBondContact OG-N 3.39Å; N150-T152 PolarHBondContact O-N 3.21Å |
| 151 | K | 97.3 | Very high | 98.2 | Very high | 83 Ų | 83 | 35.2 Ų | 35.2 | 36% | 0.361 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 18 | -172.4 | -151.8 | -179.7 | 176 | -154.3 | 0 | 114.2 | Q23 S147 S153 V154 D155 | Q23-K151 HydrophobicContact CG-CB 4.33Å; Q23-K151 HydrophobicContact CG-CG 3.9Å; S147-K151 CarbonylContact O-C 3.58Å; S147-K151 VanDerWaalsContact O-CA 3.24Å; S147-K151 WeakPolarHBondContact O-CA 3.48Å; S147-K151 PolarHBondContact O-N 3.29Å; K151-S153 PolarHBondContact O-N 2.85Å; K151-V154 HydrophobicContact CG-CB 4.13Å; K151-V154 HydrophobicContact CG-CG2 4.35Å; K151-V154 PolarHBondContact O-N 3.5Å; K151-D155 WeakPolarHBondContact CE-OD2 3.43Å; K151-D155 IonicContact NZ-OD1 3.64Å; K151-D155 IonicContact NZ-OD2 2.74Å; K151-D155 PolarHBondContact NZ-OD2 3.43Å |
| 152 | T | 98.4 | Very high | 98.2 | Very high | 60 Ų | 60 | 34.5 Ų | 34.5 | 37% | 0.368 | 18% | 0.178 | S | C | . | . | B | Isolated β-bridge | trans | -63.5 | 120.9 | 178.8 | -51.9 | 0 | 0 | 0 | 0 | 110.3 | V119 T146 S147 N150 V154 | V119-T152 HydrophobicContact CG1-CG2 4.33Å; T146-T152 WeakPolarHBondContact CA-O 3.47Å; S147-T152 PolarHBondContact N-O 2.98Å; S147-T152 PolarHBondContact O-N 3.05Å; N150-T152 PolarHBondContact O-N 3.21Å; T152-V154 PolarHBondContact O-N 3.09Å |
| 153 | S | 98.3 | Very high | 98.1 | Very high | 52 Ų | 52 | 35.4 Ų | 35.4 | 36% | 0.364 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 13 | 177.1 | -50.9 | 0 | 0 | 0 | 0 | 115.6 | E145 K151 L157 | E145-S153 WeakPolarHBondContact O-CB 3.37Å; E145-S153 PolarHBondContact O-OG 3.28Å; K151-S153 PolarHBondContact O-N 2.85Å; S153-L157 WeakPolarHBondContact O-CB 3.26Å; S153-L157 PolarHBondContact O-N 3.18Å |
| 154 | V | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.4 | -49.7 | -176.3 | 176 | 0 | 0 | 0 | 0 | 111.4 | L20 Q23 F24 S147 K151 T152 E156 L157 F158 | L20-V154 HydrophobicContact CD2-CG2 3.84Å; Q23-V154 HydrophobicContact CB-CG1 4.4Å; Q23-V154 HydrophobicContact CG-CG1 4.17Å; Q23-V154 HydrophobicContact CG-CG2 4.28Å; F24-V154 HydrophobicContact CB-CG1 3.83Å; S147-V154 WeakPolarHBondContact O-CG2 3.48Å; K151-V154 HydrophobicContact CG-CB 4.13Å; K151-V154 HydrophobicContact CG-CG2 4.35Å; K151-V154 PolarHBondContact O-N 3.5Å; T152-V154 PolarHBondContact O-N 3.09Å; V154-E156 VanDerWaalsContact C-N 3.33Å; V154-E156 PolarHBondContact O-N 3.28Å; V154-L157 WeakPolarHBondContact O-CB 3.29Å; V154-L157 PolarHBondContact O-N 3.37Å; V154-F158 HydrophobicContact CG1-CD2 4.5Å; V154-F158 HydrophobicContact CG1-CE2 4.37Å; V154-F158 WeakPolarHBondContact O-CD2 3.44Å; V154-F158 PolarHBondContact O-N 3.5Å |
| 155 | D | 97.9 | Very high | 97.8 | Very high | 68 Ų | 68 | 33.2 Ų | 33.2 | 36% | 0.364 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -66 | -39.1 | -179.7 | -66.6 | -36.3 | 0 | 0 | 0 | 111.2 | F24 K151 F158 A159 | F24-D155 WeakPolarHBondContact CD2-OD1 3.2Å; K151-D155 WeakPolarHBondContact CE-OD2 3.43Å; K151-D155 IonicContact NZ-OD1 3.64Å; K151-D155 IonicContact NZ-OD2 2.74Å; K151-D155 PolarHBondContact NZ-OD2 3.43Å; D155-F158 PolarHBondContact O-N 3.39Å; D155-A159 PolarHBondContact O-N 3.26Å; D155-A159 VanDerWaalsContact O-N 3.07Å |
| 156 | E | 98.5 | Very high | 97.6 | Very high | 83 Ų | 83 | 33.6 Ų | 33.6 | 39% | 0.388 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -67.3 | -35.5 | 178.8 | -176.5 | 55.7 | -155.5 | 0 | 0 | 112.5 | M144 V154 F158 A159 E160 R163 | M144-E156 HydrophobicContact CE-CG 3.72Å; M144-E156 HydrophobicContact SD-CG 4.28Å; V154-E156 VanDerWaalsContact C-N 3.33Å; V154-E156 PolarHBondContact O-N 3.28Å; E156-F158 PolarHBondContact O-N 3.47Å; E156-A159 PolarHBondContact O-N 2.8Å; E156-E160 VanDerWaalsContact O-CB 3.28Å; E156-E160 WeakPolarHBondContact O-CB 3.45Å; E156-E160 PolarHBondContact O-N 3.04Å; E156-R163 IonicContact OE1-CZ 3.13Å; E156-R163 IonicContact OE1-NH1 3.56Å; E156-R163 PolarHBondContact OE1-NH1 2.82Å; E156-R163 IonicContact OE1-NH2 2.78Å; E156-R163 IonicContact OE2-NH1 2.73Å; E156-R163 IonicContact OE2-NH2 3.62Å |
| 157 | L | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -55.2 | -50.6 | 172.7 | 164.1 | 60.1 | 0 | 0 | 0 | 111.9 | L20 I80 I113 V115 M144 T146 S153 V154 E160 I161 | L20-L157 HydrophobicContact CD1-CD2 4.23Å; I80-L157 HydrophobicContact CD1-CD1 4.19Å; I80-L157 HydrophobicContact CD1-CG 4.21Å; I80-L157 HydrophobicContact CG1-CD1 4.31Å; I80-L157 HydrophobicContact CG2-CD1 3.99Å; I80-L157 HydrophobicContact CG2-CD2 4.2Å; I113-L157 HydrophobicContact CD1-CD1 3.78Å; I113-L157 HydrophobicContact CG1-CD1 4.18Å; I113-L157 HydrophobicContact CG2-CD1 3.67Å; V115-L157 HydrophobicContact CG1-CD2 4.28Å; V115-L157 HydrophobicContact CG2-CD1 3.41Å; V115-L157 VanDerWaalsContact CG2-CD1 3.41Å; V115-L157 HydrophobicContact CG2-CD2 4.04Å; V115-L157 HydrophobicContact CG2-CG 4.37Å; M144-L157 HydrophobicContact SD-CB 4.33Å; T146-L157 HydrophobicContact CG2-CB 4.46Å; T146-L157 HydrophobicContact CG2-CD2 4.2Å; S153-L157 WeakPolarHBondContact O-CB 3.26Å; S153-L157 PolarHBondContact O-N 3.18Å; V154-L157 WeakPolarHBondContact O-CB 3.29Å; V154-L157 PolarHBondContact O-N 3.37Å; L157-E160 PolarHBondContact O-N 3.13Å; L157-I161 PolarHBondContact O-N 2.88Å; L157-I161 VanDerWaalsContact O-N 3.17Å |
| 158 | F | 98.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -74.4 | -27.9 | -177.7 | -74 | -81.6 | 0 | 0 | 0 | 112.5 | F24 L54 I56 I80 V154 D155 E156 I161 V162 | F24-F158 HydrophobicContact CB-CD2 3.54Å; F24-F158 HydrophobicContact CB-CE2 3.39Å; F24-F158 HydrophobicContact CB-CG 4.42Å; F24-F158 HydrophobicContact CB-CZ 4.17Å; F24-F158 HydrophobicContact CD1-CB 4.21Å; F24-F158 HydrophobicContact CD1-CD1 4Å; F24-F158 AromaticContact CD1-CD2 3.69Å; F24-F158 HydrophobicContact CD1-CD2 3.69Å; F24-F158 HydrophobicContact CD1-CE1 4.29Å; F24-F158 HydrophobicContact CD1-CE2 4.01Å; F24-F158 AromaticContact CD1-CG 3.7Å; F24-F158 HydrophobicContact CD1-CG 3.7Å; F24-F158 HydrophobicContact CD1-CZ 4.29Å; F24-F158 HydrophobicContact CD2-CB 3.9Å; F24-F158 AromaticContact CD2-CD2 3.5Å; F24-F158 HydrophobicContact CD2-CD2 3.5Å; F24-F158 VanDerWaalsContact CD2-CD2 3.5Å; F24-F158 HydrophobicContact CD2-CE2 4.28Å; F24-F158 AromaticContact CD2-CG 3.89Å; F24-F158 HydrophobicContact CD2-CG 3.89Å; F24-F158 HydrophobicContact CE1-CB 3.8Å; F24-F158 HydrophobicContact CE1-CD1 4.02Å; F24-F158 HydrophobicContact CE1-CD2 4.18Å; F24-F158 AromaticContact CE1-CG 3.74Å; F24-F158 HydrophobicContact CE1-CG 3.74Å; F24-F158 HydrophobicContact CE2-CB 3.46Å; F24-F158 VanDerWaalsContact CE2-CB 3.46Å; F24-F158 HydrophobicContact CE2-CD2 4.01Å; F24-F158 AromaticContact CE2-CG 3.93Å; F24-F158 HydrophobicContact CE2-CG 3.93Å; F24-F158 HydrophobicContact CG-CB 4.23Å; F24-F158 HydrophobicContact CG-CD1 4.44Å; F24-F158 AromaticContact CG-CD2 3.28Å; F24-F158 HydrophobicContact CG-CD2 3.28Å; F24-F158 AromaticContact CG-CE2 3.66Å; F24-F158 HydrophobicContact CG-CE2 3.66Å; F24-F158 AromaticContact CG-CG 3.74Å; F24-F158 HydrophobicContact CG-CG 3.74Å; F24-F158 HydrophobicContact CG-CZ 4.37Å; F24-F158 HydrophobicContact CZ-CB 3.36Å; F24-F158 HydrophobicContact CZ-CD1 4.46Å; F24-F158 HydrophobicContact CZ-CD2 4.29Å; F24-F158 AromaticContact CZ-CG 3.82Å; F24-F158 HydrophobicContact CZ-CG 3.82Å; L54-F158 HydrophobicContact CD2-CB 4.14Å; L54-F158 HydrophobicContact CD2-CD1 4.26Å; I56-F158 HydrophobicContact CD1-CD1 3.93Å; I56-F158 HydrophobicContact CD1-CE1 3.65Å; I56-F158 HydrophobicContact CD1-CZ 4.37Å; I56-F158 HydrophobicContact CG1-CD1 4.48Å; I56-F158 HydrophobicContact CG1-CE1 4.19Å; I56-F158 HydrophobicContact CG2-CE1 4.16Å; I80-F158 HydrophobicContact CD1-CD1 3.83Å; I80-F158 HydrophobicContact CD1-CE1 3.63Å; I80-F158 HydrophobicContact CD1-CZ 4.22Å; V154-F158 HydrophobicContact CG1-CD2 4.5Å; V154-F158 HydrophobicContact CG1-CE2 4.37Å; V154-F158 WeakPolarHBondContact O-CD2 3.44Å; V154-F158 PolarHBondContact O-N 3.5Å; D155-F158 PolarHBondContact O-N 3.39Å; E156-F158 PolarHBondContact O-N 3.47Å; F158-I161 VanDerWaalsContact O-CG2 3.32Å; F158-I161 WeakPolarHBondContact O-CG2 3.23Å; F158-V162 WeakPolarHBondContact O-CG2 3.49Å |
| 159 | A | 98.3 | Very high | 95 | Very high | 12 Ų | 12 | 45.7 Ų | 45.7 | 10% | 0.099 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67 | -43.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V47 D155 E156 I161 V162 R163 | V47-A159 HydrophobicContact CG1-CB 4.4Å; V47-A159 HydrophobicContact CG2-CB 4.18Å; D155-A159 PolarHBondContact O-N 3.26Å; D155-A159 VanDerWaalsContact O-N 3.07Å; E156-A159 PolarHBondContact O-N 2.8Å; A159-I161 PolarHBondContact O-N 3.07Å; A159-V162 WeakPolarHBondContact O-CB 3.31Å; A159-V162 PolarHBondContact O-N 3.31Å; A159-V162 VanDerWaalsContact O-N 3.12Å; A159-R163 PolarHBondContact O-N 3.17Å |
| 160 | E | 98.6 | Very high | 93.7 | Very high | 29 Ų | 29 | 44.9 Ų | 44.9 | 14% | 0.136 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66 | -39.7 | -175.8 | -178.1 | 53.3 | -152.4 | 0 | 0 | 112.7 | I113 P142 M144 E156 L157 V162 R163 Q164 | I113-E160 HydrophobicContact CD1-CB 4.12Å; I113-E160 HydrophobicContact CD1-CG 3.8Å; P142-E160 HydrophobicContact CB-CG 4.23Å; P142-E160 HydrophobicContact CG-CG 4.2Å; P142-E160 WeakPolarHBondContact CG-OE1 3.48Å; M144-E160 HydrophobicContact CE-CB 3.76Å; M144-E160 HydrophobicContact CE-CG 3.85Å; E156-E160 VanDerWaalsContact O-CB 3.28Å; E156-E160 WeakPolarHBondContact O-CB 3.45Å; E156-E160 PolarHBondContact O-N 3.04Å; L157-E160 PolarHBondContact O-N 3.13Å; E160-V162 PolarHBondContact O-N 3.29Å; E160-R163 WeakPolarHBondContact O-CB 3.42Å; E160-R163 PolarHBondContact O-N 2.86Å; E160-R163 VanDerWaalsContact O-N 3.1Å; E160-R163 IonicContact OE2-CZ 2.81Å; E160-R163 IonicContact OE2-NH1 3.56Å; E160-R163 PolarHBondContact OE2-NH1 2.86Å; E160-Q164 WeakPolarHBondContact O-CG 3.19Å; E160-Q164 PolarHBondContact O-N 2.88Å; E160-Q164 PolarHBondContact OE1-NE2 3.29Å |
| 161 | I | 98.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.9 | -31 | 175.7 | -168.5 | 55.2 | 0 | 0 | 0 | 112 | V7 I80 P111 I113 L157 F158 A159 Q164 M165 | V7-I161 HydrophobicContact CG1-CG1 4.26Å; V7-I161 HydrophobicContact CG1-CG2 4.22Å; V7-I161 HydrophobicContact CG2-CG1 4.38Å; V7-I161 HydrophobicContact CG2-CG2 3.96Å; I80-I161 HydrophobicContact CD1-CG2 4.19Å; I80-I161 HydrophobicContact CG1-CB 4.3Å; I80-I161 HydrophobicContact CG1-CG1 4.22Å; I80-I161 HydrophobicContact CG1-CG2 4.41Å; P111-I161 HydrophobicContact CB-CD1 4.45Å; I113-I161 HydrophobicContact CG2-CB 4.29Å; I113-I161 HydrophobicContact CG2-CD1 4.15Å; L157-I161 PolarHBondContact O-N 2.88Å; L157-I161 VanDerWaalsContact O-N 3.17Å; F158-I161 VanDerWaalsContact O-CG2 3.32Å; F158-I161 WeakPolarHBondContact O-CG2 3.23Å; A159-I161 PolarHBondContact O-N 3.07Å; I161-Q164 HydrophobicContact CD1-CB 4.36Å; I161-Q164 PolarHBondContact O-N 2.81Å; I161-M165 HydrophobicContact CG1-CE 4.34Å; I161-M165 WeakPolarHBondContact O-CE 3.07Å; I161-M165 WeakPolarHBondContact O-CG 3.49Å; I161-M165 PolarHBondContact O-N 3.31Å |
| 162 | V | 97.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.5 | -42.7 | 173.7 | 175.7 | 0 | 0 | 0 | 0 | 111 | Y5 I45 V47 L54 F158 A159 E160 Q164 M165 N166 | Y5-V162 HydrophobicContact CD1-CG1 4.49Å; Y5-V162 HydrophobicContact CD2-CG1 4.18Å; Y5-V162 HydrophobicContact CE1-CG1 4.14Å; Y5-V162 HydrophobicContact CE2-CG1 3.82Å; Y5-V162 HydrophobicContact CG-CG1 4.49Å; I45-V162 HydrophobicContact CD1-CG2 4.26Å; V47-V162 HydrophobicContact CB-CG1 4.11Å; V47-V162 HydrophobicContact CG1-CB 4.32Å; V47-V162 HydrophobicContact CG1-CG1 4.16Å; V47-V162 HydrophobicContact CG2-CB 4.05Å; V47-V162 HydrophobicContact CG2-CG1 4Å; V47-V162 HydrophobicContact CG2-CG2 4.31Å; L54-V162 HydrophobicContact CD1-CG2 3.56Å; L54-V162 HydrophobicContact CD2-CG2 3.9Å; L54-V162 HydrophobicContact CG-CG2 3.98Å; F158-V162 WeakPolarHBondContact O-CG2 3.49Å; A159-V162 WeakPolarHBondContact O-CB 3.31Å; A159-V162 PolarHBondContact O-N 3.31Å; A159-V162 VanDerWaalsContact O-N 3.12Å; E160-V162 PolarHBondContact O-N 3.29Å; V162-Q164 VanDerWaalsContact C-N 3.32Å; V162-Q164 PolarHBondContact O-N 2.87Å; V162-M165 HydrophobicContact CB-CE 4.43Å; V162-M165 HydrophobicContact CG2-CE 4.04Å; V162-M165 PolarHBondContact O-N 2.83Å; V162-N166 PolarHBondContact O-N 3.41Å; V162-N166 PolarHBondContact O-ND2 2.69Å |
| 163 | R | 96.9 | Very high | 86.9 | Confident | 47 Ų | 47 | 50 Ų | 50 | 18% | 0.177 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.4 | -47.4 | 172.4 | -60.6 | -167.2 | -164.2 | 102.5 | 0.4 | 110.5 | V47 D48 E156 A159 E160 M165 N166 Y167 | V47-R163 HydrophobicContact CG1-CG 3.82Å; D48-R163 IonicContact OD1-CZ 2.89Å; D48-R163 IonicContact OD1-NE 3.95Å; D48-R163 PolarHBondContact OD1-NE 3.04Å; D48-R163 IonicContact OD1-NH2 2.7Å; D48-R163 PolarHBondContact OD1-NH2 2.91Å; D48-R163 VanDerWaalsContact OD2-CD 3.28Å; D48-R163 WeakPolarHBondContact OD2-CD 3.26Å; D48-R163 WeakPolarHBondContact OD2-CG 3.48Å; D48-R163 IonicContact OD2-NE 3.27Å; D48-R163 PolarHBondContact OD2-NE 3.16Å; D48-R163 VanDerWaalsContact OD2-NE 3.16Å; E156-R163 IonicContact OE1-CZ 3.13Å; E156-R163 IonicContact OE1-NH1 3.56Å; E156-R163 PolarHBondContact OE1-NH1 2.82Å; E156-R163 IonicContact OE1-NH2 2.78Å; E156-R163 IonicContact OE2-NH1 2.73Å; E156-R163 IonicContact OE2-NH2 3.62Å; A159-R163 PolarHBondContact O-N 3.17Å; E160-R163 WeakPolarHBondContact O-CB 3.42Å; E160-R163 PolarHBondContact O-N 2.86Å; E160-R163 VanDerWaalsContact O-N 3.1Å; E160-R163 IonicContact OE2-CZ 2.81Å; E160-R163 IonicContact OE2-NH1 3.56Å; E160-R163 PolarHBondContact OE2-NH1 2.86Å; R163-M165 VanDerWaalsContact C-N 3.32Å; R163-M165 PolarHBondContact O-N 2.68Å; R163-N166 WeakPolarHBondContact O-CB 3.36Å; R163-N166 PolarHBondContact O-N 3.3Å; R163-Y167 WeakPolarHBondContact O-CD2 3.39Å; R163-Y167 PolarHBondContact O-N 2.8Å |
| 164 | Q | 96.4 | Very high | 84.1 | Confident | 21 Ų | 21 | 51.1 Ų | 51.1 | 10% | 0.098 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58 | -41.8 | 177.1 | -66.7 | -57.2 | -45.9 | 0 | 0 | 112.7 | P111 P142 E160 I161 V162 N166 Y167 A168 | P111-Q164 HydrophobicContact CB-CB 4.08Å; P142-Q164 HydrophobicContact CG-CG 3.97Å; P142-Q164 VanDerWaalsContact CG-NE2 3.27Å; E160-Q164 WeakPolarHBondContact O-CG 3.19Å; E160-Q164 PolarHBondContact O-N 2.88Å; E160-Q164 PolarHBondContact OE1-NE2 3.29Å; I161-Q164 HydrophobicContact CD1-CB 4.36Å; I161-Q164 PolarHBondContact O-N 2.81Å; V162-Q164 VanDerWaalsContact C-N 3.32Å; V162-Q164 PolarHBondContact O-N 2.87Å; Q164-N166 VanDerWaalsContact C-N 3.34Å; Q164-N166 PolarHBondContact O-N 2.94Å; Q164-Y167 PolarHBondContact O-N 3.46Å; Q164-A168 PolarHBondContact O-N 2.85Å |
| 165 | M | 95.1 | Very high | 81.5 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.3 | -34.5 | 175.3 | -72.9 | -176.8 | -71.7 | 0 | 0 | 112.5 | Y5 V7 Q77 G78 P111 I161 V162 R163 N169 | Y5-M165 HydrophobicContact CD1-CB 3.94Å; Y5-M165 HydrophobicContact CD1-CE 3.69Å; Y5-M165 HydrophobicContact CD1-SD 3.92Å; Y5-M165 HydrophobicContact CE1-CB 4.18Å; Y5-M165 HydrophobicContact CG-CE 3.85Å; Y5-M165 HydrophobicContact CG-SD 4.43Å; V7-M165 HydrophobicContact CG2-CE 3.61Å; V7-M165 HydrophobicContact CG2-SD 4.42Å; Q77-M165 VanDerWaalsContact C-SD 3.59Å; Q77-M165 HydrophobicContact CB-CG 4.42Å; Q77-M165 HydrophobicContact CB-SD 3.56Å; Q77-M165 VanDerWaalsContact CB-SD 3.56Å; G78-M165 PolarHBondContact N-SD 2.9Å; G78-M165 VanDerWaalsContact N-SD 3.42Å; P111-M165 HydrophobicContact CB-CB 4.33Å; P111-M165 HydrophobicContact CB-CG 3.56Å; P111-M165 HydrophobicContact CG-CB 4.37Å; P111-M165 HydrophobicContact CG-CG 3.86Å; I161-M165 HydrophobicContact CG1-CE 4.34Å; I161-M165 WeakPolarHBondContact O-CE 3.07Å; I161-M165 WeakPolarHBondContact O-CG 3.49Å; I161-M165 PolarHBondContact O-N 3.31Å; V162-M165 HydrophobicContact CB-CE 4.43Å; V162-M165 HydrophobicContact CG2-CE 4.04Å; V162-M165 PolarHBondContact O-N 2.83Å; R163-M165 VanDerWaalsContact C-N 3.32Å; R163-M165 PolarHBondContact O-N 2.68Å; M165-N169 PolarHBondContact O-N 2.9Å; M165-N169 PolarHBondContact O-ND2 2.88Å |
| 166 | N | 92.6 | Very high | 78.8 | Confident | 42 Ų | 42 | 60.9 Ų | 60.9 | 23% | 0.225 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.9 | -45.8 | 174.9 | -77 | -32.9 | 0 | 0 | 0 | 112.3 | R3 Y5 V162 R163 Q164 A168 N169 | R3-N166 PolarHBondContact NH1-OD1 2.8Å; Y5-N166 WeakPolarHBondContact CE1-OD1 3.21Å; Y5-N166 PolarHBondContact OH-ND2 3.3Å; Y5-N166 PolarHBondContact OH-OD1 2.82Å; V162-N166 PolarHBondContact O-N 3.41Å; V162-N166 PolarHBondContact O-ND2 2.69Å; R163-N166 WeakPolarHBondContact O-CB 3.36Å; R163-N166 PolarHBondContact O-N 3.3Å; Q164-N166 VanDerWaalsContact C-N 3.34Å; Q164-N166 PolarHBondContact O-N 2.94Å; N166-A168 PolarHBondContact O-N 3.15Å; N166-N169 PolarHBondContact O-N 3.18Å |
| 167 | Y | 86.8 | Confident | 76.5 | Confident | 126 Ų | 126 | 62.2 Ų | 62.2 | 49% | 0.494 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60 | -44.7 | 176.3 | -84.2 | -76.9 | 0 | 0 | 0 | 112.1 | R163 Q164 N169 T170 | R163-Y167 WeakPolarHBondContact O-CD2 3.39Å; R163-Y167 PolarHBondContact O-N 2.8Å; Q164-Y167 PolarHBondContact O-N 3.46Å; Y167-N169 PolarHBondContact O-N 2.81Å; Y167-T170 PolarHBondContact O-N 3.25Å; Y167-T170 PolarHBondContact O-OG1 3.1Å |
| 168 | A | 81.4 | Confident | 74 | Confident | 37 Ų | 37 | 67.3 Ų | 67.3 | 31% | 0.306 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.3 | -24.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | P111 Q164 N166 T170 | P111-A168 HydrophobicContact CG-CB 3.62Å; Q164-A168 PolarHBondContact O-N 2.85Å; N166-A168 PolarHBondContact O-N 3.15Å; A168-T170 VanDerWaalsContact C-N 3.34Å |
| 169 | N | 73.7 | Confident | 71.2 | Confident | 95 Ų | 95 | 72.1 Ų | 72.1 | 51% | 0.508 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -1.3 | 178.6 | -75.5 | -47.5 | 0 | 0 | 0 | 113.7 | R3 M165 N166 Y167 | R3-N169 PolarHBondContact NH2-ND2 2.68Å; M165-N169 PolarHBondContact O-N 2.9Å; M165-N169 PolarHBondContact O-ND2 2.88Å; N166-N169 PolarHBondContact O-N 3.18Å; Y167-N169 PolarHBondContact O-N 2.81Å |
| 170 | T | 68.1 | Low | 68.7 | Low | 84 Ų | 84 | 76.9 Ų | 76.9 | 52% | 0.515 | 49% | 0.489 | S | S | . | . | trans | -80.9 | 124.5 | 176.8 | 51.4 | 0 | 0 | 0 | 0 | 111 | Y167 A168 N172 | Y167-T170 PolarHBondContact O-N 3.25Å; Y167-T170 PolarHBondContact O-OG1 3.1Å; A168-T170 VanDerWaalsContact C-N 3.34Å; T170-N172 PolarHBondContact O-N 3.28Å; T170-N172 VanDerWaalsContact O-N 3.1Å | ||
| 171 | P | 51.3 | Low | 65.6 | Low | 126 Ų | 126 | 81.4 Ų | 81.4 | 82% | 0.818 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -72.5 | -1.2 | -171.4 | 25.6 | -32.6 | 0 | 0 | 0 | 115.1 | ||
| 172 | N | 49 | Very low | 63 | Low | 137 Ų | 137 | 87 Ų | 87 | 73% | 0.733 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -128.3 | 104.2 | 179.1 | -77 | -29 | 0 | 0 | 0 | 110.3 | T170 G174 | T170-N172 PolarHBondContact O-N 3.28Å; T170-N172 VanDerWaalsContact O-N 3.1Å; N172-G174 PolarHBondContact O-N 3.31Å |
| 173 | G | 51.2 | Low | 60.1 | Low | 89 Ų | 89 | 94.3 Ų | 94.3 | 92% | 0.918 | 59% | 0.594 | S | S | * | * | trans | -55.5 | 119 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 174 | G | 39.3 | Very low | 57.2 | Low | 75 Ų | 75 | 103.1 Ų | 103.1 | 77% | 0.773 | 64% | 0.643 | S | S | * | * | trans | -168.8 | 70.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114 | N172 | N172-G174 PolarHBondContact O-N 3.31Š| ||
| 175 | G | 44.2 | Very low | 55.2 | Low | 76 Ų | 76 | 107.2 Ų | 107.2 | 78% | 0.784 | 67% | 0.67 | S | S | * | * | trans | 90.6 | 125.3 | 144.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 176 | K | 40.4 | Very low | 53.1 | Low | 198 Ų | 198 | 112.8 Ų | 112.8 | 86% | 0.861 | 71% | 0.705 | S | S | * | * | trans | 81.1 | 96.7 | 164.1 | -61.7 | -175.8 | 178.7 | 178.8 | 0 | 116.4 | C178 | K176-C178 PolarHBondContact O-N 3Å; K176-C178 VanDerWaalsContact O-N 3.16Å | ||
| 177 | C | 50.2 | Low | 50.9 | Low | 111 Ų | 111 | 116.7 Ų | 116.7 | 75% | 0.75 | 73% | 0.732 | S | S | * | * | trans | -39.7 | 113 | 138.2 | -164.3 | 0 | 0 | 0 | 0 | 108.5 | S179 | C177-S179 PolarHBondContact O-N 2.96Å; C177-S179 VanDerWaalsContact O-N 3.15Å | ||
| 178 | C | 46.8 | Very low | 48.8 | Very low | 106 Ų | 106 | 116.2 Ų | 116.2 | 72% | 0.716 | 75% | 0.746 | S | S | * | * | trans | -64.3 | 115.2 | 168.3 | -71.6 | 0 | 0 | 0 | 0 | 107.2 | K176 | K176-C178 PolarHBondContact O-N 3Å; K176-C178 VanDerWaalsContact O-N 3.16Å | ||
| 179 | S | 39.9 | Very low | 46.8 | Very low | 102 Ų | 102 | 121.1 Ų | 121.1 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | -50.6 | 155.6 | 171.8 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | C177 C181 | C177-S179 PolarHBondContact O-N 2.96Å; C177-S179 VanDerWaalsContact O-N 3.15Å; S179-C181 PolarHBondContact O-N 3.24Å | ||
| 180 | P | 44.1 | Very low | 45 | Very low | 113 Ų | 113 | 122.9 Ų | 122.9 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | -61.7 | 127.8 | -172.3 | 25.5 | -33 | 0 | 0 | 0 | 110 | V182 | P180-V182 VanDerWaalsContact C-N 3.28Å; P180-V182 PolarHBondContact O-N 3.09Å | ||
| 181 | C | 34.6 | Very low | 43.4 | Very low | 123 Ų | 123 | 125.6 Ų | 125.6 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | trans | -66.5 | 94.9 | 165.9 | -156.3 | 0 | 0 | 0 | 0 | 107 | S179 I183 | S179-C181 PolarHBondContact O-N 3.24Å; C181-I183 PolarHBondContact O-N 2.96Å | ||
| 182 | V | 42.7 | Very low | 42.7 | Very low | 119 Ų | 119 | 125.6 Ų | 125.6 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | trans | -73.2 | 108.5 | 165.7 | -173.1 | 0 | 0 | 0 | 0 | 105.5 | P180 L184 | P180-V182 VanDerWaalsContact C-N 3.28Å; P180-V182 PolarHBondContact O-N 3.09Å; V182-L184 PolarHBondContact O-N 3Å | ||
| 183 | I | 37.8 | Very low | 42.2 | Very low | 153 Ų | 153 | 124.7 Ų | 124.7 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | -68.3 | 116.4 | 169.2 | -59.3 | 179.4 | 0 | 0 | 0 | 106.5 | C181 | C181-I183 PolarHBondContact O-N 2.96Š| ||
| 184 | L | 35.7 | Very low | 41.4 | Very low | 231 Ų | 231 | 127.9 Ų | 127.9 | 100% | 1.209 | 81% | 0.807 | S | S | * | * | trans | -83.3 | 0 | 161.5 | -78.4 | 170.6 | 0 | 0 | 0 | 109.5 | V182 | V182-L184 PolarHBondContact O-N 3Š|
Retrieved 184 of 184 residues in 194.6 ms
(Link to these results)