| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 74.4 | Confident | 95.2 | Very high | 175 Ų | 175 | 53.9 Ų | 53.9 | 86% | 0.862 | 27% | 0.267 | S | S | * | . | 0 | 127 | 0 | -171.4 | 174 | -67.5 | 0 | 0 | 107.1 | V32 I33 | M1-V32 HydrophobicContact CE-CG1 4.34Å; M1-V32 WeakPolarHBondContact CE-O 3.44Å; M1-V32 HydrophobicContact SD-CG1 4.25Å; M1-I33 CarbonylContact C-O 3.54Å; M1-I33 VanDerWaalsContact CA-O 3.26Å; M1-I33 WeakPolarHBondContact CA-O 3.34Å; M1-I33 VanDerWaalsContact CG-O 3.31Å; M1-I33 WeakPolarHBondContact CG-O 3.4Å | |||
| 2 | R | 91.5 | Very high | 95.5 | Very high | 56 Ų | 56 | 58.2 Ų | 58.2 | 21% | 0.211 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 129.2 | -179.1 | -65.8 | -177.5 | -179.5 | 96.5 | 1.6 | 109.4 | Y4 I33 G34 K35 D90 F177 | R2-Y4 HydrophobicContact CB-CD2 4.09Å; R2-Y4 HydrophobicContact CB-CE2 3.75Å; R2-Y4 HydrophobicContact CG-CE2 4.23Å; R2-I33 PolarHBondContact N-O 3.26Å; R2-G34 CarbonylContact O-C 3.54Å; R2-G34 WeakPolarHBondContact O-CA 3.44Å; R2-K35 PolarHBondContact O-N 2.73Å; R2-D90 IonicContact CZ-OD2 2.73Å; R2-D90 IonicContact NH1-OD2 2.84Å; R2-D90 PolarHBondContact NH1-OD2 2.84Å; R2-D90 IonicContact NH2-OD2 3.24Å; R2-D90 PolarHBondContact NH2-OD2 2.67Å; R2-F177 HydrophobicContact CB-CD1 4.43Å; R2-F177 HydrophobicContact CB-CE1 3.95Å; R2-F177 HydrophobicContact CB-CE2 4.37Å; R2-F177 HydrophobicContact CB-CZ 3.91Å |
| 3 | D | 95.4 | Very high | 95.7 | Very high | 93 Ų | 93 | 59.5 Ų | 59.5 | 50% | 0.497 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 98.8 | -176.3 | -165 | -7.7 | 0 | 0 | 0 | 110.4 | T5 K35 | D3-T5 VanDerWaalsContact OD1-CG2 3.24Å; D3-T5 WeakPolarHBondContact OD1-CG2 3.45Å; D3-K35 WeakPolarHBondContact OD1-CE 2.92Å; D3-K35 IonicContact OD1-NZ 2.75Å; D3-K35 VanDerWaalsContact OD2-CE 3.24Å; D3-K35 WeakPolarHBondContact OD2-CE 3.32Å; D3-K35 IonicContact OD2-NZ 3.14Å; D3-K35 PolarHBondContact OD2-NZ 3.27Å |
| 4 | Y | 97.1 | Very high | 95.9 | Very high | 52 Ų | 52 | 58.4 Ų | 58.4 | 20% | 0.204 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 59.1 | -174.1 | -61.8 | -59.1 | 0 | 0 | 0 | 111.6 | R2 K6 K35 V36 A37 F177 V180 | R2-Y4 HydrophobicContact CB-CD2 4.09Å; R2-Y4 HydrophobicContact CB-CE2 3.75Å; R2-Y4 HydrophobicContact CG-CE2 4.23Å; Y4-K6 PolarHBondContact O-N 3.39Å; Y4-K35 PolarHBondContact N-O 3.28Å; Y4-V36 CarbonylContact O-C 3.56Å; Y4-V36 VanDerWaalsContact O-CA 3.27Å; Y4-V36 WeakPolarHBondContact O-CA 3.41Å; Y4-A37 PolarHBondContact O-N 2.91Å; Y4-F177 AromaticContact CD2-CD1 3.58Å; Y4-F177 HydrophobicContact CD2-CD1 3.58Å; Y4-F177 AromaticContact CD2-CE1 3.84Å; Y4-F177 HydrophobicContact CD2-CE1 3.84Å; Y4-F177 AromaticContact CE2-CD1 3.71Å; Y4-F177 HydrophobicContact CE2-CD1 3.71Å; Y4-F177 HydrophobicContact CE2-CE1 4.22Å; Y4-F177 HydrophobicContact CE2-CG 4.35Å; Y4-V180 HydrophobicContact CD1-CG1 3.53Å; Y4-V180 HydrophobicContact CD2-CB 4.36Å; Y4-V180 HydrophobicContact CD2-CG1 3.97Å; Y4-V180 HydrophobicContact CD2-CG2 4.27Å; Y4-V180 HydrophobicContact CE1-CG1 3.49Å; Y4-V180 VanDerWaalsContact CE1-CG1 3.49Å; Y4-V180 HydrophobicContact CE2-CB 4.39Å; Y4-V180 HydrophobicContact CE2-CG1 3.94Å; Y4-V180 HydrophobicContact CG-CB 4.48Å; Y4-V180 HydrophobicContact CG-CG1 3.75Å; Y4-V180 HydrophobicContact CG-CG2 4.27Å |
| 5 | T | 96.6 | Very high | 96 | Very high | 39 Ų | 39 | 61.6 Ų | 61.6 | 24% | 0.239 | 30% | 0.299 | C | S | . | . | trans | -80.9 | 8.3 | -177.8 | 56.7 | 0 | 0 | 0 | 0 | 114.9 | D3 T21 K35 A37 | D3-T5 VanDerWaalsContact OD1-CG2 3.24Å; D3-T5 WeakPolarHBondContact OD1-CG2 3.45Å; T5-T21 HydrophobicContact CG2-CG2 3.5Å; T5-K35 HydrophobicContact CG2-CD 4.09Å; T5-K35 HydrophobicContact CG2-CG 4.08Å; T5-A37 WeakPolarHBondContact O-CB 3.34Å | ||
| 6 | K | 98.4 | Very high | 96.2 | Very high | 81 Ų | 81 | 58 Ų | 58 | 35% | 0.352 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 151.6 | 176.7 | -68.1 | -175.6 | 172.1 | -171.2 | 0 | 111.4 | Y4 W13 V14 E15 | Y4-K6 PolarHBondContact O-N 3.39Å; K6-W13 HydrophobicContact CB-CB 4.31Å; K6-W13 HydrophobicContact CB-CE3 4.15Å; K6-W13 HydrophobicContact CD-CB 3.93Å; K6-V14 CarbonylContact C-O 3.54Å; K6-V14 VanDerWaalsContact CA-O 3.28Å; K6-V14 WeakPolarHBondContact CA-O 3.45Å; K6-V14 WeakPolarHBondContact CB-O 3.26Å; K6-E15 WeakPolarHBondContact CE-OE1 3.27Å; K6-E15 IonicContact NZ-OE1 3.75Å |
| 7 | Q | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 157 | 167.4 | -52.4 | -63.3 | 5.6 | 0 | 0 | 109.4 | I9 W13 V14 A37 G39 D43 L198 N200 | Q7-I9 HydrophobicContact CB-CD1 4Å; Q7-I9 HydrophobicContact CB-CG1 4.1Å; Q7-W13 CarbonylContact O-C 3.34Å; Q7-W13 WeakPolarHBondContact O-CA 3.48Å; Q7-V14 HydrophobicContact CB-CG2 4.23Å; Q7-V14 PolarHBondContact N-O 3.19Å; Q7-V14 PolarHBondContact O-N 2.76Å; Q7-A37 HydrophobicContact CG-CB 4.37Å; Q7-A37 VanDerWaalsContact NE2-CB 3.27Å; Q7-G39 VanDerWaalsContact NE2-CA 3.32Å; Q7-D43 HydrophobicContact CG-CB 4.5Å; Q7-L198 PolarHBondContact OE1-O 2.81Å; Q7-N200 PolarHBondContact NE2-O 3.15Å |
| 8 | Y | 98.9 | Very high | 96.2 | Very high | 7 Ų | 7 | 56.2 Ų | 56.2 | 3% | 0.027 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 105.2 | 171.1 | -170.7 | -97.7 | 0 | 0 | 0 | 108.6 | G11 E12 W13 A183 D187 F196 N197 L198 | Y8-G11 WeakPolarHBondContact OH-CA 3.32Å; Y8-E12 WeakPolarHBondContact CA-O 3.39Å; Y8-W13 AromaticContact CD2-CD2 3.73Å; Y8-W13 HydrophobicContact CD2-CD2 3.73Å; Y8-W13 AromaticContact CD2-CE2 3.53Å; Y8-W13 HydrophobicContact CD2-CE3 4.21Å; Y8-W13 HydrophobicContact CD2-CG 4.08Å; Y8-W13 HydrophobicContact CD2-CH2 4.33Å; Y8-W13 AromaticContact CD2-CZ2 3.86Å; Y8-W13 HydrophobicContact CD2-CZ2 3.86Å; Y8-W13 HydrophobicContact CD2-CZ3 4.49Å; Y8-W13 AromaticContact CD2-NE1 3.73Å; Y8-W13 AromaticContact CE2-NE1 3.91Å; Y8-W13 HydrophobicContact CG-CZ2 4.48Å; Y8-A183 HydrophobicContact CD1-CB 4.47Å; Y8-A183 HydrophobicContact CG-CB 4.2Å; Y8-D187 HydrophobicContact CE2-CB 3.94Å; Y8-D187 WeakPolarHBondContact CE2-OD1 2.91Å; Y8-D187 WeakPolarHBondContact OH-CA 3.5Å; Y8-D187 WeakPolarHBondContact OH-CB 3.43Å; Y8-D187 PolarHBondContact OH-OD1 2.93Å; Y8-F196 AromaticContact CD1-CD1 3.7Å; Y8-F196 HydrophobicContact CD1-CD1 3.7Å; Y8-F196 AromaticContact CD1-CE1 3.91Å; Y8-F196 HydrophobicContact CD1-CE1 3.91Å; Y8-F196 AromaticContact CE1-CD1 3.91Å; Y8-F196 HydrophobicContact CE1-CD1 3.91Å; Y8-F196 HydrophobicContact CE1-CE1 4.46Å; Y8-N197 CarbonylContact O-C 3.13Å; Y8-N197 VanDerWaalsContact O-CA 3.28Å; Y8-N197 WeakPolarHBondContact O-CA 3.47Å; Y8-L198 PolarHBondContact N-O 2.68Å; Y8-L198 VanDerWaalsContact N-O 3.12Å; Y8-L198 PolarHBondContact O-N 3.16Å |
| 9 | I | 98.9 | Very high | 96 | Very high | 12 Ų | 12 | 60.2 Ų | 60.2 | 6% | 0.062 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 132.2 | -174.5 | -63.2 | 176.9 | 0 | 0 | 0 | 108.4 | Q7 G11 E12 V14 K46 A47 A50 V199 | Q7-I9 HydrophobicContact CB-CD1 4Å; Q7-I9 HydrophobicContact CB-CG1 4.1Å; I9-G11 PolarHBondContact O-N 3.13Å; I9-E12 PolarHBondContact N-O 2.7Å; I9-E12 PolarHBondContact O-N 3.22Å; I9-V14 HydrophobicContact CB-CG2 4.04Å; I9-V14 HydrophobicContact CD1-CG2 4.07Å; I9-V14 HydrophobicContact CG1-CG2 4.21Å; I9-K46 HydrophobicContact CD1-CB 4.27Å; I9-K46 HydrophobicContact CG2-CB 4.32Å; I9-A47 HydrophobicContact CD1-CB 4.16Å; I9-A47 HydrophobicContact CG1-CB 4.12Å; I9-A50 HydrophobicContact CG2-CB 4.33Å; I9-V199 HydrophobicContact CD1-CG2 4.46Å |
| 10 | N | 98.7 | Very high | 96.1 | Very high | 65 Ų | 65 | 62.2 Ų | 62.2 | 35% | 0.348 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 37.2 | 177.6 | -158.7 | 23.3 | 0 | 0 | 0 | 114.3 | E12 A50 K193 G194 N197 | N10-E12 VanDerWaalsContact C-N 3.34Å; N10-A50 HydrophobicContact CB-CB 3.72Å; N10-K193 WeakPolarHBondContact O-CD 3.13Å; N10-K193 WeakPolarHBondContact OD1-CB 3.3Å; N10-G194 PolarHBondContact OD1-N 2.69Å; N10-N197 PolarHBondContact N-OD1 3.14Å |
| 11 | G | 98.5 | Very high | 96.2 | Very high | 13 Ų | 13 | 62.3 Ų | 62.3 | 13% | 0.134 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76 | 17.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y8 I9 | Y8-G11 WeakPolarHBondContact OH-CA 3.32Å; I9-G11 PolarHBondContact O-N 3.13Å |
| 12 | E | 98.7 | Very high | 97.4 | Very high | 105 Ų | 105 | 55.5 Ų | 55.5 | 49% | 0.491 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 143.8 | -177.4 | -65.1 | 179 | -169.7 | 0 | 0 | 111.8 | Y8 I9 N10 V14 K193 | Y8-E12 WeakPolarHBondContact CA-O 3.39Å; I9-E12 PolarHBondContact N-O 2.7Å; I9-E12 PolarHBondContact O-N 3.22Å; N10-E12 VanDerWaalsContact C-N 3.34Å; E12-V14 HydrophobicContact CB-CG1 4.2Å; E12-V14 PolarHBondContact O-N 3.46Å; E12-K193 IonicContact OE1-NZ 2.84Å; E12-K193 PolarHBondContact OE1-NZ 3.5Å |
| 13 | W | 98.6 | Very high | 97.7 | Very high | 75 Ų | 75 | 58.9 Ų | 58.9 | 28% | 0.284 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 106.5 | 171.3 | -67.9 | 101.4 | 0 | 0 | 0 | 110.5 | K6 Q7 Y8 V180 A183 E184 | K6-W13 HydrophobicContact CB-CB 4.31Å; K6-W13 HydrophobicContact CB-CE3 4.15Å; K6-W13 HydrophobicContact CD-CB 3.93Å; Q7-W13 CarbonylContact O-C 3.34Å; Q7-W13 WeakPolarHBondContact O-CA 3.48Å; Y8-W13 AromaticContact CD2-CD2 3.73Å; Y8-W13 HydrophobicContact CD2-CD2 3.73Å; Y8-W13 AromaticContact CD2-CE2 3.53Å; Y8-W13 HydrophobicContact CD2-CE3 4.21Å; Y8-W13 HydrophobicContact CD2-CG 4.08Å; Y8-W13 HydrophobicContact CD2-CH2 4.33Å; Y8-W13 AromaticContact CD2-CZ2 3.86Å; Y8-W13 HydrophobicContact CD2-CZ2 3.86Å; Y8-W13 HydrophobicContact CD2-CZ3 4.49Å; Y8-W13 AromaticContact CD2-NE1 3.73Å; Y8-W13 AromaticContact CE2-NE1 3.91Å; Y8-W13 HydrophobicContact CG-CZ2 4.48Å; W13-V180 HydrophobicContact CH2-CG1 3.87Å; W13-V180 HydrophobicContact CZ3-CG1 4.49Å; W13-A183 HydrophobicContact CH2-CB 3.66Å; W13-A183 HydrophobicContact CZ2-CB 3.87Å; W13-E184 HydrophobicContact CZ2-CG 3.96Å |
| 14 | V | 98.4 | Very high | 97.9 | Very high | 45 Ų | 45 | 54.5 Ų | 54.5 | 27% | 0.273 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 149.7 | -173.7 | -59.5 | 0 | 0 | 0 | 0 | 112.3 | K6 Q7 I9 E12 | K6-V14 CarbonylContact C-O 3.54Å; K6-V14 VanDerWaalsContact CA-O 3.28Å; K6-V14 WeakPolarHBondContact CA-O 3.45Å; K6-V14 WeakPolarHBondContact CB-O 3.26Å; Q7-V14 HydrophobicContact CB-CG2 4.23Å; Q7-V14 PolarHBondContact N-O 3.19Å; Q7-V14 PolarHBondContact O-N 2.76Å; I9-V14 HydrophobicContact CB-CG2 4.04Å; I9-V14 HydrophobicContact CD1-CG2 4.07Å; I9-V14 HydrophobicContact CG1-CG2 4.21Å; E12-V14 HydrophobicContact CB-CG1 4.2Å; E12-V14 PolarHBondContact O-N 3.46Å |
| 15 | E | 98 | Very high | 97.9 | Very high | 106 Ų | 106 | 54.7 Ų | 54.7 | 50% | 0.495 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 138.5 | 173.9 | -63 | -58.8 | 153.4 | 0 | 0 | 110.9 | K6 | K6-E15 WeakPolarHBondContact CE-OE1 3.27Å; K6-E15 IonicContact NZ-OE1 3.75Å |
| 16 | S | 97.9 | Very high | 98 | Very high | 4 Ų | 4 | 53.6 Ų | 53.6 | 3% | 0.028 | 27% | 0.271 | C | S | . | . | trans | -66 | 133.4 | 174 | -172.1 | 0 | 0 | 0 | 0 | 110.3 | S18 N19 D43 | S16-S18 PolarHBondContact O-N 3.15Å; S16-S18 VanDerWaalsContact O-N 3.14Å; S16-S18 PolarHBondContact OG-OG 3.31Å; S16-N19 PolarHBondContact O-N 3.26Å; S16-D43 PolarHBondContact OG-OD2 2.93Å | ||
| 17 | N | 97 | Very high | 98 | Very high | 63 Ų | 63 | 49.8 Ų | 49.8 | 34% | 0.337 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -24.4 | 178.7 | -74.6 | -90.1 | 0 | 0 | 0 | 112.4 | A42 D43 K46 | N17-A42 HydrophobicContact CB-CB 3.96Å; N17-D43 WeakPolarHBondContact CB-OD1 3.47Å; N17-D43 PolarHBondContact N-OD1 3.32Å; N17-D43 PolarHBondContact ND2-OD1 2.68Å; N17-K46 PolarHBondContact ND2-NZ 3.01Å; N17-K46 PolarHBondContact OD1-NZ 2.91Å |
| 18 | S | 95.4 | Very high | 98 | Very high | 20 Ų | 20 | 50.2 Ų | 50.2 | 14% | 0.14 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -29.3 | 175.6 | 60.9 | 0 | 0 | 0 | 0 | 113.7 | S16 E20 K38 N40 | S16-S18 PolarHBondContact O-N 3.15Å; S16-S18 VanDerWaalsContact O-N 3.14Å; S16-S18 PolarHBondContact OG-OG 3.31Å; S18-E20 PolarHBondContact O-N 3.31Å; S18-E20 VanDerWaalsContact O-N 3.11Å; S18-E20 PolarHBondContact OG-N 3.21Å; S18-K38 VanDerWaalsContact CB-O 3.25Å; S18-K38 WeakPolarHBondContact CB-O 3.23Å; S18-K38 PolarHBondContact OG-O 3.19Å; S18-N40 PolarHBondContact N-ND2 3.18Å |
| 19 | N | 92.9 | Very high | 98 | Very high | 133 Ų | 133 | 51.7 Ų | 51.7 | 71% | 0.711 | 27% | 0.267 | S | S | * | . | trans | 52.4 | 16.2 | -163.1 | -55.5 | -70.3 | 0 | 0 | 0 | 114.5 | S16 | S16-N19 PolarHBondContact O-N 3.26Š| ||
| 20 | E | 98.2 | Very high | 98 | Very high | 100 Ų | 100 | 54.8 Ų | 54.8 | 47% | 0.467 | 28% | 0.282 | S | S | . | . | trans | -96.5 | 158.8 | 176.9 | -70.6 | 179.5 | 83.9 | 0 | 0 | 110.7 | S18 K38 | S18-E20 PolarHBondContact O-N 3.31Å; S18-E20 VanDerWaalsContact O-N 3.11Å; S18-E20 PolarHBondContact OG-N 3.21Å; E20-K38 HydrophobicContact CB-CB 3.77Å; E20-K38 HydrophobicContact CB-CD 4.06Å; E20-K38 HydrophobicContact CB-CG 4.39Å; E20-K38 PolarHBondContact O-N 2.91Å; E20-K38 IonicContact OE1-NZ 2.73Å; E20-K38 PolarHBondContact OE1-NZ 3.12Å | ||
| 21 | T | 98.5 | Very high | 97.9 | Very high | 65 Ų | 65 | 56.7 Ų | 56.7 | 40% | 0.399 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 154.8 | 179.8 | 63.1 | 0 | 0 | 0 | 0 | 112 | T5 K35 V36 | T5-T21 HydrophobicContact CG2-CG2 3.5Å; T21-K35 HydrophobicContact CG2-CD 4.39Å; T21-V36 CarbonylContact C-O 3.59Å; T21-V36 WeakPolarHBondContact CA-O 3.28Å; T21-V36 WeakPolarHBondContact CB-O 3.29Å |
| 22 | I | 98.6 | Very high | 98 | Very high | 32 Ų | 32 | 58.2 Ų | 58.2 | 16% | 0.164 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 130.7 | 169.2 | -53.3 | 178.1 | 0 | 0 | 0 | 108.2 | K35 V36 K38 E173 D202 | I22-K35 CarbonylContact O-C 3.57Å; I22-K35 WeakPolarHBondContact O-CA 3.46Å; I22-K35 WeakPolarHBondContact O-CB 3.4Å; I22-V36 HydrophobicContact CB-CG2 4.13Å; I22-V36 PolarHBondContact N-O 3.22Å; I22-V36 PolarHBondContact O-N 3.29Å; I22-K38 HydrophobicContact CD1-CB 4.29Å; I22-K38 HydrophobicContact CD1-CG 4.01Å; I22-K38 HydrophobicContact CG1-CB 3.71Å; I22-K38 HydrophobicContact CG1-CD 4.12Å; I22-K38 HydrophobicContact CG1-CG 3.77Å; I22-E173 HydrophobicContact CD1-CB 3.71Å; I22-E173 HydrophobicContact CD1-CG 4.34Å; I22-E173 HydrophobicContact CG2-CB 4.26Å; I22-D202 HydrophobicContact CD1-CB 4.48Å |
| 23 | E | 98.6 | Very high | 97.9 | Very high | 127 Ų | 127 | 54.6 Ų | 54.6 | 59% | 0.593 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 136.5 | 171.4 | -66.2 | -176.9 | 152.3 | 0 | 0 | 110.7 | I25 V32 | E23-I25 HydrophobicContact CB-CD1 4.42Å; E23-V32 HydrophobicContact CB-CG1 4.15Å; E23-V32 HydrophobicContact CB-CG2 4.28Å; E23-V32 HydrophobicContact CG-CG1 4.22Å; E23-V32 HydrophobicContact CG-CG2 4.38Å |
| 24 | V | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 123.8 | 174 | -174.1 | 0 | 0 | 0 | 0 | 107.9 | I33 G34 V36 E91 P176 F177 | V24-I33 HydrophobicContact CB-CG1 4.39Å; V24-I33 HydrophobicContact CG1-CD1 4.2Å; V24-I33 HydrophobicContact CG1-CG1 4.18Å; V24-I33 VanDerWaalsContact O-CG1 3.25Å; V24-I33 WeakPolarHBondContact O-CG1 3.45Å; V24-I33 PolarHBondContact O-N 3.2Å; V24-G34 PolarHBondContact N-O 3.21Å; V24-V36 HydrophobicContact CG2-CG1 4.29Å; V24-V36 HydrophobicContact CG2-CG2 4.48Å; V24-E91 HydrophobicContact CG1-CB 4.17Å; V24-P176 HydrophobicContact CG2-CG 3.53Å; V24-F177 HydrophobicContact CB-CE1 4.27Å; V24-F177 HydrophobicContact CB-CE2 4.13Å; V24-F177 HydrophobicContact CB-CZ 3.61Å; V24-F177 HydrophobicContact CG1-CE2 3.78Å; V24-F177 HydrophobicContact CG1-CZ 3.78Å; V24-F177 HydrophobicContact CG2-CE1 3.85Å; V24-F177 HydrophobicContact CG2-CZ 3.72Å |
| 25 | I | 98.6 | Very high | 97.9 | Very high | 56 Ų | 56 | 52.3 Ų | 52.3 | 29% | 0.287 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 136.1 | -174.6 | -55.3 | -56.8 | 0 | 0 | 0 | 109.5 | E23 P27 E31 V32 | E23-I25 HydrophobicContact CB-CD1 4.42Å; I25-P27 WeakPolarHBondContact O-CD 3.49Å; I25-E31 WeakPolarHBondContact CA-O 3.41Å; I25-V32 HydrophobicContact CD1-CB 4.29Å; I25-V32 HydrophobicContact CD1-CG2 3.58Å |
| 26 | N | 98.7 | Very high | 97.9 | Very high | 16 Ų | 16 | 47.3 Ų | 47.3 | 9% | 0.086 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 117.3 | 166.6 | -179.6 | -44.3 | 0 | 0 | 0 | 109.4 | A28 T29 E30 E31 I33 D90 | N26-A28 PolarHBondContact O-N 3.46Å; N26-A28 WeakPolarHBondContact OD1-CA 3.47Å; N26-A28 VanDerWaalsContact OD1-CB 3.28Å; N26-A28 WeakPolarHBondContact OD1-CB 3.44Å; N26-A28 PolarHBondContact OD1-N 3.36Å; N26-T29 PolarHBondContact O-N 3.43Å; N26-T29 PolarHBondContact OD1-N 3.06Å; N26-E30 WeakPolarHBondContact O-CA 3.48Å; N26-E30 PolarHBondContact O-N 2.99Å; N26-E31 PolarHBondContact N-O 3.13Å; N26-I33 HydrophobicContact CB-CD1 4.15Å; N26-I33 HydrophobicContact CB-CG1 4.39Å; N26-I33 HydrophobicContact CB-CG2 3.55Å; N26-D90 WeakPolarHBondContact CA-O 3.45Å; N26-D90 WeakPolarHBondContact CB-O 3.33Å; N26-D90 VanDerWaalsContact CG-O 3.23Å; N26-D90 PolarHBondContact ND2-O 3Å |
| 27 | P | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -18.2 | -175.5 | 23.9 | -32.8 | 0 | 0 | 0 | 114.7 | I25 E91 P320 I321 I322 G358 Y359 | I25-P27 WeakPolarHBondContact O-CD 3.49Å; P27-E91 WeakPolarHBondContact CD-O 3.29Å; P27-P320 HydrophobicContact CB-CB 4.02Å; P27-P320 HydrophobicContact CB-CG 3.62Å; P27-P320 HydrophobicContact CG-CG 3.68Å; P27-P320 WeakPolarHBondContact O-CB 3.2Å; P27-I321 VanDerWaalsContact CB-O 3.27Å; P27-I321 WeakPolarHBondContact CB-O 3.23Å; P27-I322 WeakPolarHBondContact CB-O 3.4Å; P27-G358 CarbonylContact O-C 3.52Å; P27-G358 WeakPolarHBondContact O-CA 3.35Å; P27-Y359 HydrophobicContact CB-CD2 3.89Å; P27-Y359 HydrophobicContact CB-CE2 4.46Å; P27-Y359 PolarHBondContact O-N 2.98Å |
| 28 | A | 98.6 | Very high | 98 | Very high | 10 Ų | 10 | 47 Ų | 47 | 8% | 0.083 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -28.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | N26 P311 P320 G358 F360 | N26-A28 PolarHBondContact O-N 3.46Å; N26-A28 WeakPolarHBondContact OD1-CA 3.47Å; N26-A28 VanDerWaalsContact OD1-CB 3.28Å; N26-A28 WeakPolarHBondContact OD1-CB 3.44Å; N26-A28 PolarHBondContact OD1-N 3.36Å; A28-P311 HydrophobicContact CB-CG 4Å; A28-P320 HydrophobicContact CB-CG 3.96Å; A28-G358 VanDerWaalsContact O-CA 3.31Å; A28-G358 WeakPolarHBondContact O-CA 3.27Å; A28-F360 HydrophobicContact CB-CE2 4.47Å; A28-F360 HydrophobicContact CB-CZ 3.77Å |
| 29 | T | 98.1 | Very high | 98.2 | Very high | 37 Ų | 37 | 46.1 Ų | 46.1 | 23% | 0.227 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | -10.2 | -177 | 68.9 | 0 | 0 | 0 | 0 | 113.9 | N26 E31 K357 | N26-T29 PolarHBondContact O-N 3.43Å; N26-T29 PolarHBondContact OD1-N 3.06Å; T29-E31 PolarHBondContact O-N 2.95Å; T29-E31 WeakPolarHBondContact OG1-CB 3.42Å; T29-E31 PolarHBondContact OG1-N 3.21Å; T29-K357 WeakPolarHBondContact O-CD 3.38Å; T29-K357 WeakPolarHBondContact O-CE 3.39Å; T29-K357 PolarHBondContact O-NZ 2.89Å |
| 30 | E | 98.2 | Very high | 98.5 | Very high | 78 Ų | 78 | 42 Ų | 42 | 36% | 0.364 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61 | 16.1 | -174.8 | -49 | 179.7 | -165 | 0 | 0 | 113.6 | N26 K351 K357 G358 Y359 | N26-E30 WeakPolarHBondContact O-CA 3.48Å; N26-E30 PolarHBondContact O-N 2.99Å; E30-K351 IonicContact OE1-NZ 2.7Å; E30-K357 HydrophobicContact CG-CG 4.44Å; E30-G358 WeakPolarHBondContact OE1-CA 3.47Å; E30-G358 PolarHBondContact OE1-N 3.39Å; E30-Y359 HydrophobicContact CG-CE1 3.92Å; E30-Y359 HydrophobicContact CG-CE2 4.5Å |
| 31 | E | 98.2 | Very high | 98.5 | Very high | 104 Ų | 104 | 42.5 Ų | 42.5 | 49% | 0.486 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 147.9 | -178.3 | -70.9 | 167.4 | -171.6 | 0 | 0 | 111.8 | I25 N26 T29 I33 K357 | I25-E31 WeakPolarHBondContact CA-O 3.41Å; N26-E31 PolarHBondContact N-O 3.13Å; T29-E31 PolarHBondContact O-N 2.95Å; T29-E31 WeakPolarHBondContact OG1-CB 3.42Å; T29-E31 PolarHBondContact OG1-N 3.21Å; E31-I33 PolarHBondContact O-N 2.92Å; E31-K357 IonicContact OE1-NZ 3.42Å; E31-K357 PolarHBondContact OE1-NZ 2.96Å |
| 32 | V | 98.5 | Very high | 98.5 | Very high | 45 Ų | 45 | 41.2 Ų | 41.2 | 27% | 0.273 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 119.3 | 170.1 | -178.2 | 0 | 0 | 0 | 0 | 109 | M1 E23 I25 G34 | M1-V32 HydrophobicContact CE-CG1 4.34Å; M1-V32 WeakPolarHBondContact CE-O 3.44Å; M1-V32 HydrophobicContact SD-CG1 4.25Å; E23-V32 HydrophobicContact CB-CG1 4.15Å; E23-V32 HydrophobicContact CB-CG2 4.28Å; E23-V32 HydrophobicContact CG-CG1 4.22Å; E23-V32 HydrophobicContact CG-CG2 4.38Å; I25-V32 HydrophobicContact CD1-CB 4.29Å; I25-V32 HydrophobicContact CD1-CG2 3.58Å; V32-G34 WeakPolarHBondContact CG1-O 3.33Å |
| 33 | I | 98 | Very high | 98.5 | Very high | 29 Ų | 29 | 39.7 Ų | 39.7 | 15% | 0.149 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | -13.9 | 177.9 | 51.9 | 168.3 | 0 | 0 | 0 | 113.2 | M1 R2 V24 N26 E31 D90 E91 F177 | M1-I33 CarbonylContact C-O 3.54Å; M1-I33 VanDerWaalsContact CA-O 3.26Å; M1-I33 WeakPolarHBondContact CA-O 3.34Å; M1-I33 VanDerWaalsContact CG-O 3.31Å; M1-I33 WeakPolarHBondContact CG-O 3.4Å; R2-I33 PolarHBondContact N-O 3.26Å; V24-I33 HydrophobicContact CB-CG1 4.39Å; V24-I33 HydrophobicContact CG1-CD1 4.2Å; V24-I33 HydrophobicContact CG1-CG1 4.18Å; V24-I33 VanDerWaalsContact O-CG1 3.25Å; V24-I33 WeakPolarHBondContact O-CG1 3.45Å; V24-I33 PolarHBondContact O-N 3.2Å; N26-I33 HydrophobicContact CB-CD1 4.15Å; N26-I33 HydrophobicContact CB-CG1 4.39Å; N26-I33 HydrophobicContact CB-CG2 3.55Å; E31-I33 PolarHBondContact O-N 2.92Å; I33-D90 HydrophobicContact CD1-CB 3.67Å; I33-D90 WeakPolarHBondContact CD1-O 3.38Å; I33-E91 HydrophobicContact CD1-CB 4.25Å; I33-F177 HydrophobicContact CD1-CE2 3.75Å; I33-F177 HydrophobicContact CG1-CE2 4.02Å; I33-F177 HydrophobicContact CG1-CZ 4.48Å |
| 34 | G | 98.3 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.7 | -173.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R2 V24 V32 | R2-G34 CarbonylContact O-C 3.54Å; R2-G34 WeakPolarHBondContact O-CA 3.44Å; V24-G34 PolarHBondContact N-O 3.21Å; V32-G34 WeakPolarHBondContact CG1-O 3.33Å |
| 35 | K | 98.4 | Very high | 98.6 | Very high | 73 Ų | 73 | 36 Ų | 36 | 32% | 0.317 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 152.3 | 174.6 | 63.4 | -175.5 | -179.4 | -179.4 | 0 | 110.5 | R2 D3 Y4 T5 T21 I22 | R2-K35 PolarHBondContact O-N 2.73Å; D3-K35 WeakPolarHBondContact OD1-CE 2.92Å; D3-K35 IonicContact OD1-NZ 2.75Å; D3-K35 VanDerWaalsContact OD2-CE 3.24Å; D3-K35 WeakPolarHBondContact OD2-CE 3.32Å; D3-K35 IonicContact OD2-NZ 3.14Å; D3-K35 PolarHBondContact OD2-NZ 3.27Å; Y4-K35 PolarHBondContact N-O 3.28Å; T5-K35 HydrophobicContact CG2-CD 4.09Å; T5-K35 HydrophobicContact CG2-CG 4.08Å; T21-K35 HydrophobicContact CG2-CD 4.39Å; I22-K35 CarbonylContact O-C 3.57Å; I22-K35 WeakPolarHBondContact O-CA 3.46Å; I22-K35 WeakPolarHBondContact O-CB 3.4Å |
| 36 | V | 98.5 | Very high | 98.6 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 160.1 | 174 | -63.7 | 0 | 0 | 0 | 0 | 111.3 | Y4 T21 I22 V24 K38 P176 F177 N200 | Y4-V36 CarbonylContact O-C 3.56Å; Y4-V36 VanDerWaalsContact O-CA 3.27Å; Y4-V36 WeakPolarHBondContact O-CA 3.41Å; T21-V36 CarbonylContact C-O 3.59Å; T21-V36 WeakPolarHBondContact CA-O 3.28Å; T21-V36 WeakPolarHBondContact CB-O 3.29Å; I22-V36 HydrophobicContact CB-CG2 4.13Å; I22-V36 PolarHBondContact N-O 3.22Å; I22-V36 PolarHBondContact O-N 3.29Å; V24-V36 HydrophobicContact CG2-CG1 4.29Å; V24-V36 HydrophobicContact CG2-CG2 4.48Å; V36-K38 PolarHBondContact O-N 2.99Å; V36-P176 HydrophobicContact CB-CG 4.32Å; V36-P176 HydrophobicContact CG1-CB 3.76Å; V36-P176 HydrophobicContact CG1-CG 3.39Å; V36-P176 HydrophobicContact CG2-CB 4.27Å; V36-P176 HydrophobicContact CG2-CG 4Å; V36-F177 HydrophobicContact CG1-CD1 4.39Å; V36-F177 HydrophobicContact CG1-CE1 4.12Å; V36-N200 HydrophobicContact CB-CB 4.24Å; V36-N200 HydrophobicContact CG2-CB 4.34Å |
| 37 | A | 98.5 | Very high | 98.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 135.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y4 T5 Q7 G39 N200 | Y4-A37 PolarHBondContact O-N 2.91Å; T5-A37 WeakPolarHBondContact O-CB 3.34Å; Q7-A37 HydrophobicContact CG-CB 4.37Å; Q7-A37 VanDerWaalsContact NE2-CB 3.27Å; A37-G39 PolarHBondContact O-N 3.41Å; A37-N200 CarbonylContact O-C 3.59Å; A37-N200 VanDerWaalsContact O-CB 3.31Å; A37-N200 WeakPolarHBondContact O-CB 3.47Å |
| 38 | K | 98.7 | Very high | 98.6 | Very high | 59 Ų | 59 | 37.6 Ų | 37.6 | 26% | 0.257 | 19% | 0.189 | S | C | . | . | trans | -94.7 | 80.3 | 168.6 | -171.4 | 179.5 | 175.3 | -164.8 | 0 | 108.8 | S18 E20 I22 V36 D202 | S18-K38 VanDerWaalsContact CB-O 3.25Å; S18-K38 WeakPolarHBondContact CB-O 3.23Å; S18-K38 PolarHBondContact OG-O 3.19Å; E20-K38 HydrophobicContact CB-CB 3.77Å; E20-K38 HydrophobicContact CB-CD 4.06Å; E20-K38 HydrophobicContact CB-CG 4.39Å; E20-K38 PolarHBondContact O-N 2.91Å; E20-K38 IonicContact OE1-NZ 2.73Å; E20-K38 PolarHBondContact OE1-NZ 3.12Å; I22-K38 HydrophobicContact CD1-CB 4.29Å; I22-K38 HydrophobicContact CD1-CG 4.01Å; I22-K38 HydrophobicContact CG1-CB 3.71Å; I22-K38 HydrophobicContact CG1-CD 4.12Å; I22-K38 HydrophobicContact CG1-CG 3.77Å; V36-K38 PolarHBondContact O-N 2.99Å; K38-D202 VanDerWaalsContact CE-OD2 3.28Å; K38-D202 WeakPolarHBondContact CE-OD2 3.42Å | ||
| 39 | G | 98.7 | Very high | 98.6 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | trans | -59.7 | 158.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q7 A37 D43 N200 V206 | Q7-G39 VanDerWaalsContact NE2-CA 3.32Å; A37-G39 PolarHBondContact O-N 3.41Å; G39-D43 WeakPolarHBondContact CA-OD2 3.35Å; G39-N200 WeakPolarHBondContact CA-O 3.22Å; G39-N200 PolarHBondContact N-O 3.25Å; G39-V206 WeakPolarHBondContact O-CG2 3.48Å | ||
| 40 | N | 98.6 | Very high | 98.6 | Very high | 47 Ų | 47 | 39.3 Ų | 39.3 | 25% | 0.251 | 19% | 0.194 | S | C | . | . | trans | -129.1 | -174.7 | 176.6 | 70.2 | 24.4 | 0 | 0 | 0 | 111.4 | S18 A42 D43 V44 G205 | S18-N40 PolarHBondContact N-ND2 3.18Å; N40-A42 VanDerWaalsContact C-N 3.25Å; N40-A42 PolarHBondContact O-N 3.33Å; N40-A42 WeakPolarHBondContact OD1-CA 3.47Å; N40-A42 WeakPolarHBondContact OD1-CB 3.41Å; N40-A42 PolarHBondContact OD1-N 3.47Å; N40-D43 PolarHBondContact N-OD2 3.29Å; N40-D43 WeakPolarHBondContact O-CB 3.48Å; N40-D43 PolarHBondContact O-N 3.06Å; N40-D43 VanDerWaalsContact O-N 3.08Å; N40-D43 PolarHBondContact OD1-N 2.88Å; N40-D43 PolarHBondContact OD1-OD2 3.08Å; N40-V44 PolarHBondContact O-N 3.03Å; N40-G205 CarbonylContact C-O 3.58Å; N40-G205 VanDerWaalsContact CA-O 3.29Å; N40-G205 WeakPolarHBondContact CA-O 3.38Å | ||
| 41 | K | 98.7 | Very high | 98.7 | Very high | 110 Ų | 110 | 35.6 Ų | 35.6 | 48% | 0.478 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -53.1 | -39.3 | 178 | 179.1 | 176.7 | -168.7 | -37.7 | 0 | 113.4 | D43 V44 D45 G205 P209 | K41-D43 VanDerWaalsContact C-N 3.28Å; K41-D43 PolarHBondContact O-N 3.06Å; K41-V44 WeakPolarHBondContact O-CB 3.4Å; K41-V44 PolarHBondContact O-N 2.71Å; K41-D45 IonicContact NZ-OD1 3.64Å; K41-D45 PolarHBondContact NZ-OD1 3.39Å; K41-D45 IonicContact NZ-OD2 3.29Å; K41-D45 PolarHBondContact NZ-OD2 2.86Å; K41-D45 PolarHBondContact O-N 2.84Å; K41-G205 PolarHBondContact N-O 3.16Å; K41-P209 HydrophobicContact CB-CB 4.06Å; K41-P209 HydrophobicContact CB-CG 3.87Å; K41-P209 HydrophobicContact CG-CB 3.98Å; K41-P209 HydrophobicContact CG-CG 4.26Å |
| 42 | A | 98.8 | Very high | 98.7 | Very high | 38 Ų | 38 | 32.3 Ų | 32.3 | 31% | 0.314 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -69.5 | -27.4 | -178 | 0 | 0 | 0 | 0 | 0 | 112.6 | N17 N40 K46 | N17-A42 HydrophobicContact CB-CB 3.96Å; N40-A42 VanDerWaalsContact C-N 3.25Å; N40-A42 PolarHBondContact O-N 3.33Å; N40-A42 WeakPolarHBondContact OD1-CA 3.47Å; N40-A42 WeakPolarHBondContact OD1-CB 3.41Å; N40-A42 PolarHBondContact OD1-N 3.47Å; A42-K46 WeakPolarHBondContact O-CG 3.4Å; A42-K46 PolarHBondContact O-N 2.92Å |
| 43 | D | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -71.1 | -43.2 | 170.8 | -56.4 | -56.7 | 0 | 0 | 0 | 110.9 | Q7 S16 N17 G39 N40 K41 K46 A47 V199 | Q7-D43 HydrophobicContact CG-CB 4.5Å; S16-D43 PolarHBondContact OG-OD2 2.93Å; N17-D43 WeakPolarHBondContact CB-OD1 3.47Å; N17-D43 PolarHBondContact N-OD1 3.32Å; N17-D43 PolarHBondContact ND2-OD1 2.68Å; G39-D43 WeakPolarHBondContact CA-OD2 3.35Å; N40-D43 PolarHBondContact N-OD2 3.29Å; N40-D43 WeakPolarHBondContact O-CB 3.48Å; N40-D43 PolarHBondContact O-N 3.06Å; N40-D43 VanDerWaalsContact O-N 3.08Å; N40-D43 PolarHBondContact OD1-N 2.88Å; N40-D43 PolarHBondContact OD1-OD2 3.08Å; K41-D43 VanDerWaalsContact C-N 3.28Å; K41-D43 PolarHBondContact O-N 3.06Å; D43-K46 PolarHBondContact O-N 3.23Å; D43-A47 WeakPolarHBondContact O-CB 3.13Å; D43-A47 PolarHBondContact O-N 2.93Å; D43-V199 HydrophobicContact CB-CG1 3.84Å |
| 44 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.7 | -46.8 | 174.7 | 175.5 | 0 | 0 | 0 | 0 | 111.3 | N40 K41 K46 A47 V48 V199 V206 P209 L210 | N40-V44 PolarHBondContact O-N 3.03Å; K41-V44 WeakPolarHBondContact O-CB 3.4Å; K41-V44 PolarHBondContact O-N 2.71Å; V44-K46 VanDerWaalsContact C-N 3.31Å; V44-K46 PolarHBondContact O-N 2.86Å; V44-A47 PolarHBondContact O-N 2.74Å; V44-V48 HydrophobicContact CG1-CG2 4.06Å; V44-V48 WeakPolarHBondContact O-CG2 3.39Å; V44-V48 PolarHBondContact O-N 2.94Å; V44-V199 HydrophobicContact CG2-CG1 4.24Å; V44-V206 HydrophobicContact CG2-CB 4.23Å; V44-V206 HydrophobicContact CG2-CG1 3.66Å; V44-P209 HydrophobicContact CB-CB 4.28Å; V44-P209 HydrophobicContact CG1-CB 4.23Å; V44-P209 HydrophobicContact CG2-CB 4.29Å; V44-L210 HydrophobicContact CG1-CB 4.04Å; V44-L210 HydrophobicContact CG1-CD1 4.14Å |
| 45 | D | 98.9 | Very high | 98.7 | Very high | 50 Ų | 50 | 37.3 Ų | 37.3 | 27% | 0.267 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.4 | -43.3 | -179.1 | -67.1 | -13.9 | 0 | 0 | 0 | 111 | K41 E49 H213 | K41-D45 IonicContact NZ-OD1 3.64Å; K41-D45 PolarHBondContact NZ-OD1 3.39Å; K41-D45 IonicContact NZ-OD2 3.29Å; K41-D45 PolarHBondContact NZ-OD2 2.86Å; K41-D45 PolarHBondContact O-N 2.84Å; D45-E49 WeakPolarHBondContact O-CB 3.17Å; D45-E49 PolarHBondContact O-N 3.28Å; D45-H213 IonicContact OD1-CD2 3.55Å; D45-H213 PolarHBondContact OD1-CD2 2.91Å; D45-H213 IonicContact OD1-NE2 2.77Å |
| 46 | K | 98.9 | Very high | 98.7 | Very high | 106 Ų | 106 | 37.8 Ų | 37.8 | 46% | 0.461 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.3 | -42.9 | 175.7 | -72.6 | 175.6 | -178.8 | 172.7 | 0 | 112.4 | I9 N17 A42 D43 V44 E49 A50 | I9-K46 HydrophobicContact CD1-CB 4.27Å; I9-K46 HydrophobicContact CG2-CB 4.32Å; N17-K46 PolarHBondContact ND2-NZ 3.01Å; N17-K46 PolarHBondContact OD1-NZ 2.91Å; A42-K46 WeakPolarHBondContact O-CG 3.4Å; A42-K46 PolarHBondContact O-N 2.92Å; D43-K46 PolarHBondContact O-N 3.23Å; V44-K46 VanDerWaalsContact C-N 3.31Å; V44-K46 PolarHBondContact O-N 2.86Å; K46-E49 PolarHBondContact O-N 3.31Å; K46-A50 WeakPolarHBondContact O-CB 3.42Å; K46-A50 PolarHBondContact O-N 3.45Å |
| 47 | A | 99 | Very high | 98.7 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.7 | -41.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I9 D43 V44 A51 V168 N197 V199 | I9-A47 HydrophobicContact CD1-CB 4.16Å; I9-A47 HydrophobicContact CG1-CB 4.12Å; D43-A47 WeakPolarHBondContact O-CB 3.13Å; D43-A47 PolarHBondContact O-N 2.93Å; V44-A47 PolarHBondContact O-N 2.74Å; A47-A51 PolarHBondContact O-N 2.76Å; A47-A51 VanDerWaalsContact O-N 3.08Å; A47-V168 HydrophobicContact CB-CG1 3.84Å; A47-V168 HydrophobicContact CB-CG2 3.98Å; A47-N197 HydrophobicContact CB-CB 3.81Å; A47-N197 PolarHBondContact O-ND2 3.24Å; A47-V199 HydrophobicContact CB-CG2 3.57Å |
| 48 | V | 99 | Very high | 98.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.2 | -39.6 | 177.3 | 175.3 | 0 | 0 | 0 | 0 | 111 | V44 A51 D52 V139 V168 L210 H213 K215 V216 | V44-V48 HydrophobicContact CG1-CG2 4.06Å; V44-V48 WeakPolarHBondContact O-CG2 3.39Å; V44-V48 PolarHBondContact O-N 2.94Å; V48-A51 PolarHBondContact O-N 3.06Å; V48-D52 WeakPolarHBondContact O-CB 3.26Å; V48-D52 PolarHBondContact O-N 2.94Å; V48-V139 HydrophobicContact CG1-CG1 4.33Å; V48-V168 HydrophobicContact CG2-CG2 3.91Å; V48-L210 HydrophobicContact CG2-CD1 3.94Å; V48-H213 VanDerWaalsContact CG1-CE1 3.43Å; V48-H213 WeakPolarHBondContact CG1-CE1 3.41Å; V48-H213 VanDerWaalsContact CG1-ND1 3.33Å; V48-H213 WeakPolarHBondContact CG1-ND1 3.43Å; V48-K215 HydrophobicContact CG1-CB 3.74Å; V48-V216 HydrophobicContact CG1-CG2 4.11Å; V48-V216 HydrophobicContact CG2-CG2 3.84Å |
| 49 | E | 98.9 | Very high | 98.7 | Very high | 77 Ų | 77 | 44.4 Ų | 44.4 | 36% | 0.36 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.9 | -46.9 | 175.4 | -163.9 | 65.6 | -165.2 | 0 | 0 | 111.2 | D45 K46 A51 D52 D53 K215 | D45-E49 WeakPolarHBondContact O-CB 3.17Å; D45-E49 PolarHBondContact O-N 3.28Å; K46-E49 PolarHBondContact O-N 3.31Å; E49-A51 VanDerWaalsContact C-N 3.28Å; E49-A51 PolarHBondContact O-N 3.17Å; E49-D52 PolarHBondContact O-N 3.32Å; E49-D52 VanDerWaalsContact O-N 3.14Å; E49-D53 VanDerWaalsContact O-CG 3.32Å; E49-D53 PolarHBondContact O-N 2.88Å; E49-K215 IonicContact OE1-NZ 2.84Å; E49-K215 PolarHBondContact OE1-NZ 2.81Å; E49-K215 WeakPolarHBondContact OE2-CE 3.23Å; E49-K215 IonicContact OE2-NZ 2.71Å; E49-K215 PolarHBondContact OE2-NZ 2.84Å |
| 50 | A | 98.9 | Very high | 98.6 | Very high | 6 Ų | 6 | 50.8 Ų | 50.8 | 5% | 0.05 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.3 | -37.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | I9 N10 K46 G194 | I9-A50 HydrophobicContact CG2-CB 4.33Å; N10-A50 HydrophobicContact CB-CB 3.72Å; K46-A50 WeakPolarHBondContact O-CB 3.42Å; K46-A50 PolarHBondContact O-N 3.45Å; A50-G194 WeakPolarHBondContact O-CA 3.24Å |
| 51 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.6 | -38.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | A47 V48 E49 V54 Y55 V139 P166 V168 G194 | A47-A51 PolarHBondContact O-N 2.76Å; A47-A51 VanDerWaalsContact O-N 3.08Å; V48-A51 PolarHBondContact O-N 3.06Å; E49-A51 VanDerWaalsContact C-N 3.28Å; E49-A51 PolarHBondContact O-N 3.17Å; A51-V54 PolarHBondContact O-N 3.49Å; A51-Y55 PolarHBondContact O-N 2.67Å; A51-V139 HydrophobicContact CB-CB 4.39Å; A51-V139 HydrophobicContact CB-CG1 3.7Å; A51-V139 HydrophobicContact CB-CG2 3.83Å; A51-P166 HydrophobicContact CB-CB 4.05Å; A51-P166 HydrophobicContact CB-CG 4.36Å; A51-P166 VanDerWaalsContact O-CG 3.3Å; A51-P166 WeakPolarHBondContact O-CG 3.33Å; A51-V168 HydrophobicContact CB-CG2 4.33Å; A51-G194 VanDerWaalsContact CA-O 3.31Å; A51-G194 WeakPolarHBondContact CA-O 3.37Å |
| 52 | D | 98.8 | Very high | 98.5 | Very high | 35 Ų | 35 | 47.5 Ų | 47.5 | 19% | 0.187 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.6 | -39.5 | 178.7 | -169.9 | 60.3 | 0 | 0 | 0 | 111.4 | V48 E49 V54 Y55 V139 K215 | V48-D52 WeakPolarHBondContact O-CB 3.26Å; V48-D52 PolarHBondContact O-N 2.94Å; E49-D52 PolarHBondContact O-N 3.32Å; E49-D52 VanDerWaalsContact O-N 3.14Å; D52-V54 PolarHBondContact O-N 2.82Å; D52-Y55 WeakPolarHBondContact O-CD1 3.42Å; D52-Y55 PolarHBondContact O-N 2.73Å; D52-V139 HydrophobicContact CB-CG2 3.96Å; D52-K215 HydrophobicContact CB-CD 4.05Å; D52-K215 WeakPolarHBondContact OD2-CD 3.18Å; D52-K215 VanDerWaalsContact OD2-CE 3.26Å; D52-K215 WeakPolarHBondContact OD2-CE 3.34Å; D52-K215 IonicContact OD2-NZ 3.7Å; D52-K215 PolarHBondContact OD2-NZ 3.46Å |
| 53 | D | 98.7 | Very high | 98.5 | Very high | 115 Ų | 115 | 47.8 Ų | 47.8 | 62% | 0.615 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -57.7 | -26.3 | 178.5 | -77 | -19.4 | 0 | 0 | 0 | 113 | E49 | E49-D53 VanDerWaalsContact O-CG 3.32Å; E49-D53 PolarHBondContact O-N 2.88Å |
| 54 | V | 98.5 | Very high | 98.5 | Very high | 24 Ų | 24 | 53.9 Ų | 53.9 | 15% | 0.145 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -113.2 | -0.7 | -176 | -54.1 | 0 | 0 | 0 | 0 | 114.5 | A51 D52 L56 E57 F58 P166 K193 V195 | A51-V54 PolarHBondContact O-N 3.49Å; D52-V54 PolarHBondContact O-N 2.82Å; V54-L56 VanDerWaalsContact C-N 3.34Å; V54-L56 PolarHBondContact O-N 3.01Å; V54-E57 PolarHBondContact O-N 3.21Å; V54-F58 PolarHBondContact O-N 3.41Å; V54-P166 HydrophobicContact CG2-CB 4.31Å; V54-K193 WeakPolarHBondContact CG1-O 3.45Å; V54-V195 HydrophobicContact CG2-CG2 4.14Å |
| 55 | Y | 97.7 | Very high | 98.5 | Very high | 39 Ų | 39 | 59.4 Ų | 59.4 | 15% | 0.153 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.5 | -38.1 | -170 | 92.2 | -100.7 | 0 | 0 | 0 | 113.1 | A51 D52 R59 R217 | A51-Y55 PolarHBondContact O-N 2.67Å; D52-Y55 WeakPolarHBondContact O-CD1 3.42Å; D52-Y55 PolarHBondContact O-N 2.73Å; Y55-R59 WeakPolarHBondContact O-CB 3.45Å; Y55-R59 PolarHBondContact O-N 2.88Å; Y55-R217 PolarHBondContact OH-NH2 3.02Å |
| 56 | L | 98.4 | Very high | 98.4 | Very high | 83 Ų | 83 | 57.6 Ų | 57.6 | 44% | 0.435 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -70.5 | -43 | 178.8 | -74.3 | 174.4 | 0 | 0 | 0 | 111.4 | V54 R59 H60 | V54-L56 VanDerWaalsContact C-N 3.34Å; V54-L56 PolarHBondContact O-N 3.01Å; L56-R59 PolarHBondContact O-N 3.31Å; L56-H60 PolarHBondContact O-CD2 3.44Å; L56-H60 PolarHBondContact O-N 3.05Å; L56-H60 VanDerWaalsContact O-N 3.13Å |
| 57 | E | 98.5 | Very high | 98.4 | Very high | 150 Ų | 150 | 53.7 Ų | 53.7 | 70% | 0.701 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -60 | -48.8 | 176.7 | -174 | 178.8 | 147.9 | 0 | 0 | 110.3 | V54 H60 T61 | V54-E57 PolarHBondContact O-N 3.21Å; E57-H60 PolarHBondContact O-N 3.15Å; E57-T61 PolarHBondContact O-N 3.48Å |
| 58 | F | 98.5 | Very high | 98.4 | Very high | 9 Ų | 9 | 56.1 Ų | 56.1 | 4% | 0.039 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68 | -38.9 | -179.1 | -168.5 | -131.4 | 0 | 0 | 0 | 112.8 | V54 H60 T61 R66 L69 F161 G164 V195 | V54-F58 PolarHBondContact O-N 3.41Å; F58-H60 PolarHBondContact O-N 3.37Å; F58-T61 HydrophobicContact CD2-CG2 4.07Å; F58-T61 WeakPolarHBondContact O-CB 3.13Å; F58-T61 PolarHBondContact O-N 3.47Å; F58-T61 PolarHBondContact O-OG1 2.99Å; F58-R66 HydrophobicContact CE2-CG 4.39Å; F58-L69 HydrophobicContact CE2-CD2 4.37Å; F58-L69 HydrophobicContact CZ-CD2 4.46Å; F58-F161 HydrophobicContact CE1-CD1 4.34Å; F58-F161 HydrophobicContact CZ-CB 4.47Å; F58-F161 HydrophobicContact CZ-CD1 4.4Å; F58-G164 VanDerWaalsContact CD1-O 3.26Å; F58-G164 WeakPolarHBondContact CD1-O 3.37Å; F58-G164 VanDerWaalsContact CE1-C 3.46Å; F58-V195 HydrophobicContact CB-CG2 4.02Å; F58-V195 HydrophobicContact CD1-CG1 3.79Å; F58-V195 HydrophobicContact CD1-CG2 3.98Å; F58-V195 HydrophobicContact CD2-CG1 4.38Å; F58-V195 HydrophobicContact CD2-CG2 3.87Å; F58-V195 HydrophobicContact CE1-CG1 3.48Å; F58-V195 VanDerWaalsContact CE1-CG1 3.48Å; F58-V195 HydrophobicContact CE1-CG2 4.44Å; F58-V195 HydrophobicContact CE2-CG1 4.12Å; F58-V195 HydrophobicContact CE2-CG2 4.35Å; F58-V195 HydrophobicContact CG-CG1 4.25Å; F58-V195 HydrophobicContact CG-CG2 3.69Å; F58-V195 HydrophobicContact CZ-CG1 3.67Å |
| 59 | R | 97.8 | Very high | 98.4 | Very high | 41 Ų | 41 | 56.9 Ų | 56.9 | 16% | 0.155 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -55.2 | -37.8 | 172.7 | 174.2 | -170.2 | -72.2 | -162.8 | -0.8 | 112.2 | Y55 L56 E135 A136 G164 | Y55-R59 WeakPolarHBondContact O-CB 3.45Å; Y55-R59 PolarHBondContact O-N 2.88Å; L56-R59 PolarHBondContact O-N 3.31Å; R59-E135 IonicContact NH1-OE2 3.5Å; R59-E135 PolarHBondContact NH1-OE2 3.43Å; R59-A136 HydrophobicContact CB-CB 4Å; R59-A136 HydrophobicContact CG-CB 3.95Å; R59-A136 PolarHBondContact NE-O 3.01Å; R59-A136 PolarHBondContact NH2-O 3.39Å; R59-G164 PolarHBondContact N-O 3.22Å |
| 60 | H | 97.3 | Very high | 98.4 | Very high | 137 Ų | 137 | 53.2 Ų | 53.2 | 63% | 0.634 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 1.7 | -175.7 | -69.1 | -51.9 | 0 | 0 | 0 | 114.1 | L56 E57 F58 | L56-H60 PolarHBondContact O-CD2 3.44Å; L56-H60 PolarHBondContact O-N 3.05Å; L56-H60 VanDerWaalsContact O-N 3.13Å; E57-H60 PolarHBondContact O-N 3.15Å; F58-H60 PolarHBondContact O-N 3.37Å |
| 61 | T | 98.4 | Very high | 98.4 | Very high | 35 Ų | 35 | 55 Ų | 55 | 22% | 0.215 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -61.8 | 144.2 | 167.9 | 59.5 | 0 | 0 | 0 | 0 | 110.8 | E57 F58 R66 | E57-T61 PolarHBondContact O-N 3.48Å; F58-T61 HydrophobicContact CD2-CG2 4.07Å; F58-T61 WeakPolarHBondContact O-CB 3.13Å; F58-T61 PolarHBondContact O-N 3.47Å; F58-T61 PolarHBondContact O-OG1 2.99Å; T61-R66 WeakPolarHBondContact OG1-CD 3.31Å; T61-R66 VanDerWaalsContact OG1-CG 3.23Å; T61-R66 WeakPolarHBondContact OG1-CG 3.49Å |
| 62 | S | 97.7 | Very high | 98.4 | Very high | 52 Ų | 52 | 60.4 Ų | 60.4 | 36% | 0.364 | 30% | 0.304 | S | S | . | . | trans | -65.8 | 155.6 | 176.6 | 66.6 | 0 | 0 | 0 | 0 | 111.4 | K64 E65 R66 | S62-K64 PolarHBondContact O-N 3.42Å; S62-E65 VanDerWaalsContact CB-OE2 3.32Å; S62-E65 WeakPolarHBondContact CB-OE2 3.3Å; S62-E65 PolarHBondContact N-OE2 3.26Å; S62-E65 PolarHBondContact O-N 3.47Å; S62-E65 VanDerWaalsContact O-N 3.13Å; S62-E65 VanDerWaalsContact OG-CG 3.27Å; S62-E65 WeakPolarHBondContact OG-CG 3.31Å; S62-E65 PolarHBondContact OG-N 2.92Å; S62-E65 VanDerWaalsContact OG-N 3.14Å; S62-E65 PolarHBondContact OG-OE2 2.68Å; S62-R66 PolarHBondContact O-N 3Å; S62-R66 VanDerWaalsContact O-N 3.15Å | ||
| 63 | V | 98.1 | Very high | 98.4 | Very high | 44 Ų | 44 | 58.7 Ų | 58.7 | 27% | 0.267 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -53 | -39.3 | 171.4 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | R66 Q67 L118 F123 | V63-R66 PolarHBondContact O-N 3.32Å; V63-Q67 VanDerWaalsContact O-CB 3.29Å; V63-Q67 WeakPolarHBondContact O-CB 3.26Å; V63-Q67 PolarHBondContact O-N 3.37Å; V63-L118 HydrophobicContact CG1-CB 3.92Å; V63-L118 HydrophobicContact CG1-CD2 4.21Å; V63-L118 HydrophobicContact CG1-CG 4.45Å; V63-F123 HydrophobicContact CG2-CD2 3.65Å; V63-F123 HydrophobicContact CG2-CE2 3.78Å |
| 64 | K | 98.2 | Very high | 98.4 | Very high | 129 Ų | 129 | 53.5 Ų | 53.5 | 56% | 0.561 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -68.7 | -34.2 | 179.6 | -68.7 | -56.5 | -178.6 | -168.3 | 0 | 113.6 | S62 A68 D119 | S62-K64 PolarHBondContact O-N 3.42Å; K64-A68 VanDerWaalsContact O-CB 3.26Å; K64-A68 WeakPolarHBondContact O-CB 3.35Å; K64-A68 PolarHBondContact O-N 3.3Å; K64-D119 IonicContact NZ-OD1 2.75Å |
| 65 | E | 98.6 | Very high | 98.4 | Very high | 115 Ų | 115 | 57.7 Ų | 57.7 | 54% | 0.537 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67 | -45.1 | 173.3 | -75.2 | 162.7 | 129.3 | 0 | 0 | 111.6 | S62 Q67 A68 L69 | S62-E65 VanDerWaalsContact CB-OE2 3.32Å; S62-E65 WeakPolarHBondContact CB-OE2 3.3Å; S62-E65 PolarHBondContact N-OE2 3.26Å; S62-E65 PolarHBondContact O-N 3.47Å; S62-E65 VanDerWaalsContact O-N 3.13Å; S62-E65 VanDerWaalsContact OG-CG 3.27Å; S62-E65 WeakPolarHBondContact OG-CG 3.31Å; S62-E65 PolarHBondContact OG-N 2.92Å; S62-E65 VanDerWaalsContact OG-N 3.14Å; S62-E65 PolarHBondContact OG-OE2 2.68Å; E65-Q67 PolarHBondContact O-N 3.43Å; E65-A68 PolarHBondContact O-N 2.86Å; E65-L69 PolarHBondContact O-N 3.36Å |
| 66 | R | 98.5 | Very high | 98.4 | Very high | 12 Ų | 12 | 57.5 Ų | 57.5 | 5% | 0.045 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 176.5 | -65.3 | -178.9 | -69.3 | 173.3 | 6.8 | 111.9 | F58 T61 S62 V63 L69 L70 L118 F123 F161 A162 A163 | F58-R66 HydrophobicContact CE2-CG 4.39Å; T61-R66 WeakPolarHBondContact OG1-CD 3.31Å; T61-R66 VanDerWaalsContact OG1-CG 3.23Å; T61-R66 WeakPolarHBondContact OG1-CG 3.49Å; S62-R66 PolarHBondContact O-N 3Å; S62-R66 VanDerWaalsContact O-N 3.15Å; V63-R66 PolarHBondContact O-N 3.32Å; R66-L69 WeakPolarHBondContact O-CB 3.36Å; R66-L69 PolarHBondContact O-N 2.7Å; R66-L70 WeakPolarHBondContact O-CG 3.46Å; R66-L70 PolarHBondContact O-N 2.95Å; R66-L118 HydrophobicContact CB-CD1 4.29Å; R66-F123 VanDerWaalsContact NH2-CZ 3.32Å; R66-F161 WeakPolarHBondContact CD-O 3.47Å; R66-A162 VanDerWaalsContact CZ-O 3.22Å; R66-A162 PolarHBondContact NH1-O 3.27Å; R66-A163 PolarHBondContact NH1-O 3.13Å |
| 67 | Q | 98.3 | Very high | 98.5 | Very high | 25 Ų | 25 | 53.5 Ų | 53.5 | 12% | 0.117 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 174.5 | -166.9 | 177.8 | 26.8 | 0 | 0 | 111.9 | V63 E65 L69 L70 D71 R115 L118 D119 | V63-Q67 VanDerWaalsContact O-CB 3.29Å; V63-Q67 WeakPolarHBondContact O-CB 3.26Å; V63-Q67 PolarHBondContact O-N 3.37Å; E65-Q67 PolarHBondContact O-N 3.43Å; Q67-L69 VanDerWaalsContact C-N 3.32Å; Q67-L69 PolarHBondContact O-N 3.42Å; Q67-L70 PolarHBondContact O-N 3.49Å; Q67-D71 PolarHBondContact O-N 2.79Å; Q67-R115 HydrophobicContact CG-CG 3.73Å; Q67-R115 PolarHBondContact NE2-O 3.22Å; Q67-L118 HydrophobicContact CB-CB 4.48Å; Q67-L118 HydrophobicContact CB-CD1 3.9Å; Q67-L118 HydrophobicContact CG-CB 4.46Å; Q67-L118 HydrophobicContact CG-CD1 4.45Å; Q67-D119 VanDerWaalsContact NE2-CG 3.34Å; Q67-D119 PolarHBondContact NE2-OD1 3.06Å |
| 68 | A | 98.7 | Very high | 98.5 | Very high | 50 Ų | 50 | 50.9 Ų | 50.9 | 41% | 0.413 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.5 | -33.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K64 E65 K72 | K64-A68 VanDerWaalsContact O-CB 3.26Å; K64-A68 WeakPolarHBondContact O-CB 3.35Å; K64-A68 PolarHBondContact O-N 3.3Å; E65-A68 PolarHBondContact O-N 2.86Å; A68-K72 WeakPolarHBondContact O-CG 3.28Å; A68-K72 PolarHBondContact O-N 2.91Å; A68-K72 VanDerWaalsContact O-N 3.15Å |
| 69 | L | 98.8 | Very high | 98.5 | Very high | 16 Ų | 16 | 56.1 Ų | 56.1 | 8% | 0.084 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.7 | -49.3 | 172.6 | -179.6 | 61.3 | 0 | 0 | 0 | 111.3 | F58 E65 R66 Q67 D71 K72 I73 V191 | F58-L69 HydrophobicContact CE2-CD2 4.37Å; F58-L69 HydrophobicContact CZ-CD2 4.46Å; E65-L69 PolarHBondContact O-N 3.36Å; R66-L69 WeakPolarHBondContact O-CB 3.36Å; R66-L69 PolarHBondContact O-N 2.7Å; Q67-L69 VanDerWaalsContact C-N 3.32Å; Q67-L69 PolarHBondContact O-N 3.42Å; L69-D71 VanDerWaalsContact C-N 3.29Å; L69-D71 PolarHBondContact O-N 3.22Å; L69-K72 PolarHBondContact O-N 3.28Å; L69-I73 HydrophobicContact CD1-CD1 4.49Å; L69-I73 HydrophobicContact CG-CD1 4.13Å; L69-I73 WeakPolarHBondContact O-CG1 3.49Å; L69-I73 PolarHBondContact O-N 2.85Å; L69-V191 HydrophobicContact CD1-CG2 3.94Å; L69-V191 HydrophobicContact CD2-CG2 4.49Å |
| 70 | L | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.2 | -39 | 176.8 | -70.3 | 165.9 | 0 | 0 | 0 | 111.9 | R66 Q67 K72 I73 V74 F111 A114 R115 L118 A158 F161 A162 | R66-L70 WeakPolarHBondContact O-CG 3.46Å; R66-L70 PolarHBondContact O-N 2.95Å; Q67-L70 PolarHBondContact O-N 3.49Å; L70-K72 PolarHBondContact O-N 3.47Å; L70-I73 WeakPolarHBondContact O-CB 3.46Å; L70-I73 PolarHBondContact O-N 2.83Å; L70-V74 WeakPolarHBondContact O-CG2 3.34Å; L70-V74 PolarHBondContact O-N 3.15Å; L70-F111 HydrophobicContact CD2-CD1 4Å; L70-A114 HydrophobicContact CD1-CB 4.19Å; L70-R115 HydrophobicContact CB-CB 3.89Å; L70-R115 HydrophobicContact CB-CG 4.26Å; L70-R115 HydrophobicContact CD1-CB 4.4Å; L70-L118 HydrophobicContact CD1-CD1 3.95Å; L70-A158 HydrophobicContact CD2-CB 4.48Å; L70-F161 HydrophobicContact CD2-CB 4.19Å; L70-A162 HydrophobicContact CD1-CB 4.03Å |
| 71 | D | 98.7 | Very high | 98.6 | Very high | 43 Ų | 43 | 52.3 Ų | 52.3 | 23% | 0.23 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.6 | -39.8 | 175.9 | -172.8 | 67.2 | 0 | 0 | 0 | 113 | Q67 L69 V74 K75 R115 | Q67-D71 PolarHBondContact O-N 2.79Å; L69-D71 VanDerWaalsContact C-N 3.29Å; L69-D71 PolarHBondContact O-N 3.22Å; D71-V74 PolarHBondContact O-N 3.05Å; D71-K75 WeakPolarHBondContact O-CG 3.45Å; D71-K75 PolarHBondContact O-N 2.75Å; D71-K75 WeakPolarHBondContact OD2-CE 3.49Å; D71-K75 IonicContact OD2-NZ 2.67Å; D71-K75 PolarHBondContact OD2-NZ 3.27Å; D71-R115 IonicContact OD1-NH1 3.58Å; D71-R115 PolarHBondContact OD1-NH1 2.96Å; D71-R115 VanDerWaalsContact OD1-NH1 3.17Å |
| 72 | K | 98.9 | Very high | 98.6 | Very high | 114 Ų | 114 | 56.1 Ų | 56.1 | 50% | 0.496 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.1 | -42 | 173.3 | -67.7 | 172.6 | -176.1 | 177.2 | 0 | 111.5 | A68 L69 L70 K75 E76 V189 | A68-K72 WeakPolarHBondContact O-CG 3.28Å; A68-K72 PolarHBondContact O-N 2.91Å; A68-K72 VanDerWaalsContact O-N 3.15Å; L69-K72 PolarHBondContact O-N 3.28Å; L70-K72 PolarHBondContact O-N 3.47Å; K72-K75 PolarHBondContact O-N 2.73Å; K72-E76 PolarHBondContact O-N 3.37Å; K72-V189 HydrophobicContact CB-CB 3.99Å; K72-V189 HydrophobicContact CB-CG1 4.18Å; K72-V189 WeakPolarHBondContact O-CG1 3Å |
| 73 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.7 | -47 | 176.5 | -69.7 | 167.4 | 0 | 0 | 0 | 110.4 | L69 L70 K75 E76 Y77 F111 F161 I185 F186 V189 V191 | L69-I73 HydrophobicContact CD1-CD1 4.49Å; L69-I73 HydrophobicContact CG-CD1 4.13Å; L69-I73 WeakPolarHBondContact O-CG1 3.49Å; L69-I73 PolarHBondContact O-N 2.85Å; L70-I73 WeakPolarHBondContact O-CB 3.46Å; L70-I73 PolarHBondContact O-N 2.83Å; I73-K75 VanDerWaalsContact C-N 3.35Å; I73-K75 PolarHBondContact O-N 2.84Å; I73-E76 PolarHBondContact O-N 2.99Å; I73-Y77 WeakPolarHBondContact O-CB 3.33Å; I73-Y77 PolarHBondContact O-N 3.09Å; I73-F111 HydrophobicContact CG2-CD1 3.7Å; I73-F111 HydrophobicContact CG2-CD2 4.03Å; I73-F111 HydrophobicContact CG2-CE1 3.78Å; I73-F111 HydrophobicContact CG2-CE2 4.1Å; I73-F111 HydrophobicContact CG2-CG 3.84Å; I73-F111 HydrophobicContact CG2-CZ 3.99Å; I73-F161 HydrophobicContact CD1-CD2 3.73Å; I73-F161 HydrophobicContact CD1-CE2 3.79Å; I73-I185 HydrophobicContact CG2-CG2 4.44Å; I73-F186 HydrophobicContact CD1-CD1 4.01Å; I73-F186 HydrophobicContact CD1-CE1 3.83Å; I73-F186 HydrophobicContact CG1-CD1 3.99Å; I73-F186 HydrophobicContact CG1-CE1 4.02Å; I73-F186 HydrophobicContact CG2-CD1 4.41Å; I73-F186 HydrophobicContact CG2-CE1 3.78Å; I73-V189 HydrophobicContact CG1-CG2 3.88Å; I73-V191 HydrophobicContact CD1-CG2 4.32Å |
| 74 | V | 98.8 | Very high | 98.7 | Very high | 5 Ų | 5 | 55.1 Ų | 55.1 | 3% | 0.03 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -54 | -51.2 | 177.4 | 165.5 | 0 | 0 | 0 | 0 | 110.8 | L70 D71 E76 Y77 E78 L108 F111 V112 | L70-V74 WeakPolarHBondContact O-CG2 3.34Å; L70-V74 PolarHBondContact O-N 3.15Å; D71-V74 PolarHBondContact O-N 3.05Å; V74-E76 PolarHBondContact O-N 2.87Å; V74-Y77 PolarHBondContact O-N 3.14Å; V74-E78 WeakPolarHBondContact O-CG 3.43Å; V74-E78 PolarHBondContact O-N 2.77Å; V74-L108 HydrophobicContact CG1-CD1 3.88Å; V74-F111 HydrophobicContact CG2-CB 3.65Å; V74-V112 HydrophobicContact CG1-CG2 3.9Å; V74-V112 HydrophobicContact CG2-CG2 3.84Å |
| 75 | K | 98.8 | Very high | 98.7 | Very high | 112 Ų | 112 | 49.4 Ų | 49.4 | 49% | 0.487 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.4 | -43.6 | -179.1 | -72.3 | 167.2 | 177.3 | 160.2 | 0 | 112.8 | D71 K72 I73 E78 N79 | D71-K75 WeakPolarHBondContact O-CG 3.45Å; D71-K75 PolarHBondContact O-N 2.75Å; D71-K75 WeakPolarHBondContact OD2-CE 3.49Å; D71-K75 IonicContact OD2-NZ 2.67Å; D71-K75 PolarHBondContact OD2-NZ 3.27Å; K72-K75 PolarHBondContact O-N 2.73Å; I73-K75 VanDerWaalsContact C-N 3.35Å; I73-K75 PolarHBondContact O-N 2.84Å; K75-E78 PolarHBondContact O-N 2.79Å; K75-N79 PolarHBondContact O-N 3.49Å; K75-N79 PolarHBondContact O-ND2 3.5Å |
| 76 | E | 98.8 | Very high | 98.7 | Very high | 35 Ų | 35 | 47.1 Ų | 47.1 | 16% | 0.164 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -75.2 | -32.9 | 179.8 | -175.5 | 58.1 | -162.8 | 0 | 0 | 112 | K72 I73 V74 E78 N79 R80 I185 K188 V189 | K72-E76 PolarHBondContact O-N 3.37Å; I73-E76 PolarHBondContact O-N 2.99Å; V74-E76 PolarHBondContact O-N 2.87Å; E76-E78 VanDerWaalsContact C-N 3.3Å; E76-E78 PolarHBondContact O-N 2.81Å; E76-N79 WeakPolarHBondContact O-CB 3.46Å; E76-N79 PolarHBondContact O-N 2.84Å; E76-N79 VanDerWaalsContact O-N 3.13Å; E76-N79 PolarHBondContact OE2-ND2 3.18Å; E76-R80 WeakPolarHBondContact O-CG 3.27Å; E76-R80 PolarHBondContact O-N 3.41Å; E76-I185 HydrophobicContact CB-CG2 3.97Å; E76-I185 HydrophobicContact CG-CB 4.27Å; E76-I185 HydrophobicContact CG-CG1 4.18Å; E76-I185 HydrophobicContact CG-CG2 3.86Å; E76-K188 HydrophobicContact CG-CB 4.32Å; E76-K188 HydrophobicContact CG-CG 4.09Å; E76-V189 HydrophobicContact CB-CG1 3.43Å; E76-V189 VanDerWaalsContact CB-CG1 3.43Å; E76-V189 HydrophobicContact CG-CG1 3.93Å |
| 77 | Y | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.1 | -40.7 | 172.3 | -173.6 | -77.7 | 0 | 0 | 0 | 111.5 | I73 V74 N79 R80 I84 Y104 L108 F111 T150 L182 I185 | I73-Y77 WeakPolarHBondContact O-CB 3.33Å; I73-Y77 PolarHBondContact O-N 3.09Å; V74-Y77 PolarHBondContact O-N 3.14Å; Y77-N79 VanDerWaalsContact C-N 3.31Å; Y77-N79 PolarHBondContact O-N 3.12Å; Y77-R80 PolarHBondContact O-N 2.98Å; Y77-R80 VanDerWaalsContact O-N 3.15Å; Y77-I84 HydrophobicContact CD1-CD1 4.42Å; Y77-I84 HydrophobicContact CD2-CD1 4.02Å; Y77-I84 HydrophobicContact CE1-CD1 3.99Å; Y77-I84 HydrophobicContact CE2-CD1 3.55Å; Y77-I84 HydrophobicContact CG-CD1 4.42Å; Y77-Y104 HydrophobicContact CD1-CD2 4.29Å; Y77-Y104 AromaticContact CD1-CE2 3.73Å; Y77-Y104 HydrophobicContact CD1-CE2 3.73Å; Y77-Y104 AromaticContact CE1-CD2 3.45Å; Y77-Y104 HydrophobicContact CE1-CD2 3.45Å; Y77-Y104 VanDerWaalsContact CE1-CD2 3.45Å; Y77-Y104 AromaticContact CE1-CE2 3.33Å; Y77-Y104 HydrophobicContact CE1-CE2 3.33Å; Y77-Y104 HydrophobicContact CE1-CG 4.4Å; Y77-Y104 PolarHBondContact OH-O 3.41Å; Y77-L108 HydrophobicContact CD1-CB 3.86Å; Y77-L108 HydrophobicContact CD1-CD1 4.02Å; Y77-L108 HydrophobicContact CD1-CG 4.47Å; Y77-L108 HydrophobicContact CE1-CB 3.67Å; Y77-F111 HydrophobicContact CD2-CD2 4.18Å; Y77-F111 AromaticContact CD2-CE2 3.98Å; Y77-F111 HydrophobicContact CD2-CE2 3.98Å; Y77-F111 HydrophobicContact CE2-CE2 4.22Å; Y77-T150 HydrophobicContact CE2-CG2 3.84Å; Y77-T150 WeakPolarHBondContact OH-CG2 3.25Å; Y77-L182 HydrophobicContact CD2-CD2 3.79Å; Y77-L182 HydrophobicContact CE2-CD2 3.8Å; Y77-I185 HydrophobicContact CD2-CD1 4Å; Y77-I185 HydrophobicContact CG-CD1 4.47Å |
| 78 | E | 98.7 | Very high | 98.7 | Very high | 95 Ų | 95 | 45.3 Ų | 45.3 | 44% | 0.444 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.9 | -41.4 | 173.3 | -71.4 | 173.6 | 149.9 | 0 | 0 | 112.2 | V74 K75 E76 R80 K81 L108 | V74-E78 WeakPolarHBondContact O-CG 3.43Å; V74-E78 PolarHBondContact O-N 2.77Å; K75-E78 PolarHBondContact O-N 2.79Å; E76-E78 VanDerWaalsContact C-N 3.3Å; E76-E78 PolarHBondContact O-N 2.81Å; E78-R80 PolarHBondContact O-N 3.48Å; E78-K81 WeakPolarHBondContact O-CB 3.33Å; E78-K81 PolarHBondContact O-N 2.94Å; E78-L108 HydrophobicContact CG-CD1 3.89Å; E78-L108 HydrophobicContact CG-CD2 4.01Å |
| 79 | N | 98.7 | Very high | 98.7 | Very high | 118 Ų | 118 | 43 Ų | 43 | 63% | 0.631 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -65.6 | -23.1 | 177.6 | -64.5 | -29.9 | 0 | 0 | 0 | 113.4 | K75 E76 Y77 | K75-N79 PolarHBondContact O-N 3.49Å; K75-N79 PolarHBondContact O-ND2 3.5Å; E76-N79 WeakPolarHBondContact O-CB 3.46Å; E76-N79 PolarHBondContact O-N 2.84Å; E76-N79 VanDerWaalsContact O-N 3.13Å; E76-N79 PolarHBondContact OE2-ND2 3.18Å; Y77-N79 VanDerWaalsContact C-N 3.31Å; Y77-N79 PolarHBondContact O-N 3.12Å |
| 80 | R | 98.5 | Very high | 98.7 | Very high | 36 Ų | 36 | 43.4 Ų | 43.4 | 14% | 0.136 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 13 | -178.2 | -59.7 | -57 | -59.6 | -75 | 1.3 | 113.7 | E76 Y77 E78 D82 D83 I84 I181 E184 I185 | E76-R80 WeakPolarHBondContact O-CG 3.27Å; E76-R80 PolarHBondContact O-N 3.41Å; Y77-R80 PolarHBondContact O-N 2.98Å; Y77-R80 VanDerWaalsContact O-N 3.15Å; E78-R80 PolarHBondContact O-N 3.48Å; R80-D82 PolarHBondContact O-N 3.27Å; R80-D83 IonicContact CZ-OD2 2.69Å; R80-D83 IonicContact NE-OD2 2.67Å; R80-D83 PolarHBondContact NE-OD2 3.38Å; R80-D83 IonicContact NH2-OD2 2.81Å; R80-D83 PolarHBondContact NH2-OD2 2.85Å; R80-D83 PolarHBondContact O-N 3.22Å; R80-I84 HydrophobicContact CB-CD1 4.4Å; R80-I84 WeakPolarHBondContact O-CG1 3.48Å; R80-I84 PolarHBondContact O-N 3Å; R80-I84 VanDerWaalsContact O-N 3.08Å; R80-I181 HydrophobicContact CB-CG2 4.23Å; R80-E184 IonicContact CZ-OE2 2.73Å; R80-E184 VanDerWaalsContact CZ-OE2 3.24Å; R80-E184 IonicContact NH1-OE2 2.7Å; R80-E184 PolarHBondContact NH1-OE2 3.18Å; R80-E184 IonicContact NH2-OE2 3.26Å; R80-E184 PolarHBondContact NH2-OE2 3.38Å; R80-I185 HydrophobicContact CB-CD1 3.96Å; R80-I185 HydrophobicContact CB-CG1 4.23Å; R80-I185 HydrophobicContact CG-CD1 3.92Å; R80-I185 HydrophobicContact CG-CG1 3.61Å |
| 81 | K | 98.7 | Very high | 98.6 | Very high | 62 Ų | 62 | 43.4 Ų | 43.4 | 27% | 0.27 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -48.5 | -54.1 | -178.9 | 177.1 | 179.7 | 171.4 | -172.9 | 0 | 113.3 | E78 D83 I84 V85 E100 Y104 | E78-K81 WeakPolarHBondContact O-CB 3.33Å; E78-K81 PolarHBondContact O-N 2.94Å; K81-D83 VanDerWaalsContact C-N 3.33Å; K81-D83 PolarHBondContact O-N 3.34Å; K81-I84 PolarHBondContact O-N 2.85Å; K81-V85 HydrophobicContact CG-CG2 4.36Å; K81-V85 WeakPolarHBondContact O-CG2 3.45Å; K81-V85 PolarHBondContact O-N 2.97Å; K81-E100 WeakPolarHBondContact CE-OE1 3.36Å; K81-E100 IonicContact NZ-OE1 2.76Å; K81-E100 PolarHBondContact NZ-OE1 3.15Å; K81-Y104 HydrophobicContact CB-CD2 4.07Å; K81-Y104 HydrophobicContact CB-CE1 4.37Å; K81-Y104 HydrophobicContact CB-CE2 3.49Å; K81-Y104 VanDerWaalsContact CB-CE2 3.49Å; K81-Y104 HydrophobicContact CD-CD1 4.35Å; K81-Y104 HydrophobicContact CD-CE1 3.81Å; K81-Y104 HydrophobicContact CD-CE2 4.43Å; K81-Y104 HydrophobicContact CG-CD1 4.03Å; K81-Y104 HydrophobicContact CG-CD2 3.94Å; K81-Y104 HydrophobicContact CG-CE1 3.79Å; K81-Y104 HydrophobicContact CG-CE2 3.68Å; K81-Y104 HydrophobicContact CG-CG 4.11Å |
| 82 | D | 98.6 | Very high | 98.6 | Very high | 116 Ų | 116 | 41.5 Ų | 41.5 | 62% | 0.62 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -63.3 | -41.4 | -175.1 | -71.8 | -11.9 | 0 | 0 | 0 | 111.3 | R80 I84 V85 Q86 | R80-D82 PolarHBondContact O-N 3.27Å; D82-I84 VanDerWaalsContact C-N 3.34Å; D82-I84 PolarHBondContact O-N 3.04Å; D82-V85 PolarHBondContact O-N 2.89Å; D82-Q86 WeakPolarHBondContact O-CB 3.24Å; D82-Q86 VanDerWaalsContact O-CG 3.26Å; D82-Q86 WeakPolarHBondContact O-CG 2.83Å; D82-Q86 PolarHBondContact O-N 3.21Å |
| 83 | D | 98.5 | Very high | 98.6 | Very high | 73 Ų | 73 | 36.1 Ų | 36.1 | 39% | 0.39 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -61 | -43.9 | 177.9 | -67.2 | -21.7 | 0 | 0 | 0 | 111.8 | R80 K81 A87 I181 | R80-D83 IonicContact CZ-OD2 2.69Å; R80-D83 IonicContact NE-OD2 2.67Å; R80-D83 PolarHBondContact NE-OD2 3.38Å; R80-D83 IonicContact NH2-OD2 2.81Å; R80-D83 PolarHBondContact NH2-OD2 2.85Å; R80-D83 PolarHBondContact O-N 3.22Å; K81-D83 VanDerWaalsContact C-N 3.33Å; K81-D83 PolarHBondContact O-N 3.34Å; D83-A87 VanDerWaalsContact O-CB 3.23Å; D83-A87 WeakPolarHBondContact O-CB 3.24Å; D83-A87 PolarHBondContact O-N 2.96Å; D83-I181 HydrophobicContact CB-CD1 4.13Å |
| 84 | I | 98.7 | Very high | 98.6 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.8 | -48.5 | 177.6 | -66.2 | 171.1 | 0 | 0 | 0 | 110.3 | Y77 R80 K81 D82 Q86 A87 I88 Y104 T150 I181 I185 | Y77-I84 HydrophobicContact CD1-CD1 4.42Å; Y77-I84 HydrophobicContact CD2-CD1 4.02Å; Y77-I84 HydrophobicContact CE1-CD1 3.99Å; Y77-I84 HydrophobicContact CE2-CD1 3.55Å; Y77-I84 HydrophobicContact CG-CD1 4.42Å; R80-I84 HydrophobicContact CB-CD1 4.4Å; R80-I84 WeakPolarHBondContact O-CG1 3.48Å; R80-I84 PolarHBondContact O-N 3Å; R80-I84 VanDerWaalsContact O-N 3.08Å; K81-I84 PolarHBondContact O-N 2.85Å; D82-I84 VanDerWaalsContact C-N 3.34Å; D82-I84 PolarHBondContact O-N 3.04Å; I84-Q86 VanDerWaalsContact C-N 3.34Å; I84-Q86 PolarHBondContact O-N 3.08Å; I84-A87 PolarHBondContact O-N 3.35Å; I84-I88 HydrophobicContact CG2-CG1 4.28Å; I84-I88 WeakPolarHBondContact O-CB 3.46Å; I84-I88 VanDerWaalsContact O-CG1 3.27Å; I84-I88 WeakPolarHBondContact O-CG1 3.13Å; I84-I88 PolarHBondContact O-N 3.41Å; I84-Y104 HydrophobicContact CB-CD2 4.44Å; I84-Y104 HydrophobicContact CD1-CD2 4.28Å; I84-Y104 HydrophobicContact CG2-CD2 4.37Å; I84-T150 HydrophobicContact CG2-CG2 4.1Å; I84-I181 HydrophobicContact CD1-CG2 4.36Å; I84-I181 HydrophobicContact CG1-CG2 3.77Å; I84-I185 HydrophobicContact CD1-CD1 4.49Å |
| 85 | V | 98.7 | Very high | 98.6 | Very high | 8 Ų | 8 | 36.1 Ų | 36.1 | 5% | 0.048 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.9 | -45.5 | -179.7 | 169.5 | 0 | 0 | 0 | 0 | 111 | K81 D82 T89 L96 E100 | K81-V85 HydrophobicContact CG-CG2 4.36Å; K81-V85 WeakPolarHBondContact O-CG2 3.45Å; K81-V85 PolarHBondContact O-N 2.97Å; D82-V85 PolarHBondContact O-N 2.89Å; V85-T89 PolarHBondContact O-N 3.22Å; V85-T89 PolarHBondContact O-OG1 2.79Å; V85-L96 HydrophobicContact CG1-CD2 4.05Å; V85-E100 HydrophobicContact CG1-CB 4.48Å; V85-E100 HydrophobicContact CG2-CB 3.9Å; V85-E100 HydrophobicContact CG2-CG 4.33Å |
| 86 | Q | 98.4 | Very high | 98.6 | Very high | 67 Ų | 67 | 33.2 Ų | 33.2 | 31% | 0.313 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -65.7 | -44 | 177.6 | -65.3 | -49.5 | -48.9 | 0 | 0 | 111.8 | D82 I84 T89 D90 R312 | D82-Q86 WeakPolarHBondContact O-CB 3.24Å; D82-Q86 VanDerWaalsContact O-CG 3.26Å; D82-Q86 WeakPolarHBondContact O-CG 2.83Å; D82-Q86 PolarHBondContact O-N 3.21Å; I84-Q86 VanDerWaalsContact C-N 3.34Å; I84-Q86 PolarHBondContact O-N 3.08Å; Q86-T89 PolarHBondContact O-N 3.22Å; Q86-D90 WeakPolarHBondContact O-CB 3.17Å; Q86-D90 PolarHBondContact O-N 3.49Å; Q86-D90 VanDerWaalsContact O-OD2 3.09Å; Q86-R312 VanDerWaalsContact OE1-CZ 3.24Å |
| 87 | A | 98.4 | Very high | 98.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.1 | -51 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | D83 I84 T89 D90 E91 F177 I181 | D83-A87 VanDerWaalsContact O-CB 3.23Å; D83-A87 WeakPolarHBondContact O-CB 3.24Å; D83-A87 PolarHBondContact O-N 2.96Å; I84-A87 PolarHBondContact O-N 3.35Å; A87-T89 PolarHBondContact O-N 2.86Å; A87-D90 PolarHBondContact O-N 3.21Å; A87-D90 VanDerWaalsContact O-N 3.12Å; A87-E91 VanDerWaalsContact O-CG 3.26Å; A87-E91 WeakPolarHBondContact O-CG 3.25Å; A87-E91 PolarHBondContact O-N 3.04Å; A87-F177 HydrophobicContact CB-CB 3.98Å; A87-I181 HydrophobicContact CB-CD1 3.68Å |
| 88 | I | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.4 | -44.3 | -179.8 | -66.2 | -62.9 | 0 | 0 | 0 | 111.8 | I84 D90 L92 G93 A94 S99 H103 P149 T150 A178 | I84-I88 HydrophobicContact CG2-CG1 4.28Å; I84-I88 WeakPolarHBondContact O-CB 3.46Å; I84-I88 VanDerWaalsContact O-CG1 3.27Å; I84-I88 WeakPolarHBondContact O-CG1 3.13Å; I84-I88 PolarHBondContact O-N 3.41Å; I88-D90 VanDerWaalsContact C-N 3.28Å; I88-D90 PolarHBondContact O-N 3.11Å; I88-L92 HydrophobicContact CG2-CB 4.3Å; I88-L92 HydrophobicContact CG2-CD2 4.14Å; I88-L92 WeakPolarHBondContact O-CA 3.35Å; I88-L92 VanDerWaalsContact O-CB 3.26Å; I88-L92 WeakPolarHBondContact O-CB 3.48Å; I88-L92 PolarHBondContact O-N 2.56Å; I88-G93 PolarHBondContact O-N 3.14Å; I88-A94 HydrophobicContact CG2-CB 3.98Å; I88-S99 WeakPolarHBondContact CG2-OG 3.24Å; I88-H103 HydrophobicContact CG1-CB 4.29Å; I88-H103 HydrophobicContact CG2-CB 3.88Å; I88-P149 HydrophobicContact CD1-CB 3.72Å; I88-P149 HydrophobicContact CD1-CG 3.6Å; I88-T150 WeakPolarHBondContact CD1-OG1 3.21Å; I88-A178 HydrophobicContact CD1-CB 3.96Å |
| 89 | T | 98.7 | Very high | 98.4 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.012 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.9 | -36 | 176 | -73 | 0 | 0 | 0 | 0 | 112.4 | V85 Q86 A87 G93 A94 L96 S99 P311 R312 | V85-T89 PolarHBondContact O-N 3.22Å; V85-T89 PolarHBondContact O-OG1 2.79Å; Q86-T89 PolarHBondContact O-N 3.22Å; A87-T89 PolarHBondContact O-N 2.86Å; T89-G93 VanDerWaalsContact O-CA 3.27Å; T89-G93 WeakPolarHBondContact O-CA 3.47Å; T89-G93 PolarHBondContact O-N 2.67Å; T89-A94 WeakPolarHBondContact CA-O 3.44Å; T89-A94 WeakPolarHBondContact CB-O 3.36Å; T89-A94 PolarHBondContact OG1-O 3.43Å; T89-L96 HydrophobicContact CG2-CD2 4.07Å; T89-L96 HydrophobicContact CG2-CG 4.19Å; T89-S99 WeakPolarHBondContact OG1-CB 3.28Å; T89-S99 PolarHBondContact OG1-OG 2.96Å; T89-P311 HydrophobicContact CG2-CB 3.9Å; T89-R312 HydrophobicContact CG2-CG 3.89Å |
| 90 | D | 98.3 | Very high | 98.4 | Very high | 24 Ų | 24 | 28.6 Ų | 28.6 | 13% | 0.128 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -74.1 | -47.1 | 179.7 | -66.3 | -31.9 | 0 | 0 | 0 | 113 | R2 N26 I33 Q86 A87 I88 R312 | R2-D90 IonicContact CZ-OD2 2.73Å; R2-D90 IonicContact NH1-OD2 2.84Å; R2-D90 PolarHBondContact NH1-OD2 2.84Å; R2-D90 IonicContact NH2-OD2 3.24Å; R2-D90 PolarHBondContact NH2-OD2 2.67Å; N26-D90 WeakPolarHBondContact CA-O 3.45Å; N26-D90 WeakPolarHBondContact CB-O 3.33Å; N26-D90 VanDerWaalsContact CG-O 3.23Å; N26-D90 PolarHBondContact ND2-O 3Å; I33-D90 HydrophobicContact CD1-CB 3.67Å; I33-D90 WeakPolarHBondContact CD1-O 3.38Å; Q86-D90 WeakPolarHBondContact O-CB 3.17Å; Q86-D90 PolarHBondContact O-N 3.49Å; Q86-D90 VanDerWaalsContact O-OD2 3.09Å; A87-D90 PolarHBondContact O-N 3.21Å; A87-D90 VanDerWaalsContact O-N 3.12Å; I88-D90 VanDerWaalsContact C-N 3.28Å; I88-D90 PolarHBondContact O-N 3.11Å; D90-R312 IonicContact OD1-CZ 3.35Å; D90-R312 IonicContact OD1-NE 2.76Å; D90-R312 PolarHBondContact OD1-NE 2.99Å; D90-R312 IonicContact OD1-NH2 2.67Å; D90-R312 PolarHBondContact OD1-NH2 3.46Å; D90-R312 IonicContact OD2-NH2 3.33Å |
| 91 | E | 98.3 | Very high | 98.4 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -89.2 | -37.1 | -171.4 | 74 | -172.2 | 172.2 | 0 | 0 | 113.5 | V24 P27 I33 A87 T175 P176 F177 A178 I322 | V24-E91 HydrophobicContact CG1-CB 4.17Å; P27-E91 WeakPolarHBondContact CD-O 3.29Å; I33-E91 HydrophobicContact CD1-CB 4.25Å; A87-E91 VanDerWaalsContact O-CG 3.26Å; A87-E91 WeakPolarHBondContact O-CG 3.25Å; A87-E91 PolarHBondContact O-N 3.04Å; E91-T175 HydrophobicContact CB-CG2 4.3Å; E91-T175 HydrophobicContact CG-CG2 3.77Å; E91-T175 VanDerWaalsContact OE2-CA 3.3Å; E91-T175 WeakPolarHBondContact OE2-CA 3.21Å; E91-P176 WeakPolarHBondContact OE2-CD 3.45Å; E91-P176 VanDerWaalsContact OE2-N 3.15Å; E91-F177 HydrophobicContact CB-CD2 4.1Å; E91-F177 HydrophobicContact CB-CE2 4.45Å; E91-F177 WeakPolarHBondContact OE2-CA 3.42Å; E91-F177 WeakPolarHBondContact OE2-CB 3.46Å; E91-F177 WeakPolarHBondContact OE2-CD2 3.37Å; E91-F177 VanDerWaalsContact OE2-CG 3.23Å; E91-F177 WeakPolarHBondContact OE2-CG 3.26Å; E91-F177 PolarHBondContact OE2-N 3.25Å; E91-A178 PolarHBondContact OE1-N 2.64Å; E91-I322 VanDerWaalsContact O-CD1 3.24Å; E91-I322 WeakPolarHBondContact O-CD1 3.44Å |
| 92 | L | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -25.6 | 177.9 | 177.9 | 60.8 | 0 | 0 | 0 | 112.3 | I88 A94 H103 W146 N147 T175 I322 | I88-L92 HydrophobicContact CG2-CB 4.3Å; I88-L92 HydrophobicContact CG2-CD2 4.14Å; I88-L92 WeakPolarHBondContact O-CA 3.35Å; I88-L92 VanDerWaalsContact O-CB 3.26Å; I88-L92 WeakPolarHBondContact O-CB 3.48Å; I88-L92 PolarHBondContact O-N 2.56Å; L92-A94 VanDerWaalsContact C-N 3.3Å; L92-A94 HydrophobicContact CD2-CB 4.07Å; L92-A94 HydrophobicContact CG-CB 4.31Å; L92-H103 WeakPolarHBondContact CD2-CE1 3.39Å; L92-W146 HydrophobicContact CD1-CE3 4.01Å; L92-W146 HydrophobicContact CD1-CZ3 4.3Å; L92-W146 WeakPolarHBondContact CD1-O 3.29Å; L92-N147 WeakPolarHBondContact CD2-O 3.46Å; L92-T175 HydrophobicContact CB-CG2 4.15Å; L92-I322 HydrophobicContact CD1-CD1 3.99Å |
| 93 | G | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | trans | 74.9 | 18.3 | -170 | 0 | 0 | 0 | 0 | 0 | 113.3 | I88 T89 P311 P320 | I88-G93 PolarHBondContact O-N 3.14Å; T89-G93 VanDerWaalsContact O-CA 3.27Å; T89-G93 WeakPolarHBondContact O-CA 3.47Å; T89-G93 PolarHBondContact O-N 2.67Å; G93-P311 WeakPolarHBondContact O-CB 3.33Å; G93-P311 WeakPolarHBondContact O-CG 3.25Å; G93-P320 WeakPolarHBondContact O-CD 3.49Å | ||
| 94 | A | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 2% | 0.017 | 12% | 0.12 | C | C | . | . | trans | -68 | 135.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | I88 T89 L92 L98 S99 | I88-A94 HydrophobicContact CG2-CB 3.98Å; T89-A94 WeakPolarHBondContact CA-O 3.44Å; T89-A94 WeakPolarHBondContact CB-O 3.36Å; T89-A94 PolarHBondContact OG1-O 3.43Å; L92-A94 VanDerWaalsContact C-N 3.3Å; L92-A94 HydrophobicContact CD2-CB 4.07Å; L92-A94 HydrophobicContact CG-CB 4.31Å; A94-L98 HydrophobicContact CB-CD2 4.48Å; A94-S99 WeakPolarHBondContact CB-OG 3.32Å; A94-S99 PolarHBondContact O-OG 2.88Å | ||
| 95 | P | 98.6 | Very high | 98.2 | Very high | 4 Ų | 4 | 28 Ų | 28 | 3% | 0.026 | 14% | 0.136 | C | C | . | . | trans | -55.3 | 143.6 | 175.3 | -26.4 | 35.4 | 0 | 0 | 0 | 111.5 | S97 L98 S99 P311 T316 | P95-S97 PolarHBondContact O-N 2.81Å; P95-S97 VanDerWaalsContact O-N 3.09Å; P95-L98 HydrophobicContact CB-CB 4.47Å; P95-L98 CarbonylContact O-C 3.46Å; P95-L98 WeakPolarHBondContact O-CA 3.33Å; P95-L98 WeakPolarHBondContact O-CB 3.44Å; P95-L98 PolarHBondContact O-N 2.95Å; P95-S99 PolarHBondContact O-N 2.84Å; P95-S99 PolarHBondContact O-OG 2.77Å; P95-P311 VanDerWaalsContact CA-O 3.29Å; P95-P311 WeakPolarHBondContact CA-O 3.33Å; P95-T316 HydrophobicContact CB-CG2 4.3Å; P95-T316 WeakPolarHBondContact CB-O 3.47Å; P95-T316 HydrophobicContact CG-CG2 3.83Å | ||
| 96 | L | 98.1 | Very high | 98.1 | Very high | 51 Ų | 51 | 29.6 Ų | 29.6 | 27% | 0.267 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -48.3 | -45.6 | -174.7 | -78.9 | 168.8 | 0 | 0 | 0 | 113.2 | V85 T89 L98 S99 E100 P311 | V85-L96 HydrophobicContact CG1-CD2 4.05Å; T89-L96 HydrophobicContact CG2-CD2 4.07Å; T89-L96 HydrophobicContact CG2-CG 4.19Å; L96-L98 VanDerWaalsContact C-N 3.25Å; L96-L98 PolarHBondContact O-N 3.25Å; L96-S99 WeakPolarHBondContact O-CB 3.46Å; L96-S99 PolarHBondContact O-N 2.86Å; L96-E100 PolarHBondContact O-N 3.26Å; L96-P311 PolarHBondContact N-O 3.28Å |
| 97 | S | 96.7 | Very high | 98.1 | Very high | 59 Ų | 59 | 26.4 Ų | 26.4 | 41% | 0.413 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -65.3 | -26.9 | 179.4 | 75 | 0 | 0 | 0 | 0 | 113.8 | P95 R101 | P95-S97 PolarHBondContact O-N 2.81Å; P95-S97 VanDerWaalsContact O-N 3.09Å; S97-R101 VanDerWaalsContact O-CB 3.3Å; S97-R101 WeakPolarHBondContact O-CB 3.48Å; S97-R101 VanDerWaalsContact O-CG 3.29Å; S97-R101 WeakPolarHBondContact O-CG 3.46Å; S97-R101 PolarHBondContact O-N 3.4Å; S97-R101 VanDerWaalsContact O-N 3.17Å; S97-R101 PolarHBondContact O-NE 2.77Å; S97-R101 VanDerWaalsContact O-NE 3.1Å |
| 98 | L | 97.8 | Very high | 98.1 | Very high | 12 Ų | 12 | 27 Ų | 27 | 6% | 0.063 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -83.9 | -40.2 | 176.2 | -170.9 | 69.9 | 0 | 0 | 0 | 110.8 | A94 P95 L96 E100 V102 H103 N273 N274 | A94-L98 HydrophobicContact CB-CD2 4.48Å; P95-L98 HydrophobicContact CB-CB 4.47Å; P95-L98 CarbonylContact O-C 3.46Å; P95-L98 WeakPolarHBondContact O-CA 3.33Å; P95-L98 WeakPolarHBondContact O-CB 3.44Å; P95-L98 PolarHBondContact O-N 2.95Å; L96-L98 VanDerWaalsContact C-N 3.25Å; L96-L98 PolarHBondContact O-N 3.25Å; L98-E100 PolarHBondContact O-N 3.11Å; L98-V102 HydrophobicContact CD1-CB 3.93Å; L98-V102 HydrophobicContact CD1-CG2 3.49Å; L98-V102 VanDerWaalsContact CD1-CG2 3.49Å; L98-V102 HydrophobicContact CG-CB 4.37Å; L98-V102 HydrophobicContact CG-CG2 4.43Å; L98-V102 WeakPolarHBondContact O-CA 3.15Å; L98-V102 WeakPolarHBondContact O-CB 3.31Å; L98-V102 PolarHBondContact O-N 2.82Å; L98-H103 PolarHBondContact O-N 3.29Å; L98-N273 WeakPolarHBondContact CD1-OD1 3.39Å; L98-N274 HydrophobicContact CD2-CB 4.27Å |
| 99 | S | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -53.9 | -42.5 | 172 | -62.1 | 0 | 0 | 0 | 0 | 111.5 | I88 T89 A94 P95 L96 H103 Y104 | I88-S99 WeakPolarHBondContact CG2-OG 3.24Å; T89-S99 WeakPolarHBondContact OG1-CB 3.28Å; T89-S99 PolarHBondContact OG1-OG 2.96Å; A94-S99 WeakPolarHBondContact CB-OG 3.32Å; A94-S99 PolarHBondContact O-OG 2.88Å; P95-S99 PolarHBondContact O-N 2.84Å; P95-S99 PolarHBondContact O-OG 2.77Å; L96-S99 WeakPolarHBondContact O-CB 3.46Å; L96-S99 PolarHBondContact O-N 2.86Å; S99-H103 WeakPolarHBondContact O-CB 3.1Å; S99-H103 PolarHBondContact O-N 2.77Å; S99-Y104 WeakPolarHBondContact O-CB 3.36Å; S99-Y104 PolarHBondContact O-N 3.02Å |
| 100 | E | 98.1 | Very high | 98 | Very high | 79 Ų | 79 | 30.1 Ų | 30.1 | 37% | 0.369 | 15% | 0.148 | S | C | . | . | I | π-helix | trans | -74.4 | -60.9 | 176.5 | -174.8 | -178.2 | 178.1 | 0 | 0 | 112.8 | K81 V85 L96 L98 V102 Q105 | K81-E100 WeakPolarHBondContact CE-OE1 3.36Å; K81-E100 IonicContact NZ-OE1 2.76Å; K81-E100 PolarHBondContact NZ-OE1 3.15Å; V85-E100 HydrophobicContact CG1-CB 4.48Å; V85-E100 HydrophobicContact CG2-CB 3.9Å; V85-E100 HydrophobicContact CG2-CG 4.33Å; L96-E100 PolarHBondContact O-N 3.26Å; L98-E100 PolarHBondContact O-N 3.11Å; E100-V102 VanDerWaalsContact C-N 3.26Å; E100-V102 PolarHBondContact O-N 3.07Å; E100-Q105 PolarHBondContact O-N 3.26Å |
| 101 | R | 97.3 | Very high | 97.9 | Very high | 162 Ų | 162 | 29 Ų | 29 | 61% | 0.611 | 14% | 0.142 | S | C | * | . | I | π-helix | trans | -71.5 | -20.4 | -168.6 | -66 | -177 | -59.3 | 115.2 | 0.8 | 114 | S97 Q105 | S97-R101 VanDerWaalsContact O-CB 3.3Å; S97-R101 WeakPolarHBondContact O-CB 3.48Å; S97-R101 VanDerWaalsContact O-CG 3.29Å; S97-R101 WeakPolarHBondContact O-CG 3.46Å; S97-R101 PolarHBondContact O-N 3.4Å; S97-R101 VanDerWaalsContact O-N 3.17Å; S97-R101 PolarHBondContact O-NE 2.77Å; S97-R101 VanDerWaalsContact O-NE 3.1Å; R101-Q105 WeakPolarHBondContact O-CB 2.93Å |
| 102 | V | 97 | Very high | 97.9 | Very high | 29 Ų | 29 | 30.9 Ų | 30.9 | 18% | 0.176 | 15% | 0.153 | C | C | . | . | I | π-helix | trans | -117.1 | -64 | -178.1 | 178.3 | 0 | 0 | 0 | 0 | 110.6 | L98 E100 Q105 M106 F148 | L98-V102 HydrophobicContact CD1-CB 3.93Å; L98-V102 HydrophobicContact CD1-CG2 3.49Å; L98-V102 VanDerWaalsContact CD1-CG2 3.49Å; L98-V102 HydrophobicContact CG-CB 4.37Å; L98-V102 HydrophobicContact CG-CG2 4.43Å; L98-V102 WeakPolarHBondContact O-CA 3.15Å; L98-V102 WeakPolarHBondContact O-CB 3.31Å; L98-V102 PolarHBondContact O-N 2.82Å; E100-V102 VanDerWaalsContact C-N 3.26Å; E100-V102 PolarHBondContact O-N 3.07Å; V102-Q105 PolarHBondContact O-N 3.03Å; V102-M106 HydrophobicContact CG1-CG 4.44Å; V102-M106 HydrophobicContact CG1-SD 3.71Å; V102-M106 VanDerWaalsContact O-CB 3.24Å; V102-M106 WeakPolarHBondContact O-CB 3.09Å; V102-M106 WeakPolarHBondContact O-CG 3.3Å; V102-M106 PolarHBondContact O-N 3.38Å; V102-F148 HydrophobicContact CG1-CE1 3.96Å |
| 103 | H | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | I | π-helix | trans | -66 | -52.5 | -169.4 | -70.2 | -80.4 | 0 | 0 | 0 | 113.3 | I88 L92 L98 S99 G107 N147 F148 N274 | I88-H103 HydrophobicContact CG1-CB 4.29Å; I88-H103 HydrophobicContact CG2-CB 3.88Å; L92-H103 WeakPolarHBondContact CD2-CE1 3.39Å; L98-H103 PolarHBondContact O-N 3.29Å; S99-H103 WeakPolarHBondContact O-CB 3.1Å; S99-H103 PolarHBondContact O-N 2.77Å; H103-G107 PolarHBondContact O-N 3.24Å; H103-N147 PolarHBondContact CE1-O 2.92Å; H103-F148 AromaticContact CE1-CD1 3.32Å; H103-F148 WeakPolarHBondContact CE1-CD1 3.31Å; H103-F148 AromaticContact CE1-CE1 3.8Å; H103-F148 AromaticContact CE1-CG 3.91Å; H103-F148 AromaticContact ND1-CD1 3.48Å; H103-F148 WeakPolarHBondContact ND1-CD1 3.39Å; H103-N274 PolarHBondContact CE1-OD1 3.39Å; H103-N274 PolarHBondContact NE2-OD1 3.21Å |
| 104 | Y | 98.5 | Very high | 97.6 | Very high | 14 Ų | 14 | 31.7 Ų | 31.7 | 6% | 0.055 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -62.1 | -50.6 | 174 | 161.6 | -97.9 | 0 | 0 | 0 | 111.1 | Y77 K81 I84 S99 M106 G107 L108 | Y77-Y104 HydrophobicContact CD1-CD2 4.29Å; Y77-Y104 AromaticContact CD1-CE2 3.73Å; Y77-Y104 HydrophobicContact CD1-CE2 3.73Å; Y77-Y104 AromaticContact CE1-CD2 3.45Å; Y77-Y104 HydrophobicContact CE1-CD2 3.45Å; Y77-Y104 VanDerWaalsContact CE1-CD2 3.45Å; Y77-Y104 AromaticContact CE1-CE2 3.33Å; Y77-Y104 HydrophobicContact CE1-CE2 3.33Å; Y77-Y104 HydrophobicContact CE1-CG 4.4Å; Y77-Y104 PolarHBondContact OH-O 3.41Å; K81-Y104 HydrophobicContact CB-CD2 4.07Å; K81-Y104 HydrophobicContact CB-CE1 4.37Å; K81-Y104 HydrophobicContact CB-CE2 3.49Å; K81-Y104 VanDerWaalsContact CB-CE2 3.49Å; K81-Y104 HydrophobicContact CD-CD1 4.35Å; K81-Y104 HydrophobicContact CD-CE1 3.81Å; K81-Y104 HydrophobicContact CD-CE2 4.43Å; K81-Y104 HydrophobicContact CG-CD1 4.03Å; K81-Y104 HydrophobicContact CG-CD2 3.94Å; K81-Y104 HydrophobicContact CG-CE1 3.79Å; K81-Y104 HydrophobicContact CG-CE2 3.68Å; K81-Y104 HydrophobicContact CG-CG 4.11Å; I84-Y104 HydrophobicContact CB-CD2 4.44Å; I84-Y104 HydrophobicContact CD1-CD2 4.28Å; I84-Y104 HydrophobicContact CG2-CD2 4.37Å; S99-Y104 WeakPolarHBondContact O-CB 3.36Å; S99-Y104 PolarHBondContact O-N 3.02Å; Y104-M106 VanDerWaalsContact C-N 3.32Å; Y104-M106 PolarHBondContact O-N 3.49Å; Y104-G107 PolarHBondContact O-N 2.92Å; Y104-L108 HydrophobicContact CE1-CD2 4.47Å; Y104-L108 PolarHBondContact O-N 2.82Å |
| 105 | Q | 98.2 | Very high | 97.5 | Very high | 73 Ų | 73 | 34.1 Ų | 34.1 | 34% | 0.341 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61.8 | -38.8 | -174.9 | -170.4 | 61.6 | 59.3 | 0 | 0 | 112.8 | E100 R101 V102 L108 N109 | E100-Q105 PolarHBondContact O-N 3.26Å; R101-Q105 WeakPolarHBondContact O-CB 2.93Å; V102-Q105 PolarHBondContact O-N 3.03Å; Q105-L108 PolarHBondContact O-N 2.96Å; Q105-N109 PolarHBondContact NE2-OD1 3.36Å; Q105-N109 WeakPolarHBondContact O-CB 3.34Å; Q105-N109 PolarHBondContact O-N 3.33Å; Q105-N109 PolarHBondContact O-ND2 3.15Å; Q105-N109 PolarHBondContact O-OD1 2.91Å |
| 106 | M | 96.8 | Very high | 97.4 | Very high | 40 Ų | 40 | 37 Ų | 37 | 20% | 0.197 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.7 | -40.8 | 177.9 | -73.9 | 180 | 82.3 | 0 | 0 | 112.1 | V102 Y104 N109 H110 F148 N151 W456 | V102-M106 HydrophobicContact CG1-CG 4.44Å; V102-M106 HydrophobicContact CG1-SD 3.71Å; V102-M106 VanDerWaalsContact O-CB 3.24Å; V102-M106 WeakPolarHBondContact O-CB 3.09Å; V102-M106 WeakPolarHBondContact O-CG 3.3Å; V102-M106 PolarHBondContact O-N 3.38Å; Y104-M106 VanDerWaalsContact C-N 3.32Å; Y104-M106 PolarHBondContact O-N 3.49Å; M106-N109 PolarHBondContact O-N 2.79Å; M106-H110 PolarHBondContact O-CD2 2.9Å; M106-H110 PolarHBondContact O-N 2.97Å; M106-H110 VanDerWaalsContact O-N 3.11Å; M106-F148 HydrophobicContact SD-CD1 4.34Å; M106-F148 HydrophobicContact SD-CE1 4.42Å; M106-N151 HydrophobicContact CB-CB 4.09Å; M106-N151 WeakPolarHBondContact CB-OD1 3.47Å; M106-N151 HydrophobicContact CE-CB 4.45Å; M106-N151 WeakPolarHBondContact CE-OD1 3.48Å; M106-W456 HydrophobicContact CE-CZ2 4.46Å |
| 107 | G | 97.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.1 | -48.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | H103 Y104 N109 H110 F111 | H103-G107 PolarHBondContact O-N 3.24Å; Y104-G107 PolarHBondContact O-N 2.92Å; G107-N109 PolarHBondContact O-N 3.17Å; G107-H110 PolarHBondContact O-N 2.82Å; G107-F111 VanDerWaalsContact O-CD2 3.3Å; G107-F111 WeakPolarHBondContact O-CD2 3.41Å; G107-F111 PolarHBondContact O-N 3.24Å |
| 108 | L | 98.3 | Very high | 97.2 | Very high | 13 Ų | 13 | 33.3 Ų | 33.3 | 7% | 0.068 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.5 | -47.9 | 174.5 | 179.8 | 57.5 | 0 | 0 | 0 | 111.8 | V74 Y77 E78 Y104 Q105 H110 F111 V112 | V74-L108 HydrophobicContact CG1-CD1 3.88Å; Y77-L108 HydrophobicContact CD1-CB 3.86Å; Y77-L108 HydrophobicContact CD1-CD1 4.02Å; Y77-L108 HydrophobicContact CD1-CG 4.47Å; Y77-L108 HydrophobicContact CE1-CB 3.67Å; E78-L108 HydrophobicContact CG-CD1 3.89Å; E78-L108 HydrophobicContact CG-CD2 4.01Å; Y104-L108 HydrophobicContact CE1-CD2 4.47Å; Y104-L108 PolarHBondContact O-N 2.82Å; Q105-L108 PolarHBondContact O-N 2.96Å; L108-H110 PolarHBondContact O-N 2.94Å; L108-F111 PolarHBondContact O-N 2.83Å; L108-V112 HydrophobicContact CD1-CG2 4.23Å; L108-V112 HydrophobicContact CG-CG2 4.47Å; L108-V112 WeakPolarHBondContact O-CG2 3.24Å; L108-V112 PolarHBondContact O-N 2.98Å |
| 109 | N | 97.4 | Very high | 97.1 | Very high | 59 Ų | 59 | 37 Ų | 37 | 32% | 0.316 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -58.1 | -36.2 | -178.7 | -73 | -5.8 | 0 | 0 | 0 | 112.5 | Q105 M106 G107 A113 P440 | Q105-N109 PolarHBondContact NE2-OD1 3.36Å; Q105-N109 WeakPolarHBondContact O-CB 3.34Å; Q105-N109 PolarHBondContact O-N 3.33Å; Q105-N109 PolarHBondContact O-ND2 3.15Å; Q105-N109 PolarHBondContact O-OD1 2.91Å; M106-N109 PolarHBondContact O-N 2.79Å; G107-N109 PolarHBondContact O-N 3.17Å; N109-A113 WeakPolarHBondContact O-CB 3.36Å; N109-A113 PolarHBondContact O-N 2.92Å; N109-P440 HydrophobicContact CB-CG 4.34Å |
| 110 | H | 97.2 | Very high | 96.7 | Very high | 9 Ų | 9 | 44 Ų | 44 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -71.4 | -39.5 | 179.3 | -78.8 | -55.6 | 0 | 0 | 0 | 113.5 | M106 G107 L108 A113 A114 N151 L155 W456 | M106-H110 PolarHBondContact O-CD2 2.9Å; M106-H110 PolarHBondContact O-N 2.97Å; M106-H110 VanDerWaalsContact O-N 3.11Å; G107-H110 PolarHBondContact O-N 2.82Å; L108-H110 PolarHBondContact O-N 2.94Å; H110-A113 PolarHBondContact O-N 3.41Å; H110-A114 WeakPolarHBondContact O-CB 3.28Å; H110-A114 PolarHBondContact O-N 3.27Å; H110-N151 PolarHBondContact CD2-OD1 3.47Å; H110-N151 PolarHBondContact NE2-OD1 2.84Å; H110-L155 HydrophobicContact CB-CB 4.12Å; H110-W456 AromaticContact CE1-CD1 3.28Å; H110-W456 AromaticContact CE1-CD2 3.63Å; H110-W456 AromaticContact CE1-CE2 3.49Å; H110-W456 VanDerWaalsContact CE1-CE2 3.49Å; H110-W456 AromaticContact CE1-CG 3.52Å; H110-W456 AromaticContact CE1-NE1 3.28Å; H110-W456 PolarHBondContact CE1-NE1 2.75Å; H110-W456 VanDerWaalsContact CE1-NE1 3.28Å; H110-W456 AromaticContact NE2-CE2 3.82Å; H110-W456 AromaticContact NE2-NE1 3.59Å |
| 111 | F | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.4 | -41.1 | 173.5 | -71 | -64.1 | 0 | 0 | 0 | 111.7 | L70 I73 V74 Y77 G107 L108 R115 S154 L157 A158 L182 F186 | L70-F111 HydrophobicContact CD2-CD1 4Å; I73-F111 HydrophobicContact CG2-CD1 3.7Å; I73-F111 HydrophobicContact CG2-CD2 4.03Å; I73-F111 HydrophobicContact CG2-CE1 3.78Å; I73-F111 HydrophobicContact CG2-CE2 4.1Å; I73-F111 HydrophobicContact CG2-CG 3.84Å; I73-F111 HydrophobicContact CG2-CZ 3.99Å; V74-F111 HydrophobicContact CG2-CB 3.65Å; Y77-F111 HydrophobicContact CD2-CD2 4.18Å; Y77-F111 AromaticContact CD2-CE2 3.98Å; Y77-F111 HydrophobicContact CD2-CE2 3.98Å; Y77-F111 HydrophobicContact CE2-CE2 4.22Å; G107-F111 VanDerWaalsContact O-CD2 3.3Å; G107-F111 WeakPolarHBondContact O-CD2 3.41Å; G107-F111 PolarHBondContact O-N 3.24Å; L108-F111 PolarHBondContact O-N 2.83Å; F111-R115 WeakPolarHBondContact O-CB 3.49Å; F111-R115 PolarHBondContact O-N 3.08Å; F111-S154 VanDerWaalsContact CE2-CB 3.47Å; F111-S154 WeakPolarHBondContact CE2-OG 3.42Å; F111-L157 HydrophobicContact CE1-CB 4.33Å; F111-L157 HydrophobicContact CZ-CB 4.42Å; F111-A158 HydrophobicContact CD1-CB 3.59Å; F111-A158 HydrophobicContact CE1-CB 3.92Å; F111-A158 HydrophobicContact CG-CB 4.33Å; F111-L182 HydrophobicContact CE2-CD2 4.01Å; F111-L182 HydrophobicContact CZ-CD2 4.23Å; F111-F186 HydrophobicContact CE1-CE1 4.36Å; F111-F186 HydrophobicContact CE1-CZ 4.26Å; F111-F186 HydrophobicContact CZ-CE1 4.1Å; F111-F186 AromaticContact CZ-CZ 3.9Å; F111-F186 HydrophobicContact CZ-CZ 3.9Å |
| 112 | V | 97.3 | Very high | 96.5 | Very high | 39 Ų | 39 | 40.2 Ų | 40.2 | 24% | 0.236 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.2 | -50.3 | 174.1 | 168.8 | 0 | 0 | 0 | 0 | 110.9 | V74 L108 A114 R115 D116 | V74-V112 HydrophobicContact CG1-CG2 3.9Å; V74-V112 HydrophobicContact CG2-CG2 3.84Å; L108-V112 HydrophobicContact CD1-CG2 4.23Å; L108-V112 HydrophobicContact CG-CG2 4.47Å; L108-V112 WeakPolarHBondContact O-CG2 3.24Å; L108-V112 PolarHBondContact O-N 2.98Å; V112-A114 PolarHBondContact O-N 3.32Å; V112-R115 WeakPolarHBondContact O-CB 3.34Å; V112-R115 PolarHBondContact O-N 3.22Å; V112-D116 WeakPolarHBondContact CG1-OD2 3.45Å; V112-D116 WeakPolarHBondContact O-CB 3.26Å; V112-D116 PolarHBondContact O-N 2.96Å |
| 113 | A | 96.1 | Very high | 96.5 | Very high | 15 Ų | 15 | 40 Ų | 40 | 12% | 0.124 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.1 | -41.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N109 H110 D116 A117 P440 | N109-A113 WeakPolarHBondContact O-CB 3.36Å; N109-A113 PolarHBondContact O-N 2.92Å; H110-A113 PolarHBondContact O-N 3.41Å; A113-D116 PolarHBondContact O-N 3.49Å; A113-A117 VanDerWaalsContact O-CB 3.25Å; A113-A117 WeakPolarHBondContact O-CB 3.14Å; A113-A117 PolarHBondContact O-N 3.33Å; A113-P440 HydrophobicContact CB-CB 3.79Å; A113-P440 HydrophobicContact CB-CG 3.89Å |
| 114 | A | 95.9 | Very high | 96.5 | Very high | 6 Ų | 6 | 45.5 Ų | 45.5 | 5% | 0.05 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66 | -39.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | L70 H110 V112 D116 L118 A158 A162 | L70-A114 HydrophobicContact CD1-CB 4.19Å; H110-A114 WeakPolarHBondContact O-CB 3.28Å; H110-A114 PolarHBondContact O-N 3.27Å; V112-A114 PolarHBondContact O-N 3.32Å; A114-D116 VanDerWaalsContact C-N 3.35Å; A114-L118 WeakPolarHBondContact O-CG 3.23Å; A114-L118 PolarHBondContact O-N 3.42Å; A114-A158 HydrophobicContact CB-CB 3.66Å; A114-A162 HydrophobicContact CB-CB 4.31Å |
| 115 | R | 96 | Very high | 96.5 | Very high | 52 Ų | 52 | 48.4 Ų | 48.4 | 20% | 0.196 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.7 | -44.8 | 174.8 | -178 | -161.9 | 65.2 | -162 | -9.6 | 111.3 | Q67 L70 D71 F111 V112 | Q67-R115 HydrophobicContact CG-CG 3.73Å; Q67-R115 PolarHBondContact NE2-O 3.22Å; L70-R115 HydrophobicContact CB-CB 3.89Å; L70-R115 HydrophobicContact CB-CG 4.26Å; L70-R115 HydrophobicContact CD1-CB 4.4Å; D71-R115 IonicContact OD1-NH1 3.58Å; D71-R115 PolarHBondContact OD1-NH1 2.96Å; D71-R115 VanDerWaalsContact OD1-NH1 3.17Å; F111-R115 WeakPolarHBondContact O-CB 3.49Å; F111-R115 PolarHBondContact O-N 3.08Å; V112-R115 WeakPolarHBondContact O-CB 3.34Å; V112-R115 PolarHBondContact O-N 3.22Å |
| 116 | D | 95.8 | Very high | 96.5 | Very high | 66 Ų | 66 | 52 Ų | 52 | 35% | 0.353 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -77.5 | -32.8 | -174.8 | -63.3 | -5.7 | 0 | 0 | 0 | 111.4 | V112 A113 A114 L118 D119 | V112-D116 WeakPolarHBondContact CG1-OD2 3.45Å; V112-D116 WeakPolarHBondContact O-CB 3.26Å; V112-D116 PolarHBondContact O-N 2.96Å; A113-D116 PolarHBondContact O-N 3.49Å; A114-D116 VanDerWaalsContact C-N 3.35Å; D116-L118 PolarHBondContact O-N 2.86Å; D116-D119 WeakPolarHBondContact O-CB 3.5Å; D116-D119 PolarHBondContact O-N 2.9Å; D116-D119 VanDerWaalsContact O-N 3.11Å |
| 117 | A | 95.6 | Very high | 96.5 | Very high | 25 Ų | 25 | 56.9 Ų | 56.9 | 21% | 0.207 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.3 | -34.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A113 D119 N120 Y121 I461 | A113-A117 VanDerWaalsContact O-CB 3.25Å; A113-A117 WeakPolarHBondContact O-CB 3.14Å; A113-A117 PolarHBondContact O-N 3.33Å; A117-D119 PolarHBondContact O-N 2.91Å; A117-D119 VanDerWaalsContact O-N 3.15Å; A117-N120 PolarHBondContact O-N 3.38Å; A117-Y121 WeakPolarHBondContact O-CB 3.37Å; A117-Y121 PolarHBondContact O-N 2.93Å; A117-Y121 VanDerWaalsContact O-N 3.07Å; A117-I461 HydrophobicContact CB-CD1 4.02Å |
| 118 | L | 96.6 | Very high | 96.5 | Very high | 6 Ų | 6 | 59.6 Ų | 59.6 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -14.5 | 178.3 | -69.7 | 178.4 | 0 | 0 | 0 | 114.4 | V63 R66 Q67 L70 A114 D116 N120 F123 A162 I461 | V63-L118 HydrophobicContact CG1-CB 3.92Å; V63-L118 HydrophobicContact CG1-CD2 4.21Å; V63-L118 HydrophobicContact CG1-CG 4.45Å; R66-L118 HydrophobicContact CB-CD1 4.29Å; Q67-L118 HydrophobicContact CB-CB 4.48Å; Q67-L118 HydrophobicContact CB-CD1 3.9Å; Q67-L118 HydrophobicContact CG-CB 4.46Å; Q67-L118 HydrophobicContact CG-CD1 4.45Å; L70-L118 HydrophobicContact CD1-CD1 3.95Å; A114-L118 WeakPolarHBondContact O-CG 3.23Å; A114-L118 PolarHBondContact O-N 3.42Å; D116-L118 PolarHBondContact O-N 2.86Å; L118-N120 VanDerWaalsContact C-N 3.31Å; L118-F123 HydrophobicContact CD2-CE2 3.73Å; L118-F123 HydrophobicContact CD2-CZ 3.89Å; L118-A162 HydrophobicContact CD1-CB 4.17Å; L118-A162 HydrophobicContact CD2-CB 4.07Å; L118-A162 HydrophobicContact CG-CB 4.21Å; L118-I461 HydrophobicContact CD2-CD1 4.49Å |
| 119 | D | 94.3 | Very high | 96.5 | Very high | 91 Ų | 91 | 62.2 Ų | 62.2 | 49% | 0.487 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -31.3 | 176 | -77.4 | -33.1 | 0 | 0 | 0 | 112.8 | K64 Q67 D116 A117 | K64-D119 IonicContact NZ-OD1 2.75Å; Q67-D119 VanDerWaalsContact NE2-CG 3.34Å; Q67-D119 PolarHBondContact NE2-OD1 3.06Å; D116-D119 WeakPolarHBondContact O-CB 3.5Å; D116-D119 PolarHBondContact O-N 2.9Å; D116-D119 VanDerWaalsContact O-N 3.11Å; A117-D119 PolarHBondContact O-N 2.91Å; A117-D119 VanDerWaalsContact O-N 3.15Å |
| 120 | N | 91 | Very high | 96.5 | Very high | 145 Ų | 145 | 62.6 Ų | 62.6 | 78% | 0.775 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.1 | -1.2 | -175 | -57.2 | -67.3 | 0 | 0 | 0 | 113.5 | A117 L118 E122 | A117-N120 PolarHBondContact O-N 3.38Å; L118-N120 VanDerWaalsContact C-N 3.31Å; N120-E122 PolarHBondContact O-N 3.47Å |
| 121 | Y | 95.8 | Very high | 96.6 | Very high | 25 Ų | 25 | 62.4 Ų | 62.4 | 10% | 0.098 | 32% | 0.316 | C | S | . | . | trans | -75.2 | 118.8 | -178.3 | -167.2 | -83.2 | 0 | 0 | 0 | 111.7 | A117 F123 K134 D458 E462 L465 | A117-Y121 WeakPolarHBondContact O-CB 3.37Å; A117-Y121 PolarHBondContact O-N 2.93Å; A117-Y121 VanDerWaalsContact O-N 3.07Å; Y121-F123 HydrophobicContact CD1-CD1 4.36Å; Y121-F123 AromaticContact CD1-CD2 3.6Å; Y121-F123 HydrophobicContact CD1-CD2 3.6Å; Y121-F123 HydrophobicContact CD1-CE1 4.22Å; Y121-F123 AromaticContact CD1-CE2 3.42Å; Y121-F123 HydrophobicContact CD1-CE2 3.42Å; Y121-F123 VanDerWaalsContact CD1-CE2 3.42Å; Y121-F123 HydrophobicContact CD1-CG 4.07Å; Y121-F123 AromaticContact CD1-CZ 3.76Å; Y121-F123 HydrophobicContact CD1-CZ 3.76Å; Y121-F123 HydrophobicContact CE1-CD1 4.16Å; Y121-F123 HydrophobicContact CE1-CD2 4.2Å; Y121-F123 HydrophobicContact CE1-CE1 4.08Å; Y121-F123 HydrophobicContact CE1-CE2 4.11Å; Y121-F123 HydrophobicContact CE1-CG 4.22Å; Y121-F123 HydrophobicContact CE1-CZ 4.05Å; Y121-F123 HydrophobicContact CG-CE2 4.28Å; Y121-F123 PolarHBondContact O-N 3.32Å; Y121-K134 HydrophobicContact CE1-CD 4.02Å; Y121-K134 VanDerWaalsContact OH-CD 3.3Å; Y121-K134 WeakPolarHBondContact OH-CD 3.35Å; Y121-K134 PolarHBondContact OH-NZ 2.95Å; Y121-D458 HydrophobicContact CD2-CB 3.69Å; Y121-D458 HydrophobicContact CE2-CB 3.81Å; Y121-E462 HydrophobicContact CE2-CG 4.15Å; Y121-E462 WeakPolarHBondContact OH-CG 2.91Å; Y121-E462 PolarHBondContact OH-OE1 3.16Å; Y121-L465 HydrophobicContact CE1-CD1 3.88Å; Y121-L465 WeakPolarHBondContact OH-CD1 3.2Å | ||
| 122 | E | 95.6 | Very high | 96.6 | Very high | 138 Ų | 138 | 63.3 Ų | 63.3 | 65% | 0.645 | 32% | 0.321 | S | S | * | . | trans | -85.9 | 105.1 | 178.4 | -63.8 | -173.3 | 159 | 0 | 0 | 111.1 | N120 E124 | N120-E122 PolarHBondContact O-N 3.47Å; E122-E124 VanDerWaalsContact C-N 3.32Å | ||
| 123 | F | 97.6 | Very high | 96.7 | Very high | 24 Ų | 24 | 62 Ų | 62 | 11% | 0.105 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -78.9 | -17.1 | 170.6 | -73.8 | -91.5 | 0 | 0 | 0 | 112.7 | V63 R66 L118 Y121 V133 K134 I461 L465 | V63-F123 HydrophobicContact CG2-CD2 3.65Å; V63-F123 HydrophobicContact CG2-CE2 3.78Å; R66-F123 VanDerWaalsContact NH2-CZ 3.32Å; L118-F123 HydrophobicContact CD2-CE2 3.73Å; L118-F123 HydrophobicContact CD2-CZ 3.89Å; Y121-F123 HydrophobicContact CD1-CD1 4.36Å; Y121-F123 AromaticContact CD1-CD2 3.6Å; Y121-F123 HydrophobicContact CD1-CD2 3.6Å; Y121-F123 HydrophobicContact CD1-CE1 4.22Å; Y121-F123 AromaticContact CD1-CE2 3.42Å; Y121-F123 HydrophobicContact CD1-CE2 3.42Å; Y121-F123 VanDerWaalsContact CD1-CE2 3.42Å; Y121-F123 HydrophobicContact CD1-CG 4.07Å; Y121-F123 AromaticContact CD1-CZ 3.76Å; Y121-F123 HydrophobicContact CD1-CZ 3.76Å; Y121-F123 HydrophobicContact CE1-CD1 4.16Å; Y121-F123 HydrophobicContact CE1-CD2 4.2Å; Y121-F123 HydrophobicContact CE1-CE1 4.08Å; Y121-F123 HydrophobicContact CE1-CE2 4.11Å; Y121-F123 HydrophobicContact CE1-CG 4.22Å; Y121-F123 HydrophobicContact CE1-CZ 4.05Å; Y121-F123 HydrophobicContact CG-CE2 4.28Å; Y121-F123 PolarHBondContact O-N 3.32Å; F123-V133 CarbonylContact O-C 3.55Å; F123-V133 WeakPolarHBondContact O-CA 3.23Å; F123-K134 HydrophobicContact CD1-CB 4.44Å; F123-K134 PolarHBondContact O-N 3.21Å; F123-I461 HydrophobicContact CZ-CG2 4.43Å; F123-L465 HydrophobicContact CD1-CD1 4.33Å; F123-L465 HydrophobicContact CD1-CD2 4.33Å; F123-L465 HydrophobicContact CE1-CD1 3.93Å; F123-L465 HydrophobicContact CE1-CD2 3.9Å |
| 124 | E | 97.7 | Very high | 96.8 | Very high | 115 Ų | 115 | 63.7 Ų | 63.7 | 54% | 0.537 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 133 | -179.1 | -69.6 | -171.8 | 177.2 | 0 | 0 | 110.2 | E122 L131 V132 V133 | E122-E124 VanDerWaalsContact C-N 3.32Å; E124-L131 HydrophobicContact CB-CD1 4.16Å; E124-V132 CarbonylContact C-O 3.47Å; E124-V132 VanDerWaalsContact CA-O 3.29Å; E124-V132 WeakPolarHBondContact CA-O 3.15Å; E124-V133 HydrophobicContact CG-CG1 4.15Å; E124-V133 HydrophobicContact CG-CG2 4.25Å |
| 125 | E | 97.5 | Very high | 96.9 | Very high | 75 Ų | 75 | 65.3 Ų | 65.3 | 35% | 0.35 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 120.6 | 179.2 | -175.7 | -160.6 | 156.9 | 0 | 0 | 109.5 | R127 V132 | E125-R127 VanDerWaalsContact CD-NE 3.25Å; E125-R127 HydrophobicContact CG-CG 4.41Å; E125-R127 IonicContact OE1-CZ 2.79Å; E125-R127 IonicContact OE1-NE 3.49Å; E125-R127 PolarHBondContact OE1-NE 3.24Å; E125-R127 IonicContact OE1-NH2 3.59Å; E125-R127 PolarHBondContact OE1-NH2 3.19Å; E125-R127 IonicContact OE2-CZ 2.61Å; E125-R127 IonicContact OE2-NE 2.67Å; E125-R127 PolarHBondContact OE2-NE 3.19Å; E125-R127 IonicContact OE2-NH2 2.69Å; E125-R127 PolarHBondContact OE2-NH2 2.91Å; E125-V132 HydrophobicContact CB-CB 4.33Å; E125-V132 PolarHBondContact N-O 3.4Å; E125-V132 PolarHBondContact O-N 3.18Å |
| 126 | R | 98 | Very high | 97 | Very high | 150 Ų | 150 | 63 Ų | 63 | 57% | 0.566 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 127.9 | 173.1 | 175.3 | 171.5 | -179.4 | 174.8 | 5.4 | 110.7 | G128 F474 | R126-G128 PolarHBondContact NE-O 2.85Å; R126-G128 PolarHBondContact NH2-O 3.42Å; R126-F474 HydrophobicContact CB-CE2 3.82Å; R126-F474 HydrophobicContact CB-CZ 4.24Å; R126-F474 HydrophobicContact CG-CD2 3.83Å; R126-F474 HydrophobicContact CG-CE2 3.47Å; R126-F474 VanDerWaalsContact CG-CE2 3.47Å; R126-F474 HydrophobicContact CG-CZ 4.19Å |
| 127 | R | 97.3 | Very high | 97.1 | Very high | 142 Ų | 142 | 60 Ų | 60 | 54% | 0.536 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 94.5 | 172.9 | -66.5 | -172.3 | 179.6 | 172.9 | 7.3 | 110.3 | E125 D129 D130 V132 | E125-R127 VanDerWaalsContact CD-NE 3.25Å; E125-R127 HydrophobicContact CG-CG 4.41Å; E125-R127 IonicContact OE1-CZ 2.79Å; E125-R127 IonicContact OE1-NE 3.49Å; E125-R127 PolarHBondContact OE1-NE 3.24Å; E125-R127 IonicContact OE1-NH2 3.59Å; E125-R127 PolarHBondContact OE1-NH2 3.19Å; E125-R127 IonicContact OE2-CZ 2.61Å; E125-R127 IonicContact OE2-NE 2.67Å; E125-R127 PolarHBondContact OE2-NE 3.19Å; E125-R127 IonicContact OE2-NH2 2.69Å; E125-R127 PolarHBondContact OE2-NH2 2.91Å; R127-D129 PolarHBondContact O-N 2.98Å; R127-D130 PolarHBondContact N-O 2.78Å; R127-D130 WeakPolarHBondContact O-CB 3.49Å; R127-D130 PolarHBondContact O-N 3.11Å; R127-V132 HydrophobicContact CG-CG2 4.48Å |
| 128 | G | 97.3 | Very high | 97.2 | Very high | 56 Ų | 56 | 58.8 Ų | 58.8 | 58% | 0.577 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | -118 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R126 | R126-G128 PolarHBondContact NE-O 2.85Å; R126-G128 PolarHBondContact NH2-O 3.42Å |
| 129 | D | 98.2 | Very high | 97.3 | Very high | 69 Ų | 69 | 58.5 Ų | 58.5 | 37% | 0.369 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 1.2 | 174.3 | -63.7 | -26.9 | 0 | 0 | 0 | 113 | R127 G472 Y473 F474 K475 | R127-D129 PolarHBondContact O-N 2.98Å; D129-G472 CarbonylContact O-C 3.48Å; D129-G472 VanDerWaalsContact O-C 3.31Å; D129-G472 WeakPolarHBondContact O-CA 3.3Å; D129-Y473 PolarHBondContact O-N 2.76Å; D129-F474 PolarHBondContact O-N 2.95Å; D129-K475 HydrophobicContact CB-CG 3.71Å; D129-K475 WeakPolarHBondContact OD2-CE 3.32Å |
| 130 | D | 98.6 | Very high | 97.6 | Very high | 67 Ų | 67 | 54.2 Ų | 54.2 | 36% | 0.358 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 160 | -174.9 | -48.9 | -42.3 | 0 | 0 | 0 | 111.1 | R127 I470 A471 G472 | R127-D130 PolarHBondContact N-O 2.78Å; R127-D130 WeakPolarHBondContact O-CB 3.49Å; R127-D130 PolarHBondContact O-N 3.11Å; D130-I470 WeakPolarHBondContact CA-O 3.5Å; D130-A471 WeakPolarHBondContact OD1-CA 3.29Å; D130-G472 PolarHBondContact OD1-N 3.29Å |
| 131 | L | 98.6 | Very high | 97.9 | Very high | 5 Ų | 5 | 47.3 Ų | 47.3 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 134.5 | 175.7 | -175.6 | 66 | 0 | 0 | 0 | 110.1 | E124 V133 S469 I470 Y473 F474 | E124-L131 HydrophobicContact CB-CD1 4.16Å; L131-V133 HydrophobicContact CD2-CG2 3.59Å; L131-V133 HydrophobicContact CG-CG2 3.74Å; L131-S469 CarbonylContact O-C 3.4Å; L131-I470 HydrophobicContact CB-CB 4.47Å; L131-I470 PolarHBondContact N-O 2.71Å; L131-I470 PolarHBondContact O-N 2.87Å; L131-Y473 HydrophobicContact CB-CD1 4.07Å; L131-Y473 HydrophobicContact CB-CD2 4.29Å; L131-Y473 HydrophobicContact CB-CG 3.79Å; L131-Y473 HydrophobicContact CD2-CD1 3.91Å; L131-Y473 HydrophobicContact CD2-CD2 3.93Å; L131-Y473 HydrophobicContact CD2-CE1 3.81Å; L131-Y473 HydrophobicContact CD2-CE2 3.81Å; L131-Y473 HydrophobicContact CD2-CG 3.97Å; L131-F474 HydrophobicContact CB-CE2 4.1Å; L131-F474 HydrophobicContact CD1-CE2 4.1Å; L131-F474 HydrophobicContact CD1-CZ 4.05Å |
| 132 | V | 98.6 | Very high | 98.1 | Very high | 19 Ų | 19 | 46.1 Ų | 46.1 | 12% | 0.115 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 129.5 | 164 | -179.8 | 0 | 0 | 0 | 0 | 107.8 | E124 E125 R127 V467 K468 | E124-V132 CarbonylContact C-O 3.47Å; E124-V132 VanDerWaalsContact CA-O 3.29Å; E124-V132 WeakPolarHBondContact CA-O 3.15Å; E125-V132 HydrophobicContact CB-CB 4.33Å; E125-V132 PolarHBondContact N-O 3.4Å; E125-V132 PolarHBondContact O-N 3.18Å; R127-V132 HydrophobicContact CG-CG2 4.48Å; V132-V467 HydrophobicContact CG1-CG1 3.61Å; V132-K468 CarbonylContact C-O 3.55Å; V132-K468 WeakPolarHBondContact CA-O 3.5Å |
| 133 | V | 98.2 | Very high | 98.2 | Very high | 11 Ų | 11 | 40.2 Ų | 40.2 | 7% | 0.067 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 138.5 | 178.8 | -172.1 | 0 | 0 | 0 | 0 | 109.1 | F123 E124 L131 E135 K468 I470 | F123-V133 CarbonylContact O-C 3.55Å; F123-V133 WeakPolarHBondContact O-CA 3.23Å; E124-V133 HydrophobicContact CG-CG1 4.15Å; E124-V133 HydrophobicContact CG-CG2 4.25Å; L131-V133 HydrophobicContact CD2-CG2 3.59Å; L131-V133 HydrophobicContact CG-CG2 3.74Å; V133-E135 HydrophobicContact CG1-CG 3.69Å; V133-K468 PolarHBondContact N-O 3.33Å; V133-K468 PolarHBondContact O-N 2.67Å; V133-I470 HydrophobicContact CG2-CD1 3.94Å |
| 134 | K | 98.4 | Very high | 98.3 | Very high | 51 Ų | 51 | 39.3 Ų | 39.3 | 22% | 0.222 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 117.1 | 169 | -54.3 | -176.3 | -176.7 | 178.2 | 0 | 108.8 | Y121 F123 E462 L465 E466 V467 | Y121-K134 HydrophobicContact CE1-CD 4.02Å; Y121-K134 VanDerWaalsContact OH-CD 3.3Å; Y121-K134 WeakPolarHBondContact OH-CD 3.35Å; Y121-K134 PolarHBondContact OH-NZ 2.95Å; F123-K134 HydrophobicContact CD1-CB 4.44Å; F123-K134 PolarHBondContact O-N 3.21Å; K134-E462 IonicContact NZ-OE1 3.78Å; K134-E462 PolarHBondContact NZ-OE1 3.03Å; K134-L465 HydrophobicContact CB-CB 4.32Å; K134-L465 HydrophobicContact CB-CD1 3.96Å; K134-L465 HydrophobicContact CD-CD1 4.23Å; K134-E466 CarbonylContact C-O 3.52Å; K134-E466 WeakPolarHBondContact CA-O 3.47Å; K134-V467 HydrophobicContact CG-CG2 4.45Å |
| 135 | E | 98 | Very high | 98.3 | Very high | 39 Ų | 39 | 34.6 Ų | 34.6 | 18% | 0.182 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 147 | -176.8 | -61.5 | 178.6 | 179.3 | 0 | 0 | 111.1 | R59 V133 I137 L465 E466 K468 | R59-E135 IonicContact NH1-OE2 3.5Å; R59-E135 PolarHBondContact NH1-OE2 3.43Å; V133-E135 HydrophobicContact CG1-CG 3.69Å; E135-I137 PolarHBondContact O-N 2.83Å; E135-L465 CarbonylContact O-C 3.54Å; E135-L465 VanDerWaalsContact O-CA 3.31Å; E135-L465 WeakPolarHBondContact O-CA 3.4Å; E135-E466 PolarHBondContact N-O 3.05Å; E135-E466 PolarHBondContact O-N 2.92Å; E135-K468 IonicContact OE1-NZ 3.49Å; E135-K468 PolarHBondContact OE1-NZ 2.77Å; E135-K468 IonicContact OE2-NZ 3.17Å; E135-K468 PolarHBondContact OE2-NZ 3.08Å |
| 136 | A | 98.4 | Very high | 98.4 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 3% | 0.025 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -51 | 131.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R59 G138 A163 G164 F464 | R59-A136 HydrophobicContact CB-CB 4Å; R59-A136 HydrophobicContact CG-CB 3.95Å; R59-A136 PolarHBondContact NE-O 3.01Å; R59-A136 PolarHBondContact NH2-O 3.39Å; A136-G138 PolarHBondContact O-N 3.21Å; A136-G138 VanDerWaalsContact O-N 3.17Å; A136-A163 VanDerWaalsContact CB-O 3.24Å; A136-A163 WeakPolarHBondContact CB-O 3.31Å; A136-G164 VanDerWaalsContact CB-C 3.44Å; A136-G164 WeakPolarHBondContact CB-O 2.92Å; A136-F464 CarbonylContact C-O 3.31Å; A136-F464 WeakPolarHBondContact CA-O 3.29Å |
| 137 | I | 98.1 | Very high | 98.4 | Very high | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.015 | 14% | 0.137 | C | C | . | . | trans | -60.8 | -31.5 | -174.3 | -168.3 | 152.1 | 0 | 0 | 0 | 112.8 | E135 R217 M218 K241 F464 E466 | E135-I137 PolarHBondContact O-N 2.83Å; I137-R217 HydrophobicContact CG1-CB 4.08Å; I137-R217 WeakPolarHBondContact O-CD 3.29Å; I137-R217 PolarHBondContact O-NH1 2.91Å; I137-M218 HydrophobicContact CD1-CB 4Å; I137-M218 HydrophobicContact CD1-CG 4.43Å; I137-M218 HydrophobicContact CG1-CB 4.39Å; I137-M218 HydrophobicContact CG2-CB 3.84Å; I137-K241 HydrophobicContact CD1-CB 3.68Å; I137-K241 HydrophobicContact CD1-CD 3.71Å; I137-K241 HydrophobicContact CD1-CG 4.35Å; I137-F464 WeakPolarHBondContact CG2-O 3.31Å; I137-F464 PolarHBondContact N-O 3.42Å; I137-E466 HydrophobicContact CB-CG 4.21Å; I137-E466 HydrophobicContact CD1-CG 4.21Å; I137-E466 VanDerWaalsContact CD1-OE1 3.31Å; I137-E466 WeakPolarHBondContact CD1-OE1 3.42Å; I137-E466 HydrophobicContact CG1-CG 3.87Å | ||
| 138 | G | 98.3 | Very high | 98.5 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | S | Bend | trans | 119.6 | -155 | -174.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | A136 S140 S165 | A136-G138 PolarHBondContact O-N 3.21Å; A136-G138 VanDerWaalsContact O-N 3.17Å; G138-S140 PolarHBondContact O-N 2.83Å; G138-S165 PolarHBondContact O-OG 3.26Å |
| 139 | V | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.006 | 9% | 0.088 | C | C | . | . | trans | -59.8 | 125.7 | -176.3 | -175.2 | 0 | 0 | 0 | 0 | 112 | V48 A51 D52 P166 V168 V216 R217 M218 | V48-V139 HydrophobicContact CG1-CG1 4.33Å; A51-V139 HydrophobicContact CB-CB 4.39Å; A51-V139 HydrophobicContact CB-CG1 3.7Å; A51-V139 HydrophobicContact CB-CG2 3.83Å; D52-V139 HydrophobicContact CB-CG2 3.96Å; V139-P166 WeakPolarHBondContact CA-O 3.49Å; V139-P166 HydrophobicContact CG2-CG 4.29Å; V139-V168 HydrophobicContact CG1-CG2 4.44Å; V139-V216 HydrophobicContact CG1-CG2 4.25Å; V139-R217 PolarHBondContact O-N 3.47Å; V139-M218 PolarHBondContact O-N 2.83Å | ||
| 140 | S | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 127 | 177.1 | -65.5 | 0 | 0 | 0 | 0 | 112 | G138 S165 P166 V167 V168 M218 F464 | G138-S140 PolarHBondContact O-N 2.83Å; S140-S165 PolarHBondContact OG-OG 3.3Å; S140-P166 PolarHBondContact N-O 3.46Å; S140-V167 VanDerWaalsContact O-CA 3.28Å; S140-V167 WeakPolarHBondContact O-CA 3.02Å; S140-V168 PolarHBondContact O-N 2.99Å; S140-M218 CarbonylContact C-O 3.59Å; S140-M218 WeakPolarHBondContact CA-O 3.31Å; S140-F464 WeakPolarHBondContact OG-CD1 3.26Å |
| 141 | G | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 125.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | M218 M219 S220 | G141-M218 PolarHBondContact N-O 3.17Å; G141-M219 WeakPolarHBondContact O-CA 3.2Å; G141-S220 PolarHBondContact O-N 2.96Å |
| 142 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 124.1 | -179.2 | -48.7 | -178 | 0 | 0 | 0 | 109.6 | K156 L157 V167 V168 L169 K170 S220 F464 | L142-K156 HydrophobicContact CB-CD 4.39Å; L142-K156 HydrophobicContact CD1-CB 3.9Å; L142-K156 HydrophobicContact CD2-CB 4.18Å; L142-K156 HydrophobicContact CD2-CD 4.45Å; L142-L157 HydrophobicContact CD1-CD2 3.75Å; L142-L157 HydrophobicContact CD1-CG 4.23Å; L142-V167 HydrophobicContact CD1-CB 3.92Å; L142-V167 HydrophobicContact CD1-CG1 3.92Å; L142-V167 HydrophobicContact CD1-CG2 4.31Å; L142-V167 HydrophobicContact CG-CB 4.21Å; L142-V167 HydrophobicContact CG-CG1 4.32Å; L142-V168 PolarHBondContact N-O 2.96Å; L142-L169 HydrophobicContact CB-CD1 3.81Å; L142-L169 WeakPolarHBondContact O-CA 3.15Å; L142-K170 PolarHBondContact O-N 3.18Å; L142-S220 WeakPolarHBondContact CA-O 3.48Å; L142-F464 HydrophobicContact CD2-CE1 3.85Å; L142-F464 HydrophobicContact CD2-CZ 4Å |
| 143 | I | 98.9 | Very high | 98.1 | Very high | 14 Ų | 14 | 10.3 Ų | 10.3 | 7% | 0.072 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 119.9 | 175.2 | -62.6 | 172.9 | 0 | 0 | 0 | 108.5 | K170 L210 M219 S220 F221 T222 I231 | I143-K170 WeakPolarHBondContact CA-O 3.27Å; I143-K170 HydrophobicContact CG1-CB 4.37Å; I143-K170 HydrophobicContact CG2-CD 4.23Å; I143-L210 HydrophobicContact CG1-CD2 4.26Å; I143-M219 HydrophobicContact CD1-CE 3.61Å; I143-M219 HydrophobicContact CG1-CE 4Å; I143-S220 PolarHBondContact N-O 3.06Å; I143-F221 HydrophobicContact CB-CD2 3.81Å; I143-F221 HydrophobicContact CG2-CD2 3.56Å; I143-F221 HydrophobicContact CG2-CE2 3.83Å; I143-F221 WeakPolarHBondContact O-CA 3.41Å; I143-T222 PolarHBondContact O-N 3.42Å; I143-I231 HydrophobicContact CD1-CD1 4.02Å |
| 144 | T | 98.7 | Very high | 98.1 | Very high | 5 Ų | 5 | 9.8 Ų | 9.8 | 3% | 0.031 | 5% | 0.047 | C | C | . | . | trans | -118.2 | 149.3 | -172.3 | 61.6 | 0 | 0 | 0 | 0 | 112.7 | Q152 T153 K156 L169 K170 P171 S172 | T144-Q152 HydrophobicContact CG2-CB 4.23Å; T144-Q152 WeakPolarHBondContact CG2-O 3.41Å; T144-T153 HydrophobicContact CG2-CG2 3.98Å; T144-T153 WeakPolarHBondContact OG1-CG2 3.3Å; T144-K156 HydrophobicContact CG2-CD 3.86Å; T144-L169 HydrophobicContact CG2-CD1 3.98Å; T144-K170 PolarHBondContact N-O 3.43Å; T144-P171 WeakPolarHBondContact OG1-CA 3.31Å; T144-S172 PolarHBondContact O-N 3.37Å | ||
| 145 | P | 98.4 | Very high | 98 | Very high | 16 Ų | 16 | 7.8 Ų | 7.8 | 10% | 0.104 | 4% | 0.038 | C | C | . | . | trans | -84.3 | 174.4 | -178.4 | 38.3 | -39.2 | 0 | 0 | 0 | 110.5 | N147 Q152 T222 | P145-N147 VanDerWaalsContact CG-OD1 3.32Å; P145-N147 WeakPolarHBondContact CG-OD1 3.34Å; P145-Q152 HydrophobicContact CG-CB 4.28Å; P145-Q152 HydrophobicContact CG-CG 3.79Å; P145-T222 VanDerWaalsContact CD-O 3.3Å; P145-T222 WeakPolarHBondContact CD-O 3.38Å; P145-T222 HydrophobicContact CG-CG2 3.83Å | ||
| 146 | W | 98.5 | Very high | 98 | Very high | 39 Ų | 39 | 6 Ų | 6 | 15% | 0.148 | 3% | 0.03 | C | C | . | . | S | Bend | trans | -86.7 | -16.2 | -177 | 49.7 | -104.1 | 0 | 0 | 0 | 115.1 | L92 P149 E174 T175 Q277 I322 Q326 F381 | L92-W146 HydrophobicContact CD1-CE3 4.01Å; L92-W146 HydrophobicContact CD1-CZ3 4.3Å; L92-W146 WeakPolarHBondContact CD1-O 3.29Å; W146-P149 VanDerWaalsContact O-CD 3.3Å; W146-P149 WeakPolarHBondContact O-CD 3.4Å; W146-P149 VanDerWaalsContact O-CG 3.22Å; W146-P149 WeakPolarHBondContact O-CG 3.4Å; W146-E174 HydrophobicContact CB-CB 4.06Å; W146-E174 VanDerWaalsContact CD1-OE2 3.3Å; W146-T175 WeakPolarHBondContact CA-OG1 3.38Å; W146-T175 HydrophobicContact CB-CG2 3.94Å; W146-T175 WeakPolarHBondContact CB-OG1 3.43Å; W146-T175 WeakPolarHBondContact O-CG2 3.4Å; W146-T175 PolarHBondContact O-OG1 3.29Å; W146-Q277 HydrophobicContact CH2-CB 3.82Å; W146-Q277 HydrophobicContact CH2-CG 3.8Å; W146-Q277 HydrophobicContact CZ3-CB 3.76Å; W146-Q277 VanDerWaalsContact CZ3-CD 3.42Å; W146-Q277 HydrophobicContact CZ3-CG 3.97Å; W146-I322 HydrophobicContact CB-CG1 4.39Å; W146-I322 HydrophobicContact CD2-CB 4.08Å; W146-I322 HydrophobicContact CD2-CG1 3.92Å; W146-I322 HydrophobicContact CD2-CG2 3.75Å; W146-I322 HydrophobicContact CE3-CB 3.55Å; W146-I322 HydrophobicContact CE3-CD1 4.35Å; W146-I322 HydrophobicContact CE3-CG1 3.68Å; W146-I322 HydrophobicContact CE3-CG2 3.61Å; W146-I322 HydrophobicContact CG-CG1 4.23Å; W146-I322 HydrophobicContact CH2-CB 4.04Å; W146-I322 HydrophobicContact CH2-CG2 3.38Å; W146-I322 HydrophobicContact CZ2-CG2 3.52Å; W146-I322 HydrophobicContact CZ3-CB 3.56Å; W146-I322 HydrophobicContact CZ3-CG1 4.23Å; W146-I322 HydrophobicContact CZ3-CG2 3.45Å; W146-I322 VanDerWaalsContact CZ3-CG2 3.45Å; W146-Q326 HydrophobicContact CH2-CG 4.24Å; W146-Q326 HydrophobicContact CZ2-CG 4.23Å; W146-F381 AromaticContact CH2-CD1 3.44Å; W146-F381 HydrophobicContact CH2-CD1 3.44Å; W146-F381 VanDerWaalsContact CH2-CD1 3.44Å; W146-F381 AromaticContact CH2-CE1 3.24Å; W146-F381 HydrophobicContact CH2-CE1 3.24Å; W146-F381 AromaticContact CZ2-CD1 3.62Å; W146-F381 HydrophobicContact CZ2-CD1 3.62Å; W146-F381 AromaticContact CZ2-CE1 3.41Å; W146-F381 HydrophobicContact CZ2-CE1 3.41Å; W146-F381 VanDerWaalsContact CZ2-CE1 3.41Å; W146-F381 HydrophobicContact CZ3-CD1 4.49Å; W146-F381 AromaticContact CZ3-CE1 3.99Å; W146-F381 HydrophobicContact CZ3-CE1 3.99Å |
| 147 | N | 98.6 | Very high | 98 | Very high | 6 Ų | 6 | 5.9 Ų | 5.9 | 3% | 0.032 | 3% | 0.029 | C | C | . | . | S | Bend | trans | -81.5 | -22.6 | -164.6 | 69.1 | -46.6 | 0 | 0 | 0 | 114.5 | L92 H103 P145 N274 Q277 F381 | L92-N147 WeakPolarHBondContact CD2-O 3.46Å; H103-N147 PolarHBondContact CE1-O 2.92Å; P145-N147 VanDerWaalsContact CG-OD1 3.32Å; P145-N147 WeakPolarHBondContact CG-OD1 3.34Å; N147-N274 PolarHBondContact O-ND2 3.38Å; N147-Q277 HydrophobicContact CB-CB 4.35Å; N147-Q277 WeakPolarHBondContact CB-O 3.4Å; N147-Q277 PolarHBondContact ND2-O 2.73Å; N147-F381 HydrophobicContact CB-CE1 3.86Å; N147-F381 HydrophobicContact CB-CZ 3.93Å; N147-F381 VanDerWaalsContact ND2-CZ 3.31Å; N147-F381 WeakPolarHBondContact ND2-CZ 3.42Å |
| 148 | F | 98.4 | Very high | 98 | Very high | 13 Ų | 13 | 5.8 Ų | 5.8 | 6% | 0.057 | 3% | 0.028 | C | C | . | . | S | Bend | trans | -138.4 | 73.1 | 167.2 | -66.1 | -96.1 | 0 | 0 | 0 | 109.7 | V102 H103 M106 T150 N151 Q152 N274 V278 | V102-F148 HydrophobicContact CG1-CE1 3.96Å; H103-F148 AromaticContact CE1-CD1 3.32Å; H103-F148 WeakPolarHBondContact CE1-CD1 3.31Å; H103-F148 AromaticContact CE1-CE1 3.8Å; H103-F148 AromaticContact CE1-CG 3.91Å; H103-F148 AromaticContact ND1-CD1 3.48Å; H103-F148 WeakPolarHBondContact ND1-CD1 3.39Å; M106-F148 HydrophobicContact SD-CD1 4.34Å; M106-F148 HydrophobicContact SD-CE1 4.42Å; F148-T150 VanDerWaalsContact C-N 3.29Å; F148-T150 PolarHBondContact O-N 3.25Å; F148-N151 HydrophobicContact CB-CB 3.69Å; F148-N151 PolarHBondContact O-N 2.86Å; F148-Q152 HydrophobicContact CB-CG 4.17Å; F148-Q152 WeakPolarHBondContact O-CB 3.17Å; F148-Q152 WeakPolarHBondContact O-CG 3.44Å; F148-Q152 PolarHBondContact O-N 2.74Å; F148-N274 HydrophobicContact CZ-CB 4.1Å; F148-V278 HydrophobicContact CE2-CB 4.28Å; F148-V278 HydrophobicContact CE2-CG1 4.08Å; F148-V278 HydrophobicContact CE2-CG2 3.91Å; F148-V278 HydrophobicContact CZ-CB 4.49Å; F148-V278 HydrophobicContact CZ-CG1 4.2Å; F148-V278 HydrophobicContact CZ-CG2 3.77Å |
| 149 | P | 98.1 | Very high | 98.1 | Very high | 4 Ų | 4 | 6.1 Ų | 6.1 | 3% | 0.026 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -57.2 | -41.6 | -166.5 | -23.1 | 31.2 | 0 | 0 | 0 | 112.8 | I88 W146 T153 T175 A178 | I88-P149 HydrophobicContact CD1-CB 3.72Å; I88-P149 HydrophobicContact CD1-CG 3.6Å; W146-P149 VanDerWaalsContact O-CD 3.3Å; W146-P149 WeakPolarHBondContact O-CD 3.4Å; W146-P149 VanDerWaalsContact O-CG 3.22Å; W146-P149 WeakPolarHBondContact O-CG 3.4Å; P149-T153 WeakPolarHBondContact O-CB 3.36Å; P149-T153 WeakPolarHBondContact O-CG2 3.35Å; P149-T153 PolarHBondContact O-N 3.41Å; P149-T153 PolarHBondContact O-OG1 3.03Å; P149-T175 HydrophobicContact CG-CG2 3.82Å; P149-T175 WeakPolarHBondContact CG-OG1 3.17Å; P149-A178 HydrophobicContact CB-CB 3.78Å |
| 150 | T | 95 | Very high | 98 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -80.1 | -39.4 | -179.6 | -42 | 0 | 0 | 0 | 0 | 112.8 | Y77 I84 I88 F148 T153 S154 | Y77-T150 HydrophobicContact CE2-CG2 3.84Å; Y77-T150 WeakPolarHBondContact OH-CG2 3.25Å; I84-T150 HydrophobicContact CG2-CG2 4.1Å; I88-T150 WeakPolarHBondContact CD1-OG1 3.21Å; F148-T150 VanDerWaalsContact C-N 3.29Å; F148-T150 PolarHBondContact O-N 3.25Å; T150-T153 PolarHBondContact O-OG1 2.94Å; T150-T153 VanDerWaalsContact O-OG1 3.06Å; T150-S154 WeakPolarHBondContact O-CB 3.41Å; T150-S154 PolarHBondContact O-N 3.06Å; T150-S154 PolarHBondContact O-OG 3.21Å |
| 151 | N | 95.5 | Very high | 98 | Very high | 6 Ų | 6 | 6.1 Ų | 6.1 | 3% | 0.032 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -60.4 | -54.1 | 177.9 | 178.8 | 56.2 | 0 | 0 | 0 | 111.4 | M106 H110 F148 T153 S154 L155 | M106-N151 HydrophobicContact CB-CB 4.09Å; M106-N151 WeakPolarHBondContact CB-OD1 3.47Å; M106-N151 HydrophobicContact CE-CB 4.45Å; M106-N151 WeakPolarHBondContact CE-OD1 3.48Å; H110-N151 PolarHBondContact CD2-OD1 3.47Å; H110-N151 PolarHBondContact NE2-OD1 2.84Å; F148-N151 HydrophobicContact CB-CB 3.69Å; F148-N151 PolarHBondContact O-N 2.86Å; N151-T153 VanDerWaalsContact C-N 3.31Å; N151-T153 PolarHBondContact O-N 3.4Å; N151-S154 PolarHBondContact O-N 3.11Å; N151-L155 WeakPolarHBondContact O-CB 3.27Å; N151-L155 WeakPolarHBondContact O-CD2 3.31Å; N151-L155 VanDerWaalsContact O-CG 3.3Å; N151-L155 WeakPolarHBondContact O-CG 3.14Å; N151-L155 PolarHBondContact O-N 3.25Å |
| 152 | Q | 96.9 | Very high | 98 | Very high | 4 Ų | 4 | 6.1 Ų | 6.1 | 2% | 0.019 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -69.2 | -31.2 | -170.9 | -68.8 | -68.7 | -17.9 | 0 | 0 | 112.7 | T144 P145 F148 K156 T222 | T144-Q152 HydrophobicContact CG2-CB 4.23Å; T144-Q152 WeakPolarHBondContact CG2-O 3.41Å; P145-Q152 HydrophobicContact CG-CB 4.28Å; P145-Q152 HydrophobicContact CG-CG 3.79Å; F148-Q152 HydrophobicContact CB-CG 4.17Å; F148-Q152 WeakPolarHBondContact O-CB 3.17Å; F148-Q152 WeakPolarHBondContact O-CG 3.44Å; F148-Q152 PolarHBondContact O-N 2.74Å; Q152-K156 WeakPolarHBondContact O-CG 2.98Å; Q152-T222 PolarHBondContact OE1-OG1 3.44Å |
| 153 | T | 97.7 | Very high | 98 | Very high | 2 Ų | 2 | 6.1 Ų | 6.1 | 1% | 0.012 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -73 | -53.1 | 171.2 | 50.6 | 0 | 0 | 0 | 0 | 110.4 | T144 P149 T150 N151 L155 K156 L157 L169 A179 L182 | T144-T153 HydrophobicContact CG2-CG2 3.98Å; T144-T153 WeakPolarHBondContact OG1-CG2 3.3Å; P149-T153 WeakPolarHBondContact O-CB 3.36Å; P149-T153 WeakPolarHBondContact O-CG2 3.35Å; P149-T153 PolarHBondContact O-N 3.41Å; P149-T153 PolarHBondContact O-OG1 3.03Å; T150-T153 PolarHBondContact O-OG1 2.94Å; T150-T153 VanDerWaalsContact O-OG1 3.06Å; N151-T153 VanDerWaalsContact C-N 3.31Å; N151-T153 PolarHBondContact O-N 3.4Å; T153-L155 PolarHBondContact O-N 3.3Å; T153-K156 PolarHBondContact O-N 3.11Å; T153-L157 WeakPolarHBondContact O-CB 3.31Å; T153-L157 WeakPolarHBondContact O-CD1 3.44Å; T153-L157 WeakPolarHBondContact O-CG 3.48Å; T153-L157 PolarHBondContact O-N 3.31Å; T153-L169 HydrophobicContact CG2-CD1 4.18Å; T153-L169 HydrophobicContact CG2-CD2 3.96Å; T153-A179 HydrophobicContact CG2-CB 4.38Å; T153-L182 VanDerWaalsContact OG1-CD1 3.24Å; T153-L182 WeakPolarHBondContact OG1-CD1 3.45Å |
| 154 | S | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -60.6 | -43.2 | -174.6 | -55.9 | 0 | 0 | 0 | 0 | 112.8 | F111 T150 N151 K156 L157 A158 | F111-S154 VanDerWaalsContact CE2-CB 3.47Å; F111-S154 WeakPolarHBondContact CE2-OG 3.42Å; T150-S154 WeakPolarHBondContact O-CB 3.41Å; T150-S154 PolarHBondContact O-N 3.06Å; T150-S154 PolarHBondContact O-OG 3.21Å; N151-S154 PolarHBondContact O-N 3.11Å; S154-K156 VanDerWaalsContact C-N 3.32Å; S154-K156 PolarHBondContact O-N 3.32Å; S154-L157 PolarHBondContact O-N 2.83Å; S154-A158 WeakPolarHBondContact O-CB 2.91Å; S154-A158 PolarHBondContact O-N 2.93Å |
| 155 | L | 96.6 | Very high | 98 | Very high | 8 Ų | 8 | 5.2 Ų | 5.2 | 4% | 0.042 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -61.8 | -39.1 | -179.5 | 70.8 | 85.7 | 0 | 0 | 0 | 112.6 | H110 N151 T153 A159 E455 | H110-L155 HydrophobicContact CB-CB 4.12Å; N151-L155 WeakPolarHBondContact O-CB 3.27Å; N151-L155 WeakPolarHBondContact O-CD2 3.31Å; N151-L155 VanDerWaalsContact O-CG 3.3Å; N151-L155 WeakPolarHBondContact O-CG 3.14Å; N151-L155 PolarHBondContact O-N 3.25Å; T153-L155 PolarHBondContact O-N 3.3Å; L155-A159 WeakPolarHBondContact O-CB 3.44Å; L155-A159 PolarHBondContact O-N 3.23Å; L155-E455 HydrophobicContact CD1-CB 3.98Å; L155-E455 HydrophobicContact CD1-CG 3.91Å; L155-E455 VanDerWaalsContact CD1-OE1 3.27Å; L155-E455 WeakPolarHBondContact CD1-OE1 3.46Å; L155-E455 VanDerWaalsContact CD1-OE2 3.22Å; L155-E455 WeakPolarHBondContact CD1-OE2 3.35Å |
| 156 | K | 98.3 | Very high | 98 | Very high | 2 Ų | 2 | 4.4 Ų | 4.4 | 1% | 0.009 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -75.7 | -41.9 | -179.1 | -64.8 | -177.4 | -171.9 | -63.8 | 0 | 110.7 | L142 T144 Q152 T153 S154 A160 S220 T222 E455 | L142-K156 HydrophobicContact CB-CD 4.39Å; L142-K156 HydrophobicContact CD1-CB 3.9Å; L142-K156 HydrophobicContact CD2-CB 4.18Å; L142-K156 HydrophobicContact CD2-CD 4.45Å; T144-K156 HydrophobicContact CG2-CD 3.86Å; Q152-K156 WeakPolarHBondContact O-CG 2.98Å; T153-K156 PolarHBondContact O-N 3.11Å; S154-K156 VanDerWaalsContact C-N 3.32Å; S154-K156 PolarHBondContact O-N 3.32Å; K156-A160 VanDerWaalsContact O-CB 3.31Å; K156-A160 WeakPolarHBondContact O-CB 3.39Å; K156-A160 PolarHBondContact O-N 3.4Å; K156-S220 WeakPolarHBondContact CD-OG 3.43Å; K156-S220 PolarHBondContact NZ-OG 3.46Å; K156-T222 WeakPolarHBondContact CE-OG1 3.38Å; K156-T222 PolarHBondContact NZ-OG1 2.61Å; K156-E455 IonicContact NZ-OE1 3.76Å; K156-E455 PolarHBondContact NZ-OE1 3.33Å |
| 157 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -65 | -45.8 | 178.6 | -67.7 | 166.3 | 0 | 0 | 0 | 111.5 | F111 L142 T153 S154 A159 A160 F161 V167 L169 L182 F186 F196 | F111-L157 HydrophobicContact CE1-CB 4.33Å; F111-L157 HydrophobicContact CZ-CB 4.42Å; L142-L157 HydrophobicContact CD1-CD2 3.75Å; L142-L157 HydrophobicContact CD1-CG 4.23Å; T153-L157 WeakPolarHBondContact O-CB 3.31Å; T153-L157 WeakPolarHBondContact O-CD1 3.44Å; T153-L157 WeakPolarHBondContact O-CG 3.48Å; T153-L157 PolarHBondContact O-N 3.31Å; S154-L157 PolarHBondContact O-N 2.83Å; L157-A159 PolarHBondContact O-N 2.97Å; L157-A160 PolarHBondContact O-N 3.26Å; L157-F161 HydrophobicContact CD2-CZ 4.37Å; L157-F161 WeakPolarHBondContact O-CB 3.39Å; L157-F161 VanDerWaalsContact O-CG 3.23Å; L157-F161 WeakPolarHBondContact O-CG 3.43Å; L157-F161 PolarHBondContact O-N 3.48Å; L157-V167 HydrophobicContact CD2-CG2 3.73Å; L157-L169 HydrophobicContact CD1-CD2 4.21Å; L157-L182 HydrophobicContact CD1-CD1 4.01Å; L157-F186 HydrophobicContact CB-CZ 4.44Å; L157-F186 HydrophobicContact CD1-CE2 3.81Å; L157-F186 HydrophobicContact CD1-CZ 3.9Å; L157-F186 HydrophobicContact CD2-CE2 4.36Å; L157-F196 HydrophobicContact CD1-CE2 4.26Å; L157-F196 HydrophobicContact CD2-CD2 3.64Å; L157-F196 HydrophobicContact CD2-CE2 3.62Å |
| 158 | A | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 2.3 Ų | 2.3 | 1% | 0.008 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -60.1 | -46.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L70 F111 A114 S154 A162 | L70-A158 HydrophobicContact CD2-CB 4.48Å; F111-A158 HydrophobicContact CD1-CB 3.59Å; F111-A158 HydrophobicContact CE1-CB 3.92Å; F111-A158 HydrophobicContact CG-CB 4.33Å; A114-A158 HydrophobicContact CB-CB 3.66Å; S154-A158 WeakPolarHBondContact O-CB 2.91Å; S154-A158 PolarHBondContact O-N 2.93Å; A158-A162 VanDerWaalsContact O-CB 3.28Å; A158-A162 WeakPolarHBondContact O-CB 3.29Å; A158-A162 PolarHBondContact O-N 3.38Å |
| 159 | A | 98.4 | Very high | 98.1 | Very high | 7 Ų | 7 | 1.7 Ų | 1.7 | 6% | 0.058 | 1% | 0.01 | C | C | . | . | H | α-helix | trans | -64.6 | -44.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L155 L157 A162 A163 F464 | L155-A159 WeakPolarHBondContact O-CB 3.44Å; L155-A159 PolarHBondContact O-N 3.23Å; L157-A159 PolarHBondContact O-N 2.97Å; A159-A162 PolarHBondContact O-N 3.45Å; A159-A163 WeakPolarHBondContact O-CB 3.27Å; A159-A163 PolarHBondContact O-N 3.29Å; A159-F464 HydrophobicContact CB-CD2 3.85Å; A159-F464 HydrophobicContact CB-CE2 3.64Å |
| 160 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 1.9 Ų | 1.9 | 0% | 0 | 1% | 0.01 | C | C | . | . | H | α-helix | trans | -63.1 | -44.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K156 L157 A163 G164 S165 V167 F464 | K156-A160 VanDerWaalsContact O-CB 3.31Å; K156-A160 WeakPolarHBondContact O-CB 3.39Å; K156-A160 PolarHBondContact O-N 3.4Å; L157-A160 PolarHBondContact O-N 3.26Å; A160-A163 CarbonylContact O-C 3.54Å; A160-A163 PolarHBondContact O-N 3.02Å; A160-G164 PolarHBondContact O-N 3.26Å; A160-S165 PolarHBondContact O-N 2.63Å; A160-V167 HydrophobicContact CB-CG1 3.41Å; A160-V167 VanDerWaalsContact CB-CG1 3.41Å; A160-F464 HydrophobicContact CB-CD1 3.83Å; A160-F464 HydrophobicContact CB-CD2 4.45Å; A160-F464 HydrophobicContact CB-CE1 3.79Å; A160-F464 HydrophobicContact CB-CE2 4.42Å; A160-F464 HydrophobicContact CB-CG 4.18Å; A160-F464 HydrophobicContact CB-CZ 4.09Å |
| 161 | F | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 2 Ų | 2 | 0% | 0.004 | 1% | 0.011 | C | C | . | . | H | α-helix | trans | -65.8 | -41 | 176.8 | -66.1 | -13.3 | 0 | 0 | 0 | 112.1 | F58 R66 L70 I73 L157 A163 G164 V167 F186 V195 F196 | F58-F161 HydrophobicContact CE1-CD1 4.34Å; F58-F161 HydrophobicContact CZ-CB 4.47Å; F58-F161 HydrophobicContact CZ-CD1 4.4Å; R66-F161 WeakPolarHBondContact CD-O 3.47Å; L70-F161 HydrophobicContact CD2-CB 4.19Å; I73-F161 HydrophobicContact CD1-CD2 3.73Å; I73-F161 HydrophobicContact CD1-CE2 3.79Å; L157-F161 HydrophobicContact CD2-CZ 4.37Å; L157-F161 WeakPolarHBondContact O-CB 3.39Å; L157-F161 VanDerWaalsContact O-CG 3.23Å; L157-F161 WeakPolarHBondContact O-CG 3.43Å; L157-F161 PolarHBondContact O-N 3.48Å; F161-A163 VanDerWaalsContact C-N 3.28Å; F161-A163 PolarHBondContact O-N 3.22Å; F161-G164 PolarHBondContact O-N 3.24Å; F161-G164 VanDerWaalsContact O-N 3.15Å; F161-V167 HydrophobicContact CE1-CG2 4.07Å; F161-F186 HydrophobicContact CE2-CD1 4.49Å; F161-F186 HydrophobicContact CE2-CD2 4.42Å; F161-F186 HydrophobicContact CE2-CE1 4.08Å; F161-F186 AromaticContact CE2-CE2 3.97Å; F161-F186 HydrophobicContact CE2-CE2 3.97Å; F161-F186 AromaticContact CE2-CZ 3.79Å; F161-F186 HydrophobicContact CE2-CZ 3.79Å; F161-F186 HydrophobicContact CZ-CD2 4.31Å; F161-F186 AromaticContact CZ-CE2 4Å; F161-F186 HydrophobicContact CZ-CE2 4Å; F161-F186 HydrophobicContact CZ-CZ 4.29Å; F161-V195 HydrophobicContact CD1-CG1 4.03Å; F161-V195 HydrophobicContact CE1-CG1 3.81Å; F161-F196 HydrophobicContact CE1-CB 4.34Å; F161-F196 HydrophobicContact CZ-CB 3.98Å; F161-F196 HydrophobicContact CZ-CD2 4.25Å; F161-F196 HydrophobicContact CZ-CG 4.45Å |
| 162 | A | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 2.2 Ų | 2.2 | 0% | 0 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -61 | -38.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R66 L70 A114 L118 A158 A159 G164 I461 | R66-A162 VanDerWaalsContact CZ-O 3.22Å; R66-A162 PolarHBondContact NH1-O 3.27Å; L70-A162 HydrophobicContact CD1-CB 4.03Å; A114-A162 HydrophobicContact CB-CB 4.31Å; L118-A162 HydrophobicContact CD1-CB 4.17Å; L118-A162 HydrophobicContact CD2-CB 4.07Å; L118-A162 HydrophobicContact CG-CB 4.21Å; A158-A162 VanDerWaalsContact O-CB 3.28Å; A158-A162 WeakPolarHBondContact O-CB 3.29Å; A158-A162 PolarHBondContact O-N 3.38Å; A159-A162 PolarHBondContact O-N 3.45Å; A162-G164 VanDerWaalsContact C-N 3.31Å; A162-G164 PolarHBondContact O-N 3.04Å; A162-I461 HydrophobicContact CB-CD1 3.73Å; A162-I461 HydrophobicContact CB-CG1 3.86Å |
| 163 | A | 98.4 | Very high | 98.5 | Very high | 0 Ų | 0 | 4.8 Ų | 4.8 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -75.2 | -14.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | R66 A136 A159 A160 F161 I461 F464 L465 | R66-A163 PolarHBondContact NH1-O 3.13Å; A136-A163 VanDerWaalsContact CB-O 3.24Å; A136-A163 WeakPolarHBondContact CB-O 3.31Å; A159-A163 WeakPolarHBondContact O-CB 3.27Å; A159-A163 PolarHBondContact O-N 3.29Å; A160-A163 CarbonylContact O-C 3.54Å; A160-A163 PolarHBondContact O-N 3.02Å; F161-A163 VanDerWaalsContact C-N 3.28Å; F161-A163 PolarHBondContact O-N 3.22Å; A163-I461 HydrophobicContact CB-CG2 3.98Å; A163-F464 HydrophobicContact CB-CB 3.39Å; A163-F464 HydrophobicContact CB-CG 4.42Å; A163-L465 HydrophobicContact CB-CD2 3.9Å; A163-L465 HydrophobicContact CB-CG 4.15Å |
| 164 | G | 98.4 | Very high | 98.5 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.037 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 25.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | F58 R59 A136 A160 F161 A162 | F58-G164 VanDerWaalsContact CD1-O 3.26Å; F58-G164 WeakPolarHBondContact CD1-O 3.37Å; F58-G164 VanDerWaalsContact CE1-C 3.46Å; R59-G164 PolarHBondContact N-O 3.22Å; A136-G164 VanDerWaalsContact CB-C 3.44Å; A136-G164 WeakPolarHBondContact CB-O 2.92Å; A160-G164 PolarHBondContact O-N 3.26Å; F161-G164 PolarHBondContact O-N 3.24Å; F161-G164 VanDerWaalsContact O-N 3.15Å; A162-G164 VanDerWaalsContact C-N 3.31Å; A162-G164 PolarHBondContact O-N 3.04Å |
| 165 | S | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.038 | C | C | . | . | trans | -96.7 | 124.5 | 179.3 | 178.4 | 0 | 0 | 0 | 0 | 111.1 | G138 S140 A160 | G138-S165 PolarHBondContact O-OG 3.26Å; S140-S165 PolarHBondContact OG-OG 3.3Å; A160-S165 PolarHBondContact O-N 2.63Å | ||
| 166 | P | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.036 | C | C | . | . | trans | -75.8 | 149.5 | 170.1 | 34.9 | -36.7 | 0 | 0 | 0 | 110.8 | A51 V54 V139 S140 V195 | A51-P166 HydrophobicContact CB-CB 4.05Å; A51-P166 HydrophobicContact CB-CG 4.36Å; A51-P166 VanDerWaalsContact O-CG 3.3Å; A51-P166 WeakPolarHBondContact O-CG 3.33Å; V54-P166 HydrophobicContact CG2-CB 4.31Å; V139-P166 WeakPolarHBondContact CA-O 3.49Å; V139-P166 HydrophobicContact CG2-CG 4.29Å; S140-P166 PolarHBondContact N-O 3.46Å; P166-V195 CarbonylContact C-O 3.56Å; P166-V195 VanDerWaalsContact CA-O 3.31Å; P166-V195 WeakPolarHBondContact CA-O 3.35Å | ||
| 167 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.035 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 149.9 | -166.8 | -57.4 | 0 | 0 | 0 | 0 | 113.8 | S140 L142 L157 A160 F161 V195 F196 N197 | S140-V167 VanDerWaalsContact O-CA 3.28Å; S140-V167 WeakPolarHBondContact O-CA 3.02Å; L142-V167 HydrophobicContact CD1-CB 3.92Å; L142-V167 HydrophobicContact CD1-CG1 3.92Å; L142-V167 HydrophobicContact CD1-CG2 4.31Å; L142-V167 HydrophobicContact CG-CB 4.21Å; L142-V167 HydrophobicContact CG-CG1 4.32Å; L157-V167 HydrophobicContact CD2-CG2 3.73Å; A160-V167 HydrophobicContact CB-CG1 3.41Å; A160-V167 VanDerWaalsContact CB-CG1 3.41Å; F161-V167 HydrophobicContact CE1-CG2 4.07Å; V167-V195 PolarHBondContact N-O 3.12Å; V167-F196 HydrophobicContact CG2-CB 4.45Å; V167-F196 HydrophobicContact CG2-CD2 3.75Å; V167-N197 PolarHBondContact O-N 3.48Å; V167-N197 PolarHBondContact O-ND2 3.3Å; V167-N197 VanDerWaalsContact O-ND2 3.15Å |
| 168 | V | 99 | Very high | 98.5 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.036 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 113.7 | 162.4 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | A47 V48 A51 V139 S140 L142 N197 V199 L210 | A47-V168 HydrophobicContact CB-CG1 3.84Å; A47-V168 HydrophobicContact CB-CG2 3.98Å; V48-V168 HydrophobicContact CG2-CG2 3.91Å; A51-V168 HydrophobicContact CB-CG2 4.33Å; V139-V168 HydrophobicContact CG1-CG2 4.44Å; S140-V168 PolarHBondContact O-N 2.99Å; L142-V168 PolarHBondContact N-O 2.96Å; V168-N197 WeakPolarHBondContact CA-O 3.4Å; V168-N197 HydrophobicContact CG2-CB 4.31Å; V168-V199 HydrophobicContact CG1-CG2 4.02Å; V168-L210 HydrophobicContact CB-CD1 3.83Å; V168-L210 HydrophobicContact CG1-CD1 3.89Å; V168-L210 HydrophobicContact CG1-CD2 4.37Å; V168-L210 HydrophobicContact CG2-CD1 4.49Å |
| 169 | L | 99 | Very high | 98.5 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.036 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 129.7 | 179.7 | 175.4 | 64.4 | 0 | 0 | 0 | 110.9 | L142 T144 T153 L157 A179 F196 N197 L198 V199 | L142-L169 HydrophobicContact CB-CD1 3.81Å; L142-L169 WeakPolarHBondContact O-CA 3.15Å; T144-L169 HydrophobicContact CG2-CD1 3.98Å; T153-L169 HydrophobicContact CG2-CD1 4.18Å; T153-L169 HydrophobicContact CG2-CD2 3.96Å; L157-L169 HydrophobicContact CD1-CD2 4.21Å; L169-A179 HydrophobicContact CD2-CB 4.1Å; L169-F196 HydrophobicContact CB-CE2 4.06Å; L169-F196 HydrophobicContact CD2-CE2 4.03Å; L169-F196 HydrophobicContact CD2-CZ 4.26Å; L169-N197 PolarHBondContact N-O 3.47Å; L169-L198 HydrophobicContact CB-CD1 4.49Å; L169-L198 HydrophobicContact CD2-CD1 4.2Å; L169-L198 HydrophobicContact CG-CD1 4.22Å; L169-V199 PolarHBondContact O-N 3.17Å |
| 170 | K | 98.8 | Very high | 98.6 | Very high | 8 Ų | 8 | 6.7 Ų | 6.7 | 4% | 0.035 | 3% | 0.033 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 101.5 | 161.4 | -179.2 | -111.3 | 137.6 | 117.9 | 0 | 109.8 | L142 I143 T144 E173 V199 G201 V206 | L142-K170 PolarHBondContact O-N 3.18Å; I143-K170 WeakPolarHBondContact CA-O 3.27Å; I143-K170 HydrophobicContact CG1-CB 4.37Å; I143-K170 HydrophobicContact CG2-CD 4.23Å; T144-K170 PolarHBondContact N-O 3.43Å; K170-E173 IonicContact NZ-OE2 3.29Å; K170-E173 PolarHBondContact NZ-OE2 3.12Å; K170-V199 WeakPolarHBondContact CA-O 3.3Å; K170-G201 WeakPolarHBondContact CE-O 3.48Å; K170-G201 PolarHBondContact NZ-O 3.37Å; K170-V206 HydrophobicContact CB-CG1 3.74Å; K170-V206 HydrophobicContact CG-CB 3.98Å; K170-V206 HydrophobicContact CG-CG1 3.58Å |
| 171 | P | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 6.8 Ų | 6.8 | 1% | 0.013 | 3% | 0.034 | C | C | . | . | trans | -75 | 166.2 | 174.1 | 36.6 | -38 | 0 | 0 | 0 | 110.6 | T144 E173 A179 L198 N200 | T144-P171 WeakPolarHBondContact OG1-CA 3.31Å; P171-E173 PolarHBondContact O-N 2.99Å; P171-A179 HydrophobicContact CB-CB 3.59Å; P171-A179 HydrophobicContact CG-CB 3.65Å; P171-L198 VanDerWaalsContact CD-CD1 3.42Å; P171-L198 HydrophobicContact CG-CD1 3.8Å; P171-N200 VanDerWaalsContact CG-OD1 3.3Å; P171-N200 WeakPolarHBondContact CG-OD1 3.27Å | ||
| 172 | S | 98.6 | Very high | 98.6 | Very high | 12 Ų | 12 | 6.8 Ų | 6.8 | 8% | 0.084 | 3% | 0.034 | C | C | . | . | trans | -64.9 | 136.5 | 171.9 | -177.6 | 0 | 0 | 0 | 0 | 111.3 | T144 E174 T175 | T144-S172 PolarHBondContact O-N 3.37Å; S172-E174 PolarHBondContact O-N 2.92Å; S172-E174 PolarHBondContact OG-N 3.37Å; S172-T175 CarbonylContact O-C 3.27Å; S172-T175 PolarHBondContact O-N 3.4Å; S172-T175 VanDerWaalsContact O-N 3.16Å | ||
| 173 | E | 98.2 | Very high | 98.6 | Very high | 58 Ų | 58 | 6.8 Ų | 6.8 | 27% | 0.271 | 3% | 0.034 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -17.1 | 174.7 | 61.4 | -91.4 | -145.8 | 0 | 0 | 114 | I22 K170 P171 | I22-E173 HydrophobicContact CD1-CB 3.71Å; I22-E173 HydrophobicContact CD1-CG 4.34Å; I22-E173 HydrophobicContact CG2-CB 4.26Å; K170-E173 IonicContact NZ-OE2 3.29Å; K170-E173 PolarHBondContact NZ-OE2 3.12Å; P171-E173 PolarHBondContact O-N 2.99Å |
| 174 | E | 98.5 | Very high | 98.6 | Very high | 55 Ų | 55 | 9.1 Ų | 9.1 | 26% | 0.257 | 5% | 0.045 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -24.2 | 174.9 | -66.2 | -169.7 | 152.6 | 0 | 0 | 112.3 | W146 S172 I322 S323 | W146-E174 HydrophobicContact CB-CB 4.06Å; W146-E174 VanDerWaalsContact CD1-OE2 3.3Å; S172-E174 PolarHBondContact O-N 2.92Å; S172-E174 PolarHBondContact OG-N 3.37Å; E174-I322 HydrophobicContact CB-CD1 4.29Å; E174-I322 HydrophobicContact CB-CG1 3.99Å; E174-I322 WeakPolarHBondContact OE2-CG1 3.48Å; E174-I322 WeakPolarHBondContact OE2-CG2 3.08Å; E174-S323 WeakPolarHBondContact OE1-CB 3.2Å; E174-S323 PolarHBondContact OE1-OG 3.06Å |
| 175 | T | 98.7 | Very high | 98.6 | Very high | 2 Ų | 2 | 9.1 Ų | 9.1 | 1% | 0.012 | 5% | 0.045 | C | C | . | . | S | Bend | trans | -141.9 | 58.5 | -178.1 | 53.6 | 0 | 0 | 0 | 0 | 112.8 | E91 L92 W146 P149 S172 I322 | E91-T175 HydrophobicContact CB-CG2 4.3Å; E91-T175 HydrophobicContact CG-CG2 3.77Å; E91-T175 VanDerWaalsContact OE2-CA 3.3Å; E91-T175 WeakPolarHBondContact OE2-CA 3.21Å; L92-T175 HydrophobicContact CB-CG2 4.15Å; W146-T175 WeakPolarHBondContact CA-OG1 3.38Å; W146-T175 HydrophobicContact CB-CG2 3.94Å; W146-T175 WeakPolarHBondContact CB-OG1 3.43Å; W146-T175 WeakPolarHBondContact O-CG2 3.4Å; W146-T175 PolarHBondContact O-OG1 3.29Å; P149-T175 HydrophobicContact CG-CG2 3.82Å; P149-T175 WeakPolarHBondContact CG-OG1 3.17Å; S172-T175 CarbonylContact O-C 3.27Å; S172-T175 PolarHBondContact O-N 3.4Å; S172-T175 VanDerWaalsContact O-N 3.16Å; T175-I322 HydrophobicContact CG2-CD1 3.68Å |
| 176 | P | 98.5 | Very high | 98.6 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.045 | C | C | . | . | trans | -83.6 | -17.8 | -170.2 | 35.5 | -37 | 0 | 0 | 0 | 113.9 | V24 V36 E91 A178 A179 V180 | V24-P176 HydrophobicContact CG2-CG 3.53Å; V36-P176 HydrophobicContact CB-CG 4.32Å; V36-P176 HydrophobicContact CG1-CB 3.76Å; V36-P176 HydrophobicContact CG1-CG 3.39Å; V36-P176 HydrophobicContact CG2-CB 4.27Å; V36-P176 HydrophobicContact CG2-CG 4Å; E91-P176 WeakPolarHBondContact OE2-CD 3.45Å; E91-P176 VanDerWaalsContact OE2-N 3.15Å; P176-A178 PolarHBondContact O-N 3.22Å; P176-A179 PolarHBondContact O-N 2.97Å; P176-A179 VanDerWaalsContact O-N 3.16Å; P176-V180 PolarHBondContact O-N 3.22Å | ||
| 177 | F | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -67.1 | -36.1 | -169.8 | -57.8 | -33.3 | 0 | 0 | 0 | 112.5 | R2 Y4 V24 I33 V36 A87 E91 A179 V180 I181 | R2-F177 HydrophobicContact CB-CD1 4.43Å; R2-F177 HydrophobicContact CB-CE1 3.95Å; R2-F177 HydrophobicContact CB-CE2 4.37Å; R2-F177 HydrophobicContact CB-CZ 3.91Å; Y4-F177 AromaticContact CD2-CD1 3.58Å; Y4-F177 HydrophobicContact CD2-CD1 3.58Å; Y4-F177 AromaticContact CD2-CE1 3.84Å; Y4-F177 HydrophobicContact CD2-CE1 3.84Å; Y4-F177 AromaticContact CE2-CD1 3.71Å; Y4-F177 HydrophobicContact CE2-CD1 3.71Å; Y4-F177 HydrophobicContact CE2-CE1 4.22Å; Y4-F177 HydrophobicContact CE2-CG 4.35Å; V24-F177 HydrophobicContact CB-CE1 4.27Å; V24-F177 HydrophobicContact CB-CE2 4.13Å; V24-F177 HydrophobicContact CB-CZ 3.61Å; V24-F177 HydrophobicContact CG1-CE2 3.78Å; V24-F177 HydrophobicContact CG1-CZ 3.78Å; V24-F177 HydrophobicContact CG2-CE1 3.85Å; V24-F177 HydrophobicContact CG2-CZ 3.72Å; I33-F177 HydrophobicContact CD1-CE2 3.75Å; I33-F177 HydrophobicContact CG1-CE2 4.02Å; I33-F177 HydrophobicContact CG1-CZ 4.48Å; V36-F177 HydrophobicContact CG1-CD1 4.39Å; V36-F177 HydrophobicContact CG1-CE1 4.12Å; A87-F177 HydrophobicContact CB-CB 3.98Å; E91-F177 HydrophobicContact CB-CD2 4.1Å; E91-F177 HydrophobicContact CB-CE2 4.45Å; E91-F177 WeakPolarHBondContact OE2-CA 3.42Å; E91-F177 WeakPolarHBondContact OE2-CB 3.46Å; E91-F177 WeakPolarHBondContact OE2-CD2 3.37Å; E91-F177 VanDerWaalsContact OE2-CG 3.23Å; E91-F177 WeakPolarHBondContact OE2-CG 3.26Å; E91-F177 PolarHBondContact OE2-N 3.25Å; F177-A179 VanDerWaalsContact C-N 3.26Å; F177-A179 PolarHBondContact O-N 3.06Å; F177-V180 PolarHBondContact O-N 2.87Å; F177-I181 WeakPolarHBondContact O-CG1 3.16Å; F177-I181 PolarHBondContact O-N 3.39Å |
| 178 | A | 96.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.008 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -56.7 | -40.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I88 E91 P149 P176 I181 L182 | I88-A178 HydrophobicContact CD1-CB 3.96Å; E91-A178 PolarHBondContact OE1-N 2.64Å; P149-A178 HydrophobicContact CB-CB 3.78Å; P176-A178 PolarHBondContact O-N 3.22Å; A178-I181 PolarHBondContact O-N 3.49Å; A178-L182 WeakPolarHBondContact O-CG 3.38Å; A178-L182 PolarHBondContact O-N 2.86Å |
| 179 | A | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.008 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -71.8 | -34.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T153 L169 P171 P176 F177 L182 A183 L198 | T153-A179 HydrophobicContact CG2-CB 4.38Å; L169-A179 HydrophobicContact CD2-CB 4.1Å; P171-A179 HydrophobicContact CB-CB 3.59Å; P171-A179 HydrophobicContact CG-CB 3.65Å; P176-A179 PolarHBondContact O-N 2.97Å; P176-A179 VanDerWaalsContact O-N 3.16Å; F177-A179 VanDerWaalsContact C-N 3.26Å; F177-A179 PolarHBondContact O-N 3.06Å; A179-L182 PolarHBondContact O-N 3.49Å; A179-A183 PolarHBondContact O-N 2.83Å; A179-L198 HydrophobicContact CB-CD1 4.11Å |
| 180 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.9 | -44 | 173.3 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | Y4 W13 P176 F177 L182 A183 E184 L198 | Y4-V180 HydrophobicContact CD1-CG1 3.53Å; Y4-V180 HydrophobicContact CD2-CB 4.36Å; Y4-V180 HydrophobicContact CD2-CG1 3.97Å; Y4-V180 HydrophobicContact CD2-CG2 4.27Å; Y4-V180 HydrophobicContact CE1-CG1 3.49Å; Y4-V180 VanDerWaalsContact CE1-CG1 3.49Å; Y4-V180 HydrophobicContact CE2-CB 4.39Å; Y4-V180 HydrophobicContact CE2-CG1 3.94Å; Y4-V180 HydrophobicContact CG-CB 4.48Å; Y4-V180 HydrophobicContact CG-CG1 3.75Å; Y4-V180 HydrophobicContact CG-CG2 4.27Å; W13-V180 HydrophobicContact CH2-CG1 3.87Å; W13-V180 HydrophobicContact CZ3-CG1 4.49Å; P176-V180 PolarHBondContact O-N 3.22Å; F177-V180 PolarHBondContact O-N 2.87Å; V180-L182 VanDerWaalsContact C-N 3.3Å; V180-L182 PolarHBondContact O-N 3.28Å; V180-A183 WeakPolarHBondContact O-CB 3.3Å; V180-A183 PolarHBondContact O-N 2.65Å; V180-A183 VanDerWaalsContact O-N 3.09Å; V180-E184 WeakPolarHBondContact O-CG 3.37Å; V180-E184 PolarHBondContact O-N 2.97Å; V180-L198 HydrophobicContact CG2-CD2 3.98Å |
| 181 | I | 98.7 | Very high | 98.6 | Very high | 3 Ų | 3 | 23.6 Ų | 23.6 | 2% | 0.015 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.9 | -39.1 | 175.8 | -66.9 | 162 | 0 | 0 | 0 | 110.8 | R80 D83 I84 A87 F177 A178 A183 E184 I185 | R80-I181 HydrophobicContact CB-CG2 4.23Å; D83-I181 HydrophobicContact CB-CD1 4.13Å; I84-I181 HydrophobicContact CD1-CG2 4.36Å; I84-I181 HydrophobicContact CG1-CG2 3.77Å; A87-I181 HydrophobicContact CB-CD1 3.68Å; F177-I181 WeakPolarHBondContact O-CG1 3.16Å; F177-I181 PolarHBondContact O-N 3.39Å; A178-I181 PolarHBondContact O-N 3.49Å; I181-A183 VanDerWaalsContact C-N 3.35Å; I181-E184 WeakPolarHBondContact O-CB 3.24Å; I181-E184 PolarHBondContact O-N 3.19Å; I181-I185 HydrophobicContact CG2-CD1 4.14Å; I181-I185 WeakPolarHBondContact O-CG1 3.46Å; I181-I185 PolarHBondContact O-N 3.42Å |
| 182 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.7 | -40.7 | 172.3 | -74.4 | 173.7 | 0 | 0 | 0 | 112.4 | Y77 F111 T153 L157 A178 A179 V180 E184 I185 F186 | Y77-L182 HydrophobicContact CD2-CD2 3.79Å; Y77-L182 HydrophobicContact CE2-CD2 3.8Å; F111-L182 HydrophobicContact CE2-CD2 4.01Å; F111-L182 HydrophobicContact CZ-CD2 4.23Å; T153-L182 VanDerWaalsContact OG1-CD1 3.24Å; T153-L182 WeakPolarHBondContact OG1-CD1 3.45Å; L157-L182 HydrophobicContact CD1-CD1 4.01Å; A178-L182 WeakPolarHBondContact O-CG 3.38Å; A178-L182 PolarHBondContact O-N 2.86Å; A179-L182 PolarHBondContact O-N 3.49Å; V180-L182 VanDerWaalsContact C-N 3.3Å; V180-L182 PolarHBondContact O-N 3.28Å; L182-E184 VanDerWaalsContact C-N 3.33Å; L182-E184 PolarHBondContact O-N 2.88Å; L182-I185 HydrophobicContact CD2-CD1 4.15Å; L182-I185 WeakPolarHBondContact O-CB 3.47Å; L182-I185 PolarHBondContact O-N 3.41Å; L182-F186 HydrophobicContact CB-CE2 4.32Å; L182-F186 HydrophobicContact CB-CZ 4.33Å; L182-F186 HydrophobicContact CD2-CZ 4.39Å; L182-F186 WeakPolarHBondContact O-CB 3.37Å; L182-F186 WeakPolarHBondContact O-CD1 3.44Å; L182-F186 WeakPolarHBondContact O-CD2 3.44Å; L182-F186 WeakPolarHBondContact O-CG 3.25Å; L182-F186 PolarHBondContact O-N 3.06Å |
| 183 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.4 | -41.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y8 W13 A179 V180 I181 F186 D187 F196 L198 | Y8-A183 HydrophobicContact CD1-CB 4.47Å; Y8-A183 HydrophobicContact CG-CB 4.2Å; W13-A183 HydrophobicContact CH2-CB 3.66Å; W13-A183 HydrophobicContact CZ2-CB 3.87Å; A179-A183 PolarHBondContact O-N 2.83Å; V180-A183 WeakPolarHBondContact O-CB 3.3Å; V180-A183 PolarHBondContact O-N 2.65Å; V180-A183 VanDerWaalsContact O-N 3.09Å; I181-A183 VanDerWaalsContact C-N 3.35Å; A183-F186 PolarHBondContact O-N 3.45Å; A183-D187 WeakPolarHBondContact O-CB 3.28Å; A183-D187 PolarHBondContact O-N 3.43Å; A183-F196 HydrophobicContact CB-CE1 3.61Å; A183-F196 HydrophobicContact CB-CZ 4.23Å; A183-L198 HydrophobicContact CB-CD2 4.06Å |
| 184 | E | 98.8 | Very high | 98.6 | Very high | 50 Ų | 50 | 28.5 Ų | 28.5 | 23% | 0.234 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63 | -40.1 | 174 | -65.5 | 171.1 | 175.5 | 0 | 0 | 112.2 | W13 R80 V180 I181 L182 K188 | W13-E184 HydrophobicContact CZ2-CG 3.96Å; R80-E184 IonicContact CZ-OE2 2.73Å; R80-E184 VanDerWaalsContact CZ-OE2 3.24Å; R80-E184 IonicContact NH1-OE2 2.7Å; R80-E184 PolarHBondContact NH1-OE2 3.18Å; R80-E184 IonicContact NH2-OE2 3.26Å; R80-E184 PolarHBondContact NH2-OE2 3.38Å; V180-E184 WeakPolarHBondContact O-CG 3.37Å; V180-E184 PolarHBondContact O-N 2.97Å; I181-E184 WeakPolarHBondContact O-CB 3.24Å; I181-E184 PolarHBondContact O-N 3.19Å; L182-E184 VanDerWaalsContact C-N 3.33Å; L182-E184 PolarHBondContact O-N 2.88Å; E184-K188 VanDerWaalsContact O-CB 3.27Å; E184-K188 WeakPolarHBondContact O-CB 3.47Å; E184-K188 PolarHBondContact O-N 3.28Å |
| 185 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.8 | -47.8 | 173.5 | -70.9 | 161.8 | 0 | 0 | 0 | 110.1 | I73 E76 Y77 R80 I84 I181 L182 K188 V189 | I73-I185 HydrophobicContact CG2-CG2 4.44Å; E76-I185 HydrophobicContact CB-CG2 3.97Å; E76-I185 HydrophobicContact CG-CB 4.27Å; E76-I185 HydrophobicContact CG-CG1 4.18Å; E76-I185 HydrophobicContact CG-CG2 3.86Å; Y77-I185 HydrophobicContact CD2-CD1 4Å; Y77-I185 HydrophobicContact CG-CD1 4.47Å; R80-I185 HydrophobicContact CB-CD1 3.96Å; R80-I185 HydrophobicContact CB-CG1 4.23Å; R80-I185 HydrophobicContact CG-CD1 3.92Å; R80-I185 HydrophobicContact CG-CG1 3.61Å; I84-I185 HydrophobicContact CD1-CD1 4.49Å; I181-I185 HydrophobicContact CG2-CD1 4.14Å; I181-I185 WeakPolarHBondContact O-CG1 3.46Å; I181-I185 PolarHBondContact O-N 3.42Å; L182-I185 HydrophobicContact CD2-CD1 4.15Å; L182-I185 WeakPolarHBondContact O-CB 3.47Å; L182-I185 PolarHBondContact O-N 3.41Å; I185-K188 WeakPolarHBondContact O-CB 3.43Å; I185-K188 PolarHBondContact O-N 3.29Å; I185-V189 WeakPolarHBondContact O-CG1 2.98Å; I185-V189 WeakPolarHBondContact O-CG2 3.29Å; I185-V189 PolarHBondContact O-N 2.82Å |
| 186 | F | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.9 | -39.7 | -177.6 | -64.9 | -14.4 | 0 | 0 | 0 | 112.9 | I73 F111 L157 F161 L182 A183 G190 V191 F196 | I73-F186 HydrophobicContact CD1-CD1 4.01Å; I73-F186 HydrophobicContact CD1-CE1 3.83Å; I73-F186 HydrophobicContact CG1-CD1 3.99Å; I73-F186 HydrophobicContact CG1-CE1 4.02Å; I73-F186 HydrophobicContact CG2-CD1 4.41Å; I73-F186 HydrophobicContact CG2-CE1 3.78Å; F111-F186 HydrophobicContact CE1-CE1 4.36Å; F111-F186 HydrophobicContact CE1-CZ 4.26Å; F111-F186 HydrophobicContact CZ-CE1 4.1Å; F111-F186 AromaticContact CZ-CZ 3.9Å; F111-F186 HydrophobicContact CZ-CZ 3.9Å; L157-F186 HydrophobicContact CB-CZ 4.44Å; L157-F186 HydrophobicContact CD1-CE2 3.81Å; L157-F186 HydrophobicContact CD1-CZ 3.9Å; L157-F186 HydrophobicContact CD2-CE2 4.36Å; F161-F186 HydrophobicContact CE2-CD1 4.49Å; F161-F186 HydrophobicContact CE2-CD2 4.42Å; F161-F186 HydrophobicContact CE2-CE1 4.08Å; F161-F186 AromaticContact CE2-CE2 3.97Å; F161-F186 HydrophobicContact CE2-CE2 3.97Å; F161-F186 AromaticContact CE2-CZ 3.79Å; F161-F186 HydrophobicContact CE2-CZ 3.79Å; F161-F186 HydrophobicContact CZ-CD2 4.31Å; F161-F186 AromaticContact CZ-CE2 4Å; F161-F186 HydrophobicContact CZ-CE2 4Å; F161-F186 HydrophobicContact CZ-CZ 4.29Å; L182-F186 HydrophobicContact CB-CE2 4.32Å; L182-F186 HydrophobicContact CB-CZ 4.33Å; L182-F186 HydrophobicContact CD2-CZ 4.39Å; L182-F186 WeakPolarHBondContact O-CB 3.37Å; L182-F186 WeakPolarHBondContact O-CD1 3.44Å; L182-F186 WeakPolarHBondContact O-CD2 3.44Å; L182-F186 WeakPolarHBondContact O-CG 3.25Å; L182-F186 PolarHBondContact O-N 3.06Å; A183-F186 PolarHBondContact O-N 3.45Å; F186-G190 PolarHBondContact O-N 3.4Å; F186-V191 HydrophobicContact CB-CB 4.09Å; F186-V191 HydrophobicContact CB-CG2 3.62Å; F186-V191 HydrophobicContact CD1-CG2 4.12Å; F186-V191 HydrophobicContact CG-CG2 3.94Å; F186-V191 PolarHBondContact O-N 2.75Å; F186-F196 HydrophobicContact CB-CD1 4.47Å; F186-F196 HydrophobicContact CD2-CB 4.18Å; F186-F196 AromaticContact CD2-CD1 3.59Å; F186-F196 HydrophobicContact CD2-CD1 3.59Å; F186-F196 AromaticContact CD2-CD2 3.73Å; F186-F196 HydrophobicContact CD2-CD2 3.73Å; F186-F196 AromaticContact CD2-CE1 3.81Å; F186-F196 HydrophobicContact CD2-CE1 3.81Å; F186-F196 AromaticContact CD2-CE2 3.94Å; F186-F196 HydrophobicContact CD2-CE2 3.94Å; F186-F196 AromaticContact CD2-CG 3.53Å; F186-F196 HydrophobicContact CD2-CG 3.53Å; F186-F196 AromaticContact CD2-CZ 3.97Å; F186-F196 HydrophobicContact CD2-CZ 3.97Å; F186-F196 HydrophobicContact CE2-CD1 4.35Å; F186-F196 AromaticContact CE2-CD2 3.7Å; F186-F196 HydrophobicContact CE2-CD2 3.7Å; F186-F196 HydrophobicContact CE2-CE1 4.38Å; F186-F196 AromaticContact CE2-CE2 3.73Å; F186-F196 HydrophobicContact CE2-CE2 3.73Å; F186-F196 HydrophobicContact CE2-CG 4.01Å; F186-F196 HydrophobicContact CE2-CZ 4.07Å |
| 187 | D | 98.8 | Very high | 98.6 | Very high | 76 Ų | 76 | 26 Ų | 26 | 41% | 0.406 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -59 | -48.6 | 171.2 | -168.4 | 72.2 | 0 | 0 | 0 | 110.9 | Y8 A183 V189 G190 | Y8-D187 HydrophobicContact CE2-CB 3.94Å; Y8-D187 WeakPolarHBondContact CE2-OD1 2.91Å; Y8-D187 WeakPolarHBondContact OH-CA 3.5Å; Y8-D187 WeakPolarHBondContact OH-CB 3.43Å; Y8-D187 PolarHBondContact OH-OD1 2.93Å; A183-D187 WeakPolarHBondContact O-CB 3.28Å; A183-D187 PolarHBondContact O-N 3.43Å; D187-V189 PolarHBondContact O-N 3.38Å; D187-G190 PolarHBondContact O-N 3.08Å |
| 188 | K | 98.7 | Very high | 98.6 | Very high | 151 Ų | 151 | 26 Ų | 26 | 66% | 0.657 | 14% | 0.142 | S | C | * | . | H | α-helix | trans | -62.9 | -41.5 | -177.3 | -179.3 | 61.2 | 174.4 | -172.4 | 0 | 113.4 | E76 E184 I185 G190 | E76-K188 HydrophobicContact CG-CB 4.32Å; E76-K188 HydrophobicContact CG-CG 4.09Å; E184-K188 VanDerWaalsContact O-CB 3.27Å; E184-K188 WeakPolarHBondContact O-CB 3.47Å; E184-K188 PolarHBondContact O-N 3.28Å; I185-K188 WeakPolarHBondContact O-CB 3.43Å; I185-K188 PolarHBondContact O-N 3.29Å; K188-G190 VanDerWaalsContact C-N 3.27Å |
| 189 | V | 98.7 | Very high | 98.8 | Very high | 23 Ų | 23 | 26 Ų | 26 | 14% | 0.139 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -81.7 | -8 | -179.4 | -57.3 | 0 | 0 | 0 | 0 | 113.3 | K72 I73 E76 I185 D187 V191 | K72-V189 HydrophobicContact CB-CB 3.99Å; K72-V189 HydrophobicContact CB-CG1 4.18Å; K72-V189 WeakPolarHBondContact O-CG1 3Å; I73-V189 HydrophobicContact CG1-CG2 3.88Å; E76-V189 HydrophobicContact CB-CG1 3.43Å; E76-V189 VanDerWaalsContact CB-CG1 3.43Å; E76-V189 HydrophobicContact CG-CG1 3.93Å; I185-V189 WeakPolarHBondContact O-CG1 2.98Å; I185-V189 WeakPolarHBondContact O-CG2 3.29Å; I185-V189 PolarHBondContact O-N 2.82Å; D187-V189 PolarHBondContact O-N 3.38Å; V189-V191 HydrophobicContact CG2-CG2 4.02Å |
| 190 | G | 97.9 | Very high | 98.8 | Very high | 50 Ų | 50 | 26 Ų | 26 | 52% | 0.515 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 48 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F186 D187 K188 | F186-G190 PolarHBondContact O-N 3.4Å; D187-G190 PolarHBondContact O-N 3.08Å; K188-G190 VanDerWaalsContact C-N 3.27Å |
| 191 | V | 98.8 | Very high | 98.8 | Very high | 12 Ų | 12 | 26.1 Ų | 26.1 | 7% | 0.073 | 14% | 0.142 | C | C | . | . | P | Polyproline II helix | trans | -53.9 | 129.4 | 162.1 | 170.9 | 0 | 0 | 0 | 0 | 107.6 | L69 I73 F186 V189 V195 F196 | L69-V191 HydrophobicContact CD1-CG2 3.94Å; L69-V191 HydrophobicContact CD2-CG2 4.49Å; I73-V191 HydrophobicContact CD1-CG2 4.32Å; F186-V191 HydrophobicContact CB-CB 4.09Å; F186-V191 HydrophobicContact CB-CG2 3.62Å; F186-V191 HydrophobicContact CD1-CG2 4.12Å; F186-V191 HydrophobicContact CG-CG2 3.94Å; F186-V191 PolarHBondContact O-N 2.75Å; V189-V191 HydrophobicContact CG2-CG2 4.02Å; V191-V195 HydrophobicContact CG1-CB 3.87Å; V191-V195 HydrophobicContact CG1-CG1 3.9Å; V191-F196 HydrophobicContact CG1-CB 4.11Å |
| 192 | P | 98.6 | Very high | 98.7 | Very high | 64 Ų | 64 | 27.9 Ų | 27.9 | 42% | 0.416 | 15% | 0.152 | S | C | . | . | P | Polyproline II helix | trans | -55.5 | 143.8 | -177.9 | -25.2 | 33.5 | 0 | 0 | 0 | 112 | G194 V195 | P192-G194 PolarHBondContact O-N 3.27Å; P192-V195 HydrophobicContact CB-CG2 3.85Å; P192-V195 HydrophobicContact CG-CG2 4.3Å; P192-V195 WeakPolarHBondContact O-CB 3.49Å; P192-V195 PolarHBondContact O-N 3.29Å; P192-V195 VanDerWaalsContact O-N 3.12Å |
| 193 | K | 98.8 | Very high | 98.7 | Very high | 110 Ų | 110 | 29.5 Ų | 29.5 | 48% | 0.478 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 138 | 180 | -66.2 | -165.6 | 168.5 | -159.6 | 0 | 110.3 | N10 E12 V54 V195 | N10-K193 WeakPolarHBondContact O-CD 3.13Å; N10-K193 WeakPolarHBondContact OD1-CB 3.3Å; E12-K193 IonicContact OE1-NZ 2.84Å; E12-K193 PolarHBondContact OE1-NZ 3.5Å; V54-K193 WeakPolarHBondContact CG1-O 3.45Å; K193-V195 PolarHBondContact O-N 3.38Å |
| 194 | G | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | -21.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | N10 A50 A51 P192 F196 N197 | N10-G194 PolarHBondContact OD1-N 2.69Å; A50-G194 WeakPolarHBondContact O-CA 3.24Å; A51-G194 VanDerWaalsContact CA-O 3.31Å; A51-G194 WeakPolarHBondContact CA-O 3.37Å; P192-G194 PolarHBondContact O-N 3.27Å; G194-F196 VanDerWaalsContact C-N 3.29Å; G194-F196 PolarHBondContact O-N 2.88Å; G194-N197 PolarHBondContact O-ND2 3Å |
| 195 | V | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -35.9 | 179.5 | 170.2 | 0 | 0 | 0 | 0 | 111.9 | V54 F58 F161 P166 V167 V191 P192 K193 | V54-V195 HydrophobicContact CG2-CG2 4.14Å; F58-V195 HydrophobicContact CB-CG2 4.02Å; F58-V195 HydrophobicContact CD1-CG1 3.79Å; F58-V195 HydrophobicContact CD1-CG2 3.98Å; F58-V195 HydrophobicContact CD2-CG1 4.38Å; F58-V195 HydrophobicContact CD2-CG2 3.87Å; F58-V195 HydrophobicContact CE1-CG1 3.48Å; F58-V195 VanDerWaalsContact CE1-CG1 3.48Å; F58-V195 HydrophobicContact CE1-CG2 4.44Å; F58-V195 HydrophobicContact CE2-CG1 4.12Å; F58-V195 HydrophobicContact CE2-CG2 4.35Å; F58-V195 HydrophobicContact CG-CG1 4.25Å; F58-V195 HydrophobicContact CG-CG2 3.69Å; F58-V195 HydrophobicContact CZ-CG1 3.67Å; F161-V195 HydrophobicContact CD1-CG1 4.03Å; F161-V195 HydrophobicContact CE1-CG1 3.81Å; P166-V195 CarbonylContact C-O 3.56Å; P166-V195 VanDerWaalsContact CA-O 3.31Å; P166-V195 WeakPolarHBondContact CA-O 3.35Å; V167-V195 PolarHBondContact N-O 3.12Å; V191-V195 HydrophobicContact CG1-CB 3.87Å; V191-V195 HydrophobicContact CG1-CG1 3.9Å; P192-V195 HydrophobicContact CB-CG2 3.85Å; P192-V195 HydrophobicContact CG-CG2 4.3Å; P192-V195 WeakPolarHBondContact O-CB 3.49Å; P192-V195 PolarHBondContact O-N 3.29Å; P192-V195 VanDerWaalsContact O-N 3.12Å; K193-V195 PolarHBondContact O-N 3.38Å |
| 196 | F | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 1% | 0.013 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 132.7 | 173.4 | 173.5 | -97.5 | 0 | 0 | 0 | 110.9 | Y8 L157 F161 V167 L169 A183 F186 V191 G194 L198 | Y8-F196 AromaticContact CD1-CD1 3.7Å; Y8-F196 HydrophobicContact CD1-CD1 3.7Å; Y8-F196 AromaticContact CD1-CE1 3.91Å; Y8-F196 HydrophobicContact CD1-CE1 3.91Å; Y8-F196 AromaticContact CE1-CD1 3.91Å; Y8-F196 HydrophobicContact CE1-CD1 3.91Å; Y8-F196 HydrophobicContact CE1-CE1 4.46Å; L157-F196 HydrophobicContact CD1-CE2 4.26Å; L157-F196 HydrophobicContact CD2-CD2 3.64Å; L157-F196 HydrophobicContact CD2-CE2 3.62Å; F161-F196 HydrophobicContact CE1-CB 4.34Å; F161-F196 HydrophobicContact CZ-CB 3.98Å; F161-F196 HydrophobicContact CZ-CD2 4.25Å; F161-F196 HydrophobicContact CZ-CG 4.45Å; V167-F196 HydrophobicContact CG2-CB 4.45Å; V167-F196 HydrophobicContact CG2-CD2 3.75Å; L169-F196 HydrophobicContact CB-CE2 4.06Å; L169-F196 HydrophobicContact CD2-CE2 4.03Å; L169-F196 HydrophobicContact CD2-CZ 4.26Å; A183-F196 HydrophobicContact CB-CE1 3.61Å; A183-F196 HydrophobicContact CB-CZ 4.23Å; F186-F196 HydrophobicContact CB-CD1 4.47Å; F186-F196 HydrophobicContact CD2-CB 4.18Å; F186-F196 AromaticContact CD2-CD1 3.59Å; F186-F196 HydrophobicContact CD2-CD1 3.59Å; F186-F196 AromaticContact CD2-CD2 3.73Å; F186-F196 HydrophobicContact CD2-CD2 3.73Å; F186-F196 AromaticContact CD2-CE1 3.81Å; F186-F196 HydrophobicContact CD2-CE1 3.81Å; F186-F196 AromaticContact CD2-CE2 3.94Å; F186-F196 HydrophobicContact CD2-CE2 3.94Å; F186-F196 AromaticContact CD2-CG 3.53Å; F186-F196 HydrophobicContact CD2-CG 3.53Å; F186-F196 AromaticContact CD2-CZ 3.97Å; F186-F196 HydrophobicContact CD2-CZ 3.97Å; F186-F196 HydrophobicContact CE2-CD1 4.35Å; F186-F196 AromaticContact CE2-CD2 3.7Å; F186-F196 HydrophobicContact CE2-CD2 3.7Å; F186-F196 HydrophobicContact CE2-CE1 4.38Å; F186-F196 AromaticContact CE2-CE2 3.73Å; F186-F196 HydrophobicContact CE2-CE2 3.73Å; F186-F196 HydrophobicContact CE2-CG 4.01Å; F186-F196 HydrophobicContact CE2-CZ 4.07Å; V191-F196 HydrophobicContact CG1-CB 4.11Å; G194-F196 VanDerWaalsContact C-N 3.29Å; G194-F196 PolarHBondContact O-N 2.88Å; F196-L198 HydrophobicContact CE1-CB 3.97Å; F196-L198 HydrophobicContact CZ-CB 3.92Å |
| 197 | N | 99 | Very high | 98.6 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 134.6 | 173.8 | -51.1 | -90.8 | 0 | 0 | 0 | 109.3 | Y8 N10 A47 V167 V168 L169 G194 | Y8-N197 CarbonylContact O-C 3.13Å; Y8-N197 VanDerWaalsContact O-CA 3.28Å; Y8-N197 WeakPolarHBondContact O-CA 3.47Å; N10-N197 PolarHBondContact N-OD1 3.14Å; A47-N197 HydrophobicContact CB-CB 3.81Å; A47-N197 PolarHBondContact O-ND2 3.24Å; V167-N197 PolarHBondContact O-N 3.48Å; V167-N197 PolarHBondContact O-ND2 3.3Å; V167-N197 VanDerWaalsContact O-ND2 3.15Å; V168-N197 WeakPolarHBondContact CA-O 3.4Å; V168-N197 HydrophobicContact CG2-CB 4.31Å; L169-N197 PolarHBondContact N-O 3.47Å; G194-N197 PolarHBondContact O-ND2 3Å |
| 198 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 121.1 | 175.6 | 174.5 | 62.5 | 0 | 0 | 0 | 109.2 | Q7 Y8 L169 P171 A179 V180 A183 F196 | Q7-L198 PolarHBondContact OE1-O 2.81Å; Y8-L198 PolarHBondContact N-O 2.68Å; Y8-L198 VanDerWaalsContact N-O 3.12Å; Y8-L198 PolarHBondContact O-N 3.16Å; L169-L198 HydrophobicContact CB-CD1 4.49Å; L169-L198 HydrophobicContact CD2-CD1 4.2Å; L169-L198 HydrophobicContact CG-CD1 4.22Å; P171-L198 VanDerWaalsContact CD-CD1 3.42Å; P171-L198 HydrophobicContact CG-CD1 3.8Å; A179-L198 HydrophobicContact CB-CD1 4.11Å; V180-L198 HydrophobicContact CG2-CD2 3.98Å; A183-L198 HydrophobicContact CB-CD2 4.06Å; F196-L198 HydrophobicContact CE1-CB 3.97Å; F196-L198 HydrophobicContact CZ-CB 3.92Å |
| 199 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -120.1 | 100.2 | 171.1 | -171.4 | 0 | 0 | 0 | 0 | 108.8 | I9 D43 V44 A47 V168 L169 K170 V206 | I9-V199 HydrophobicContact CD1-CG2 4.46Å; D43-V199 HydrophobicContact CB-CG1 3.84Å; V44-V199 HydrophobicContact CG2-CG1 4.24Å; A47-V199 HydrophobicContact CB-CG2 3.57Å; V168-V199 HydrophobicContact CG1-CG2 4.02Å; L169-V199 PolarHBondContact O-N 3.17Å; K170-V199 WeakPolarHBondContact CA-O 3.3Å; V199-V206 HydrophobicContact CB-CG1 3.92Å; V199-V206 HydrophobicContact CG1-CB 4.43Å; V199-V206 HydrophobicContact CG1-CG1 3.66Å; V199-V206 HydrophobicContact CG1-CG2 3.81Å | ||
| 200 | N | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.011 | 16% | 0.16 | C | C | . | . | trans | -71.4 | 143.2 | 170.2 | -68.1 | -59 | 0 | 0 | 0 | 110.1 | Q7 V36 A37 G39 P171 | Q7-N200 PolarHBondContact NE2-O 3.15Å; V36-N200 HydrophobicContact CB-CB 4.24Å; V36-N200 HydrophobicContact CG2-CB 4.34Å; A37-N200 CarbonylContact O-C 3.59Å; A37-N200 VanDerWaalsContact O-CB 3.31Å; A37-N200 WeakPolarHBondContact O-CB 3.47Å; G39-N200 WeakPolarHBondContact CA-O 3.22Å; G39-N200 PolarHBondContact N-O 3.25Å; P171-N200 VanDerWaalsContact CG-OD1 3.3Å; P171-N200 WeakPolarHBondContact CG-OD1 3.27Å | ||
| 201 | G | 98.6 | Very high | 98.7 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | trans | 157 | 178.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K170 | K170-G201 WeakPolarHBondContact CE-O 3.48Å; K170-G201 PolarHBondContact NZ-O 3.37Å | ||
| 202 | D | 98.1 | Very high | 98.7 | Very high | 40 Ų | 40 | 24.2 Ų | 24.2 | 21% | 0.214 | 15% | 0.15 | C | C | . | . | trans | -81.7 | 175.9 | -177.7 | 67.1 | 40 | 0 | 0 | 0 | 112.6 | I22 K38 A204 G205 V206 G207 | I22-D202 HydrophobicContact CD1-CB 4.48Å; K38-D202 VanDerWaalsContact CE-OD2 3.28Å; K38-D202 WeakPolarHBondContact CE-OD2 3.42Å; D202-A204 VanDerWaalsContact C-N 3.28Å; D202-A204 PolarHBondContact O-N 3.37Å; D202-A204 WeakPolarHBondContact OD1-CA 3.15Å; D202-A204 PolarHBondContact OD1-N 3.01Å; D202-G205 PolarHBondContact OD1-N 3.45Å; D202-V206 PolarHBondContact O-N 3.06Å; D202-V206 VanDerWaalsContact O-N 3.11Å; D202-G207 PolarHBondContact O-N 3.33Å | ||
| 203 | G | 97.8 | Very high | 98.7 | Very high | 35 Ų | 35 | 22.2 Ų | 22.2 | 36% | 0.361 | 14% | 0.135 | S | C | . | . | I | π-helix | trans | -63.2 | -31 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | G207 N208 | G203-G207 CarbonylContact O-C 3.47Å; G203-G207 WeakPolarHBondContact O-CA 3.42Å; G203-G207 PolarHBondContact O-N 3Å; G203-N208 PolarHBondContact O-N 2.77Å |
| 204 | A | 98 | Very high | 98.7 | Very high | 70 Ų | 70 | 21.2 Ų | 21.2 | 58% | 0.579 | 14% | 0.14 | S | C | * | . | I | π-helix | trans | -80 | -42.4 | -177 | 0 | 0 | 0 | 0 | 0 | 112.2 | D202 P209 | D202-A204 VanDerWaalsContact C-N 3.28Å; D202-A204 PolarHBondContact O-N 3.37Å; D202-A204 WeakPolarHBondContact OD1-CA 3.15Å; D202-A204 PolarHBondContact OD1-N 3.01Å; A204-P209 WeakPolarHBondContact O-CD 3.49Å |
| 205 | G | 98.4 | Very high | 98.7 | Very high | 20 Ų | 20 | 24.3 Ų | 24.3 | 21% | 0.206 | 15% | 0.153 | C | C | . | . | I | π-helix | trans | -81.1 | -29.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.1 | N40 K41 D202 P209 | N40-G205 CarbonylContact C-O 3.58Å; N40-G205 VanDerWaalsContact CA-O 3.29Å; N40-G205 WeakPolarHBondContact CA-O 3.38Å; K41-G205 PolarHBondContact N-O 3.16Å; D202-G205 PolarHBondContact OD1-N 3.45Å; G205-P209 WeakPolarHBondContact O-CG 3.49Å |
| 206 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | I | π-helix | trans | -123.2 | -49.4 | -176 | -177.2 | 0 | 0 | 0 | 0 | 112.3 | G39 V44 K170 V199 D202 N208 P209 L210 | G39-V206 WeakPolarHBondContact O-CG2 3.48Å; V44-V206 HydrophobicContact CG2-CB 4.23Å; V44-V206 HydrophobicContact CG2-CG1 3.66Å; K170-V206 HydrophobicContact CB-CG1 3.74Å; K170-V206 HydrophobicContact CG-CB 3.98Å; K170-V206 HydrophobicContact CG-CG1 3.58Å; V199-V206 HydrophobicContact CB-CG1 3.92Å; V199-V206 HydrophobicContact CG1-CB 4.43Å; V199-V206 HydrophobicContact CG1-CG1 3.66Å; V199-V206 HydrophobicContact CG1-CG2 3.81Å; D202-V206 PolarHBondContact O-N 3.06Å; D202-V206 VanDerWaalsContact O-N 3.11Å; V206-N208 PolarHBondContact O-N 3.27Å; V206-P209 WeakPolarHBondContact O-CD 3.28Å; V206-L210 VanDerWaalsContact O-CB 3.24Å; V206-L210 WeakPolarHBondContact O-CB 3.32Å; V206-L210 PolarHBondContact O-N 3Å |
| 207 | G | 98.8 | Very high | 98.6 | Very high | 5 Ų | 5 | 28.7 Ų | 28.7 | 5% | 0.052 | 17% | 0.17 | C | C | . | . | I | π-helix | trans | -61.3 | -46.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | D202 G203 S211 | D202-G207 PolarHBondContact O-N 3.33Å; G203-G207 CarbonylContact O-C 3.47Å; G203-G207 WeakPolarHBondContact O-CA 3.42Å; G203-G207 PolarHBondContact O-N 3Å; G207-S211 WeakPolarHBondContact O-CB 3.4Å; G207-S211 PolarHBondContact O-N 3.29Å; G207-S211 PolarHBondContact O-OG 2.84Å |
| 208 | N | 98.7 | Very high | 98.6 | Very high | 59 Ų | 59 | 28.7 Ų | 28.7 | 32% | 0.316 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -64.9 | -54.5 | 178.3 | -74.2 | -14.8 | 0 | 0 | 0 | 111.9 | G203 V206 L210 S211 E212 K234 | G203-N208 PolarHBondContact O-N 2.77Å; V206-N208 PolarHBondContact O-N 3.27Å; N208-L210 VanDerWaalsContact C-N 3.26Å; N208-L210 PolarHBondContact O-N 3.41Å; N208-S211 PolarHBondContact O-N 3.17Å; N208-S211 VanDerWaalsContact O-N 3.16Å; N208-E212 WeakPolarHBondContact O-CB 3.42Å; N208-E212 WeakPolarHBondContact O-CG 3.15Å; N208-E212 PolarHBondContact O-N 3.11Å; N208-K234 VanDerWaalsContact OD1-CE 3.25Å; N208-K234 WeakPolarHBondContact OD1-CE 3.29Å |
| 209 | P | 98.8 | Very high | 98.6 | Very high | 14 Ų | 14 | 28.7 Ų | 28.7 | 9% | 0.091 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.3 | -39 | 176.7 | -30.1 | 38 | 0 | 0 | 0 | 113.8 | K41 V44 A204 G205 V206 E212 H213 | K41-P209 HydrophobicContact CB-CB 4.06Å; K41-P209 HydrophobicContact CB-CG 3.87Å; K41-P209 HydrophobicContact CG-CB 3.98Å; K41-P209 HydrophobicContact CG-CG 4.26Å; V44-P209 HydrophobicContact CB-CB 4.28Å; V44-P209 HydrophobicContact CG1-CB 4.23Å; V44-P209 HydrophobicContact CG2-CB 4.29Å; A204-P209 WeakPolarHBondContact O-CD 3.49Å; G205-P209 WeakPolarHBondContact O-CG 3.49Å; V206-P209 WeakPolarHBondContact O-CD 3.28Å; P209-E212 PolarHBondContact O-N 2.74Å; P209-H213 WeakPolarHBondContact O-CB 3.41Å; P209-H213 PolarHBondContact O-N 2.89Å |
| 210 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.8 | -44.4 | 178.5 | -177.6 | 62.2 | 0 | 0 | 0 | 111.5 | V44 V48 I143 V168 V206 N208 E212 H213 V216 M219 | V44-L210 HydrophobicContact CG1-CB 4.04Å; V44-L210 HydrophobicContact CG1-CD1 4.14Å; V48-L210 HydrophobicContact CG2-CD1 3.94Å; I143-L210 HydrophobicContact CG1-CD2 4.26Å; V168-L210 HydrophobicContact CB-CD1 3.83Å; V168-L210 HydrophobicContact CG1-CD1 3.89Å; V168-L210 HydrophobicContact CG1-CD2 4.37Å; V168-L210 HydrophobicContact CG2-CD1 4.49Å; V206-L210 VanDerWaalsContact O-CB 3.24Å; V206-L210 WeakPolarHBondContact O-CB 3.32Å; V206-L210 PolarHBondContact O-N 3Å; N208-L210 VanDerWaalsContact C-N 3.26Å; N208-L210 PolarHBondContact O-N 3.41Å; L210-E212 VanDerWaalsContact C-N 3.28Å; L210-E212 PolarHBondContact O-N 3.29Å; L210-H213 PolarHBondContact O-N 2.9Å; L210-V216 HydrophobicContact CD1-CG2 3.91Å; L210-M219 HydrophobicContact CD2-CE 4.25Å; L210-M219 HydrophobicContact CG-CE 4.17Å; L210-M219 HydrophobicContact CG-SD 4.17Å |
| 211 | S | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.1 | -29.4 | 178.5 | -53.3 | 0 | 0 | 0 | 0 | 112.9 | G207 N208 K240 | G207-S211 WeakPolarHBondContact O-CB 3.4Å; G207-S211 PolarHBondContact O-N 3.29Å; G207-S211 PolarHBondContact O-OG 2.84Å; N208-S211 PolarHBondContact O-N 3.17Å; N208-S211 VanDerWaalsContact O-N 3.16Å; S211-K240 WeakPolarHBondContact O-CE 3.36Å; S211-K240 PolarHBondContact O-NZ 3.33Å; S211-K240 VanDerWaalsContact O-NZ 3.08Å |
| 212 | E | 98.7 | Very high | 98.6 | Very high | 83 Ų | 83 | 29.5 Ų | 29.5 | 39% | 0.388 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -90.4 | -10 | -179 | -69.7 | 170.7 | 174.7 | 0 | 0 | 113.4 | N208 P209 L210 K234 | N208-E212 WeakPolarHBondContact O-CB 3.42Å; N208-E212 WeakPolarHBondContact O-CG 3.15Å; N208-E212 PolarHBondContact O-N 3.11Å; P209-E212 PolarHBondContact O-N 2.74Å; L210-E212 VanDerWaalsContact C-N 3.28Å; L210-E212 PolarHBondContact O-N 3.29Å; E212-K234 HydrophobicContact CG-CB 3.89Å; E212-K234 HydrophobicContact CG-CD 3.88Å; E212-K234 HydrophobicContact CG-CG 3.81Å; E212-K234 WeakPolarHBondContact OE1-CD 3.3Å; E212-K234 IonicContact OE1-NZ 2.74Å; E212-K234 PolarHBondContact OE1-NZ 3.2Å |
| 213 | H | 98.8 | Very high | 98.6 | Very high | 22 Ų | 22 | 28.7 Ų | 28.7 | 10% | 0.102 | 17% | 0.174 | C | C | . | . | trans | -71.4 | 126.7 | -170.7 | -162.3 | -76.8 | 0 | 0 | 0 | 111.7 | D45 V48 P209 L210 K215 V216 K240 | D45-H213 IonicContact OD1-CD2 3.55Å; D45-H213 PolarHBondContact OD1-CD2 2.91Å; D45-H213 IonicContact OD1-NE2 2.77Å; V48-H213 VanDerWaalsContact CG1-CE1 3.43Å; V48-H213 WeakPolarHBondContact CG1-CE1 3.41Å; V48-H213 VanDerWaalsContact CG1-ND1 3.33Å; V48-H213 WeakPolarHBondContact CG1-ND1 3.43Å; P209-H213 WeakPolarHBondContact O-CB 3.41Å; P209-H213 PolarHBondContact O-N 2.89Å; L210-H213 PolarHBondContact O-N 2.9Å; H213-K215 VanDerWaalsContact C-N 3.25Å; H213-K215 PolarHBondContact ND1-N 3.28Å; H213-K215 PolarHBondContact O-N 3.42Å; H213-V216 HydrophobicContact CB-CG2 3.96Å; H213-V216 PolarHBondContact O-N 2.74Å; H213-V216 VanDerWaalsContact O-N 3.11Å; H213-K240 WeakPolarHBondContact O-CE 3.44Å; H213-K240 PolarHBondContact O-NZ 3.18Å | ||
| 214 | P | 98.4 | Very high | 98.6 | Very high | 89 Ų | 89 | 29.5 Ų | 29.5 | 58% | 0.578 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -20.7 | -171.8 | 26.5 | -36.2 | 0 | 0 | 0 | 114.4 | ||
| 215 | K | 98.7 | Very high | 98.5 | Very high | 65 Ų | 65 | 27.5 Ų | 27.5 | 28% | 0.283 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -13.7 | 175.9 | -64.7 | -176.5 | 164.4 | -159 | 0 | 114.2 | V48 E49 D52 H213 | V48-K215 HydrophobicContact CG1-CB 3.74Å; E49-K215 IonicContact OE1-NZ 2.84Å; E49-K215 PolarHBondContact OE1-NZ 2.81Å; E49-K215 WeakPolarHBondContact OE2-CE 3.23Å; E49-K215 IonicContact OE2-NZ 2.71Å; E49-K215 PolarHBondContact OE2-NZ 2.84Å; D52-K215 HydrophobicContact CB-CD 4.05Å; D52-K215 WeakPolarHBondContact OD2-CD 3.18Å; D52-K215 VanDerWaalsContact OD2-CE 3.26Å; D52-K215 WeakPolarHBondContact OD2-CE 3.34Å; D52-K215 IonicContact OD2-NZ 3.7Å; D52-K215 PolarHBondContact OD2-NZ 3.46Å; H213-K215 VanDerWaalsContact C-N 3.25Å; H213-K215 PolarHBondContact ND1-N 3.28Å; H213-K215 PolarHBondContact O-N 3.42Å |
| 216 | V | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | trans | -78.1 | 126.4 | 173.5 | 175.4 | 0 | 0 | 0 | 0 | 108 | V48 V139 L210 H213 M218 M219 K240 | V48-V216 HydrophobicContact CG1-CG2 4.11Å; V48-V216 HydrophobicContact CG2-CG2 3.84Å; V139-V216 HydrophobicContact CG1-CG2 4.25Å; L210-V216 HydrophobicContact CD1-CG2 3.91Å; H213-V216 HydrophobicContact CB-CG2 3.96Å; H213-V216 PolarHBondContact O-N 2.74Å; H213-V216 VanDerWaalsContact O-N 3.11Å; V216-M218 VanDerWaalsContact CG1-O 3.29Å; V216-M218 WeakPolarHBondContact CG1-O 3.49Å; V216-M219 HydrophobicContact CG1-CG 4.43Å; V216-M219 HydrophobicContact CG1-SD 3.78Å; V216-K240 HydrophobicContact CB-CD 4.3Å; V216-K240 HydrophobicContact CG1-CD 4.21Å; V216-K240 WeakPolarHBondContact O-CD 3.45Å; V216-K240 WeakPolarHBondContact O-CE 3.4Å; V216-K240 VanDerWaalsContact O-CG 3.31Å; V216-K240 WeakPolarHBondContact O-CG 3.48Å | ||
| 217 | R | 98.6 | Very high | 98.4 | Very high | 97 Ų | 97 | 33.8 Ų | 33.8 | 37% | 0.366 | 20% | 0.197 | S | C | . | . | trans | -101.1 | -19.2 | -178 | -68 | -176.4 | 177.7 | 169.8 | 5.6 | 113.4 | Y55 I137 V139 K240 K241 | Y55-R217 PolarHBondContact OH-NH2 3.02Å; I137-R217 HydrophobicContact CG1-CB 4.08Å; I137-R217 WeakPolarHBondContact O-CD 3.29Å; I137-R217 PolarHBondContact O-NH1 2.91Å; V139-R217 PolarHBondContact O-N 3.47Å; R217-K240 WeakPolarHBondContact O-CA 3.27Å; R217-K240 WeakPolarHBondContact O-CB 3.26Å; R217-K241 PolarHBondContact O-N 2.91Å | ||
| 218 | M | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 135.1 | -179 | -176.4 | -85.8 | 179.5 | 0 | 0 | 111 | I137 V139 S140 G141 V216 S220 K241 S243 E463 F464 | I137-M218 HydrophobicContact CD1-CB 4Å; I137-M218 HydrophobicContact CD1-CG 4.43Å; I137-M218 HydrophobicContact CG1-CB 4.39Å; I137-M218 HydrophobicContact CG2-CB 3.84Å; V139-M218 PolarHBondContact O-N 2.83Å; S140-M218 CarbonylContact C-O 3.59Å; S140-M218 WeakPolarHBondContact CA-O 3.31Å; G141-M218 PolarHBondContact N-O 3.17Å; V216-M218 VanDerWaalsContact CG1-O 3.29Å; V216-M218 WeakPolarHBondContact CG1-O 3.49Å; M218-S220 PolarHBondContact SD-N 2.96Å; M218-K241 CarbonylContact C-O 3.55Å; M218-K241 VanDerWaalsContact CA-O 3.27Å; M218-K241 WeakPolarHBondContact CA-O 3.47Å; M218-K241 HydrophobicContact CB-CB 4.31Å; M218-K241 HydrophobicContact CG-CB 4.05Å; M218-K241 HydrophobicContact CG-CG 4.35Å; M218-S243 VanDerWaalsContact CE-CB 3.4Å; M218-E463 HydrophobicContact CE-CB 4.27Å; M218-F464 HydrophobicContact CE-CE1 4.23Å; M218-F464 HydrophobicContact CE-CZ 4.39Å; M218-F464 HydrophobicContact SD-CD1 4.16Å; M218-F464 HydrophobicContact SD-CE1 3.79Å; M218-F464 HydrophobicContact SD-CZ 4.47Å |
| 219 | M | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 122.2 | 169.3 | -71.2 | -58.6 | -56.4 | 0 | 0 | 110 | G141 I143 L210 V216 I231 K240 K241 V242 S243 | G141-M219 WeakPolarHBondContact O-CA 3.2Å; I143-M219 HydrophobicContact CD1-CE 3.61Å; I143-M219 HydrophobicContact CG1-CE 4Å; L210-M219 HydrophobicContact CD2-CE 4.25Å; L210-M219 HydrophobicContact CG-CE 4.17Å; L210-M219 HydrophobicContact CG-SD 4.17Å; V216-M219 HydrophobicContact CG1-CG 4.43Å; V216-M219 HydrophobicContact CG1-SD 3.78Å; M219-I231 HydrophobicContact CB-CG2 3.99Å; M219-I231 HydrophobicContact CE-CG2 4.48Å; M219-I231 HydrophobicContact CG-CG2 4.28Å; M219-K240 HydrophobicContact CG-CD 4.41Å; M219-K241 PolarHBondContact N-O 2.87Å; M219-V242 HydrophobicContact CB-CG1 4.46Å; M219-V242 WeakPolarHBondContact O-CA 3.24Å; M219-S243 PolarHBondContact O-N 3.25Å |
| 220 | S | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 115.2 | 168.3 | -166.9 | 0 | 0 | 0 | 0 | 108.9 | G141 L142 I143 K156 M218 S243 | G141-S220 PolarHBondContact O-N 2.96Å; L142-S220 WeakPolarHBondContact CA-O 3.48Å; I143-S220 PolarHBondContact N-O 3.06Å; K156-S220 WeakPolarHBondContact CD-OG 3.43Å; K156-S220 PolarHBondContact NZ-OG 3.46Å; M218-S220 PolarHBondContact SD-N 2.96Å; S220-S243 WeakPolarHBondContact CA-O 3.13Å |
| 221 | F | 98.7 | Very high | 98.4 | Very high | 10 Ų | 10 | 39 Ų | 39 | 4% | 0.044 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 132.2 | -178.2 | 170.2 | -106.1 | 0 | 0 | 0 | 110.8 | I143 G223 T227 I231 S243 L244 E245 L246 | I143-F221 HydrophobicContact CB-CD2 3.81Å; I143-F221 HydrophobicContact CG2-CD2 3.56Å; I143-F221 HydrophobicContact CG2-CE2 3.83Å; I143-F221 WeakPolarHBondContact O-CA 3.41Å; F221-G223 VanDerWaalsContact CZ-CA 3.46Å; F221-T227 HydrophobicContact CE1-CG2 4.22Å; F221-T227 HydrophobicContact CE2-CG2 3.74Å; F221-T227 HydrophobicContact CZ-CG2 3.44Å; F221-T227 VanDerWaalsContact CZ-CG2 3.44Å; F221-I231 HydrophobicContact CB-CD1 3.69Å; F221-I231 HydrophobicContact CD1-CD1 3.9Å; F221-I231 HydrophobicContact CD2-CD1 3.2Å; F221-I231 HydrophobicContact CE1-CD1 4.32Å; F221-I231 HydrophobicContact CE2-CD1 3.7Å; F221-I231 HydrophobicContact CG-CD1 3.29Å; F221-I231 HydrophobicContact CZ-CD1 4.22Å; F221-S243 PolarHBondContact N-O 2.98Å; F221-L244 HydrophobicContact CB-CD2 3.95Å; F221-L244 HydrophobicContact CD1-CD2 4.19Å; F221-L244 WeakPolarHBondContact O-CA 3.25Å; F221-E245 PolarHBondContact O-N 3.02Å; F221-L246 HydrophobicContact CD1-CD2 3.69Å; F221-L246 HydrophobicContact CE1-CD2 3.59Å |
| 222 | T | 98.8 | Very high | 98.4 | Very high | 8 Ų | 8 | 43.4 Ų | 43.4 | 5% | 0.049 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 128.9 | 164.5 | -52.1 | 0 | 0 | 0 | 0 | 109.6 | I143 P145 Q152 K156 E245 E455 | I143-T222 PolarHBondContact O-N 3.42Å; P145-T222 VanDerWaalsContact CD-O 3.3Å; P145-T222 WeakPolarHBondContact CD-O 3.38Å; P145-T222 HydrophobicContact CG-CG2 3.83Å; Q152-T222 PolarHBondContact OE1-OG1 3.44Å; K156-T222 WeakPolarHBondContact CE-OG1 3.38Å; K156-T222 PolarHBondContact NZ-OG1 2.61Å; T222-E245 CarbonylContact C-O 3.6Å; T222-E245 WeakPolarHBondContact CA-O 3.29Å; T222-E245 HydrophobicContact CG2-CB 3.82Å; T222-E245 WeakPolarHBondContact CG2-O 3.28Å; T222-E245 WeakPolarHBondContact OG1-CB 3.3Å; T222-E455 PolarHBondContact OG1-OE1 2.87Å |
| 223 | G | 98.1 | Very high | 98.3 | Very high | 22 Ų | 22 | 45.7 Ų | 45.7 | 23% | 0.227 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 161 | -148.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | F221 E245 L246 G247 | F221-G223 VanDerWaalsContact CZ-CA 3.46Å; G223-E245 PolarHBondContact N-O 2.99Å; G223-L246 VanDerWaalsContact O-CA 3.27Å; G223-L246 WeakPolarHBondContact O-CA 3.43Å; G223-G247 PolarHBondContact O-N 2.94Å |
| 224 | S | 97.5 | Very high | 98.3 | Very high | 53 Ų | 53 | 47.1 Ų | 47.1 | 37% | 0.371 | 26% | 0.26 | S | S | . | . | trans | -78.1 | 148.2 | -174.2 | 70.2 | 0 | 0 | 0 | 0 | 113.1 | T227 G228 | S224-T227 PolarHBondContact O-N 3.09Å; S224-T227 VanDerWaalsContact O-N 3.11Å; S224-T227 PolarHBondContact OG-OG1 3.04Å; S224-G228 PolarHBondContact O-N 3.3Å | ||
| 225 | G | 96.9 | Very high | 98.3 | Very high | 28 Ų | 28 | 43 Ų | 43 | 29% | 0.289 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -52.6 | -49.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | T227 G228 S229 | G225-T227 VanDerWaalsContact C-N 3.27Å; G225-T227 PolarHBondContact O-N 3.33Å; G225-G228 PolarHBondContact O-N 2.89Å; G225-G228 VanDerWaalsContact O-N 3.17Å; G225-S229 PolarHBondContact O-N 2.8Å |
| 226 | P | 97.1 | Very high | 98.3 | Very high | 94 Ų | 94 | 42.8 Ų | 42.8 | 61% | 0.61 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -59.5 | -34.3 | 177.1 | -27.5 | 36.2 | 0 | 0 | 0 | 114.1 | K230 | P226-K230 WeakPolarHBondContact O-CG 3.49Å; P226-K230 PolarHBondContact O-N 2.97Å |
| 227 | T | 98.3 | Very high | 98.2 | Very high | 58 Ų | 58 | 50.5 Ų | 50.5 | 36% | 0.356 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -74.9 | -41.1 | 175.7 | -60.5 | 0 | 0 | 0 | 0 | 111 | F221 S224 G225 S229 K230 I231 | F221-T227 HydrophobicContact CE1-CG2 4.22Å; F221-T227 HydrophobicContact CE2-CG2 3.74Å; F221-T227 HydrophobicContact CZ-CG2 3.44Å; F221-T227 VanDerWaalsContact CZ-CG2 3.44Å; S224-T227 PolarHBondContact O-N 3.09Å; S224-T227 VanDerWaalsContact O-N 3.11Å; S224-T227 PolarHBondContact OG-OG1 3.04Å; G225-T227 VanDerWaalsContact C-N 3.27Å; G225-T227 PolarHBondContact O-N 3.33Å; T227-S229 VanDerWaalsContact C-N 3.3Å; T227-S229 PolarHBondContact O-N 2.88Å; T227-K230 PolarHBondContact O-N 3.14Å; T227-K230 VanDerWaalsContact O-N 3.12Å; T227-I231 HydrophobicContact CG2-CD1 4.12Å; T227-I231 PolarHBondContact O-N 2.86Å |
| 228 | G | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.5 | -42.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S224 G225 K230 I231 M232 | S224-G228 PolarHBondContact O-N 3.3Å; G225-G228 PolarHBondContact O-N 2.89Å; G225-G228 VanDerWaalsContact O-N 3.17Å; G228-K230 PolarHBondContact O-N 3.25Å; G228-I231 PolarHBondContact O-N 3.3Å; G228-M232 PolarHBondContact O-N 2.88Å |
| 229 | S | 98.2 | Very high | 98 | Very high | 61 Ų | 61 | 57.9 Ų | 57.9 | 43% | 0.427 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.9 | -46.1 | 174.1 | -169.1 | 0 | 0 | 0 | 0 | 112.1 | G225 T227 I231 M232 E233 | G225-S229 PolarHBondContact O-N 2.8Å; T227-S229 VanDerWaalsContact C-N 3.3Å; T227-S229 PolarHBondContact O-N 2.88Å; S229-I231 VanDerWaalsContact C-N 3.33Å; S229-I231 PolarHBondContact O-N 3.41Å; S229-M232 WeakPolarHBondContact O-CB 3.22Å; S229-M232 PolarHBondContact O-N 2.92Å; S229-E233 WeakPolarHBondContact O-CG 3.37Å; S229-E233 PolarHBondContact O-N 3.35Å; S229-E233 PolarHBondContact OG-OE1 3.37Å |
| 230 | K | 98.5 | Very high | 98 | Very high | 120 Ų | 120 | 58.6 Ų | 58.6 | 52% | 0.522 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.8 | -36.6 | 178.6 | -69.9 | 173.6 | -177.6 | 178.3 | 0 | 112.6 | P226 T227 G228 K234 | P226-K230 WeakPolarHBondContact O-CG 3.49Å; P226-K230 PolarHBondContact O-N 2.97Å; T227-K230 PolarHBondContact O-N 3.14Å; T227-K230 VanDerWaalsContact O-N 3.12Å; G228-K230 PolarHBondContact O-N 3.25Å; K230-K234 VanDerWaalsContact O-CG 3.29Å; K230-K234 WeakPolarHBondContact O-CG 3.32Å; K230-K234 PolarHBondContact O-N 3.13Å; K230-K234 VanDerWaalsContact O-N 3.12Å |
| 231 | I | 98.6 | Very high | 97.9 | Very high | 7 Ų | 7 | 61.7 Ų | 61.7 | 4% | 0.036 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.6 | -44 | 175 | -70.3 | 169.2 | 0 | 0 | 0 | 109.7 | I143 M219 F221 T227 G228 S229 E233 K234 A235 | I143-I231 HydrophobicContact CD1-CD1 4.02Å; M219-I231 HydrophobicContact CB-CG2 3.99Å; M219-I231 HydrophobicContact CE-CG2 4.48Å; M219-I231 HydrophobicContact CG-CG2 4.28Å; F221-I231 HydrophobicContact CB-CD1 3.69Å; F221-I231 HydrophobicContact CD1-CD1 3.9Å; F221-I231 HydrophobicContact CD2-CD1 3.2Å; F221-I231 HydrophobicContact CE1-CD1 4.32Å; F221-I231 HydrophobicContact CE2-CD1 3.7Å; F221-I231 HydrophobicContact CG-CD1 3.29Å; F221-I231 HydrophobicContact CZ-CD1 4.22Å; T227-I231 HydrophobicContact CG2-CD1 4.12Å; T227-I231 PolarHBondContact O-N 2.86Å; G228-I231 PolarHBondContact O-N 3.3Å; S229-I231 VanDerWaalsContact C-N 3.33Å; S229-I231 PolarHBondContact O-N 3.41Å; I231-E233 PolarHBondContact O-N 3.03Å; I231-K234 PolarHBondContact O-N 2.83Å; I231-A235 VanDerWaalsContact O-CB 3.29Å; I231-A235 WeakPolarHBondContact O-CB 3.44Å; I231-A235 PolarHBondContact O-N 3.04Å |
| 232 | M | 98.3 | Very high | 97.9 | Very high | 91 Ų | 91 | 62.5 Ų | 62.5 | 45% | 0.448 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 176.2 | -171.8 | 175 | -176.6 | 0 | 0 | 112.4 | G228 S229 K234 A235 A236 V242 L244 L452 | G228-M232 PolarHBondContact O-N 2.88Å; S229-M232 WeakPolarHBondContact O-CB 3.22Å; S229-M232 PolarHBondContact O-N 2.92Å; M232-K234 VanDerWaalsContact C-N 3.31Å; M232-K234 PolarHBondContact O-N 2.91Å; M232-A235 PolarHBondContact O-N 3.37Å; M232-A236 PolarHBondContact O-N 2.73Å; M232-A236 VanDerWaalsContact O-N 3.08Å; M232-V242 HydrophobicContact CG-CG2 4.27Å; M232-L244 HydrophobicContact CB-CD1 4.39Å; M232-L244 HydrophobicContact SD-CD1 4.48Å; M232-L452 HydrophobicContact CE-CD1 4.15Å; M232-L452 HydrophobicContact SD-CD1 4.22Å |
| 233 | E | 98.6 | Very high | 97.9 | Very high | 132 Ų | 132 | 62.1 Ų | 62.1 | 62% | 0.617 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -58.8 | -41.4 | 175 | -74.1 | 165.6 | -153.7 | 0 | 0 | 112.2 | S229 I231 A236 | S229-E233 WeakPolarHBondContact O-CG 3.37Å; S229-E233 PolarHBondContact O-N 3.35Å; S229-E233 PolarHBondContact OG-OE1 3.37Å; I231-E233 PolarHBondContact O-N 3.03Å; E233-A236 WeakPolarHBondContact O-CB 3.44Å |
| 234 | K | 98.4 | Very high | 97.9 | Very high | 52 Ų | 52 | 61.4 Ų | 61.4 | 23% | 0.226 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -71.9 | -39.9 | 178.2 | -71.5 | 173.1 | -171.2 | -49.6 | 0 | 112.4 | N208 E212 K230 I231 M232 A236 K237 | N208-K234 VanDerWaalsContact OD1-CE 3.25Å; N208-K234 WeakPolarHBondContact OD1-CE 3.29Å; E212-K234 HydrophobicContact CG-CB 3.89Å; E212-K234 HydrophobicContact CG-CD 3.88Å; E212-K234 HydrophobicContact CG-CG 3.81Å; E212-K234 WeakPolarHBondContact OE1-CD 3.3Å; E212-K234 IonicContact OE1-NZ 2.74Å; E212-K234 PolarHBondContact OE1-NZ 3.2Å; K230-K234 VanDerWaalsContact O-CG 3.29Å; K230-K234 WeakPolarHBondContact O-CG 3.32Å; K230-K234 PolarHBondContact O-N 3.13Å; K230-K234 VanDerWaalsContact O-N 3.12Å; I231-K234 PolarHBondContact O-N 2.83Å; M232-K234 VanDerWaalsContact C-N 3.31Å; M232-K234 PolarHBondContact O-N 2.91Å; K234-A236 PolarHBondContact O-N 2.79Å; K234-K237 PolarHBondContact O-N 3.31Å |
| 235 | A | 98.2 | Very high | 98 | Very high | 2 Ų | 2 | 59 Ų | 59 | 2% | 0.017 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.5 | -33 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I231 M232 K237 D238 F239 K240 V242 | I231-A235 VanDerWaalsContact O-CB 3.29Å; I231-A235 WeakPolarHBondContact O-CB 3.44Å; I231-A235 PolarHBondContact O-N 3.04Å; M232-A235 PolarHBondContact O-N 3.37Å; A235-K237 PolarHBondContact O-N 3.17Å; A235-D238 PolarHBondContact O-N 3.41Å; A235-F239 PolarHBondContact O-N 3.08Å; A235-K240 HydrophobicContact CB-CB 3.99Å; A235-K240 HydrophobicContact CB-CD 4.47Å; A235-K240 HydrophobicContact CB-CG 4.46Å; A235-K240 PolarHBondContact O-N 2.86Å; A235-K240 VanDerWaalsContact O-N 3.13Å; A235-V242 HydrophobicContact CB-CG1 3.45Å; A235-V242 VanDerWaalsContact CB-CG1 3.45Å |
| 236 | A | 98.3 | Very high | 98.1 | Very high | 60 Ų | 60 | 58.4 Ų | 58.4 | 50% | 0.496 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -60 | -28.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | M232 E233 K234 D238 F239 | M232-A236 PolarHBondContact O-N 2.73Å; M232-A236 VanDerWaalsContact O-N 3.08Å; E233-A236 WeakPolarHBondContact O-CB 3.44Å; K234-A236 PolarHBondContact O-N 2.79Å; A236-D238 VanDerWaalsContact C-N 3.25Å; A236-D238 PolarHBondContact O-N 3.19Å; A236-F239 PolarHBondContact O-N 3.2Å |
| 237 | K | 96.9 | Very high | 98.1 | Very high | 164 Ų | 164 | 54 Ų | 54 | 71% | 0.713 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -59.2 | -35.9 | -179.2 | -175.5 | -179 | 174.8 | -171.2 | 0 | 113 | K234 A235 | K234-K237 PolarHBondContact O-N 3.31Å; A235-K237 PolarHBondContact O-N 3.17Å |
| 238 | D | 95.9 | Very high | 98 | Very high | 59 Ų | 59 | 51.5 Ų | 51.5 | 32% | 0.316 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -118.4 | 18.9 | -178.8 | -52.2 | -72.5 | 0 | 0 | 0 | 111.8 | A235 A236 K240 | A235-D238 PolarHBondContact O-N 3.41Å; A236-D238 VanDerWaalsContact C-N 3.25Å; A236-D238 PolarHBondContact O-N 3.19Å; D238-K240 HydrophobicContact CB-CG 4.23Å; D238-K240 PolarHBondContact O-N 3.34Å; D238-K240 IonicContact OD2-NZ 2.98Å; D238-K240 PolarHBondContact OD2-NZ 3.42Å |
| 239 | F | 96.6 | Very high | 98 | Very high | 193 Ų | 193 | 51.6 Ų | 51.6 | 85% | 0.846 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 41.5 | 179.5 | -61.5 | -89.6 | 0 | 0 | 0 | 113.9 | A235 A236 | A235-F239 PolarHBondContact O-N 3.08Å; A236-F239 PolarHBondContact O-N 3.2Å |
| 240 | K | 98.2 | Very high | 98 | Very high | 15 Ų | 15 | 48.8 Ų | 48.8 | 7% | 0.065 | 24% | 0.237 | C | C | . | . | trans | -68.7 | 142.5 | 179.3 | -48.6 | -177.7 | 177.9 | 74.9 | 0 | 110 | S211 H213 V216 R217 M219 A235 D238 | S211-K240 WeakPolarHBondContact O-CE 3.36Å; S211-K240 PolarHBondContact O-NZ 3.33Å; S211-K240 VanDerWaalsContact O-NZ 3.08Å; H213-K240 WeakPolarHBondContact O-CE 3.44Å; H213-K240 PolarHBondContact O-NZ 3.18Å; V216-K240 HydrophobicContact CB-CD 4.3Å; V216-K240 HydrophobicContact CG1-CD 4.21Å; V216-K240 WeakPolarHBondContact O-CD 3.45Å; V216-K240 WeakPolarHBondContact O-CE 3.4Å; V216-K240 VanDerWaalsContact O-CG 3.31Å; V216-K240 WeakPolarHBondContact O-CG 3.48Å; R217-K240 WeakPolarHBondContact O-CA 3.27Å; R217-K240 WeakPolarHBondContact O-CB 3.26Å; M219-K240 HydrophobicContact CG-CD 4.41Å; A235-K240 HydrophobicContact CB-CB 3.99Å; A235-K240 HydrophobicContact CB-CD 4.47Å; A235-K240 HydrophobicContact CB-CG 4.46Å; A235-K240 PolarHBondContact O-N 2.86Å; A235-K240 VanDerWaalsContact O-N 3.13Å; D238-K240 HydrophobicContact CB-CG 4.23Å; D238-K240 PolarHBondContact O-N 3.34Å; D238-K240 IonicContact OD2-NZ 2.98Å; D238-K240 PolarHBondContact OD2-NZ 3.42Å | ||
| 241 | K | 98.4 | Very high | 98.1 | Very high | 66 Ų | 66 | 43.3 Ų | 43.3 | 29% | 0.287 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 140.9 | 165.8 | -174.4 | 174 | 179.9 | -176.1 | 0 | 108.9 | I137 R217 M218 M219 E462 E463 | I137-K241 HydrophobicContact CD1-CB 3.68Å; I137-K241 HydrophobicContact CD1-CD 3.71Å; I137-K241 HydrophobicContact CD1-CG 4.35Å; R217-K241 PolarHBondContact O-N 2.91Å; M218-K241 CarbonylContact C-O 3.55Å; M218-K241 VanDerWaalsContact CA-O 3.27Å; M218-K241 WeakPolarHBondContact CA-O 3.47Å; M218-K241 HydrophobicContact CB-CB 4.31Å; M218-K241 HydrophobicContact CG-CB 4.05Å; M218-K241 HydrophobicContact CG-CG 4.35Å; M219-K241 PolarHBondContact N-O 2.87Å; K241-E462 PolarHBondContact NZ-O 3.44Å; K241-E463 WeakPolarHBondContact CD-O 3.4Å; K241-E463 VanDerWaalsContact CE-O 3.31Å; K241-E463 WeakPolarHBondContact CE-O 3.34Å; K241-E463 WeakPolarHBondContact CE-OE2 3.29Å; K241-E463 PolarHBondContact NZ-O 3.5Å; K241-E463 IonicContact NZ-OE2 3.4Å |
| 242 | V | 98.5 | Very high | 98.1 | Very high | 27 Ų | 27 | 43 Ų | 43 | 16% | 0.164 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 127.6 | 176.7 | -64.6 | 0 | 0 | 0 | 0 | 110.1 | M219 M232 A235 L244 L452 | M219-V242 HydrophobicContact CB-CG1 4.46Å; M219-V242 WeakPolarHBondContact O-CA 3.24Å; M232-V242 HydrophobicContact CG-CG2 4.27Å; A235-V242 HydrophobicContact CB-CG1 3.45Å; A235-V242 VanDerWaalsContact CB-CG1 3.45Å; V242-L244 HydrophobicContact CB-CD2 4.44Å; V242-L244 HydrophobicContact CB-CG 4.37Å; V242-L452 HydrophobicContact CG2-CD1 4.36Å |
| 243 | S | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.007 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 120.2 | 166.2 | 173 | 0 | 0 | 0 | 0 | 107.1 | M218 M219 S220 F221 L452 | M218-S243 VanDerWaalsContact CE-CB 3.4Å; M219-S243 PolarHBondContact O-N 3.25Å; S220-S243 WeakPolarHBondContact CA-O 3.13Å; F221-S243 PolarHBondContact N-O 2.98Å; S243-L452 CarbonylContact C-O 3.56Å; S243-L452 WeakPolarHBondContact CA-O 3.39Å |
| 244 | L | 98.6 | Very high | 98.1 | Very high | 6 Ų | 6 | 32.4 Ų | 32.4 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 116.3 | -172.2 | -58.1 | -179.8 | 0 | 0 | 0 | 108.6 | F221 M232 V242 L246 G451 L452 | F221-L244 HydrophobicContact CB-CD2 3.95Å; F221-L244 HydrophobicContact CD1-CD2 4.19Å; F221-L244 WeakPolarHBondContact O-CA 3.25Å; M232-L244 HydrophobicContact CB-CD1 4.39Å; M232-L244 HydrophobicContact SD-CD1 4.48Å; V242-L244 HydrophobicContact CB-CD2 4.44Å; V242-L244 HydrophobicContact CB-CG 4.37Å; L244-L246 HydrophobicContact CB-CD1 4.12Å; L244-L246 HydrophobicContact CB-CD2 4.16Å; L244-L246 HydrophobicContact CB-CG 4.03Å; L244-L246 HydrophobicContact CD1-CD1 4.46Å; L244-G451 CarbonylContact O-C 3.51Å; L244-G451 WeakPolarHBondContact O-CA 3.49Å; L244-L452 HydrophobicContact CD1-CD1 4.3Å; L244-L452 PolarHBondContact N-O 3.32Å; L244-L452 PolarHBondContact O-N 3.31Å |
| 245 | E | 98.5 | Very high | 98.1 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.019 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 103.8 | 171.3 | -80.4 | -62.2 | 120.4 | 0 | 0 | 109.2 | F221 T222 G223 L407 F444 G445 G446 E455 | F221-E245 PolarHBondContact O-N 3.02Å; T222-E245 CarbonylContact C-O 3.6Å; T222-E245 WeakPolarHBondContact CA-O 3.29Å; T222-E245 HydrophobicContact CG2-CB 3.82Å; T222-E245 WeakPolarHBondContact CG2-O 3.28Å; T222-E245 WeakPolarHBondContact OG1-CB 3.3Å; G223-E245 PolarHBondContact N-O 2.99Å; E245-L407 WeakPolarHBondContact OE2-CD1 3.44Å; E245-F444 VanDerWaalsContact OE2-CE1 3.29Å; E245-F444 WeakPolarHBondContact OE2-CE1 3.5Å; E245-G445 VanDerWaalsContact CD-CA 3.41Å; E245-G445 WeakPolarHBondContact OE1-CA 3.21Å; E245-G445 VanDerWaalsContact OE2-CA 3.3Å; E245-G445 WeakPolarHBondContact OE2-CA 3.36Å; E245-G446 PolarHBondContact OE1-N 3.27Å; E245-E455 HydrophobicContact CG-CG 3.74Å |
| 246 | L | 98.5 | Very high | 98.1 | Very high | 14 Ų | 14 | 33.6 Ų | 33.6 | 7% | 0.073 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 178.4 | -165.8 | -50.5 | 174.2 | 0 | 0 | 0 | 111.8 | F221 G223 L244 S450 | F221-L246 HydrophobicContact CD1-CD2 3.69Å; F221-L246 HydrophobicContact CE1-CD2 3.59Å; G223-L246 VanDerWaalsContact O-CA 3.27Å; G223-L246 WeakPolarHBondContact O-CA 3.43Å; L244-L246 HydrophobicContact CB-CD1 4.12Å; L244-L246 HydrophobicContact CB-CD2 4.16Å; L244-L246 HydrophobicContact CB-CG 4.03Å; L244-L246 HydrophobicContact CD1-CD1 4.46Å; L246-S450 WeakPolarHBondContact CA-O 3.37Å; L246-S450 WeakPolarHBondContact CB-O 3.49Å; L246-S450 PolarHBondContact N-O 3.42Å |
| 247 | G | 96.7 | Very high | 98.1 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | trans | -58 | 169.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | G223 E379 Y405 S450 | G223-G247 PolarHBondContact O-N 2.94Å; G247-E379 VanDerWaalsContact CA-OE1 3.23Å; G247-E379 WeakPolarHBondContact CA-OE1 3Å; G247-E379 WeakPolarHBondContact CA-OE2 3.38Å; G247-Y405 VanDerWaalsContact O-CD1 3.23Å; G247-Y405 WeakPolarHBondContact O-CD1 3.35Å; G247-S450 WeakPolarHBondContact O-CB 3.36Å; G247-S450 PolarHBondContact O-OG 3.36Å | ||
| 248 | G | 97.7 | Very high | 98.1 | Very high | 4 Ų | 4 | 25.8 Ų | 25.8 | 4% | 0.041 | 13% | 0.129 | C | C | . | . | trans | -143.8 | 169.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | C279 E379 | G248-C279 WeakPolarHBondContact CA-O 3.27Å; G248-E379 PolarHBondContact N-OE1 3.12Å; G248-E379 VanDerWaalsContact O-CB 3.31Å; G248-E379 WeakPolarHBondContact O-CB 3.4Å; G248-E379 WeakPolarHBondContact O-CG 2.86Å | ||
| 249 | K | 98.2 | Very high | 98.3 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.009 | 13% | 0.13 | C | C | . | . | trans | -144.6 | 58.1 | 170.5 | -165.4 | 54.3 | 173.4 | -164.5 | 0 | 110.2 | T283 R284 I375 A376 E378 Y405 | K249-T283 WeakPolarHBondContact CD-OG1 3.4Å; K249-R284 HydrophobicContact CD-CG 4.48Å; K249-R284 HydrophobicContact CG-CG 4.21Å; K249-R284 PolarHBondContact O-NE 3.2Å; K249-R284 PolarHBondContact O-NH2 3.33Å; K249-R284 VanDerWaalsContact O-NH2 3.07Å; K249-I375 WeakPolarHBondContact CE-O 3.49Å; K249-I375 PolarHBondContact NZ-O 3.25Å; K249-A376 VanDerWaalsContact CE-O 3.26Å; K249-A376 WeakPolarHBondContact CE-O 3.39Å; K249-A376 WeakPolarHBondContact CG-O 3.22Å; K249-E378 VanDerWaalsContact CD-O 3.23Å; K249-E378 WeakPolarHBondContact CD-O 3.3Å; K249-E378 WeakPolarHBondContact CE-O 3.47Å; K249-E378 PolarHBondContact NZ-O 2.9Å; K249-Y405 HydrophobicContact CB-CD2 3.47Å; K249-Y405 VanDerWaalsContact CB-CD2 3.47Å; K249-Y405 HydrophobicContact CB-CE2 4Å; K249-Y405 HydrophobicContact CB-CG 4.24Å | ||
| 250 | S | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 19.2 Ų | 19.2 | 2% | 0.021 | 10% | 0.102 | C | C | . | . | trans | -63.3 | 132 | -161.6 | -67.4 | 0 | 0 | 0 | 0 | 112.9 | A281 G282 T283 R284 A408 | S250-A281 WeakPolarHBondContact CB-O 3.29Å; S250-G282 CarbonylContact O-C 3.57Å; S250-T283 PolarHBondContact O-N 3.32Å; S250-R284 PolarHBondContact O-N 3.41Å; S250-A408 WeakPolarHBondContact CA-O 3.01Å; S250-A408 WeakPolarHBondContact CB-O 3.35Å; S250-A408 VanDerWaalsContact OG-C 3.31Å; S250-A408 WeakPolarHBondContact OG-CB 3.26Å; S250-A408 PolarHBondContact OG-N 2.83Å; S250-A408 PolarHBondContact OG-O 2.93Å | ||
| 251 | P | 98.8 | Very high | 98.4 | Very high | 5 Ų | 5 | 24.3 Ų | 24.3 | 3% | 0.032 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 144.7 | 171.3 | 32.7 | -34.2 | 0 | 0 | 0 | 110.8 | R284 L286 A400 G409 Y410 I426 | P251-R284 CarbonylContact C-O 3.54Å; P251-R284 WeakPolarHBondContact CA-O 3.18Å; P251-L286 HydrophobicContact CB-CD1 4.13Å; P251-A400 HydrophobicContact CB-CB 3.65Å; P251-A400 HydrophobicContact CG-CB 3.77Å; P251-G409 WeakPolarHBondContact O-CA 3.37Å; P251-Y410 WeakPolarHBondContact O-CD2 3.38Å; P251-Y410 PolarHBondContact O-N 3.34Å; P251-I426 HydrophobicContact CG-CG2 4.43Å |
| 252 | Y | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 100.2 | 170.4 | -160.7 | -61.5 | 0 | 0 | 0 | 108.4 | V254 A266 T267 K270 R284 L286 Y410 I412 E435 | Y252-V254 HydrophobicContact CD1-CG2 4.27Å; Y252-V254 PolarHBondContact O-N 3.25Å; Y252-A266 WeakPolarHBondContact OH-CB 3.46Å; Y252-T267 HydrophobicContact CD1-CG2 3.48Å; Y252-T267 VanDerWaalsContact CD1-CG2 3.48Å; Y252-T267 HydrophobicContact CD2-CG2 4.38Å; Y252-T267 HydrophobicContact CE1-CG2 3.65Å; Y252-T267 HydrophobicContact CG-CG2 3.89Å; Y252-K270 HydrophobicContact CD2-CB 4.24Å; Y252-K270 HydrophobicContact CD2-CG 3.71Å; Y252-K270 HydrophobicContact CE2-CB 4.36Å; Y252-K270 HydrophobicContact CE2-CD 4.43Å; Y252-K270 HydrophobicContact CE2-CG 3.43Å; Y252-K270 VanDerWaalsContact CE2-CG 3.43Å; Y252-R284 PolarHBondContact N-O 2.93Å; Y252-L286 PolarHBondContact O-N 3.19Å; Y252-Y410 AromaticContact CD2-CD2 3.69Å; Y252-Y410 HydrophobicContact CD2-CD2 3.69Å; Y252-Y410 AromaticContact CD2-CG 3.59Å; Y252-Y410 HydrophobicContact CD2-CG 3.59Å; Y252-Y410 HydrophobicContact CE2-CD1 4.36Å; Y252-Y410 HydrophobicContact CE2-CD2 4.33Å; Y252-Y410 AromaticContact CE2-CG 3.83Å; Y252-Y410 HydrophobicContact CE2-CG 3.83Å; Y252-Y410 HydrophobicContact CG-CD2 4.39Å; Y252-Y410 HydrophobicContact CG-CG 4.35Å; Y252-I412 HydrophobicContact CD1-CG2 4.47Å; Y252-I412 HydrophobicContact CE1-CB 3.9Å; Y252-I412 HydrophobicContact CE1-CG2 3.59Å; Y252-E435 WeakPolarHBondContact CE2-OE1 3.43Å; Y252-E435 VanDerWaalsContact CZ-OE1 3.29Å; Y252-E435 PolarHBondContact OH-OE1 3.42Å |
| 253 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 115.7 | -177.9 | -61.9 | 172.5 | 0 | 0 | 0 | 109.2 | L255 L286 Y390 A396 A400 Y410 V411 I412 V422 I426 | I253-L255 HydrophobicContact CG2-CD2 4.06Å; I253-L286 HydrophobicContact CG1-CB 4.27Å; I253-L286 HydrophobicContact CG1-CD2 4.18Å; I253-Y390 HydrophobicContact CG2-CE1 4.46Å; I253-A396 HydrophobicContact CG2-CB 4.37Å; I253-A400 HydrophobicContact CD1-CB 3.83Å; I253-A400 HydrophobicContact CG1-CB 4.34Å; I253-Y410 PolarHBondContact N-O 3.33Å; I253-V411 HydrophobicContact CB-CB 4.5Å; I253-V411 HydrophobicContact CB-CG2 4.29Å; I253-V411 HydrophobicContact CG2-CG2 4.33Å; I253-V411 VanDerWaalsContact O-CA 3.3Å; I253-V411 WeakPolarHBondContact O-CA 3.29Å; I253-I412 PolarHBondContact O-N 3.14Å; I253-V422 HydrophobicContact CB-CG1 4.4Å; I253-V422 HydrophobicContact CD1-CG1 3.57Å; I253-I426 HydrophobicContact CD1-CD1 4.17Å; I253-I426 HydrophobicContact CD1-CG1 4.24Å |
| 254 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 121.1 | 169.4 | -177.6 | 0 | 0 | 0 | 0 | 107.7 | Y252 V258 A263 T267 V285 L286 P288 I291 F295 Y390 I412 | Y252-V254 HydrophobicContact CD1-CG2 4.27Å; Y252-V254 PolarHBondContact O-N 3.25Å; V254-V258 HydrophobicContact CG1-CB 4.42Å; V254-V258 HydrophobicContact CG1-CG1 3.69Å; V254-A263 HydrophobicContact CG1-CB 3.91Å; V254-T267 HydrophobicContact CG2-CG2 4.07Å; V254-V285 HydrophobicContact CG2-CG1 4.01Å; V254-L286 WeakPolarHBondContact CB-O 3.3Å; V254-L286 PolarHBondContact N-O 3.19Å; V254-P288 VanDerWaalsContact O-CD 3.26Å; V254-P288 WeakPolarHBondContact O-CD 2.94Å; V254-I291 HydrophobicContact CG1-CD1 4.25Å; V254-F295 HydrophobicContact CG2-CE2 4.24Å; V254-F295 HydrophobicContact CG2-CZ 4.29Å; V254-Y390 PolarHBondContact O-OH 2.78Å; V254-I412 HydrophobicContact CB-CG2 4.3Å; V254-I412 HydrophobicContact CG1-CG2 4.23Å; V254-I412 HydrophobicContact CG2-CG2 4.12Å |
| 255 | L | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | trans | -80.7 | 163.3 | 173 | -60.9 | -178.4 | 0 | 0 | 0 | 110.9 | I253 D257 V258 L393 V411 I412 T418 L419 V422 | I253-L255 HydrophobicContact CG2-CD2 4.06Å; L255-D257 WeakPolarHBondContact CB-OD1 3.47Å; L255-V258 WeakPolarHBondContact O-CB 3.33Å; L255-V258 VanDerWaalsContact O-CG1 3.24Å; L255-V258 WeakPolarHBondContact O-CG1 3.22Å; L255-L393 HydrophobicContact CD2-CD1 3.73Å; L255-V411 HydrophobicContact CD1-CG2 3.97Å; L255-V411 HydrophobicContact CD2-CG2 4.15Å; L255-V411 HydrophobicContact CG-CG2 3.85Å; L255-I412 VanDerWaalsContact CB-O 3.29Å; L255-I412 WeakPolarHBondContact CB-O 3.47Å; L255-I412 WeakPolarHBondContact CG-O 3.28Å; L255-I412 PolarHBondContact N-O 2.84Å; L255-T418 HydrophobicContact CD1-CG2 3.63Å; L255-T418 HydrophobicContact CD2-CG2 3.92Å; L255-T418 HydrophobicContact CG-CG2 4.43Å; L255-L419 HydrophobicContact CD1-CD2 3.66Å; L255-L419 HydrophobicContact CD1-CG 4.01Å; L255-V422 HydrophobicContact CD2-CG2 4.26Å | ||
| 256 | D | 97.4 | Very high | 98.4 | Very high | 78 Ų | 78 | 32.8 Ų | 32.8 | 42% | 0.417 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -22.8 | -175.7 | 56.7 | -6.4 | 0 | 0 | 0 | 115.5 | V258 P288 K290 | D256-V258 VanDerWaalsContact C-N 3.3Å; D256-P288 HydrophobicContact CB-CG 4.07Å; D256-K290 VanDerWaalsContact CB-NZ 3.26Å; D256-K290 WeakPolarHBondContact OD2-CE 3.5Å; D256-K290 IonicContact OD2-NZ 2.61Å; D256-K290 PolarHBondContact OD2-NZ 2.87Å |
| 257 | D | 97.5 | Very high | 98.4 | Very high | 45 Ų | 45 | 32.1 Ų | 32.1 | 24% | 0.241 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -1 | -179.6 | 70.2 | -14.1 | 0 | 0 | 0 | 113.5 | L255 G413 K414 D415 | L255-D257 WeakPolarHBondContact CB-OD1 3.47Å; D257-G413 WeakPolarHBondContact OD1-CA 3.21Å; D257-K414 VanDerWaalsContact CG-N 3.34Å; D257-K414 WeakPolarHBondContact O-CD 3.37Å; D257-K414 WeakPolarHBondContact O-CE 3.43Å; D257-K414 PolarHBondContact O-NZ 3.43Å; D257-K414 PolarHBondContact OD1-N 3.41Å; D257-K414 WeakPolarHBondContact OD2-CA 3.19Å; D257-K414 WeakPolarHBondContact OD2-CB 3.34Å; D257-K414 PolarHBondContact OD2-N 3.13Å; D257-D415 WeakPolarHBondContact OD2-CB 3.37Å; D257-D415 PolarHBondContact OD2-N 3.42Å |
| 258 | V | 98.4 | Very high | 98.5 | Very high | 15 Ų | 15 | 32.3 Ų | 32.3 | 9% | 0.091 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -61.3 | 156.4 | -176.7 | 79.5 | 0 | 0 | 0 | 0 | 112.3 | V254 L255 D256 I260 A263 I291 I412 | V254-V258 HydrophobicContact CG1-CB 4.42Å; V254-V258 HydrophobicContact CG1-CG1 3.69Å; L255-V258 WeakPolarHBondContact O-CB 3.33Å; L255-V258 VanDerWaalsContact O-CG1 3.24Å; L255-V258 WeakPolarHBondContact O-CG1 3.22Å; D256-V258 VanDerWaalsContact C-N 3.3Å; V258-I260 PolarHBondContact O-N 2.69Å; V258-A263 HydrophobicContact CB-CB 4.46Å; V258-A263 HydrophobicContact CG1-CB 3.86Å; V258-A263 HydrophobicContact CG2-CB 3.78Å; V258-I291 HydrophobicContact CG1-CD1 4.23Å; V258-I412 HydrophobicContact CG2-CB 4.42Å; V258-I412 HydrophobicContact CG2-CD1 4.17Å; V258-I412 HydrophobicContact CG2-CG1 3.87Å; V258-I412 HydrophobicContact CG2-CG2 3.97Å |
| 259 | D | 98.5 | Very high | 98.6 | Very high | 63 Ų | 63 | 33.7 Ų | 33.7 | 34% | 0.337 | 17% | 0.174 | S | C | . | . | trans | -73.4 | 117.4 | 156.2 | -176 | -68.3 | 0 | 0 | 0 | 109.3 | K261 E262 A263 | D259-K261 PolarHBondContact O-N 2.79Å; D259-K261 WeakPolarHBondContact OD1-CA 3.43Å; D259-K261 WeakPolarHBondContact OD1-CB 3.31Å; D259-K261 PolarHBondContact OD1-N 3.43Å; D259-E262 HydrophobicContact CB-CB 3.99Å; D259-E262 HydrophobicContact CB-CG 3.91Å; D259-E262 PolarHBondContact O-N 3.38Å; D259-E262 PolarHBondContact OD1-N 3.1Å; D259-A263 WeakPolarHBondContact O-CB 3.36Å; D259-A263 PolarHBondContact O-N 2.92Å | ||
| 260 | I | 98.7 | Very high | 98.6 | Very high | 50 Ų | 50 | 35.1 Ų | 35.1 | 26% | 0.256 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59.4 | -35.6 | -174 | -66.2 | -179 | 0 | 0 | 0 | 111.7 | V258 A264 I291 A294 F295 E298 | V258-I260 PolarHBondContact O-N 2.69Å; I260-A264 WeakPolarHBondContact O-CB 3.04Å; I260-A264 PolarHBondContact O-N 2.79Å; I260-I291 HydrophobicContact CD1-CB 4.38Å; I260-A294 HydrophobicContact CD1-CB 3.65Å; I260-F295 HydrophobicContact CG2-CB 4.26Å; I260-F295 HydrophobicContact CG2-CD2 4.45Å; I260-E298 HydrophobicContact CG2-CB 4.29Å |
| 261 | K | 98.6 | Very high | 98.6 | Very high | 123 Ų | 123 | 35 Ų | 35 | 54% | 0.535 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -74 | -41.3 | -179.2 | -178.4 | 166.9 | -169.8 | 173.6 | 0 | 112.2 | D259 A263 K265 E298 | D259-K261 PolarHBondContact O-N 2.79Å; D259-K261 WeakPolarHBondContact OD1-CA 3.43Å; D259-K261 WeakPolarHBondContact OD1-CB 3.31Å; D259-K261 PolarHBondContact OD1-N 3.43Å; K261-A263 VanDerWaalsContact C-N 3.33Å; K261-K265 WeakPolarHBondContact O-CB 3.42Å; K261-K265 PolarHBondContact O-N 3.19Å; K261-E298 HydrophobicContact CB-CG 4.16Å; K261-E298 HydrophobicContact CG-CG 4.23Å; K261-E298 WeakPolarHBondContact CG-OE1 3.4Å |
| 262 | E | 98.5 | Very high | 98.6 | Very high | 125 Ų | 125 | 35.5 Ų | 35.5 | 58% | 0.584 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -63 | -42 | 172.5 | -64 | -177 | 159.3 | 0 | 0 | 111.2 | D259 K265 A266 | D259-E262 HydrophobicContact CB-CB 3.99Å; D259-E262 HydrophobicContact CB-CG 3.91Å; D259-E262 PolarHBondContact O-N 3.38Å; D259-E262 PolarHBondContact OD1-N 3.1Å; E262-K265 PolarHBondContact O-N 3.34Å; E262-A266 VanDerWaalsContact O-CB 3.31Å; E262-A266 WeakPolarHBondContact O-CB 3.49Å; E262-A266 PolarHBondContact O-N 2.82Å |
| 263 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.9 | -48 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V254 V258 D259 K261 K265 A266 T267 F295 I412 | V254-A263 HydrophobicContact CG1-CB 3.91Å; V258-A263 HydrophobicContact CB-CB 4.46Å; V258-A263 HydrophobicContact CG1-CB 3.86Å; V258-A263 HydrophobicContact CG2-CB 3.78Å; D259-A263 WeakPolarHBondContact O-CB 3.36Å; D259-A263 PolarHBondContact O-N 2.92Å; K261-A263 VanDerWaalsContact C-N 3.33Å; A263-K265 VanDerWaalsContact C-N 3.33Å; A263-K265 PolarHBondContact O-N 3.27Å; A263-A266 PolarHBondContact O-N 2.84Å; A263-T267 WeakPolarHBondContact O-CB 3.4Å; A263-T267 WeakPolarHBondContact O-CG2 3.31Å; A263-T267 PolarHBondContact O-N 3.01Å; A263-T267 PolarHBondContact O-OG1 2.88Å; A263-F295 HydrophobicContact CB-CD2 4.21Å; A263-F295 HydrophobicContact CB-CE2 3.84Å; A263-I412 HydrophobicContact CB-CG2 4.26Å |
| 264 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.3 | -45.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | I260 T267 T268 F295 E298 L299 Q302 | I260-A264 WeakPolarHBondContact O-CB 3.04Å; I260-A264 PolarHBondContact O-N 2.79Å; A264-T267 PolarHBondContact O-OG1 3.4Å; A264-T267 VanDerWaalsContact O-OG1 3.06Å; A264-T268 WeakPolarHBondContact O-CB 3.37Å; A264-T268 PolarHBondContact O-N 3.34Å; A264-T268 PolarHBondContact O-OG1 3.28Å; A264-F295 HydrophobicContact CB-CD2 4.48Å; A264-F295 HydrophobicContact CB-CE2 4.2Å; A264-E298 HydrophobicContact CB-CB 4Å; A264-E298 HydrophobicContact CB-CG 3.6Å; A264-L299 HydrophobicContact CB-CB 4.43Å; A264-Q302 HydrophobicContact CB-CG 3.94Å |
| 265 | K | 98.7 | Very high | 98.4 | Very high | 140 Ų | 140 | 38.9 Ų | 38.9 | 61% | 0.609 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -62.7 | -46.1 | 177.7 | -177.3 | -178.1 | 177.6 | -174.7 | 0 | 112.3 | K261 E262 A263 G269 | K261-K265 WeakPolarHBondContact O-CB 3.42Å; K261-K265 PolarHBondContact O-N 3.19Å; E262-K265 PolarHBondContact O-N 3.34Å; A263-K265 VanDerWaalsContact C-N 3.33Å; A263-K265 PolarHBondContact O-N 3.27Å; K265-G269 PolarHBondContact O-N 2.94Å |
| 266 | A | 98.7 | Very high | 98.4 | Very high | 16 Ų | 16 | 38.9 Ų | 38.9 | 13% | 0.132 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.3 | -48.1 | -179 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y252 E262 A263 G269 K270 I412 E435 | Y252-A266 WeakPolarHBondContact OH-CB 3.46Å; E262-A266 VanDerWaalsContact O-CB 3.31Å; E262-A266 WeakPolarHBondContact O-CB 3.49Å; E262-A266 PolarHBondContact O-N 2.82Å; A263-A266 PolarHBondContact O-N 2.84Å; A266-G269 PolarHBondContact O-N 3.17Å; A266-K270 PolarHBondContact O-N 3.21Å; A266-I412 HydrophobicContact CB-CD1 3.98Å; A266-E435 HydrophobicContact CB-CG 3.81Å |
| 267 | T | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.3 | -41.4 | 178.9 | 52.3 | 0 | 0 | 0 | 0 | 112.4 | Y252 V254 A263 A264 G269 K270 V271 V285 F295 M385 | Y252-T267 HydrophobicContact CD1-CG2 3.48Å; Y252-T267 VanDerWaalsContact CD1-CG2 3.48Å; Y252-T267 HydrophobicContact CD2-CG2 4.38Å; Y252-T267 HydrophobicContact CE1-CG2 3.65Å; Y252-T267 HydrophobicContact CG-CG2 3.89Å; V254-T267 HydrophobicContact CG2-CG2 4.07Å; A263-T267 WeakPolarHBondContact O-CB 3.4Å; A263-T267 WeakPolarHBondContact O-CG2 3.31Å; A263-T267 PolarHBondContact O-N 3.01Å; A263-T267 PolarHBondContact O-OG1 2.88Å; A264-T267 PolarHBondContact O-OG1 3.4Å; A264-T267 VanDerWaalsContact O-OG1 3.06Å; T267-G269 VanDerWaalsContact C-N 3.34Å; T267-G269 PolarHBondContact O-N 2.91Å; T267-K270 PolarHBondContact O-N 2.94Å; T267-V271 PolarHBondContact O-N 3.38Å; T267-V285 HydrophobicContact CG2-CG1 3.9Å; T267-V285 HydrophobicContact CG2-CG2 3.92Å; T267-F295 HydrophobicContact CG2-CZ 4.24Å; T267-M385 VanDerWaalsContact O-CE 3.29Å; T267-M385 WeakPolarHBondContact O-CE 3.43Å |
| 268 | T | 98.8 | Very high | 98.5 | Very high | 8 Ų | 8 | 33.7 Ų | 33.7 | 5% | 0.049 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.3 | -50.8 | 170.3 | -65 | 0 | 0 | 0 | 0 | 110.5 | A264 K270 V271 V272 Q302 F303 V306 | A264-T268 WeakPolarHBondContact O-CB 3.37Å; A264-T268 PolarHBondContact O-N 3.34Å; A264-T268 PolarHBondContact O-OG1 3.28Å; T268-K270 VanDerWaalsContact C-N 3.35Å; T268-K270 PolarHBondContact O-N 3.43Å; T268-V271 PolarHBondContact O-N 2.93Å; T268-V272 HydrophobicContact CG2-CG1 4.38Å; T268-V272 HydrophobicContact CG2-CG2 4.16Å; T268-V272 VanDerWaalsContact O-CG2 3.29Å; T268-V272 WeakPolarHBondContact O-CG2 3.47Å; T268-V272 PolarHBondContact O-N 3.45Å; T268-Q302 HydrophobicContact CG2-CB 4.26Å; T268-Q302 WeakPolarHBondContact OG1-CB 3.49Å; T268-F303 HydrophobicContact CG2-CD2 3.8Å; T268-F303 HydrophobicContact CG2-CE2 3.84Å; T268-F303 HydrophobicContact CG2-CG 4.47Å; T268-F303 WeakPolarHBondContact OG1-CD2 3.47Å; T268-F303 VanDerWaalsContact OG1-CE2 3.22Å; T268-F303 WeakPolarHBondContact OG1-CE2 3.47Å; T268-V306 HydrophobicContact CG2-CG2 3.94Å |
| 269 | G | 98.3 | Very high | 98.5 | Very high | 32 Ų | 32 | 33.8 Ų | 33.8 | 33% | 0.33 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -55.6 | -44.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | K265 A266 T267 V271 N273 | K265-G269 PolarHBondContact O-N 2.94Å; A266-G269 PolarHBondContact O-N 3.17Å; T267-G269 VanDerWaalsContact C-N 3.34Å; T267-G269 PolarHBondContact O-N 2.91Å; G269-V271 PolarHBondContact O-N 3.25Å; G269-N273 WeakPolarHBondContact O-CB 3.11Å; G269-N273 PolarHBondContact O-N 3.4Å; G269-N273 VanDerWaalsContact O-N 3.1Å |
| 270 | K | 98.2 | Very high | 98.5 | Very high | 33 Ų | 33 | 31 Ų | 31 | 14% | 0.143 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65 | -21.8 | 177.9 | -73.9 | -46.7 | -156.3 | -151.1 | 0 | 114.6 | Y252 A266 T267 T268 Y410 E432 E435 | Y252-K270 HydrophobicContact CD2-CB 4.24Å; Y252-K270 HydrophobicContact CD2-CG 3.71Å; Y252-K270 HydrophobicContact CE2-CB 4.36Å; Y252-K270 HydrophobicContact CE2-CD 4.43Å; Y252-K270 HydrophobicContact CE2-CG 3.43Å; Y252-K270 VanDerWaalsContact CE2-CG 3.43Å; A266-K270 PolarHBondContact O-N 3.21Å; T267-K270 PolarHBondContact O-N 2.94Å; T268-K270 VanDerWaalsContact C-N 3.35Å; T268-K270 PolarHBondContact O-N 3.43Å; K270-Y410 HydrophobicContact CD-CE1 4.44Å; K270-E432 IonicContact NZ-OE1 2.64Å; K270-E432 IonicContact NZ-OE2 3.51Å; K270-E432 PolarHBondContact NZ-OE2 3.41Å; K270-E435 WeakPolarHBondContact CE-OE1 3.42Å; K270-E435 WeakPolarHBondContact CE-OE2 3.43Å; K270-E435 IonicContact NZ-OE1 2.94Å; K270-E435 IonicContact NZ-OE2 3.25Å; K270-E435 PolarHBondContact NZ-OE2 2.89Å |
| 271 | V | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -96.2 | -38.2 | 180 | 173.7 | 0 | 0 | 0 | 0 | 112.4 | T267 T268 G269 G276 T283 F303 M385 | T267-V271 PolarHBondContact O-N 3.38Å; T268-V271 PolarHBondContact O-N 2.93Å; G269-V271 PolarHBondContact O-N 3.25Å; V271-G276 WeakPolarHBondContact O-CA 3.22Å; V271-G276 PolarHBondContact O-N 2.81Å; V271-T283 HydrophobicContact CG2-CG2 4.21Å; V271-F303 HydrophobicContact CG1-CZ 4.35Å; V271-M385 HydrophobicContact CB-CE 4.04Å; V271-M385 HydrophobicContact CG1-CB 4.14Å; V271-M385 HydrophobicContact CG2-CB 4.11Å; V271-M385 HydrophobicContact CG2-CE 3.47Å; V271-M385 VanDerWaalsContact CG2-CE 3.47Å; V271-M385 HydrophobicContact CG2-CG 4.22Å |
| 272 | V | 98.5 | Very high | 98.5 | Very high | 15 Ų | 15 | 23.1 Ų | 23.1 | 9% | 0.091 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -92 | -18.7 | -174.2 | -58.5 | 0 | 0 | 0 | 0 | 113.9 | T268 N274 T275 G276 F303 V306 V318 P363 P383 | T268-V272 HydrophobicContact CG2-CG1 4.38Å; T268-V272 HydrophobicContact CG2-CG2 4.16Å; T268-V272 VanDerWaalsContact O-CG2 3.29Å; T268-V272 WeakPolarHBondContact O-CG2 3.47Å; T268-V272 PolarHBondContact O-N 3.45Å; V272-N274 PolarHBondContact O-N 2.98Å; V272-T275 WeakPolarHBondContact O-CA 3.47Å; V272-T275 PolarHBondContact O-N 2.93Å; V272-G276 PolarHBondContact O-N 3.11Å; V272-F303 HydrophobicContact CG1-CE1 4.22Å; V272-F303 HydrophobicContact CG1-CZ 4.39Å; V272-V306 HydrophobicContact CB-CG1 4.47Å; V272-V306 HydrophobicContact CG1-CG1 4.4Å; V272-V306 HydrophobicContact CG1-CG2 4.33Å; V272-V306 HydrophobicContact CG2-CG2 4.31Å; V272-V318 HydrophobicContact CB-CG2 3.88Å; V272-V318 HydrophobicContact CG2-CG2 4.42Å; V272-P363 HydrophobicContact CG1-CB 4.21Å; V272-P383 HydrophobicContact CG1-CB 4.47Å |
| 273 | N | 97.2 | Very high | 98.5 | Very high | 65 Ų | 65 | 17.8 Ų | 17.8 | 35% | 0.348 | 10% | 0.101 | S | C | . | . | G | 310 helix | trans | -56.4 | 136.3 | -179.9 | -175.9 | 46.4 | 0 | 0 | 0 | 111.3 | L98 G269 T275 G276 V278 | L98-N273 WeakPolarHBondContact CD1-OD1 3.39Å; G269-N273 WeakPolarHBondContact O-CB 3.11Å; G269-N273 PolarHBondContact O-N 3.4Å; G269-N273 VanDerWaalsContact O-N 3.1Å; N273-T275 PolarHBondContact O-N 2.79Å; N273-G276 PolarHBondContact O-N 3.16Å; N273-V278 WeakPolarHBondContact O-CG2 3.35Å |
| 274 | N | 98.2 | Very high | 98.5 | Very high | 3 Ų | 3 | 17.8 Ų | 17.8 | 2% | 0.016 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | 50.2 | 37.4 | -174 | -156.2 | 50.5 | 0 | 0 | 0 | 113.1 | L98 H103 N147 F148 V272 G276 Q277 V278 | L98-N274 HydrophobicContact CD2-CB 4.27Å; H103-N274 PolarHBondContact CE1-OD1 3.39Å; H103-N274 PolarHBondContact NE2-OD1 3.21Å; N147-N274 PolarHBondContact O-ND2 3.38Å; F148-N274 HydrophobicContact CZ-CB 4.1Å; V272-N274 PolarHBondContact O-N 2.98Å; N274-G276 PolarHBondContact O-N 3.1Å; N274-Q277 PolarHBondContact ND2-O 3.11Å; N274-Q277 WeakPolarHBondContact O-CB 3.03Å; N274-Q277 PolarHBondContact O-N 3.12Å; N274-V278 HydrophobicContact CB-CG2 3.75Å |
| 275 | T | 98.6 | Very high | 98.5 | Very high | 3 Ų | 3 | 17.8 Ų | 17.8 | 2% | 0.018 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | 59.4 | 28.9 | -176.7 | -42.4 | 0 | 0 | 0 | 0 | 112.6 | V272 N273 Q277 V318 G319 P320 I321 G382 P383 | V272-T275 WeakPolarHBondContact O-CA 3.47Å; V272-T275 PolarHBondContact O-N 2.93Å; N273-T275 PolarHBondContact O-N 2.79Å; T275-Q277 PolarHBondContact O-N 3.45Å; T275-Q277 VanDerWaalsContact O-N 3.16Å; T275-V318 HydrophobicContact CG2-CG1 3.71Å; T275-G319 VanDerWaalsContact CG2-O 3.25Å; T275-G319 WeakPolarHBondContact CG2-O 3.46Å; T275-G319 PolarHBondContact OG1-N 2.92Å; T275-G319 PolarHBondContact OG1-O 2.82Å; T275-P320 PolarHBondContact OG1-O 2.94Å; T275-I321 HydrophobicContact CG2-CD1 3.62Å; T275-I321 HydrophobicContact CG2-CG1 4.2Å; T275-G382 CarbonylContact O-C 3.54Å; T275-G382 WeakPolarHBondContact O-CA 3.22Å; T275-P383 HydrophobicContact CG2-CG 4.45Å; T275-P383 VanDerWaalsContact O-CD 3.26Å; T275-P383 WeakPolarHBondContact O-CD 3.43Å |
| 276 | G | 98.6 | Very high | 98.5 | Very high | 2 Ų | 2 | 11.1 Ų | 11.1 | 2% | 0.021 | 7% | 0.072 | C | C | . | . | G | 310 helix | trans | 67.8 | 8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | V271 V272 N273 N274 V278 G382 | V271-G276 WeakPolarHBondContact O-CA 3.22Å; V271-G276 PolarHBondContact O-N 2.81Å; V272-G276 PolarHBondContact O-N 3.11Å; N273-G276 PolarHBondContact O-N 3.16Å; N274-G276 PolarHBondContact O-N 3.1Å; G276-V278 PolarHBondContact O-N 2.76Å; G276-G382 PolarHBondContact O-N 3.35Å |
| 277 | Q | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 10.3 Ų | 10.3 | 1% | 0.005 | 7% | 0.066 | C | C | . | . | trans | -85.2 | 58.9 | 177.8 | -58.7 | 173.6 | 116.3 | 0 | 0 | 109.5 | W146 N147 N274 T275 I321 F381 | W146-Q277 HydrophobicContact CH2-CB 3.82Å; W146-Q277 HydrophobicContact CH2-CG 3.8Å; W146-Q277 HydrophobicContact CZ3-CB 3.76Å; W146-Q277 VanDerWaalsContact CZ3-CD 3.42Å; W146-Q277 HydrophobicContact CZ3-CG 3.97Å; N147-Q277 HydrophobicContact CB-CB 4.35Å; N147-Q277 WeakPolarHBondContact CB-O 3.4Å; N147-Q277 PolarHBondContact ND2-O 2.73Å; N274-Q277 PolarHBondContact ND2-O 3.11Å; N274-Q277 WeakPolarHBondContact O-CB 3.03Å; N274-Q277 PolarHBondContact O-N 3.12Å; T275-Q277 PolarHBondContact O-N 3.45Å; T275-Q277 VanDerWaalsContact O-N 3.16Å; Q277-I321 HydrophobicContact CG-CD1 4.11Å; Q277-F381 HydrophobicContact CB-CD1 3.94Å; Q277-F381 HydrophobicContact CB-CE1 3.85Å; Q277-F381 HydrophobicContact CG-CD1 4.24Å | ||
| 278 | V | 98.6 | Very high | 98.5 | Very high | 13 Ų | 13 | 10.6 Ų | 10.6 | 8% | 0.079 | 7% | 0.067 | C | C | . | . | trans | -132.8 | 121.3 | -175.9 | -173.3 | 0 | 0 | 0 | 0 | 108.6 | F148 N273 N274 G276 T280 A281 | F148-V278 HydrophobicContact CE2-CB 4.28Å; F148-V278 HydrophobicContact CE2-CG1 4.08Å; F148-V278 HydrophobicContact CE2-CG2 3.91Å; F148-V278 HydrophobicContact CZ-CB 4.49Å; F148-V278 HydrophobicContact CZ-CG1 4.2Å; F148-V278 HydrophobicContact CZ-CG2 3.77Å; N273-V278 WeakPolarHBondContact O-CG2 3.35Å; N274-V278 HydrophobicContact CB-CG2 3.75Å; G276-V278 PolarHBondContact O-N 2.76Å; V278-T280 WeakPolarHBondContact CG1-OG1 3.46Å; V278-T280 PolarHBondContact O-N 3.49Å; V278-A281 HydrophobicContact CB-CB 4.15Å; V278-A281 WeakPolarHBondContact O-CB 3.31Å; V278-A281 PolarHBondContact O-N 2.7Å | ||
| 279 | C | 98.1 | Very high | 98.5 | Very high | 18 Ų | 18 | 14.2 Ų | 14.2 | 12% | 0.122 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -30.7 | -179.6 | 51.5 | 0 | 0 | 0 | 0 | 112.6 | G248 F381 L407 | G248-C279 WeakPolarHBondContact CA-O 3.27Å; C279-F381 HydrophobicContact CB-CE2 4.34Å; C279-L407 HydrophobicContact CB-CD2 3.57Å |
| 280 | T | 98.3 | Very high | 98.5 | Very high | 4 Ų | 4 | 19.6 Ų | 19.6 | 3% | 0.025 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 10 | 176.1 | 66.9 | 0 | 0 | 0 | 0 | 113.7 | V278 G282 L407 A408 Y410 F444 | V278-T280 WeakPolarHBondContact CG1-OG1 3.46Å; V278-T280 PolarHBondContact O-N 3.49Å; T280-G282 PolarHBondContact O-N 2.96Å; T280-L407 HydrophobicContact CG2-CD2 3.64Å; T280-L407 HydrophobicContact CG2-CG 3.92Å; T280-A408 HydrophobicContact CG2-CB 3.79Å; T280-Y410 WeakPolarHBondContact CB-OH 3.29Å; T280-Y410 VanDerWaalsContact O-CE2 3.23Å; T280-Y410 WeakPolarHBondContact O-CE2 3.29Å; T280-Y410 VanDerWaalsContact O-CZ 3.3Å; T280-Y410 PolarHBondContact O-OH 3.47Å; T280-Y410 PolarHBondContact OG1-OH 2.73Å; T280-F444 HydrophobicContact CG2-CE2 3.71Å; T280-F444 HydrophobicContact CG2-CZ 3.74Å |
| 281 | A | 98.5 | Very high | 98.5 | Very high | 7 Ų | 7 | 19.2 Ų | 19.2 | 6% | 0.058 | 10% | 0.1 | C | C | . | . | trans | -57.7 | 129.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S250 V278 T283 | S250-A281 WeakPolarHBondContact CB-O 3.29Å; V278-A281 HydrophobicContact CB-CB 4.15Å; V278-A281 WeakPolarHBondContact O-CB 3.31Å; V278-A281 PolarHBondContact O-N 2.7Å; A281-T283 HydrophobicContact CB-CG2 3.71Å; A281-T283 PolarHBondContact O-N 3.43Å | ||
| 282 | G | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -75.1 | 56.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S250 T280 | S250-G282 CarbonylContact O-C 3.57Å; T280-G282 PolarHBondContact O-N 2.96Å | ||
| 283 | T | 98.7 | Very high | 98.4 | Very high | 13 Ų | 13 | 26.1 Ų | 26.1 | 8% | 0.08 | 14% | 0.135 | C | C | . | . | trans | -79.3 | -14.4 | -169.3 | 52.4 | 0 | 0 | 0 | 0 | 114.1 | K249 S250 V271 A281 V384 S386 | K249-T283 WeakPolarHBondContact CD-OG1 3.4Å; S250-T283 PolarHBondContact O-N 3.32Å; V271-T283 HydrophobicContact CG2-CG2 4.21Å; A281-T283 HydrophobicContact CB-CG2 3.71Å; A281-T283 PolarHBondContact O-N 3.43Å; T283-V384 WeakPolarHBondContact CG2-O 3.21Å; T283-S386 PolarHBondContact O-N 3.38Å | ||
| 284 | R | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 96.7 | 168 | -76.9 | -165.5 | -70.5 | 159.6 | 13.6 | 109.4 | K249 S250 P251 Y252 L286 N371 A376 I388 I399 A400 D402 | K249-R284 HydrophobicContact CD-CG 4.48Å; K249-R284 HydrophobicContact CG-CG 4.21Å; K249-R284 PolarHBondContact O-NE 3.2Å; K249-R284 PolarHBondContact O-NH2 3.33Å; K249-R284 VanDerWaalsContact O-NH2 3.07Å; S250-R284 PolarHBondContact O-N 3.41Å; P251-R284 CarbonylContact C-O 3.54Å; P251-R284 WeakPolarHBondContact CA-O 3.18Å; Y252-R284 PolarHBondContact N-O 2.93Å; R284-L286 HydrophobicContact CB-CD1 4.1Å; R284-L286 VanDerWaalsContact O-CD1 3.3Å; R284-L286 WeakPolarHBondContact O-CD1 3.45Å; R284-N371 PolarHBondContact NH1-OD1 2.9Å; R284-A376 WeakPolarHBondContact CD-O 3.32Å; R284-I388 HydrophobicContact CG-CD1 4.34Å; R284-I399 PolarHBondContact NH1-O 2.86Å; R284-I399 VanDerWaalsContact NH1-O 3.14Å; R284-A400 PolarHBondContact NH2-O 2.89Å; R284-D402 PolarHBondContact NH1-O 2.94Å |
| 285 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 117.5 | 177.1 | 178.1 | 0 | 0 | 0 | 0 | 109.1 | V254 T267 F295 M385 S386 V387 I388 | V254-V285 HydrophobicContact CG2-CG1 4.01Å; T267-V285 HydrophobicContact CG2-CG1 3.9Å; T267-V285 HydrophobicContact CG2-CG2 3.92Å; V285-F295 HydrophobicContact CG1-CE1 3.95Å; V285-F295 HydrophobicContact CG1-CZ 3.89Å; V285-M385 HydrophobicContact CB-CG 4.41Å; V285-M385 HydrophobicContact CB-SD 4.31Å; V285-M385 HydrophobicContact CG2-CE 3.76Å; V285-M385 HydrophobicContact CG2-CG 3.81Å; V285-M385 HydrophobicContact CG2-SD 3.67Å; V285-S386 PolarHBondContact N-O 2.63Å; V285-V387 WeakPolarHBondContact O-CA 3.3Å; V285-I388 PolarHBondContact O-N 3.1Å |
| 286 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 115.9 | 178 | -77.7 | 70.1 | 0 | 0 | 0 | 108.4 | P251 Y252 I253 V254 R284 I388 Y390 A396 I399 A400 | P251-L286 HydrophobicContact CB-CD1 4.13Å; Y252-L286 PolarHBondContact O-N 3.19Å; I253-L286 HydrophobicContact CG1-CB 4.27Å; I253-L286 HydrophobicContact CG1-CD2 4.18Å; V254-L286 WeakPolarHBondContact CB-O 3.3Å; V254-L286 PolarHBondContact N-O 3.19Å; R284-L286 HydrophobicContact CB-CD1 4.1Å; R284-L286 VanDerWaalsContact O-CD1 3.3Å; R284-L286 WeakPolarHBondContact O-CD1 3.45Å; L286-I388 CarbonylContact C-O 3.57Å; L286-I388 VanDerWaalsContact CA-O 3.28Å; L286-I388 WeakPolarHBondContact CA-O 3.26Å; L286-Y390 HydrophobicContact CB-CD1 4.05Å; L286-Y390 HydrophobicContact CB-CE1 4.28Å; L286-A396 WeakPolarHBondContact CD2-O 3.43Å; L286-I399 HydrophobicContact CD2-CB 3.82Å; L286-I399 HydrophobicContact CD2-CG2 3.72Å; L286-I399 HydrophobicContact CG-CG2 4.17Å; L286-A400 HydrophobicContact CD2-CB 4.09Å |
| 287 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 138.5 | -174.8 | 66.1 | 0 | 0 | 0 | 0 | 111.4 | N289 I291 F295 V387 I388 T389 Y390 | V287-N289 PolarHBondContact O-N 2.93Å; V287-I291 HydrophobicContact CG2-CD1 4.3Å; V287-I291 HydrophobicContact CG2-CG1 3.91Å; V287-F295 HydrophobicContact CB-CD1 4.29Å; V287-F295 HydrophobicContact CG2-CB 4.02Å; V287-F295 HydrophobicContact CG2-CD1 3.81Å; V287-F295 HydrophobicContact CG2-CE1 4.44Å; V287-F295 HydrophobicContact CG2-CG 3.88Å; V287-V387 HydrophobicContact CG1-CG1 3.64Å; V287-I388 PolarHBondContact N-O 2.97Å; V287-T389 HydrophobicContact CG1-CG2 4.04Å; V287-T389 CarbonylContact O-C 3.58Å; V287-T389 WeakPolarHBondContact O-CA 3.39Å; V287-Y390 VanDerWaalsContact C-CE1 3.48Å; V287-Y390 WeakPolarHBondContact O-CD1 3.26Å; V287-Y390 PolarHBondContact O-N 3.27Å |
| 288 | P | 98.7 | Very high | 98.6 | Very high | 5 Ų | 5 | 30.9 Ų | 30.9 | 3% | 0.032 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 134.9 | 175.5 | -12.7 | 21 | 0 | 0 | 0 | 110.4 | V254 D256 K290 I291 K292 Y390 | V254-P288 VanDerWaalsContact O-CD 3.26Å; V254-P288 WeakPolarHBondContact O-CD 2.94Å; D256-P288 HydrophobicContact CB-CG 4.07Å; P288-K290 HydrophobicContact CB-CG 4.02Å; P288-K290 PolarHBondContact O-N 2.79Å; P288-K290 VanDerWaalsContact O-N 3.08Å; P288-I291 HydrophobicContact CB-CG1 4.13Å; P288-I291 HydrophobicContact CG-CD1 3.94Å; P288-I291 HydrophobicContact CG-CG1 3.89Å; P288-I291 PolarHBondContact O-N 3.42Å; P288-K292 PolarHBondContact O-N 3.04Å; P288-Y390 WeakPolarHBondContact CA-O 3.36Å; P288-Y390 HydrophobicContact CB-CE2 4.21Å; P288-Y390 HydrophobicContact CG-CE1 4.11Å; P288-Y390 HydrophobicContact CG-CE2 4.17Å; P288-Y390 WeakPolarHBondContact CG-OH 3.35Å |
| 289 | N | 98.4 | Very high | 98.6 | Very high | 85 Ų | 85 | 30.2 Ų | 30.2 | 46% | 0.455 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -54.1 | -36.1 | 179.4 | -172.2 | 52.1 | 0 | 0 | 0 | 112.2 | V287 I291 K292 Y390 | V287-N289 PolarHBondContact O-N 2.93Å; N289-I291 VanDerWaalsContact C-N 3.31Å; N289-I291 PolarHBondContact O-N 2.91Å; N289-K292 VanDerWaalsContact O-CB 3.32Å; N289-K292 WeakPolarHBondContact O-CB 3.16Å; N289-K292 PolarHBondContact O-N 3.22Å; N289-Y390 PolarHBondContact N-O 3.49Å |
| 290 | K | 97.8 | Very high | 98.6 | Very high | 145 Ų | 145 | 34 Ų | 34 | 63% | 0.63 | 19% | 0.185 | S | C | * | . | G | 310 helix | trans | -66 | -22.6 | -179.2 | 67.7 | 179 | -176.4 | 179 | 0 | 115.7 | D256 P288 | D256-K290 VanDerWaalsContact CB-NZ 3.26Å; D256-K290 WeakPolarHBondContact OD2-CE 3.5Å; D256-K290 IonicContact OD2-NZ 2.61Å; D256-K290 PolarHBondContact OD2-NZ 2.87Å; P288-K290 HydrophobicContact CB-CG 4.02Å; P288-K290 PolarHBondContact O-N 2.79Å; P288-K290 VanDerWaalsContact O-N 3.08Å |
| 291 | I | 98.3 | Very high | 98.6 | Very high | 25 Ų | 25 | 38 Ų | 38 | 13% | 0.128 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -112.1 | 2.2 | 176.6 | 68.7 | 171.4 | 0 | 0 | 0 | 112.8 | V254 V258 I260 V287 P288 N289 D293 A294 F295 | V254-I291 HydrophobicContact CG1-CD1 4.25Å; V258-I291 HydrophobicContact CG1-CD1 4.23Å; I260-I291 HydrophobicContact CD1-CB 4.38Å; V287-I291 HydrophobicContact CG2-CD1 4.3Å; V287-I291 HydrophobicContact CG2-CG1 3.91Å; P288-I291 HydrophobicContact CB-CG1 4.13Å; P288-I291 HydrophobicContact CG-CD1 3.94Å; P288-I291 HydrophobicContact CG-CG1 3.89Å; P288-I291 PolarHBondContact O-N 3.42Å; N289-I291 VanDerWaalsContact C-N 3.31Å; N289-I291 PolarHBondContact O-N 2.91Å; I291-D293 PolarHBondContact O-N 3.32Å; I291-A294 PolarHBondContact O-N 2.9Å; I291-F295 WeakPolarHBondContact O-CB 3.41Å; I291-F295 PolarHBondContact O-N 3.2Å |
| 292 | K | 98.4 | Very high | 98.6 | Very high | 33 Ų | 33 | 39 Ų | 39 | 14% | 0.143 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -47.8 | -56.8 | -174 | -180 | -160.5 | -178.6 | 176.9 | 0 | 112.2 | P288 N289 A294 F295 L296 N368 T389 | P288-K292 PolarHBondContact O-N 3.04Å; N289-K292 VanDerWaalsContact O-CB 3.32Å; N289-K292 WeakPolarHBondContact O-CB 3.16Å; N289-K292 PolarHBondContact O-N 3.22Å; K292-A294 PolarHBondContact O-N 3.5Å; K292-F295 PolarHBondContact O-N 3.28Å; K292-L296 HydrophobicContact CD-CD1 4.38Å; K292-L296 HydrophobicContact CG-CD1 3.87Å; K292-L296 HydrophobicContact CG-CG 4.24Å; K292-L296 WeakPolarHBondContact O-CB 3.48Å; K292-L296 VanDerWaalsContact O-CG 3.3Å; K292-L296 WeakPolarHBondContact O-CG 3.33Å; K292-L296 PolarHBondContact O-N 3.03Å; K292-N368 PolarHBondContact NZ-OD1 3.43Å; K292-T389 HydrophobicContact CB-CG2 4.41Å; K292-T389 HydrophobicContact CD-CG2 3.84Å; K292-T389 HydrophobicContact CG-CG2 3.96Å |
| 293 | D | 98.5 | Very high | 98.6 | Very high | 127 Ų | 127 | 39 Ų | 39 | 68% | 0.679 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -65.7 | -41.4 | -171.5 | -64.4 | -19 | 0 | 0 | 0 | 112.2 | I291 L296 A297 | I291-D293 PolarHBondContact O-N 3.32Å; D293-L296 PolarHBondContact O-N 2.99Å; D293-A297 WeakPolarHBondContact O-CB 3.43Å; D293-A297 PolarHBondContact O-N 3.44Å |
| 294 | A | 98.7 | Very high | 98.6 | Very high | 53 Ų | 53 | 41.1 Ų | 41.1 | 44% | 0.438 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65 | -41.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I260 I291 K292 E298 | I260-A294 HydrophobicContact CD1-CB 3.65Å; I291-A294 PolarHBondContact O-N 2.9Å; K292-A294 PolarHBondContact O-N 3.5Å; A294-E298 PolarHBondContact O-N 3.28Å |
| 295 | F | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.7 | -45.8 | 174.9 | 178.5 | -99.2 | 0 | 0 | 0 | 112.3 | V254 I260 A263 A264 T267 V285 V287 I291 K292 A297 E298 L299 | V254-F295 HydrophobicContact CG2-CE2 4.24Å; V254-F295 HydrophobicContact CG2-CZ 4.29Å; I260-F295 HydrophobicContact CG2-CB 4.26Å; I260-F295 HydrophobicContact CG2-CD2 4.45Å; A263-F295 HydrophobicContact CB-CD2 4.21Å; A263-F295 HydrophobicContact CB-CE2 3.84Å; A264-F295 HydrophobicContact CB-CD2 4.48Å; A264-F295 HydrophobicContact CB-CE2 4.2Å; T267-F295 HydrophobicContact CG2-CZ 4.24Å; V285-F295 HydrophobicContact CG1-CE1 3.95Å; V285-F295 HydrophobicContact CG1-CZ 3.89Å; V287-F295 HydrophobicContact CB-CD1 4.29Å; V287-F295 HydrophobicContact CG2-CB 4.02Å; V287-F295 HydrophobicContact CG2-CD1 3.81Å; V287-F295 HydrophobicContact CG2-CE1 4.44Å; V287-F295 HydrophobicContact CG2-CG 3.88Å; I291-F295 WeakPolarHBondContact O-CB 3.41Å; I291-F295 PolarHBondContact O-N 3.2Å; K292-F295 PolarHBondContact O-N 3.28Å; F295-A297 VanDerWaalsContact C-N 3.33Å; F295-A297 PolarHBondContact O-N 3.16Å; F295-E298 PolarHBondContact O-N 3.11Å; F295-L299 HydrophobicContact CE1-CB 4.41Å; F295-L299 HydrophobicContact CE1-CD1 4.44Å; F295-L299 HydrophobicContact CE1-CD2 3.88Å; F295-L299 HydrophobicContact CE1-CG 4.48Å; F295-L299 HydrophobicContact CZ-CD1 4.23Å; F295-L299 HydrophobicContact CZ-CD2 4.48Å; F295-L299 WeakPolarHBondContact O-CB 3.15Å; F295-L299 PolarHBondContact O-N 3Å |
| 296 | L | 98.9 | Very high | 98.5 | Very high | 8 Ų | 8 | 47.1 Ų | 47.1 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.7 | -37.1 | 179.6 | -72.1 | -177.1 | 0 | 0 | 0 | 112.7 | K292 D293 L299 K300 F345 I367 V387 | K292-L296 HydrophobicContact CD-CD1 4.38Å; K292-L296 HydrophobicContact CG-CD1 3.87Å; K292-L296 HydrophobicContact CG-CG 4.24Å; K292-L296 WeakPolarHBondContact O-CB 3.48Å; K292-L296 VanDerWaalsContact O-CG 3.3Å; K292-L296 WeakPolarHBondContact O-CG 3.33Å; K292-L296 PolarHBondContact O-N 3.03Å; D293-L296 PolarHBondContact O-N 2.99Å; L296-L299 HydrophobicContact CD2-CD2 4.17Å; L296-L299 PolarHBondContact O-N 3.13Å; L296-K300 WeakPolarHBondContact O-CB 3.2Å; L296-K300 PolarHBondContact O-N 2.81Å; L296-F345 HydrophobicContact CB-CE1 4.15Å; L296-F345 HydrophobicContact CB-CZ 3.89Å; L296-F345 HydrophobicContact CD2-CE1 4.41Å; L296-F345 WeakPolarHBondContact O-CE1 3.48Å; L296-I367 HydrophobicContact CD1-CB 4.46Å; L296-I367 HydrophobicContact CD1-CD1 3.9Å; L296-I367 HydrophobicContact CD1-CG2 4.04Å; L296-I367 HydrophobicContact CD2-CG2 3.55Å; L296-I367 HydrophobicContact CG-CG2 4.46Å; L296-V387 HydrophobicContact CD2-CG1 4.2Å; L296-V387 HydrophobicContact CD2-CG2 4.34Å |
| 297 | A | 98.7 | Very high | 98.5 | Very high | 66 Ų | 66 | 54.9 Ų | 54.9 | 55% | 0.545 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61 | -49.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | D293 F295 K300 E301 | D293-A297 WeakPolarHBondContact O-CB 3.43Å; D293-A297 PolarHBondContact O-N 3.44Å; F295-A297 VanDerWaalsContact C-N 3.33Å; F295-A297 PolarHBondContact O-N 3.16Å; A297-K300 PolarHBondContact O-N 3.38Å; A297-E301 PolarHBondContact O-N 2.97Å |
| 298 | E | 98.7 | Very high | 98.5 | Very high | 46 Ų | 46 | 56.3 Ų | 56.3 | 22% | 0.215 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -70.3 | -37.2 | 178.6 | -173.8 | 61.7 | -146.8 | 0 | 0 | 111.8 | I260 K261 A264 A294 F295 K300 E301 Q302 | I260-E298 HydrophobicContact CG2-CB 4.29Å; K261-E298 HydrophobicContact CB-CG 4.16Å; K261-E298 HydrophobicContact CG-CG 4.23Å; K261-E298 WeakPolarHBondContact CG-OE1 3.4Å; A264-E298 HydrophobicContact CB-CB 4Å; A264-E298 HydrophobicContact CB-CG 3.6Å; A294-E298 PolarHBondContact O-N 3.28Å; F295-E298 PolarHBondContact O-N 3.11Å; E298-K300 VanDerWaalsContact C-N 3.33Å; E298-K300 PolarHBondContact O-N 3.37Å; E298-E301 WeakPolarHBondContact O-CB 3.23Å; E298-E301 PolarHBondContact O-N 3.23Å; E298-E301 VanDerWaalsContact O-N 3.13Å; E298-Q302 WeakPolarHBondContact O-CG 3.27Å; E298-Q302 PolarHBondContact O-N 3.29Å; E298-Q302 PolarHBondContact OE1-NE2 3.28Å |
| 299 | L | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60 | -42.7 | 175.5 | -175.4 | 70.9 | 0 | 0 | 0 | 111.7 | A264 F295 L296 E301 Q302 F303 I365 M385 V387 | A264-L299 HydrophobicContact CB-CB 4.43Å; F295-L299 HydrophobicContact CE1-CB 4.41Å; F295-L299 HydrophobicContact CE1-CD1 4.44Å; F295-L299 HydrophobicContact CE1-CD2 3.88Å; F295-L299 HydrophobicContact CE1-CG 4.48Å; F295-L299 HydrophobicContact CZ-CD1 4.23Å; F295-L299 HydrophobicContact CZ-CD2 4.48Å; F295-L299 WeakPolarHBondContact O-CB 3.15Å; F295-L299 PolarHBondContact O-N 3Å; L296-L299 HydrophobicContact CD2-CD2 4.17Å; L296-L299 PolarHBondContact O-N 3.13Å; L299-E301 VanDerWaalsContact C-N 3.28Å; L299-E301 PolarHBondContact O-N 3.05Å; L299-Q302 PolarHBondContact O-N 3.17Å; L299-F303 HydrophobicContact CD1-CD2 4.04Å; L299-F303 HydrophobicContact CD1-CE2 3.82Å; L299-F303 HydrophobicContact CG-CD2 4.2Å; L299-F303 HydrophobicContact CG-CE2 4.27Å; L299-F303 WeakPolarHBondContact O-CD2 3.4Å; L299-F303 PolarHBondContact O-N 3.06Å; L299-I365 HydrophobicContact CD2-CD1 3.93Å; L299-I365 HydrophobicContact CD2-CG2 4.15Å; L299-I365 HydrophobicContact CG-CD1 3.89Å; L299-M385 HydrophobicContact CD1-CE 4.04Å; L299-M385 HydrophobicContact CD1-SD 3.94Å; L299-M385 HydrophobicContact CD2-SD 3.66Å; L299-M385 HydrophobicContact CG-SD 4.33Å; L299-V387 HydrophobicContact CD2-CG2 4.07Å |
| 300 | K | 98.7 | Very high | 98.4 | Very high | 97 Ų | 97 | 54.9 Ų | 54.9 | 42% | 0.422 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.7 | -40.4 | 175.1 | -168.4 | 170.5 | -177.5 | 166.1 | 0 | 111.6 | L296 A297 E298 F303 S304 F345 Y346 | L296-K300 WeakPolarHBondContact O-CB 3.2Å; L296-K300 PolarHBondContact O-N 2.81Å; A297-K300 PolarHBondContact O-N 3.38Å; E298-K300 VanDerWaalsContact C-N 3.33Å; E298-K300 PolarHBondContact O-N 3.37Å; K300-F303 PolarHBondContact O-N 2.71Å; K300-S304 WeakPolarHBondContact O-CB 3.01Å; K300-S304 PolarHBondContact O-N 2.64Å; K300-F345 HydrophobicContact CB-CE1 3.75Å; K300-F345 HydrophobicContact CB-CZ 4.13Å; K300-F345 HydrophobicContact CD-CE1 4.13Å; K300-F345 HydrophobicContact CD-CZ 3.98Å; K300-F345 HydrophobicContact CG-CE1 4.23Å; K300-Y346 HydrophobicContact CG-CD2 4.09Å |
| 301 | E | 98.7 | Very high | 98.5 | Very high | 89 Ų | 89 | 48.1 Ų | 48.1 | 42% | 0.416 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 176.1 | -179.7 | 57.4 | -162.1 | 0 | 0 | 111.6 | A297 E298 L299 F303 S304 Q305 | A297-E301 PolarHBondContact O-N 2.97Å; E298-E301 WeakPolarHBondContact O-CB 3.23Å; E298-E301 PolarHBondContact O-N 3.23Å; E298-E301 VanDerWaalsContact O-N 3.13Å; L299-E301 VanDerWaalsContact C-N 3.28Å; L299-E301 PolarHBondContact O-N 3.05Å; E301-F303 VanDerWaalsContact C-N 3.34Å; E301-F303 PolarHBondContact O-N 2.75Å; E301-S304 PolarHBondContact O-N 3.45Å; E301-S304 PolarHBondContact O-OG 2.86Å; E301-S304 PolarHBondContact OE2-OG 2.98Å; E301-Q305 WeakPolarHBondContact O-CG 3.26Å; E301-Q305 PolarHBondContact O-N 3.29Å; E301-Q305 PolarHBondContact OE1-NE2 2.91Å |
| 302 | Q | 98.7 | Very high | 98.4 | Very high | 27 Ų | 27 | 51.4 Ų | 51.4 | 13% | 0.126 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.2 | -42 | 175.9 | -64.8 | -60 | -47.3 | 0 | 0 | 111.8 | A264 T268 E298 L299 Q305 | A264-Q302 HydrophobicContact CB-CG 3.94Å; T268-Q302 HydrophobicContact CG2-CB 4.26Å; T268-Q302 WeakPolarHBondContact OG1-CB 3.49Å; E298-Q302 WeakPolarHBondContact O-CG 3.27Å; E298-Q302 PolarHBondContact O-N 3.29Å; E298-Q302 PolarHBondContact OE1-NE2 3.28Å; L299-Q302 PolarHBondContact O-N 3.17Å; Q302-Q305 PolarHBondContact O-N 3.49Å |
| 303 | F | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.9 | -35.1 | 176.6 | -91.6 | -110.2 | 0 | 0 | 0 | 113.2 | T268 V271 V272 L299 K300 E301 Q305 V306 Y346 P363 I365 M385 | T268-F303 HydrophobicContact CG2-CD2 3.8Å; T268-F303 HydrophobicContact CG2-CE2 3.84Å; T268-F303 HydrophobicContact CG2-CG 4.47Å; T268-F303 WeakPolarHBondContact OG1-CD2 3.47Å; T268-F303 VanDerWaalsContact OG1-CE2 3.22Å; T268-F303 WeakPolarHBondContact OG1-CE2 3.47Å; V271-F303 HydrophobicContact CG1-CZ 4.35Å; V272-F303 HydrophobicContact CG1-CE1 4.22Å; V272-F303 HydrophobicContact CG1-CZ 4.39Å; L299-F303 HydrophobicContact CD1-CD2 4.04Å; L299-F303 HydrophobicContact CD1-CE2 3.82Å; L299-F303 HydrophobicContact CG-CD2 4.2Å; L299-F303 HydrophobicContact CG-CE2 4.27Å; L299-F303 WeakPolarHBondContact O-CD2 3.4Å; L299-F303 PolarHBondContact O-N 3.06Å; K300-F303 PolarHBondContact O-N 2.71Å; E301-F303 VanDerWaalsContact C-N 3.34Å; E301-F303 PolarHBondContact O-N 2.75Å; F303-Q305 PolarHBondContact O-N 3.16Å; F303-V306 WeakPolarHBondContact O-CB 3.49Å; F303-V306 PolarHBondContact O-N 2.58Å; F303-V306 VanDerWaalsContact O-N 3.15Å; F303-Y346 HydrophobicContact CB-CD1 3.97Å; F303-Y346 HydrophobicContact CB-CE1 4.01Å; F303-Y346 HydrophobicContact CB-CG 4.41Å; F303-Y346 HydrophobicContact CD1-CD1 4.11Å; F303-Y346 HydrophobicContact CD1-CE1 4.44Å; F303-Y346 HydrophobicContact CG-CD1 4.47Å; F303-P363 HydrophobicContact CD1-CB 3.7Å; F303-P363 HydrophobicContact CE1-CB 3.88Å; F303-I365 HydrophobicContact CB-CD1 4.04Å; F303-I365 HydrophobicContact CD1-CD1 3.93Å; F303-I365 HydrophobicContact CD1-CG1 3.74Å; F303-I365 HydrophobicContact CD2-CD1 3.6Å; F303-I365 HydrophobicContact CD2-CG1 4.06Å; F303-I365 HydrophobicContact CE1-CD1 4.26Å; F303-I365 HydrophobicContact CE1-CG1 3.66Å; F303-I365 HydrophobicContact CE2-CD1 3.94Å; F303-I365 HydrophobicContact CE2-CG1 3.99Å; F303-I365 HydrophobicContact CG-CD1 3.6Å; F303-I365 HydrophobicContact CG-CG1 3.94Å; F303-I365 HydrophobicContact CZ-CD1 4.26Å; F303-I365 HydrophobicContact CZ-CG1 3.8Å; F303-M385 HydrophobicContact CE2-CE 3.69Å; F303-M385 HydrophobicContact CE2-SD 4.2Å; F303-M385 HydrophobicContact CZ-CB 4.18Å; F303-M385 HydrophobicContact CZ-CE 3.81Å; F303-M385 HydrophobicContact CZ-SD 4.31Å |
| 304 | S | 98 | Very high | 98.2 | Very high | 56 Ų | 56 | 57 Ų | 57 | 39% | 0.392 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.1 | -25.6 | 178.7 | 82.6 | 0 | 0 | 0 | 0 | 112.8 | K300 E301 | K300-S304 WeakPolarHBondContact O-CB 3.01Å; K300-S304 PolarHBondContact O-N 2.64Å; E301-S304 PolarHBondContact O-N 3.45Å; E301-S304 PolarHBondContact O-OG 2.86Å; E301-S304 PolarHBondContact OE2-OG 2.98Å |
| 305 | Q | 97.9 | Very high | 98 | Very high | 106 Ų | 106 | 56.7 Ų | 56.7 | 50% | 0.495 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -10.5 | 179.1 | -65.6 | 177.3 | -0.4 | 0 | 0 | 113.5 | E301 Q302 F303 R307 Q317 | E301-Q305 WeakPolarHBondContact O-CG 3.26Å; E301-Q305 PolarHBondContact O-N 3.29Å; E301-Q305 PolarHBondContact OE1-NE2 2.91Å; Q302-Q305 PolarHBondContact O-N 3.49Å; F303-Q305 PolarHBondContact O-N 3.16Å; Q305-R307 PolarHBondContact O-N 3.08Å; Q305-Q317 PolarHBondContact O-OE1 3.49Å |
| 306 | V | 98.3 | Very high | 98 | Very high | 21 Ų | 21 | 57.2 Ų | 57.2 | 13% | 0.127 | 30% | 0.297 | C | S | . | . | trans | -69.7 | 118.1 | -178.4 | 176.3 | 0 | 0 | 0 | 0 | 110.5 | T268 V272 F303 V308 V318 P363 | T268-V306 HydrophobicContact CG2-CG2 3.94Å; V272-V306 HydrophobicContact CB-CG1 4.47Å; V272-V306 HydrophobicContact CG1-CG1 4.4Å; V272-V306 HydrophobicContact CG1-CG2 4.33Å; V272-V306 HydrophobicContact CG2-CG2 4.31Å; F303-V306 WeakPolarHBondContact O-CB 3.49Å; F303-V306 PolarHBondContact O-N 2.58Å; F303-V306 VanDerWaalsContact O-N 3.15Å; V306-V308 PolarHBondContact O-N 3.14Å; V306-V318 HydrophobicContact CG1-CB 4.3Å; V306-V318 HydrophobicContact CG1-CG2 3.44Å; V306-V318 VanDerWaalsContact CG1-CG2 3.44Å; V306-P363 HydrophobicContact CB-CG 4.49Å; V306-P363 HydrophobicContact CG1-CG 3.97Å | ||
| 307 | R | 98 | Very high | 97.9 | Very high | 162 Ų | 162 | 61.9 Ų | 61.9 | 61% | 0.611 | 32% | 0.319 | S | S | * | . | trans | -89.2 | 105 | 177.8 | -64.4 | -175.4 | -177.7 | -175.5 | 1.1 | 111.5 | Q305 G315 Q317 V318 | Q305-R307 PolarHBondContact O-N 3.08Å; R307-G315 WeakPolarHBondContact CD-O 3.42Å; R307-Q317 PolarHBondContact O-N 3.28Å; R307-V318 PolarHBondContact O-N 2.97Å | ||
| 308 | V | 98.7 | Very high | 97.9 | Very high | 30 Ų | 30 | 58.8 Ų | 58.8 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -85.9 | 134.6 | 165.4 | -168.6 | 0 | 0 | 0 | 0 | 108.6 | V306 V318 P352 L355 F360 P363 | V306-V308 PolarHBondContact O-N 3.14Å; V308-V318 WeakPolarHBondContact CA-O 3.37Å; V308-V318 HydrophobicContact CB-CB 4.49Å; V308-V318 HydrophobicContact CG1-CG1 4.27Å; V308-V318 HydrophobicContact CG2-CB 4.09Å; V308-V318 HydrophobicContact CG2-CG1 4.15Å; V308-P352 HydrophobicContact CB-CG 4.12Å; V308-P352 HydrophobicContact CG1-CG 4.02Å; V308-P352 HydrophobicContact CG2-CG 4.41Å; V308-L355 HydrophobicContact CB-CD1 4.33Å; V308-L355 HydrophobicContact CG1-CD1 4Å; V308-F360 HydrophobicContact CG1-CB 4.15Å; V308-F360 HydrophobicContact CG1-CD1 3.91Å; V308-F360 HydrophobicContact CG1-CG 4.45Å; V308-P363 HydrophobicContact CG2-CG 3.77Å |
| 309 | G | 98.2 | Very high | 97.9 | Very high | 4 Ų | 4 | 56.6 Ų | 56.6 | 4% | 0.041 | 28% | 0.283 | C | S | . | . | trans | 179.1 | -172.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | T316 V318 F360 | G309-T316 VanDerWaalsContact O-CG2 3.31Å; G309-T316 WeakPolarHBondContact O-CG2 3.48Å; G309-V318 PolarHBondContact N-O 2.93Å; G309-V318 VanDerWaalsContact N-O 3.13Å; G309-F360 WeakPolarHBondContact O-CE1 3.23Å | ||
| 310 | N | 97.9 | Very high | 97.9 | Very high | 56 Ų | 56 | 56.6 Ų | 56.6 | 30% | 0.299 | 28% | 0.283 | S | S | . | . | trans | -59.3 | 128.5 | 177.6 | -175.4 | -26.8 | 0 | 0 | 0 | 109.5 | R312 E313 T316 | N310-R312 PolarHBondContact O-N 3.01Å; N310-R312 PolarHBondContact OD1-N 3.04Å; N310-E313 HydrophobicContact CB-CB 4.3Å; N310-E313 HydrophobicContact CB-CG 3.83Å; N310-E313 PolarHBondContact O-N 3.2Å; N310-T316 WeakPolarHBondContact O-CB 3.37Å; N310-T316 PolarHBondContact O-OG1 2.55Å | ||
| 311 | P | 98.5 | Very high | 97.9 | Very high | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.019 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -18.4 | -179.8 | -29.3 | 38.6 | 0 | 0 | 0 | 115.3 | A28 T89 G93 P95 L96 | A28-P311 HydrophobicContact CB-CG 4Å; T89-P311 HydrophobicContact CG2-CB 3.9Å; G93-P311 WeakPolarHBondContact O-CB 3.33Å; G93-P311 WeakPolarHBondContact O-CG 3.25Å; P95-P311 VanDerWaalsContact CA-O 3.29Å; P95-P311 WeakPolarHBondContact CA-O 3.33Å; L96-P311 PolarHBondContact N-O 3.28Å |
| 312 | R | 97.3 | Very high | 97.9 | Very high | 94 Ų | 94 | 48.1 Ų | 48.1 | 36% | 0.355 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -5.6 | 178.8 | -62.2 | -169 | 166 | -74.3 | 1 | 114.1 | Q86 T89 D90 N310 | Q86-R312 VanDerWaalsContact OE1-CZ 3.24Å; T89-R312 HydrophobicContact CG2-CG 3.89Å; D90-R312 IonicContact OD1-CZ 3.35Å; D90-R312 IonicContact OD1-NE 2.76Å; D90-R312 PolarHBondContact OD1-NE 2.99Å; D90-R312 IonicContact OD1-NH2 2.67Å; D90-R312 PolarHBondContact OD1-NH2 3.46Å; D90-R312 IonicContact OD2-NH2 3.33Å; N310-R312 PolarHBondContact O-N 3.01Å; N310-R312 PolarHBondContact OD1-N 3.04Å |
| 313 | E | 97.1 | Very high | 97.9 | Very high | 115 Ų | 115 | 47.6 Ų | 47.6 | 54% | 0.537 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -83.6 | 139.2 | 175.5 | -76.1 | 170.4 | -171.3 | 0 | 0 | 111.4 | N310 G315 T316 | N310-E313 HydrophobicContact CB-CB 4.3Å; N310-E313 HydrophobicContact CB-CG 3.83Å; N310-E313 PolarHBondContact O-N 3.2Å; E313-G315 PolarHBondContact O-N 3.32Å; E313-T316 WeakPolarHBondContact O-CB 3.38Å; E313-T316 PolarHBondContact O-N 3.35Å; E313-T316 PolarHBondContact O-OG1 2.96Å |
| 314 | D | 95.1 | Very high | 97.9 | Very high | 163 Ų | 163 | 53.1 Ų | 53.1 | 87% | 0.872 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 130.2 | 178.4 | -76 | -19.3 | 0 | 0 | 0 | 111.4 | T316 | D314-T316 VanDerWaalsContact C-N 3.33Š|
| 315 | G | 95.1 | Very high | 98 | Very high | 46 Ų | 46 | 58.1 Ų | 58.1 | 47% | 0.474 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | -0.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | R307 E313 Q317 | R307-G315 WeakPolarHBondContact CD-O 3.42Å; E313-G315 PolarHBondContact O-N 3.32Å; G315-Q317 PolarHBondContact O-N 2.72Å |
| 316 | T | 98 | Very high | 98 | Very high | 11 Ų | 11 | 54 Ų | 54 | 7% | 0.067 | 26% | 0.264 | C | S | . | . | trans | -59.9 | 126.3 | 166.4 | -64.1 | 0 | 0 | 0 | 0 | 109.8 | P95 G309 N310 E313 D314 V318 | P95-T316 HydrophobicContact CB-CG2 4.3Å; P95-T316 WeakPolarHBondContact CB-O 3.47Å; P95-T316 HydrophobicContact CG-CG2 3.83Å; G309-T316 VanDerWaalsContact O-CG2 3.31Å; G309-T316 WeakPolarHBondContact O-CG2 3.48Å; N310-T316 WeakPolarHBondContact O-CB 3.37Å; N310-T316 PolarHBondContact O-OG1 2.55Å; E313-T316 WeakPolarHBondContact O-CB 3.38Å; E313-T316 PolarHBondContact O-N 3.35Å; E313-T316 PolarHBondContact O-OG1 2.96Å; D314-T316 VanDerWaalsContact C-N 3.33Å; T316-V318 WeakPolarHBondContact CG2-O 3.4Å | ||
| 317 | Q | 97.9 | Very high | 98 | Very high | 107 Ų | 107 | 54 Ų | 54 | 50% | 0.5 | 26% | 0.262 | S | S | . | . | trans | -104.8 | -31.7 | 178.6 | -66.3 | 173.9 | -63.9 | 0 | 0 | 111.8 | Q305 R307 G315 | Q305-Q317 PolarHBondContact O-OE1 3.49Å; R307-Q317 PolarHBondContact O-N 3.28Å; G315-Q317 PolarHBondContact O-N 2.72Å | ||
| 318 | V | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -125.8 | 119.5 | -176.6 | 176.2 | 0 | 0 | 0 | 0 | 108.9 | V272 T275 V306 R307 V308 G309 T316 | V272-V318 HydrophobicContact CB-CG2 3.88Å; V272-V318 HydrophobicContact CG2-CG2 4.42Å; T275-V318 HydrophobicContact CG2-CG1 3.71Å; V306-V318 HydrophobicContact CG1-CB 4.3Å; V306-V318 HydrophobicContact CG1-CG2 3.44Å; V306-V318 VanDerWaalsContact CG1-CG2 3.44Å; R307-V318 PolarHBondContact O-N 2.97Å; V308-V318 WeakPolarHBondContact CA-O 3.37Å; V308-V318 HydrophobicContact CB-CB 4.49Å; V308-V318 HydrophobicContact CG1-CG1 4.27Å; V308-V318 HydrophobicContact CG2-CB 4.09Å; V308-V318 HydrophobicContact CG2-CG1 4.15Å; G309-V318 PolarHBondContact N-O 2.93Å; G309-V318 VanDerWaalsContact N-O 3.13Å; T316-V318 WeakPolarHBondContact CG2-O 3.4Å |
| 319 | G | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -85.5 | -166.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T275 | T275-G319 VanDerWaalsContact CG2-O 3.25Å; T275-G319 WeakPolarHBondContact CG2-O 3.46Å; T275-G319 PolarHBondContact OG1-N 2.92Å; T275-G319 PolarHBondContact OG1-O 2.82Å | ||
| 320 | P | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -71.8 | 167 | 172.7 | 36.7 | -39.8 | 0 | 0 | 0 | 111.4 | P27 A28 G93 T275 F360 | P27-P320 HydrophobicContact CB-CB 4.02Å; P27-P320 HydrophobicContact CB-CG 3.62Å; P27-P320 HydrophobicContact CG-CG 3.68Å; P27-P320 WeakPolarHBondContact O-CB 3.2Å; A28-P320 HydrophobicContact CB-CG 3.96Å; G93-P320 WeakPolarHBondContact O-CD 3.49Å; T275-P320 PolarHBondContact OG1-O 2.94Å; P320-F360 HydrophobicContact CB-CD1 3.91Å; P320-F360 HydrophobicContact CB-CE1 3.8Å; P320-F360 HydrophobicContact CB-CG 4.39Å; P320-F360 HydrophobicContact CB-CZ 4.2Å; P320-F360 HydrophobicContact CG-CE1 4.19Å | ||
| 321 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -73.3 | 146.8 | 160.9 | -63.5 | -66.9 | 0 | 0 | 0 | 108.7 | P27 T275 Q277 S323 Q326 F327 V330 Y359 A361 | P27-I321 VanDerWaalsContact CB-O 3.27Å; P27-I321 WeakPolarHBondContact CB-O 3.23Å; T275-I321 HydrophobicContact CG2-CD1 3.62Å; T275-I321 HydrophobicContact CG2-CG1 4.2Å; Q277-I321 HydrophobicContact CG-CD1 4.11Å; I321-S323 VanDerWaalsContact C-N 3.26Å; I321-S323 PolarHBondContact O-N 2.91Å; I321-S323 VanDerWaalsContact O-N 3.11Å; I321-Q326 HydrophobicContact CG2-CB 3.55Å; I321-Q326 HydrophobicContact CG2-CG 3.37Å; I321-F327 HydrophobicContact CB-CB 4.3Å; I321-F327 HydrophobicContact CG1-CD2 4.46Å; I321-F327 HydrophobicContact CG2-CB 4.19Å; I321-V330 HydrophobicContact CD1-CG2 4.31Å; I321-Y359 WeakPolarHBondContact CB-O 3.35Å; I321-Y359 PolarHBondContact N-O 3.1Å; I321-Y359 VanDerWaalsContact O-CB 3.29Å; I321-Y359 WeakPolarHBondContact O-CB 3.44Å; I321-A361 HydrophobicContact CD1-CB 4.47Å; I321-A361 HydrophobicContact CG1-CB 3.94Å | ||
| 322 | I | 98.7 | Very high | 98.2 | Very high | 8 Ų | 8 | 53.6 Ų | 53.6 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -57.8 | -31 | -168.9 | -175.1 | 59.6 | 0 | 0 | 0 | 115.2 | P27 E91 L92 W146 E174 T175 Q326 | P27-I322 WeakPolarHBondContact CB-O 3.4Å; E91-I322 VanDerWaalsContact O-CD1 3.24Å; E91-I322 WeakPolarHBondContact O-CD1 3.44Å; L92-I322 HydrophobicContact CD1-CD1 3.99Å; W146-I322 HydrophobicContact CB-CG1 4.39Å; W146-I322 HydrophobicContact CD2-CB 4.08Å; W146-I322 HydrophobicContact CD2-CG1 3.92Å; W146-I322 HydrophobicContact CD2-CG2 3.75Å; W146-I322 HydrophobicContact CE3-CB 3.55Å; W146-I322 HydrophobicContact CE3-CD1 4.35Å; W146-I322 HydrophobicContact CE3-CG1 3.68Å; W146-I322 HydrophobicContact CE3-CG2 3.61Å; W146-I322 HydrophobicContact CG-CG1 4.23Å; W146-I322 HydrophobicContact CH2-CB 4.04Å; W146-I322 HydrophobicContact CH2-CG2 3.38Å; W146-I322 HydrophobicContact CZ2-CG2 3.52Å; W146-I322 HydrophobicContact CZ3-CB 3.56Å; W146-I322 HydrophobicContact CZ3-CG1 4.23Å; W146-I322 HydrophobicContact CZ3-CG2 3.45Å; W146-I322 VanDerWaalsContact CZ3-CG2 3.45Å; E174-I322 HydrophobicContact CB-CD1 4.29Å; E174-I322 HydrophobicContact CB-CG1 3.99Å; E174-I322 WeakPolarHBondContact OE2-CG1 3.48Å; E174-I322 WeakPolarHBondContact OE2-CG2 3.08Å; T175-I322 HydrophobicContact CG2-CD1 3.68Å; I322-Q326 HydrophobicContact CG2-CB 3.84Å; I322-Q326 HydrophobicContact CG2-CG 4.11Å |
| 323 | S | 98.6 | Very high | 98.2 | Very high | 17 Ų | 17 | 51 Ų | 51 | 12% | 0.119 | 26% | 0.258 | C | S | . | . | trans | -156.6 | 162.1 | -175.3 | 68.2 | 0 | 0 | 0 | 0 | 112.1 | E174 I321 K325 Q326 F327 Y359 | E174-S323 WeakPolarHBondContact OE1-CB 3.2Å; E174-S323 PolarHBondContact OE1-OG 3.06Å; I321-S323 VanDerWaalsContact C-N 3.26Å; I321-S323 PolarHBondContact O-N 2.91Å; I321-S323 VanDerWaalsContact O-N 3.11Å; S323-K325 PolarHBondContact O-N 3.42Å; S323-Q326 PolarHBondContact O-N 3.26Å; S323-Q326 PolarHBondContact OG-N 3.48Å; S323-F327 WeakPolarHBondContact O-CB 3.32Å; S323-F327 PolarHBondContact O-N 3.38Å; S323-Y359 VanDerWaalsContact C-CD2 3.43Å; S323-Y359 VanDerWaalsContact CA-CD2 3.5Å | ||
| 324 | K | 98.4 | Very high | 98.3 | Very high | 116 Ų | 116 | 45.5 Ų | 45.5 | 50% | 0.504 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -54.3 | -42.8 | 175 | -172.6 | -177.1 | -176.3 | -59.3 | 0 | 111.5 | Q326 F327 D328 Y359 | K324-Q326 PolarHBondContact O-N 3.06Å; K324-F327 PolarHBondContact O-N 2.93Å; K324-D328 IonicContact NZ-OD1 2.7Å; K324-D328 PolarHBondContact NZ-OD1 3.34Å; K324-D328 IonicContact NZ-OD2 3.5Å; K324-D328 PolarHBondContact NZ-OD2 3.45Å; K324-D328 WeakPolarHBondContact O-CB 3.21Å; K324-D328 PolarHBondContact O-N 3.44Å; K324-Y359 HydrophobicContact CB-CD1 4.27Å; K324-Y359 HydrophobicContact CB-CE1 3.64Å; K324-Y359 HydrophobicContact CB-CE2 4.49Å; K324-Y359 HydrophobicContact CG-CE1 4.23Å; K324-Y359 VanDerWaalsContact N-CE2 3.33Å |
| 325 | K | 98.6 | Very high | 98.5 | Very high | 162 Ų | 162 | 40.5 Ų | 40.5 | 70% | 0.704 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -59.8 | -47.8 | 179.5 | 180 | -174.4 | 172.8 | -171.2 | 0 | 111.2 | S323 Q329 | S323-K325 PolarHBondContact O-N 3.42Å; K325-Q329 PolarHBondContact O-N 2.95Å |
| 326 | Q | 98.7 | Very high | 98.7 | Very high | 20 Ų | 20 | 42.2 Ų | 42.2 | 9% | 0.093 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.8 | -37.8 | 178.8 | -175.9 | 57.4 | 30.8 | 0 | 0 | 111.4 | W146 I321 I322 S323 K324 Q329 V330 I380 F381 | W146-Q326 HydrophobicContact CH2-CG 4.24Å; W146-Q326 HydrophobicContact CZ2-CG 4.23Å; I321-Q326 HydrophobicContact CG2-CB 3.55Å; I321-Q326 HydrophobicContact CG2-CG 3.37Å; I322-Q326 HydrophobicContact CG2-CB 3.84Å; I322-Q326 HydrophobicContact CG2-CG 4.11Å; S323-Q326 PolarHBondContact O-N 3.26Å; S323-Q326 PolarHBondContact OG-N 3.48Å; K324-Q326 PolarHBondContact O-N 3.06Å; Q326-Q329 WeakPolarHBondContact O-CB 3.39Å; Q326-Q329 PolarHBondContact O-N 3.29Å; Q326-V330 WeakPolarHBondContact O-CG2 3.45Å; Q326-V330 PolarHBondContact O-N 2.82Å; Q326-I380 PolarHBondContact NE2-O 2.87Å; Q326-F381 PolarHBondContact NE2-O 2.86Å |
| 327 | F | 98.9 | Very high | 98.7 | Very high | 19 Ų | 19 | 41.7 Ų | 41.7 | 8% | 0.083 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.4 | -50.9 | 174.6 | 176.8 | -93.8 | 0 | 0 | 0 | 111.4 | I321 S323 K324 Q329 V330 Q331 K351 Y359 F360 A361 | I321-F327 HydrophobicContact CB-CB 4.3Å; I321-F327 HydrophobicContact CG1-CD2 4.46Å; I321-F327 HydrophobicContact CG2-CB 4.19Å; S323-F327 WeakPolarHBondContact O-CB 3.32Å; S323-F327 PolarHBondContact O-N 3.38Å; K324-F327 PolarHBondContact O-N 2.93Å; F327-Q329 VanDerWaalsContact C-N 3.27Å; F327-Q329 PolarHBondContact O-N 3.28Å; F327-V330 PolarHBondContact O-N 3.41Å; F327-V330 VanDerWaalsContact O-N 3.11Å; F327-Q331 HydrophobicContact CD1-CG 3.94Å; F327-Q331 HydrophobicContact CE1-CG 3.54Å; F327-Q331 HydrophobicContact CE2-CG 4.36Å; F327-Q331 HydrophobicContact CZ-CG 3.77Å; F327-Q331 WeakPolarHBondContact O-CG 3.43Å; F327-Q331 PolarHBondContact O-N 2.92Å; F327-K351 HydrophobicContact CE2-CG 4.15Å; F327-K351 HydrophobicContact CZ-CG 3.77Å; F327-Y359 HydrophobicContact CB-CG 4.5Å; F327-F360 WeakPolarHBondContact CE2-O 3.39Å; F327-A361 HydrophobicContact CD2-CB 4.38Å; F327-A361 HydrophobicContact CE2-CB 4.23Å |
| 328 | D | 98.8 | Very high | 98.8 | Very high | 56 Ų | 56 | 40.2 Ų | 40.2 | 30% | 0.299 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -59.1 | -39 | 178.1 | -66.2 | -20.5 | 0 | 0 | 0 | 111.1 | K324 Q331 N332 | K324-D328 IonicContact NZ-OD1 2.7Å; K324-D328 PolarHBondContact NZ-OD1 3.34Å; K324-D328 IonicContact NZ-OD2 3.5Å; K324-D328 PolarHBondContact NZ-OD2 3.45Å; K324-D328 WeakPolarHBondContact O-CB 3.21Å; K324-D328 PolarHBondContact O-N 3.44Å; D328-Q331 PolarHBondContact O-N 3.46Å; D328-N332 WeakPolarHBondContact O-CB 3.09Å; D328-N332 PolarHBondContact O-N 3.15Å; D328-N332 PolarHBondContact O-ND2 2.82Å |
| 329 | Q | 98.8 | Very high | 98.8 | Very high | 67 Ų | 67 | 47 Ų | 47 | 31% | 0.313 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.1 | -46.6 | 174.2 | 178.3 | 172.6 | -41.8 | 0 | 0 | 111.9 | K325 Q326 F327 Q331 N332 Y333 | K325-Q329 PolarHBondContact O-N 2.95Å; Q326-Q329 WeakPolarHBondContact O-CB 3.39Å; Q326-Q329 PolarHBondContact O-N 3.29Å; F327-Q329 VanDerWaalsContact C-N 3.27Å; F327-Q329 PolarHBondContact O-N 3.28Å; Q329-Q331 VanDerWaalsContact C-N 3.32Å; Q329-Q331 PolarHBondContact O-N 3.11Å; Q329-N332 PolarHBondContact O-N 3.35Å; Q329-Y333 HydrophobicContact CG-CD2 3.9Å; Q329-Y333 HydrophobicContact CG-CE2 3.71Å; Q329-Y333 VanDerWaalsContact O-CD2 3.29Å; Q329-Y333 WeakPolarHBondContact O-CD2 3.23Å; Q329-Y333 PolarHBondContact O-N 2.88Å |
| 330 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.4 | -43.6 | 175.8 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | I321 Q326 F327 N332 Y333 I334 I380 V384 | I321-V330 HydrophobicContact CD1-CG2 4.31Å; Q326-V330 WeakPolarHBondContact O-CG2 3.45Å; Q326-V330 PolarHBondContact O-N 2.82Å; F327-V330 PolarHBondContact O-N 3.41Å; F327-V330 VanDerWaalsContact O-N 3.11Å; V330-N332 VanDerWaalsContact C-N 3.33Å; V330-N332 PolarHBondContact O-N 3.34Å; V330-Y333 PolarHBondContact O-N 3.31Å; V330-I334 HydrophobicContact CG1-CD1 4.03Å; V330-I334 WeakPolarHBondContact O-CG1 3.07Å; V330-I334 PolarHBondContact O-N 3.41Å; V330-I380 HydrophobicContact CG1-CG2 4.36Å; V330-I380 HydrophobicContact CG2-CG2 4.26Å; V330-V384 HydrophobicContact CG1-CG2 4.11Å |
| 331 | Q | 98.9 | Very high | 98.7 | Very high | 19 Ų | 19 | 52.5 Ų | 52.5 | 9% | 0.089 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 176.8 | -61.1 | -42.7 | -59.1 | 0 | 0 | 112.1 | F327 D328 Q329 Y333 I334 N335 P349 | F327-Q331 HydrophobicContact CD1-CG 3.94Å; F327-Q331 HydrophobicContact CE1-CG 3.54Å; F327-Q331 HydrophobicContact CE2-CG 4.36Å; F327-Q331 HydrophobicContact CZ-CG 3.77Å; F327-Q331 WeakPolarHBondContact O-CG 3.43Å; F327-Q331 PolarHBondContact O-N 2.92Å; D328-Q331 PolarHBondContact O-N 3.46Å; Q329-Q331 VanDerWaalsContact C-N 3.32Å; Q329-Q331 PolarHBondContact O-N 3.11Å; Q331-Y333 PolarHBondContact O-N 2.9Å; Q331-I334 PolarHBondContact O-N 2.99Å; Q331-N335 PolarHBondContact O-N 3.27Å; Q331-N335 PolarHBondContact O-ND2 2.87Å; Q331-P349 VanDerWaalsContact OE1-CA 3.27Å |
| 332 | N | 98.9 | Very high | 98.7 | Very high | 106 Ų | 106 | 52.8 Ų | 52.8 | 57% | 0.567 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -62.3 | -42.3 | 177.1 | -70.2 | -22.8 | 0 | 0 | 0 | 111.7 | D328 Q329 V330 N335 K336 | D328-N332 WeakPolarHBondContact O-CB 3.09Å; D328-N332 PolarHBondContact O-N 3.15Å; D328-N332 PolarHBondContact O-ND2 2.82Å; Q329-N332 PolarHBondContact O-N 3.35Å; V330-N332 VanDerWaalsContact C-N 3.33Å; V330-N332 PolarHBondContact O-N 3.34Å; N332-N335 PolarHBondContact O-N 3.04Å; N332-K336 VanDerWaalsContact O-CB 3.28Å; N332-K336 WeakPolarHBondContact O-CB 3.39Å; N332-K336 PolarHBondContact O-N 3.25Å |
| 333 | Y | 98.9 | Very high | 98.7 | Very high | 38 Ų | 38 | 57 Ų | 57 | 15% | 0.149 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.4 | -38 | 175.4 | -82.9 | -66 | 0 | 0 | 0 | 112.9 | Q329 V330 Q331 K336 G337 T374 I375 E378 I380 | Q329-Y333 HydrophobicContact CG-CD2 3.9Å; Q329-Y333 HydrophobicContact CG-CE2 3.71Å; Q329-Y333 VanDerWaalsContact O-CD2 3.29Å; Q329-Y333 WeakPolarHBondContact O-CD2 3.23Å; Q329-Y333 PolarHBondContact O-N 2.88Å; V330-Y333 PolarHBondContact O-N 3.31Å; Q331-Y333 PolarHBondContact O-N 2.9Å; Y333-K336 WeakPolarHBondContact O-CB 2.88Å; Y333-K336 PolarHBondContact O-N 3.02Å; Y333-G337 PolarHBondContact O-N 3.5Å; Y333-T374 HydrophobicContact CD1-CG2 3.98Å; Y333-T374 HydrophobicContact CE1-CG2 3.65Å; Y333-I375 WeakPolarHBondContact O-CG2 3.22Å; Y333-E378 HydrophobicContact CE1-CB 3.87Å; Y333-E378 VanDerWaalsContact CE1-OE2 3.29Å; Y333-E378 WeakPolarHBondContact CE1-OE2 3.45Å; Y333-E378 PolarHBondContact OH-OE2 2.87Å; Y333-I380 HydrophobicContact CD1-CG1 4.09Å; Y333-I380 HydrophobicContact CD2-CB 4.23Å; Y333-I380 HydrophobicContact CD2-CG1 4.17Å; Y333-I380 HydrophobicContact CD2-CG2 3.99Å; Y333-I380 HydrophobicContact CG-CB 4.32Å; Y333-I380 HydrophobicContact CG-CG1 3.81Å; Y333-I380 HydrophobicContact CG-CG2 4.11Å |
| 334 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.8 | -48.8 | 174.6 | -67.5 | 168 | 0 | 0 | 0 | 110.1 | V330 Q331 K336 G337 I338 P349 T364 F366 V384 | V330-I334 HydrophobicContact CG1-CD1 4.03Å; V330-I334 WeakPolarHBondContact O-CG1 3.07Å; V330-I334 PolarHBondContact O-N 3.41Å; Q331-I334 PolarHBondContact O-N 2.99Å; I334-K336 VanDerWaalsContact C-N 3.3Å; I334-K336 PolarHBondContact O-N 3.1Å; I334-G337 PolarHBondContact O-N 3.37Å; I334-I338 HydrophobicContact CG2-CD1 4.41Å; I334-I338 PolarHBondContact O-N 2.95Å; I334-P349 HydrophobicContact CG2-CB 4.25Å; I334-T364 HydrophobicContact CG1-CG2 4.45Å; I334-T364 HydrophobicContact CG2-CG2 4.49Å; I334-F366 HydrophobicContact CG2-CE2 4.28Å; I334-F366 HydrophobicContact CG2-CZ 4.02Å; I334-F366 VanDerWaalsContact O-CZ 3.29Å; I334-F366 WeakPolarHBondContact O-CZ 3.47Å; I334-V384 HydrophobicContact CD1-CG2 4.05Å; I334-V384 HydrophobicContact CG1-CG2 3.86Å |
| 335 | N | 98.9 | Very high | 98.7 | Very high | 58 Ų | 58 | 56 Ų | 56 | 31% | 0.31 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61 | -41.2 | 177.1 | -69.4 | -33.2 | 0 | 0 | 0 | 111.6 | Q331 N332 G337 I338 E339 | Q331-N335 PolarHBondContact O-N 3.27Å; Q331-N335 PolarHBondContact O-ND2 2.87Å; N332-N335 PolarHBondContact O-N 3.04Å; N335-G337 VanDerWaalsContact C-N 3.33Å; N335-G337 PolarHBondContact O-N 3.38Å; N335-I338 WeakPolarHBondContact O-CB 3.42Å; N335-I338 PolarHBondContact O-N 2.96Å; N335-I338 VanDerWaalsContact O-N 3.16Å; N335-E339 WeakPolarHBondContact O-CG 3.46Å; N335-E339 PolarHBondContact O-N 3.11Å |
| 336 | K | 98.8 | Very high | 98.7 | Very high | 83 Ų | 83 | 51.7 Ų | 51.7 | 36% | 0.361 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.4 | -41.6 | 176.5 | -169.1 | 59.8 | 160.3 | 164.4 | 0 | 112.5 | N332 Y333 I334 I338 E339 E340 T374 | N332-K336 VanDerWaalsContact O-CB 3.28Å; N332-K336 WeakPolarHBondContact O-CB 3.39Å; N332-K336 PolarHBondContact O-N 3.25Å; Y333-K336 WeakPolarHBondContact O-CB 2.88Å; Y333-K336 PolarHBondContact O-N 3.02Å; I334-K336 VanDerWaalsContact C-N 3.3Å; I334-K336 PolarHBondContact O-N 3.1Å; K336-I338 VanDerWaalsContact C-N 3.35Å; K336-I338 PolarHBondContact O-N 3.22Å; K336-E339 PolarHBondContact O-N 2.9Å; K336-E340 HydrophobicContact CD-CG 4.38Å; K336-E340 WeakPolarHBondContact CE-OE1 3.45Å; K336-E340 IonicContact NZ-OE1 2.81Å; K336-E340 WeakPolarHBondContact O-CB 3.23Å; K336-E340 WeakPolarHBondContact O-CG 3.47Å; K336-E340 PolarHBondContact O-N 2.92Å; K336-T374 HydrophobicContact CG-CG2 4.06Å |
| 337 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.4 | -44.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y333 I334 N335 E340 G341 A342 | Y333-G337 PolarHBondContact O-N 3.5Å; I334-G337 PolarHBondContact O-N 3.37Å; N335-G337 VanDerWaalsContact C-N 3.33Å; N335-G337 PolarHBondContact O-N 3.38Å; G337-E340 PolarHBondContact O-N 2.9Å; G337-G341 PolarHBondContact O-N 3.47Å; G337-A342 VanDerWaalsContact O-CB 3.29Å; G337-A342 WeakPolarHBondContact O-CB 3.36Å; G337-A342 PolarHBondContact O-N 3.38Å |
| 338 | I | 98.8 | Very high | 98.7 | Very high | 75 Ų | 75 | 51.1 Ų | 51.1 | 39% | 0.385 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.6 | -46.3 | 175.8 | -61.5 | 166.9 | 0 | 0 | 0 | 110.6 | I334 N335 K336 E340 G341 L344 F366 | I334-I338 HydrophobicContact CG2-CD1 4.41Å; I334-I338 PolarHBondContact O-N 2.95Å; N335-I338 WeakPolarHBondContact O-CB 3.42Å; N335-I338 PolarHBondContact O-N 2.96Å; N335-I338 VanDerWaalsContact O-N 3.16Å; K336-I338 VanDerWaalsContact C-N 3.35Å; K336-I338 PolarHBondContact O-N 3.22Å; I338-E340 VanDerWaalsContact C-N 3.32Å; I338-E340 PolarHBondContact O-N 3.06Å; I338-G341 PolarHBondContact O-N 2.91Å; I338-G341 VanDerWaalsContact O-N 3.15Å; I338-L344 HydrophobicContact CD1-CD2 4.2Å; I338-L344 HydrophobicContact CG1-CB 4.48Å; I338-F366 HydrophobicContact CG1-CE1 3.72Å; I338-F366 HydrophobicContact CG1-CZ 3.9Å |
| 339 | E | 98.6 | Very high | 98.7 | Very high | 144 Ų | 144 | 51.1 Ų | 51.1 | 67% | 0.673 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -62.7 | -35.8 | -179.9 | -72.9 | 170.1 | -170.5 | 0 | 0 | 113 | N335 K336 G341 | N335-E339 WeakPolarHBondContact O-CG 3.46Å; N335-E339 PolarHBondContact O-N 3.11Å; K336-E339 PolarHBondContact O-N 2.9Å; E339-G341 PolarHBondContact O-N 2.88Å |
| 340 | E | 98.6 | Very high | 98.7 | Very high | 57 Ų | 57 | 49.4 Ų | 49.4 | 27% | 0.266 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -1.1 | 178.1 | -70.3 | 178.5 | 176.8 | 0 | 0 | 113.4 | K336 G337 I338 M373 T374 | K336-E340 HydrophobicContact CD-CG 4.38Å; K336-E340 WeakPolarHBondContact CE-OE1 3.45Å; K336-E340 IonicContact NZ-OE1 2.81Å; K336-E340 WeakPolarHBondContact O-CB 3.23Å; K336-E340 WeakPolarHBondContact O-CG 3.47Å; K336-E340 PolarHBondContact O-N 2.92Å; G337-E340 PolarHBondContact O-N 2.9Å; I338-E340 VanDerWaalsContact C-N 3.32Å; I338-E340 PolarHBondContact O-N 3.06Å; E340-M373 HydrophobicContact CB-CG 4.36Å; E340-M373 VanDerWaalsContact O-CE 3.31Å; E340-M373 WeakPolarHBondContact O-CE 3.46Å; E340-M373 WeakPolarHBondContact OE2-CA 3.47Å; E340-T374 WeakPolarHBondContact OE1-CB 3.26Å; E340-T374 PolarHBondContact OE1-OG1 3.43Å; E340-T374 WeakPolarHBondContact OE2-CB 3.16Å; E340-T374 PolarHBondContact OE2-N 3.32Å; E340-T374 PolarHBondContact OE2-OG1 3.02Å |
| 341 | G | 97.9 | Very high | 98.6 | Very high | 57 Ų | 57 | 52.1 Ų | 52.1 | 59% | 0.588 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.9 | 10.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | G337 I338 E339 | G337-G341 PolarHBondContact O-N 3.47Å; I338-G341 PolarHBondContact O-N 2.91Å; I338-G341 VanDerWaalsContact O-N 3.15Å; E339-G341 PolarHBondContact O-N 2.88Å |
| 342 | A | 98.6 | Very high | 98.6 | Very high | 7 Ų | 7 | 52.4 Ų | 52.4 | 6% | 0.058 | 29% | 0.286 | C | S | . | . | trans | -65.4 | 139.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110 | G337 L344 F366 V369 M373 I375 | G337-A342 VanDerWaalsContact O-CB 3.29Å; G337-A342 WeakPolarHBondContact O-CB 3.36Å; G337-A342 PolarHBondContact O-N 3.38Å; A342-L344 PolarHBondContact O-N 3.25Å; A342-F366 HydrophobicContact CB-CB 4.14Å; A342-F366 HydrophobicContact CB-CD1 3.6Å; A342-F366 HydrophobicContact CB-CE1 4.33Å; A342-F366 HydrophobicContact CB-CG 4.11Å; A342-V369 HydrophobicContact CB-CG2 4.13Å; A342-M373 HydrophobicContact CB-SD 3.82Å; A342-I375 HydrophobicContact CB-CD1 3.79Å | ||
| 343 | E | 98.7 | Very high | 98.4 | Very high | 97 Ų | 97 | 56 Ų | 56 | 45% | 0.453 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 119.8 | -179.6 | -177.3 | -176.5 | 152.5 | 0 | 0 | 110.3 | F345 F366 I367 N368 | E343-F345 PolarHBondContact O-N 2.95Å; E343-F345 VanDerWaalsContact O-N 3.12Å; E343-F366 WeakPolarHBondContact O-CA 3.22Å; E343-I367 HydrophobicContact CB-CG1 3.79Å; E343-I367 HydrophobicContact CG-CD1 4.44Å; E343-I367 HydrophobicContact CG-CG1 4.07Å; E343-I367 PolarHBondContact N-O 3.48Å; E343-I367 PolarHBondContact O-N 3.41Å; E343-N368 PolarHBondContact OE2-ND2 2.96Å |
| 344 | L | 98.8 | Very high | 98.3 | Very high | 66 Ų | 66 | 56.8 Ų | 56.8 | 35% | 0.346 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 100.3 | 174 | -179 | 66.8 | 0 | 0 | 0 | 110.3 | I338 A342 T364 F366 | I338-L344 HydrophobicContact CD1-CD2 4.2Å; I338-L344 HydrophobicContact CG1-CB 4.48Å; A342-L344 PolarHBondContact O-N 3.25Å; L344-T364 HydrophobicContact CD1-CG2 3.62Å; L344-F366 HydrophobicContact CB-CD1 4.43Å; L344-F366 HydrophobicContact CB-CE1 4Å; L344-F366 HydrophobicContact CD1-CD1 4.48Å; L344-F366 HydrophobicContact CD1-CE1 3.94Å; L344-F366 HydrophobicContact CD1-CE2 4.49Å; L344-F366 HydrophobicContact CD1-CZ 3.94Å |
| 345 | F | 98.7 | Very high | 98.2 | Very high | 46 Ų | 46 | 58.3 Ų | 58.3 | 20% | 0.202 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -33.7 | -174.1 | -177.7 | -113.8 | 0 | 0 | 0 | 113.6 | L296 K300 E343 I365 I367 | L296-F345 HydrophobicContact CB-CE1 4.15Å; L296-F345 HydrophobicContact CB-CZ 3.89Å; L296-F345 HydrophobicContact CD2-CE1 4.41Å; L296-F345 WeakPolarHBondContact O-CE1 3.48Å; K300-F345 HydrophobicContact CB-CE1 3.75Å; K300-F345 HydrophobicContact CB-CZ 4.13Å; K300-F345 HydrophobicContact CD-CE1 4.13Å; K300-F345 HydrophobicContact CD-CZ 3.98Å; K300-F345 HydrophobicContact CG-CE1 4.23Å; E343-F345 PolarHBondContact O-N 2.95Å; E343-F345 VanDerWaalsContact O-N 3.12Å; F345-I365 HydrophobicContact CB-CB 4.36Å; F345-I365 HydrophobicContact CB-CG2 4.28Å; F345-I365 HydrophobicContact CD1-CB 4.3Å; F345-I365 HydrophobicContact CD1-CD1 4.16Å; F345-I365 HydrophobicContact CD1-CG2 4.07Å; F345-I365 PolarHBondContact N-O 2.98Å; F345-I367 HydrophobicContact CB-CB 4.45Å; F345-I367 HydrophobicContact CB-CD1 4.17Å; F345-I367 HydrophobicContact CB-CG1 4.06Å; F345-I367 HydrophobicContact CB-CG2 3.72Å; F345-I367 HydrophobicContact CD1-CG2 4.18Å; F345-I367 HydrophobicContact CD2-CD1 3.67Å; F345-I367 HydrophobicContact CD2-CG1 4.48Å; F345-I367 HydrophobicContact CD2-CG2 4.48Å; F345-I367 HydrophobicContact CE2-CD1 4.34Å; F345-I367 HydrophobicContact CG-CD1 4.1Å; F345-I367 HydrophobicContact CG-CG1 4.49Å; F345-I367 HydrophobicContact CG-CG2 3.9Å |
| 346 | Y | 98.7 | Very high | 98.1 | Very high | 70 Ų | 70 | 61.9 Ų | 61.9 | 28% | 0.275 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 151.5 | 177.9 | -174 | -89.5 | 0 | 0 | 0 | 110.4 | K300 F303 P363 T364 I365 | K300-Y346 HydrophobicContact CG-CD2 4.09Å; F303-Y346 HydrophobicContact CB-CD1 3.97Å; F303-Y346 HydrophobicContact CB-CE1 4.01Å; F303-Y346 HydrophobicContact CB-CG 4.41Å; F303-Y346 HydrophobicContact CD1-CD1 4.11Å; F303-Y346 HydrophobicContact CD1-CE1 4.44Å; F303-Y346 HydrophobicContact CG-CD1 4.47Å; Y346-P363 WeakPolarHBondContact CD1-O 3.29Å; Y346-T364 WeakPolarHBondContact O-CA 3.33Å; Y346-I365 PolarHBondContact N-O 3.29Å; Y346-I365 PolarHBondContact O-N 2.76Å |
| 347 | G | 98.5 | Very high | 98 | Very high | 27 Ų | 27 | 62.9 Ų | 62.9 | 28% | 0.278 | 35% | 0.346 | S | S | . | . | trans | 78.7 | -127.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | P363 | G347-P363 WeakPolarHBondContact CA-O 3.48Š| ||
| 348 | G | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.01 | 35% | 0.346 | C | S | . | . | trans | 115.7 | -173 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | T364 | G348-T364 PolarHBondContact N-OG1 2.95Š| ||
| 349 | P | 98.5 | Very high | 98 | Very high | 55 Ų | 55 | 60.9 Ų | 60.9 | 36% | 0.357 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -68.8 | 158.3 | -174 | 28.6 | -34.7 | 0 | 0 | 0 | 112.3 | Q331 I334 | Q331-P349 VanDerWaalsContact OE1-CA 3.27Å; I334-P349 HydrophobicContact CG2-CB 4.25Å |
| 350 | G | 98.1 | Very high | 98 | Very high | 31 Ų | 31 | 54.2 Ų | 54.2 | 32% | 0.32 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 91 | -171.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 351 | K | 98.5 | Very high | 98 | Very high | 58 Ų | 58 | 51.5 Ų | 51.5 | 25% | 0.252 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -95.9 | 155.4 | -179.4 | -54.5 | -170.6 | -175 | -178.1 | 0 | 111.1 | E30 F327 L355 E356 G358 F360 R362 | E30-K351 IonicContact OE1-NZ 2.7Å; F327-K351 HydrophobicContact CE2-CG 4.15Å; F327-K351 HydrophobicContact CZ-CG 3.77Å; K351-L355 VanDerWaalsContact CD-O 3.23Å; K351-L355 WeakPolarHBondContact CD-O 3.31Å; K351-E356 PolarHBondContact NZ-O 2.83Å; K351-G358 WeakPolarHBondContact CD-O 3.31Å; K351-G358 WeakPolarHBondContact CE-O 3.45Å; K351-G358 PolarHBondContact NZ-O 3.48Å; K351-F360 WeakPolarHBondContact CA-O 3.32Å; K351-F360 WeakPolarHBondContact CB-O 3.38Å; K351-F360 WeakPolarHBondContact CG-O 3.41Å; K351-R362 PolarHBondContact O-NE 2.85Å; K351-R362 PolarHBondContact O-NH2 2.93Å |
| 352 | P | 97.8 | Very high | 98.1 | Very high | 25 Ų | 25 | 53.3 Ų | 53.3 | 16% | 0.162 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 153 | 165.9 | -20.5 | 32.8 | 0 | 0 | 0 | 111.3 | V308 L355 F360 R362 | V308-P352 HydrophobicContact CB-CG 4.12Å; V308-P352 HydrophobicContact CG1-CG 4.02Å; V308-P352 HydrophobicContact CG2-CG 4.41Å; P352-L355 HydrophobicContact CB-CD1 4.06Å; P352-L355 HydrophobicContact CG-CD1 4.11Å; P352-L355 PolarHBondContact O-N 3.29Å; P352-F360 VanDerWaalsContact CD-O 3.32Å; P352-F360 WeakPolarHBondContact CD-O 3.49Å; P352-F360 HydrophobicContact CG-CB 4.49Å; P352-R362 HydrophobicContact CG-CG 4.04Å |
| 353 | E | 95.7 | Very high | 98.1 | Very high | 182 Ų | 182 | 53.4 Ų | 53.4 | 85% | 0.85 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 136.3 | 176.2 | -174.9 | 176.7 | -179.6 | 0 | 0 | 110.7 | L355 | E353-L355 VanDerWaalsContact C-N 3.28Å; E353-L355 PolarHBondContact O-N 2.78Å |
| 354 | G | 96.2 | Very high | 98.1 | Very high | 53 Ų | 53 | 48.8 Ų | 48.8 | 55% | 0.546 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | 1.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | E356 | G354-E356 WeakPolarHBondContact CA-OE1 3.49Å; G354-E356 WeakPolarHBondContact CA-OE2 3.32Å; G354-E356 PolarHBondContact N-OE1 2.7Å |
| 355 | L | 97.4 | Very high | 98.1 | Very high | 32 Ų | 32 | 45.6 Ų | 45.6 | 17% | 0.168 | 24% | 0.241 | C | C | . | . | trans | -118.2 | 51.3 | 176.9 | -64.5 | -179.5 | 0 | 0 | 0 | 111.1 | V308 K351 P352 E353 F360 | V308-L355 HydrophobicContact CB-CD1 4.33Å; V308-L355 HydrophobicContact CG1-CD1 4Å; K351-L355 VanDerWaalsContact CD-O 3.23Å; K351-L355 WeakPolarHBondContact CD-O 3.31Å; P352-L355 HydrophobicContact CB-CD1 4.06Å; P352-L355 HydrophobicContact CG-CD1 4.11Å; P352-L355 PolarHBondContact O-N 3.29Å; E353-L355 VanDerWaalsContact C-N 3.28Å; E353-L355 PolarHBondContact O-N 2.78Å; L355-F360 HydrophobicContact CB-CB 4.12Å; L355-F360 HydrophobicContact CB-CD2 3.81Å; L355-F360 HydrophobicContact CB-CG 4.1Å; L355-F360 HydrophobicContact CD1-CB 4.05Å; L355-F360 HydrophobicContact CD1-CD1 4.16Å; L355-F360 HydrophobicContact CD1-CD2 4.27Å; L355-F360 HydrophobicContact CD1-CG 3.9Å; L355-F360 HydrophobicContact CD2-CD2 4.38Å; L355-F360 HydrophobicContact CD2-CE2 4.35Å; L355-F360 HydrophobicContact CG-CD2 4.39Å; L355-F360 HydrophobicContact CG-CG 4.49Å | ||
| 356 | E | 95.8 | Very high | 98.1 | Very high | 133 Ų | 133 | 43.4 Ų | 43.4 | 62% | 0.621 | 23% | 0.231 | S | C | * | . | trans | -70.5 | -32.1 | -175.8 | -64.7 | 71.4 | -154.5 | 0 | 0 | 113 | K351 G354 | K351-E356 PolarHBondContact NZ-O 2.83Å; G354-E356 WeakPolarHBondContact CA-OE1 3.49Å; G354-E356 WeakPolarHBondContact CA-OE2 3.32Å; G354-E356 PolarHBondContact N-OE1 2.7Å | ||
| 357 | K | 97.5 | Very high | 98.1 | Very high | 105 Ų | 105 | 40.5 Ų | 40.5 | 46% | 0.457 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -94.9 | 140.2 | 173.6 | -161.5 | -173.6 | -159.9 | -149.3 | 0 | 109.8 | T29 E30 E31 F360 | T29-K357 WeakPolarHBondContact O-CD 3.38Å; T29-K357 WeakPolarHBondContact O-CE 3.39Å; T29-K357 PolarHBondContact O-NZ 2.89Å; E30-K357 HydrophobicContact CG-CG 4.44Å; E31-K357 IonicContact OE1-NZ 3.42Å; E31-K357 PolarHBondContact OE1-NZ 2.96Å; K357-F360 WeakPolarHBondContact O-CD2 3.39Å; K357-F360 VanDerWaalsContact O-CE2 3.22Å; K357-F360 WeakPolarHBondContact O-CE2 3.32Å |
| 358 | G | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | S | Bend | trans | 90.9 | 159.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P27 A28 E30 K351 F360 | P27-G358 CarbonylContact O-C 3.52Å; P27-G358 WeakPolarHBondContact O-CA 3.35Å; A28-G358 VanDerWaalsContact O-CA 3.31Å; A28-G358 WeakPolarHBondContact O-CA 3.27Å; E30-G358 WeakPolarHBondContact OE1-CA 3.47Å; E30-G358 PolarHBondContact OE1-N 3.39Å; K351-G358 WeakPolarHBondContact CD-O 3.31Å; K351-G358 WeakPolarHBondContact CE-O 3.45Å; K351-G358 PolarHBondContact NZ-O 3.48Å; G358-F360 PolarHBondContact O-N 3.06Å |
| 359 | Y | 98.8 | Very high | 98 | Very high | 32 Ų | 32 | 43 Ų | 43 | 13% | 0.125 | 23% | 0.227 | C | C | . | . | trans | -88.9 | 48.5 | -170.4 | -53.2 | -46.5 | 0 | 0 | 0 | 112.9 | P27 E30 I321 S323 K324 F327 A361 | P27-Y359 HydrophobicContact CB-CD2 3.89Å; P27-Y359 HydrophobicContact CB-CE2 4.46Å; P27-Y359 PolarHBondContact O-N 2.98Å; E30-Y359 HydrophobicContact CG-CE1 3.92Å; E30-Y359 HydrophobicContact CG-CE2 4.5Å; I321-Y359 WeakPolarHBondContact CB-O 3.35Å; I321-Y359 PolarHBondContact N-O 3.1Å; I321-Y359 VanDerWaalsContact O-CB 3.29Å; I321-Y359 WeakPolarHBondContact O-CB 3.44Å; S323-Y359 VanDerWaalsContact C-CD2 3.43Å; S323-Y359 VanDerWaalsContact CA-CD2 3.5Å; K324-Y359 HydrophobicContact CB-CD1 4.27Å; K324-Y359 HydrophobicContact CB-CE1 3.64Å; K324-Y359 HydrophobicContact CB-CE2 4.49Å; K324-Y359 HydrophobicContact CG-CE1 4.23Å; K324-Y359 VanDerWaalsContact N-CE2 3.33Å; F327-Y359 HydrophobicContact CB-CG 4.5Å; Y359-A361 PolarHBondContact O-N 2.98Å | ||
| 360 | F | 98.8 | Very high | 98 | Very high | 5 Ų | 5 | 44.7 Ų | 44.7 | 2% | 0.022 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -77.9 | 118.4 | -176.2 | -61.2 | -75.6 | 0 | 0 | 0 | 112.3 | A28 V308 G309 P320 F327 K351 P352 L355 K357 G358 | A28-F360 HydrophobicContact CB-CE2 4.47Å; A28-F360 HydrophobicContact CB-CZ 3.77Å; V308-F360 HydrophobicContact CG1-CB 4.15Å; V308-F360 HydrophobicContact CG1-CD1 3.91Å; V308-F360 HydrophobicContact CG1-CG 4.45Å; G309-F360 WeakPolarHBondContact O-CE1 3.23Å; P320-F360 HydrophobicContact CB-CD1 3.91Å; P320-F360 HydrophobicContact CB-CE1 3.8Å; P320-F360 HydrophobicContact CB-CG 4.39Å; P320-F360 HydrophobicContact CB-CZ 4.2Å; P320-F360 HydrophobicContact CG-CE1 4.19Å; F327-F360 WeakPolarHBondContact CE2-O 3.39Å; K351-F360 WeakPolarHBondContact CA-O 3.32Å; K351-F360 WeakPolarHBondContact CB-O 3.38Å; K351-F360 WeakPolarHBondContact CG-O 3.41Å; P352-F360 VanDerWaalsContact CD-O 3.32Å; P352-F360 WeakPolarHBondContact CD-O 3.49Å; P352-F360 HydrophobicContact CG-CB 4.49Å; L355-F360 HydrophobicContact CB-CB 4.12Å; L355-F360 HydrophobicContact CB-CD2 3.81Å; L355-F360 HydrophobicContact CB-CG 4.1Å; L355-F360 HydrophobicContact CD1-CB 4.05Å; L355-F360 HydrophobicContact CD1-CD1 4.16Å; L355-F360 HydrophobicContact CD1-CD2 4.27Å; L355-F360 HydrophobicContact CD1-CG 3.9Å; L355-F360 HydrophobicContact CD2-CD2 4.38Å; L355-F360 HydrophobicContact CD2-CE2 4.35Å; L355-F360 HydrophobicContact CG-CD2 4.39Å; L355-F360 HydrophobicContact CG-CG 4.49Å; K357-F360 WeakPolarHBondContact O-CD2 3.39Å; K357-F360 VanDerWaalsContact O-CE2 3.22Å; K357-F360 WeakPolarHBondContact O-CE2 3.32Å; G358-F360 PolarHBondContact O-N 3.06Å |
| 361 | A | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -98 | 146.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I321 F327 Y359 P383 | I321-A361 HydrophobicContact CD1-CB 4.47Å; I321-A361 HydrophobicContact CG1-CB 3.94Å; F327-A361 HydrophobicContact CD2-CB 4.38Å; F327-A361 HydrophobicContact CE2-CB 4.23Å; Y359-A361 PolarHBondContact O-N 2.98Å; A361-P383 HydrophobicContact CB-CG 4.31Å |
| 362 | R | 98.7 | Very high | 98 | Very high | 94 Ų | 94 | 47 Ų | 47 | 36% | 0.355 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -74.1 | 126.3 | 172.2 | -66.5 | 176.4 | 168.5 | -155 | -7.5 | 110.2 | K351 P352 T364 | K351-R362 PolarHBondContact O-NE 2.85Å; K351-R362 PolarHBondContact O-NH2 2.93Å; P352-R362 HydrophobicContact CG-CG 4.04Å; R362-T364 PolarHBondContact O-N 2.77Å; R362-T364 PolarHBondContact O-OG1 2.96Å |
| 363 | P | 98.7 | Very high | 98.1 | Very high | 9 Ų | 9 | 47.2 Ų | 47.2 | 6% | 0.058 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -54.6 | 126 | 167.3 | -25.2 | 34.9 | 0 | 0 | 0 | 109.2 | V272 F303 V306 V308 Y346 G347 P383 | V272-P363 HydrophobicContact CG1-CB 4.21Å; F303-P363 HydrophobicContact CD1-CB 3.7Å; F303-P363 HydrophobicContact CE1-CB 3.88Å; V306-P363 HydrophobicContact CB-CG 4.49Å; V306-P363 HydrophobicContact CG1-CG 3.97Å; V308-P363 HydrophobicContact CG2-CG 3.77Å; Y346-P363 WeakPolarHBondContact CD1-O 3.29Å; G347-P363 WeakPolarHBondContact CA-O 3.48Å; P363-P383 WeakPolarHBondContact CA-O 3.38Å |
| 364 | T | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 138.2 | -166.4 | -65.9 | 0 | 0 | 0 | 0 | 110.7 | I334 L344 Y346 G348 R362 F366 P383 V384 M385 | I334-T364 HydrophobicContact CG1-CG2 4.45Å; I334-T364 HydrophobicContact CG2-CG2 4.49Å; L344-T364 HydrophobicContact CD1-CG2 3.62Å; Y346-T364 WeakPolarHBondContact O-CA 3.33Å; G348-T364 PolarHBondContact N-OG1 2.95Å; R362-T364 PolarHBondContact O-N 2.77Å; R362-T364 PolarHBondContact O-OG1 2.96Å; T364-F366 HydrophobicContact CG2-CD2 4.11Å; T364-F366 HydrophobicContact CG2-CE2 3.75Å; T364-F366 HydrophobicContact CG2-CZ 4.35Å; T364-P383 PolarHBondContact N-O 2.82Å; T364-V384 HydrophobicContact CG2-CG1 4.29Å; T364-V384 WeakPolarHBondContact O-CA 3.35Å; T364-M385 PolarHBondContact O-N 3.22Å |
| 365 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 125.6 | 174.9 | -52.9 | 169.9 | 0 | 0 | 0 | 108.6 | L299 F303 F345 Y346 I367 V387 | L299-I365 HydrophobicContact CD2-CD1 3.93Å; L299-I365 HydrophobicContact CD2-CG2 4.15Å; L299-I365 HydrophobicContact CG-CD1 3.89Å; F303-I365 HydrophobicContact CB-CD1 4.04Å; F303-I365 HydrophobicContact CD1-CD1 3.93Å; F303-I365 HydrophobicContact CD1-CG1 3.74Å; F303-I365 HydrophobicContact CD2-CD1 3.6Å; F303-I365 HydrophobicContact CD2-CG1 4.06Å; F303-I365 HydrophobicContact CE1-CD1 4.26Å; F303-I365 HydrophobicContact CE1-CG1 3.66Å; F303-I365 HydrophobicContact CE2-CD1 3.94Å; F303-I365 HydrophobicContact CE2-CG1 3.99Å; F303-I365 HydrophobicContact CG-CD1 3.6Å; F303-I365 HydrophobicContact CG-CG1 3.94Å; F303-I365 HydrophobicContact CZ-CD1 4.26Å; F303-I365 HydrophobicContact CZ-CG1 3.8Å; F345-I365 HydrophobicContact CB-CB 4.36Å; F345-I365 HydrophobicContact CB-CG2 4.28Å; F345-I365 HydrophobicContact CD1-CB 4.3Å; F345-I365 HydrophobicContact CD1-CD1 4.16Å; F345-I365 HydrophobicContact CD1-CG2 4.07Å; F345-I365 PolarHBondContact N-O 2.98Å; Y346-I365 PolarHBondContact N-O 3.29Å; Y346-I365 PolarHBondContact O-N 2.76Å; I365-I367 HydrophobicContact CG2-CG2 4.02Å; I365-V387 HydrophobicContact CG2-CG2 3.93Å |
| 366 | F | 99 | Very high | 98.4 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 136.3 | 162.5 | -74 | -77.6 | 0 | 0 | 0 | 110.4 | I334 I338 A342 E343 L344 T364 V369 I375 V384 M385 V387 | I334-F366 HydrophobicContact CG2-CE2 4.28Å; I334-F366 HydrophobicContact CG2-CZ 4.02Å; I334-F366 VanDerWaalsContact O-CZ 3.29Å; I334-F366 WeakPolarHBondContact O-CZ 3.47Å; I338-F366 HydrophobicContact CG1-CE1 3.72Å; I338-F366 HydrophobicContact CG1-CZ 3.9Å; A342-F366 HydrophobicContact CB-CB 4.14Å; A342-F366 HydrophobicContact CB-CD1 3.6Å; A342-F366 HydrophobicContact CB-CE1 4.33Å; A342-F366 HydrophobicContact CB-CG 4.11Å; E343-F366 WeakPolarHBondContact O-CA 3.22Å; L344-F366 HydrophobicContact CB-CD1 4.43Å; L344-F366 HydrophobicContact CB-CE1 4Å; L344-F366 HydrophobicContact CD1-CD1 4.48Å; L344-F366 HydrophobicContact CD1-CE1 3.94Å; L344-F366 HydrophobicContact CD1-CE2 4.49Å; L344-F366 HydrophobicContact CD1-CZ 3.94Å; T364-F366 HydrophobicContact CG2-CD2 4.11Å; T364-F366 HydrophobicContact CG2-CE2 3.75Å; T364-F366 HydrophobicContact CG2-CZ 4.35Å; F366-V369 HydrophobicContact CB-CG2 3.64Å; F366-I375 HydrophobicContact CB-CD1 3.73Å; F366-I375 HydrophobicContact CD1-CD1 4.23Å; F366-I375 HydrophobicContact CD2-CD1 3.66Å; F366-I375 HydrophobicContact CE2-CD1 4.33Å; F366-I375 HydrophobicContact CG-CD1 3.6Å; F366-V384 HydrophobicContact CD2-CG1 3.95Å; F366-V384 HydrophobicContact CE2-CG1 4.08Å; F366-M385 PolarHBondContact N-O 2.74Å; F366-V387 PolarHBondContact O-N 3.01Å |
| 367 | I | 98.8 | Very high | 98.5 | Very high | 8 Ų | 8 | 31.2 Ų | 31.2 | 4% | 0.041 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 170.4 | 172.2 | 70.2 | 174.6 | 0 | 0 | 0 | 110.2 | L296 E343 F345 I365 V369 V387 | L296-I367 HydrophobicContact CD1-CB 4.46Å; L296-I367 HydrophobicContact CD1-CD1 3.9Å; L296-I367 HydrophobicContact CD1-CG2 4.04Å; L296-I367 HydrophobicContact CD2-CG2 3.55Å; L296-I367 HydrophobicContact CG-CG2 4.46Å; E343-I367 HydrophobicContact CB-CG1 3.79Å; E343-I367 HydrophobicContact CG-CD1 4.44Å; E343-I367 HydrophobicContact CG-CG1 4.07Å; E343-I367 PolarHBondContact N-O 3.48Å; E343-I367 PolarHBondContact O-N 3.41Å; F345-I367 HydrophobicContact CB-CB 4.45Å; F345-I367 HydrophobicContact CB-CD1 4.17Å; F345-I367 HydrophobicContact CB-CG1 4.06Å; F345-I367 HydrophobicContact CB-CG2 3.72Å; F345-I367 HydrophobicContact CD1-CG2 4.18Å; F345-I367 HydrophobicContact CD2-CD1 3.67Å; F345-I367 HydrophobicContact CD2-CG1 4.48Å; F345-I367 HydrophobicContact CD2-CG2 4.48Å; F345-I367 HydrophobicContact CE2-CD1 4.34Å; F345-I367 HydrophobicContact CG-CD1 4.1Å; F345-I367 HydrophobicContact CG-CG1 4.49Å; F345-I367 HydrophobicContact CG-CG2 3.9Å; I365-I367 HydrophobicContact CG2-CG2 4.02Å; I367-V369 PolarHBondContact O-N 3.46Å; I367-V387 HydrophobicContact CG2-CB 4.1Å; I367-V387 HydrophobicContact CG2-CG2 4.22Å |
| 368 | N | 96.1 | Very high | 98.6 | Very high | 73 Ų | 73 | 29.5 Ų | 29.5 | 39% | 0.39 | 14% | 0.142 | S | C | . | . | S | Bend | trans | 54.4 | 35.3 | -173.7 | -53.9 | -36.9 | 0 | 0 | 0 | 111.4 | K292 E343 D370 | K292-N368 PolarHBondContact NZ-OD1 3.43Å; E343-N368 PolarHBondContact OE2-ND2 2.96Å; N368-D370 PolarHBondContact O-N 2.88Å |
| 369 | V | 98.8 | Very high | 98.6 | Very high | 7 Ų | 7 | 31.2 Ų | 31.2 | 4% | 0.042 | 15% | 0.15 | C | C | . | . | trans | -77.2 | 122.8 | 179.6 | -179 | 0 | 0 | 0 | 0 | 108.5 | A342 F366 I367 M373 I375 A376 V387 I388 | A342-V369 HydrophobicContact CB-CG2 4.13Å; F366-V369 HydrophobicContact CB-CG2 3.64Å; I367-V369 PolarHBondContact O-N 3.46Å; V369-M373 HydrophobicContact CG1-CB 4.33Å; V369-M373 HydrophobicContact CG1-SD 4.03Å; V369-I375 HydrophobicContact CG1-CD1 4.3Å; V369-I375 HydrophobicContact CG1-CG1 4.23Å; V369-I375 HydrophobicContact CG2-CD1 4.05Å; V369-A376 HydrophobicContact CG1-CB 3.87Å; V369-V387 PolarHBondContact N-O 3.43Å; V369-I388 HydrophobicContact CB-CG1 4.08Å; V369-I388 HydrophobicContact CG1-CG1 4.26Å | ||
| 370 | D | 98.2 | Very high | 98.6 | Very high | 92 Ų | 92 | 29.9 Ų | 29.9 | 49% | 0.492 | 15% | 0.145 | S | C | . | . | trans | -77 | 138.4 | 166.3 | -176.8 | -80.1 | 0 | 0 | 0 | 109.3 | N368 Q372 M373 | N368-D370 PolarHBondContact O-N 2.88Å; D370-Q372 PolarHBondContact O-N 3.28Å; D370-Q372 VanDerWaalsContact O-N 3.09Å; D370-Q372 VanDerWaalsContact OD1-CB 3.29Å; D370-Q372 WeakPolarHBondContact OD1-CB 3.29Å; D370-Q372 PolarHBondContact OD1-N 3.31Å; D370-M373 HydrophobicContact CB-CE 4.01Å; D370-M373 HydrophobicContact CB-CG 4.12Å; D370-M373 HydrophobicContact CB-SD 4.34Å; D370-M373 WeakPolarHBondContact O-CB 3.22Å; D370-M373 WeakPolarHBondContact O-CG 3.37Å; D370-M373 PolarHBondContact O-N 3.34Å | ||
| 371 | N | 98.5 | Very high | 98.5 | Very high | 12 Ų | 12 | 31 Ų | 31 | 6% | 0.064 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -19.2 | -175.1 | -168 | 57.7 | 0 | 0 | 0 | 112.9 | R284 M373 A376 Q377 I388 I399 D402 | R284-N371 PolarHBondContact NH1-OD1 2.9Å; N371-M373 VanDerWaalsContact C-N 3.34Å; N371-A376 WeakPolarHBondContact O-CB 3.44Å; N371-Q377 PolarHBondContact ND2-NE2 2.91Å; N371-Q377 VanDerWaalsContact O-CG 3.25Å; N371-Q377 WeakPolarHBondContact O-CG 3.31Å; N371-Q377 PolarHBondContact O-NE2 3.26Å; N371-I388 HydrophobicContact CB-CD1 4.29Å; N371-I399 HydrophobicContact CB-CG2 4.05Å; N371-D402 PolarHBondContact ND2-O 3.05Å; N371-D402 PolarHBondContact ND2-OD2 3.27Å |
| 372 | Q | 98.2 | Very high | 98.5 | Very high | 126 Ų | 126 | 31 Ų | 31 | 59% | 0.589 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -7.6 | 176.4 | -57.5 | -55.4 | -52.2 | 0 | 0 | 113.8 | D370 D402 | D370-Q372 PolarHBondContact O-N 3.28Å; D370-Q372 VanDerWaalsContact O-N 3.09Å; D370-Q372 VanDerWaalsContact OD1-CB 3.29Å; D370-Q372 WeakPolarHBondContact OD1-CB 3.29Å; D370-Q372 PolarHBondContact OD1-N 3.31Å; Q372-D402 PolarHBondContact NE2-OD2 3.32Å |
| 373 | M | 98.8 | Very high | 98.5 | Very high | 29 Ų | 29 | 26.6 Ų | 26.6 | 14% | 0.143 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -64 | 149.2 | 175 | -68.3 | 177.2 | 177.2 | 0 | 0 | 111.4 | E340 A342 V369 D370 N371 I375 A376 Q377 | E340-M373 HydrophobicContact CB-CG 4.36Å; E340-M373 VanDerWaalsContact O-CE 3.31Å; E340-M373 WeakPolarHBondContact O-CE 3.46Å; E340-M373 WeakPolarHBondContact OE2-CA 3.47Å; A342-M373 HydrophobicContact CB-SD 3.82Å; V369-M373 HydrophobicContact CG1-CB 4.33Å; V369-M373 HydrophobicContact CG1-SD 4.03Å; D370-M373 HydrophobicContact CB-CE 4.01Å; D370-M373 HydrophobicContact CB-CG 4.12Å; D370-M373 HydrophobicContact CB-SD 4.34Å; D370-M373 WeakPolarHBondContact O-CB 3.22Å; D370-M373 WeakPolarHBondContact O-CG 3.37Å; D370-M373 PolarHBondContact O-N 3.34Å; N371-M373 VanDerWaalsContact C-N 3.34Å; M373-I375 VanDerWaalsContact C-N 3.26Å; M373-I375 HydrophobicContact CB-CG1 4.24Å; M373-I375 PolarHBondContact O-N 2.83Å; M373-A376 WeakPolarHBondContact O-CA 3.45Å; M373-A376 WeakPolarHBondContact O-CB 3.36Å; M373-A376 PolarHBondContact O-N 2.95Å; M373-Q377 PolarHBondContact O-N 3.29Å |
| 374 | T | 98.8 | Very high | 98.5 | Very high | 28 Ų | 28 | 26.2 Ų | 26.2 | 17% | 0.172 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -54.9 | -43.2 | 179.3 | -62.8 | 0 | 0 | 0 | 0 | 111.2 | Y333 K336 E340 A376 Q377 E378 | Y333-T374 HydrophobicContact CD1-CG2 3.98Å; Y333-T374 HydrophobicContact CE1-CG2 3.65Å; K336-T374 HydrophobicContact CG-CG2 4.06Å; E340-T374 WeakPolarHBondContact OE1-CB 3.26Å; E340-T374 PolarHBondContact OE1-OG1 3.43Å; E340-T374 WeakPolarHBondContact OE2-CB 3.16Å; E340-T374 PolarHBondContact OE2-N 3.32Å; E340-T374 PolarHBondContact OE2-OG1 3.02Å; T374-A376 PolarHBondContact O-N 3.07Å; T374-Q377 PolarHBondContact O-N 3.42Å; T374-E378 HydrophobicContact CG2-CB 4.38Å; T374-E378 HydrophobicContact CG2-CG 4.15Å; T374-E378 WeakPolarHBondContact O-CB 3.48Å; T374-E378 PolarHBondContact O-N 2.84Å |
| 375 | I | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -69.6 | -13.3 | 179.6 | 61 | 163.9 | 0 | 0 | 0 | 114 | K249 Y333 A342 F366 V369 M373 I380 S386 | K249-I375 WeakPolarHBondContact CE-O 3.49Å; K249-I375 PolarHBondContact NZ-O 3.25Å; Y333-I375 WeakPolarHBondContact O-CG2 3.22Å; A342-I375 HydrophobicContact CB-CD1 3.79Å; F366-I375 HydrophobicContact CB-CD1 3.73Å; F366-I375 HydrophobicContact CD1-CD1 4.23Å; F366-I375 HydrophobicContact CD2-CD1 3.66Å; F366-I375 HydrophobicContact CE2-CD1 4.33Å; F366-I375 HydrophobicContact CG-CD1 3.6Å; V369-I375 HydrophobicContact CG1-CD1 4.3Å; V369-I375 HydrophobicContact CG1-CG1 4.23Å; V369-I375 HydrophobicContact CG2-CD1 4.05Å; M373-I375 VanDerWaalsContact C-N 3.26Å; M373-I375 HydrophobicContact CB-CG1 4.24Å; M373-I375 PolarHBondContact O-N 2.83Å; I375-I380 HydrophobicContact CB-CD1 4.12Å; I375-I380 HydrophobicContact CG2-CD1 4.17Å; I375-S386 PolarHBondContact O-OG 3.27Å |
| 376 | A | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -93.1 | -35.5 | 170 | 0 | 0 | 0 | 0 | 0 | 111.5 | K249 R284 V369 N371 M373 T374 I388 | K249-A376 VanDerWaalsContact CE-O 3.26Å; K249-A376 WeakPolarHBondContact CE-O 3.39Å; K249-A376 WeakPolarHBondContact CG-O 3.22Å; R284-A376 WeakPolarHBondContact CD-O 3.32Å; V369-A376 HydrophobicContact CG1-CB 3.87Å; N371-A376 WeakPolarHBondContact O-CB 3.44Å; M373-A376 WeakPolarHBondContact O-CA 3.45Å; M373-A376 WeakPolarHBondContact O-CB 3.36Å; M373-A376 PolarHBondContact O-N 2.95Å; T374-A376 PolarHBondContact O-N 3.07Å; A376-I388 HydrophobicContact CB-CD1 4.21Å |
| 377 | Q | 98.6 | Very high | 98.5 | Very high | 35 Ų | 35 | 26.3 Ų | 26.3 | 16% | 0.164 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -90 | -24.8 | -174.3 | -71 | -60.2 | -45.3 | 0 | 0 | 115.1 | N371 M373 T374 D402 Y405 | N371-Q377 PolarHBondContact ND2-NE2 2.91Å; N371-Q377 VanDerWaalsContact O-CG 3.25Å; N371-Q377 WeakPolarHBondContact O-CG 3.31Å; N371-Q377 PolarHBondContact O-NE2 3.26Å; M373-Q377 PolarHBondContact O-N 3.29Å; T374-Q377 PolarHBondContact O-N 3.42Å; Q377-D402 PolarHBondContact NE2-O 3.36Å; Q377-Y405 WeakPolarHBondContact O-CE2 3.41Å |
| 378 | E | 98.6 | Very high | 98.6 | Very high | 69 Ų | 69 | 26.2 Ų | 26.2 | 32% | 0.322 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -112 | 146.9 | -173.9 | -60.1 | -166.3 | 170 | 0 | 0 | 113.6 | K249 Y333 T374 I380 | K249-E378 VanDerWaalsContact CD-O 3.23Å; K249-E378 WeakPolarHBondContact CD-O 3.3Å; K249-E378 WeakPolarHBondContact CE-O 3.47Å; K249-E378 PolarHBondContact NZ-O 2.9Å; Y333-E378 HydrophobicContact CE1-CB 3.87Å; Y333-E378 VanDerWaalsContact CE1-OE2 3.29Å; Y333-E378 WeakPolarHBondContact CE1-OE2 3.45Å; Y333-E378 PolarHBondContact OH-OE2 2.87Å; T374-E378 HydrophobicContact CG2-CB 4.38Å; T374-E378 HydrophobicContact CG2-CG 4.15Å; T374-E378 WeakPolarHBondContact O-CB 3.48Å; T374-E378 PolarHBondContact O-N 2.84Å; E378-I380 PolarHBondContact O-N 2.75Å |
| 379 | E | 98.5 | Very high | 98.7 | Very high | 37 Ų | 37 | 25 Ų | 25 | 17% | 0.173 | 13% | 0.126 | C | C | . | . | trans | -70.8 | 117.1 | 173.6 | -173.6 | 176.1 | -124.8 | 0 | 0 | 110.4 | G247 G248 F381 | G247-E379 VanDerWaalsContact CA-OE1 3.23Å; G247-E379 WeakPolarHBondContact CA-OE1 3Å; G247-E379 WeakPolarHBondContact CA-OE2 3.38Å; G248-E379 PolarHBondContact N-OE1 3.12Å; G248-E379 VanDerWaalsContact O-CB 3.31Å; G248-E379 WeakPolarHBondContact O-CB 3.4Å; G248-E379 WeakPolarHBondContact O-CG 2.86Å; E379-F381 HydrophobicContact CG-CB 4.24Å; E379-F381 HydrophobicContact CG-CD2 3.99Å | ||
| 380 | I | 98.6 | Very high | 98.7 | Very high | 4 Ų | 4 | 25.1 Ų | 25.1 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | trans | -86.3 | -40.4 | 179.3 | -59.1 | 173.3 | 0 | 0 | 0 | 110.4 | Q326 V330 Y333 I375 E378 V384 | Q326-I380 PolarHBondContact NE2-O 2.87Å; V330-I380 HydrophobicContact CG1-CG2 4.36Å; V330-I380 HydrophobicContact CG2-CG2 4.26Å; Y333-I380 HydrophobicContact CD1-CG1 4.09Å; Y333-I380 HydrophobicContact CD2-CB 4.23Å; Y333-I380 HydrophobicContact CD2-CG1 4.17Å; Y333-I380 HydrophobicContact CD2-CG2 3.99Å; Y333-I380 HydrophobicContact CG-CB 4.32Å; Y333-I380 HydrophobicContact CG-CG1 3.81Å; Y333-I380 HydrophobicContact CG-CG2 4.11Å; I375-I380 HydrophobicContact CB-CD1 4.12Å; I375-I380 HydrophobicContact CG2-CD1 4.17Å; E378-I380 PolarHBondContact O-N 2.75Å; I380-V384 HydrophobicContact CD1-CB 3.95Å; I380-V384 HydrophobicContact CD1-CG1 3.85Å; I380-V384 HydrophobicContact CG2-CB 4.36Å; I380-V384 HydrophobicContact CG2-CG2 4.09Å | ||
| 381 | F | 98.4 | Very high | 98.7 | Very high | 28 Ų | 28 | 26.5 Ų | 26.5 | 12% | 0.123 | 13% | 0.133 | C | C | . | . | trans | 61 | 51.9 | -179.3 | -142.7 | -109.1 | 0 | 0 | 0 | 113.1 | W146 N147 Q277 C279 Q326 E379 | W146-F381 AromaticContact CH2-CD1 3.44Å; W146-F381 HydrophobicContact CH2-CD1 3.44Å; W146-F381 VanDerWaalsContact CH2-CD1 3.44Å; W146-F381 AromaticContact CH2-CE1 3.24Å; W146-F381 HydrophobicContact CH2-CE1 3.24Å; W146-F381 AromaticContact CZ2-CD1 3.62Å; W146-F381 HydrophobicContact CZ2-CD1 3.62Å; W146-F381 AromaticContact CZ2-CE1 3.41Å; W146-F381 HydrophobicContact CZ2-CE1 3.41Å; W146-F381 VanDerWaalsContact CZ2-CE1 3.41Å; W146-F381 HydrophobicContact CZ3-CD1 4.49Å; W146-F381 AromaticContact CZ3-CE1 3.99Å; W146-F381 HydrophobicContact CZ3-CE1 3.99Å; N147-F381 HydrophobicContact CB-CE1 3.86Å; N147-F381 HydrophobicContact CB-CZ 3.93Å; N147-F381 VanDerWaalsContact ND2-CZ 3.31Å; N147-F381 WeakPolarHBondContact ND2-CZ 3.42Å; Q277-F381 HydrophobicContact CB-CD1 3.94Å; Q277-F381 HydrophobicContact CB-CE1 3.85Å; Q277-F381 HydrophobicContact CG-CD1 4.24Å; C279-F381 HydrophobicContact CB-CE2 4.34Å; Q326-F381 PolarHBondContact NE2-O 2.86Å; E379-F381 HydrophobicContact CG-CB 4.24Å; E379-F381 HydrophobicContact CG-CD2 3.99Å | ||
| 382 | G | 98.7 | Very high | 98.7 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -163.3 | 176.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | T275 G276 V384 | T275-G382 CarbonylContact O-C 3.54Å; T275-G382 WeakPolarHBondContact O-CA 3.22Å; G276-G382 PolarHBondContact O-N 3.35Å; G382-V384 PolarHBondContact O-N 2.99Å |
| 383 | P | 98.6 | Very high | 98.7 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -82 | 61.3 | -169.5 | 35.2 | -35.2 | 0 | 0 | 0 | 111.8 | V272 T275 A361 P363 T364 | V272-P383 HydrophobicContact CG1-CB 4.47Å; T275-P383 HydrophobicContact CG2-CG 4.45Å; T275-P383 VanDerWaalsContact O-CD 3.26Å; T275-P383 WeakPolarHBondContact O-CD 3.43Å; A361-P383 HydrophobicContact CB-CG 4.31Å; P363-P383 WeakPolarHBondContact CA-O 3.38Å; T364-P383 PolarHBondContact N-O 2.82Å |
| 384 | V | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 121 | -176.9 | -173.6 | 0 | 0 | 0 | 0 | 109.8 | T283 V330 I334 T364 F366 I380 G382 | T283-V384 WeakPolarHBondContact CG2-O 3.21Å; V330-V384 HydrophobicContact CG1-CG2 4.11Å; I334-V384 HydrophobicContact CD1-CG2 4.05Å; I334-V384 HydrophobicContact CG1-CG2 3.86Å; T364-V384 HydrophobicContact CG2-CG1 4.29Å; T364-V384 WeakPolarHBondContact O-CA 3.35Å; F366-V384 HydrophobicContact CD2-CG1 3.95Å; F366-V384 HydrophobicContact CE2-CG1 4.08Å; I380-V384 HydrophobicContact CD1-CB 3.95Å; I380-V384 HydrophobicContact CD1-CG1 3.85Å; I380-V384 HydrophobicContact CG2-CB 4.36Å; I380-V384 HydrophobicContact CG2-CG2 4.09Å; G382-V384 PolarHBondContact O-N 2.99Å |
| 385 | M | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 134.4 | 177.8 | -175 | 178.4 | -75.9 | 0 | 0 | 110.7 | T267 V271 V285 L299 F303 T364 F366 V387 | T267-M385 VanDerWaalsContact O-CE 3.29Å; T267-M385 WeakPolarHBondContact O-CE 3.43Å; V271-M385 HydrophobicContact CB-CE 4.04Å; V271-M385 HydrophobicContact CG1-CB 4.14Å; V271-M385 HydrophobicContact CG2-CB 4.11Å; V271-M385 HydrophobicContact CG2-CE 3.47Å; V271-M385 VanDerWaalsContact CG2-CE 3.47Å; V271-M385 HydrophobicContact CG2-CG 4.22Å; V285-M385 HydrophobicContact CB-CG 4.41Å; V285-M385 HydrophobicContact CB-SD 4.31Å; V285-M385 HydrophobicContact CG2-CE 3.76Å; V285-M385 HydrophobicContact CG2-CG 3.81Å; V285-M385 HydrophobicContact CG2-SD 3.67Å; L299-M385 HydrophobicContact CD1-CE 4.04Å; L299-M385 HydrophobicContact CD1-SD 3.94Å; L299-M385 HydrophobicContact CD2-SD 3.66Å; L299-M385 HydrophobicContact CG-SD 4.33Å; F303-M385 HydrophobicContact CE2-CE 3.69Å; F303-M385 HydrophobicContact CE2-SD 4.2Å; F303-M385 HydrophobicContact CZ-CB 4.18Å; F303-M385 HydrophobicContact CZ-CE 3.81Å; F303-M385 HydrophobicContact CZ-SD 4.31Å; T364-M385 PolarHBondContact O-N 3.22Å; F366-M385 PolarHBondContact N-O 2.74Å; M385-V387 HydrophobicContact CG-CG2 4.12Å; M385-V387 HydrophobicContact SD-CG2 3.99Å |
| 386 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 115.5 | 169.1 | -63.4 | 0 | 0 | 0 | 0 | 108.9 | T283 V285 I375 | T283-S386 PolarHBondContact O-N 3.38Å; V285-S386 PolarHBondContact N-O 2.63Å; I375-S386 PolarHBondContact O-OG 3.27Å |
| 387 | V | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.012 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 120 | 177 | -176 | 0 | 0 | 0 | 0 | 109.9 | V285 V287 L296 L299 I365 F366 I367 V369 M385 | V285-V387 WeakPolarHBondContact O-CA 3.3Å; V287-V387 HydrophobicContact CG1-CG1 3.64Å; L296-V387 HydrophobicContact CD2-CG1 4.2Å; L296-V387 HydrophobicContact CD2-CG2 4.34Å; L299-V387 HydrophobicContact CD2-CG2 4.07Å; I365-V387 HydrophobicContact CG2-CG2 3.93Å; F366-V387 PolarHBondContact O-N 3.01Å; I367-V387 HydrophobicContact CG2-CB 4.1Å; I367-V387 HydrophobicContact CG2-CG2 4.22Å; V369-V387 PolarHBondContact N-O 3.43Å; M385-V387 HydrophobicContact CG-CG2 4.12Å; M385-V387 HydrophobicContact SD-CG2 3.99Å |
| 388 | I | 98.9 | Very high | 98.7 | Very high | 7 Ų | 7 | 36.8 Ų | 36.8 | 4% | 0.036 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 134.2 | -179.7 | -53.6 | 172.8 | 0 | 0 | 0 | 107.9 | R284 V285 L286 V287 V369 N371 A376 I399 | R284-I388 HydrophobicContact CG-CD1 4.34Å; V285-I388 PolarHBondContact O-N 3.1Å; L286-I388 CarbonylContact C-O 3.57Å; L286-I388 VanDerWaalsContact CA-O 3.28Å; L286-I388 WeakPolarHBondContact CA-O 3.26Å; V287-I388 PolarHBondContact N-O 2.97Å; V369-I388 HydrophobicContact CB-CG1 4.08Å; V369-I388 HydrophobicContact CG1-CG1 4.26Å; N371-I388 HydrophobicContact CB-CD1 4.29Å; A376-I388 HydrophobicContact CB-CD1 4.21Å; I388-I399 HydrophobicContact CD1-CG2 4.31Å; I388-I399 HydrophobicContact CG2-CD1 4.28Å; I388-I399 HydrophobicContact CG2-CG2 4.08Å |
| 389 | T | 98.7 | Very high | 98.7 | Very high | 46 Ų | 46 | 34.7 Ų | 34.7 | 28% | 0.282 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 149.7 | 178.4 | 52.9 | 0 | 0 | 0 | 0 | 112 | V287 K292 | V287-T389 HydrophobicContact CG1-CG2 4.04Å; V287-T389 CarbonylContact O-C 3.58Å; V287-T389 WeakPolarHBondContact O-CA 3.39Å; K292-T389 HydrophobicContact CB-CG2 4.41Å; K292-T389 HydrophobicContact CD-CG2 3.84Å; K292-T389 HydrophobicContact CG-CG2 3.96Å |
| 390 | Y | 98.7 | Very high | 98.7 | Very high | 11 Ų | 11 | 33 Ų | 33 | 4% | 0.043 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 161.5 | 171.2 | 69.7 | -96.6 | 0 | 0 | 0 | 111.5 | I253 V254 L286 V287 P288 N289 D392 A396 | I253-Y390 HydrophobicContact CG2-CE1 4.46Å; V254-Y390 PolarHBondContact O-OH 2.78Å; L286-Y390 HydrophobicContact CB-CD1 4.05Å; L286-Y390 HydrophobicContact CB-CE1 4.28Å; V287-Y390 VanDerWaalsContact C-CE1 3.48Å; V287-Y390 WeakPolarHBondContact O-CD1 3.26Å; V287-Y390 PolarHBondContact O-N 3.27Å; P288-Y390 WeakPolarHBondContact CA-O 3.36Å; P288-Y390 HydrophobicContact CB-CE2 4.21Å; P288-Y390 HydrophobicContact CG-CE1 4.11Å; P288-Y390 HydrophobicContact CG-CE2 4.17Å; P288-Y390 WeakPolarHBondContact CG-OH 3.35Å; N289-Y390 PolarHBondContact N-O 3.49Å; Y390-D392 WeakPolarHBondContact CD2-O 3.37Å; Y390-A396 HydrophobicContact CD1-CB 3.74Å; Y390-A396 HydrophobicContact CD2-CB 3.73Å; Y390-A396 HydrophobicContact CE1-CB 3.87Å; Y390-A396 HydrophobicContact CE2-CB 3.85Å; Y390-A396 HydrophobicContact CG-CB 3.63Å |
| 391 | N | 98.4 | Very high | 98.7 | Very high | 120 Ų | 120 | 34.2 Ų | 34.2 | 64% | 0.642 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -103 | -35.4 | -177.8 | -58.3 | -70.1 | 0 | 0 | 0 | 112.7 | E395 | N391-E395 WeakPolarHBondContact CA-OE2 3.35Å; N391-E395 VanDerWaalsContact CB-OE2 3.29Å; N391-E395 WeakPolarHBondContact CB-OE2 3.22Å; N391-E395 PolarHBondContact N-OE2 3.26Å; N391-E395 PolarHBondContact ND2-OE2 3.22Å |
| 392 | D | 98.4 | Very high | 98.7 | Very high | 88 Ų | 88 | 36.3 Ų | 36.3 | 47% | 0.471 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -141.1 | 169.3 | 175.9 | 67.4 | 62.5 | 0 | 0 | 0 | 112.9 | Y390 D394 E395 A396 | Y390-D392 WeakPolarHBondContact CD2-O 3.37Å; D392-D394 VanDerWaalsContact C-N 3.32Å; D392-D394 PolarHBondContact O-N 3.39Å; D392-D394 PolarHBondContact OD1-N 3.36Å; D392-E395 PolarHBondContact O-N 2.86Å; D392-E395 PolarHBondContact OD1-N 2.99Å; D392-A396 PolarHBondContact O-N 3.03Å |
| 393 | L | 98.1 | Very high | 98.7 | Very high | 36 Ų | 36 | 37 Ų | 37 | 19% | 0.188 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.7 | -33.8 | -173.9 | -168.9 | 66.1 | 0 | 0 | 0 | 113.2 | L255 A396 I397 T418 K421 V422 | L255-L393 HydrophobicContact CD2-CD1 3.73Å; L393-A396 PolarHBondContact O-N 3.05Å; L393-I397 HydrophobicContact CG-CD1 4.18Å; L393-I397 WeakPolarHBondContact O-CG1 3.04Å; L393-I397 PolarHBondContact O-N 2.61Å; L393-T418 HydrophobicContact CD1-CG2 4.14Å; L393-T418 HydrophobicContact CD2-CG2 3.74Å; L393-K421 HydrophobicContact CD2-CD 3.89Å; L393-V422 HydrophobicContact CD1-CG2 3.45Å; L393-V422 VanDerWaalsContact CD1-CG2 3.45Å; L393-V422 HydrophobicContact CD2-CG2 4.24Å; L393-V422 HydrophobicContact CG-CG2 4.12Å |
| 394 | D | 98.6 | Very high | 98.7 | Very high | 99 Ų | 99 | 40.7 Ų | 40.7 | 53% | 0.529 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -72.6 | -38 | -178.3 | -67.3 | -15.8 | 0 | 0 | 0 | 109.4 | D392 I397 Q398 K421 | D392-D394 VanDerWaalsContact C-N 3.32Å; D392-D394 PolarHBondContact O-N 3.39Å; D392-D394 PolarHBondContact OD1-N 3.36Å; D394-I397 PolarHBondContact O-N 2.81Å; D394-Q398 WeakPolarHBondContact O-CB 3.38Å; D394-Q398 PolarHBondContact O-N 2.91Å; D394-K421 IonicContact OD1-NZ 2.63Å; D394-K421 PolarHBondContact OD1-NZ 2.84Å |
| 395 | E | 98.7 | Very high | 98.6 | Very high | 62 Ų | 62 | 42.2 Ų | 42.2 | 29% | 0.29 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.2 | -45.1 | 168.6 | -176.4 | 179.6 | -154.4 | 0 | 0 | 111.8 | N391 D392 I397 Q398 I399 | N391-E395 WeakPolarHBondContact CA-OE2 3.35Å; N391-E395 VanDerWaalsContact CB-OE2 3.29Å; N391-E395 WeakPolarHBondContact CB-OE2 3.22Å; N391-E395 PolarHBondContact N-OE2 3.26Å; N391-E395 PolarHBondContact ND2-OE2 3.22Å; D392-E395 PolarHBondContact O-N 2.86Å; D392-E395 PolarHBondContact OD1-N 2.99Å; E395-I397 VanDerWaalsContact C-N 3.33Å; E395-I397 PolarHBondContact O-N 3.31Å; E395-Q398 PolarHBondContact O-N 3.46Å; E395-I399 HydrophobicContact CG-CD1 3.85Å; E395-I399 HydrophobicContact CG-CG1 4.41Å; E395-I399 WeakPolarHBondContact O-CG1 3.21Å; E395-I399 PolarHBondContact O-N 2.68Å |
| 396 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.3 | -44.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I253 L286 Y390 D392 L393 A400 | I253-A396 HydrophobicContact CG2-CB 4.37Å; L286-A396 WeakPolarHBondContact CD2-O 3.43Å; Y390-A396 HydrophobicContact CD1-CB 3.74Å; Y390-A396 HydrophobicContact CD2-CB 3.73Å; Y390-A396 HydrophobicContact CE1-CB 3.87Å; Y390-A396 HydrophobicContact CE2-CB 3.85Å; Y390-A396 HydrophobicContact CG-CB 3.63Å; D392-A396 PolarHBondContact O-N 3.03Å; L393-A396 PolarHBondContact O-N 3.05Å; A396-A400 VanDerWaalsContact O-CB 3.24Å; A396-A400 WeakPolarHBondContact O-CB 3.29Å; A396-A400 PolarHBondContact O-N 2.89Å |
| 397 | I | 98.8 | Very high | 98.6 | Very high | 18 Ų | 18 | 42.4 Ų | 42.4 | 9% | 0.092 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.2 | -42.4 | 177.1 | -71.1 | 164.5 | 0 | 0 | 0 | 110.6 | L393 D394 E395 A400 N401 V422 | L393-I397 HydrophobicContact CG-CD1 4.18Å; L393-I397 WeakPolarHBondContact O-CG1 3.04Å; L393-I397 PolarHBondContact O-N 2.61Å; D394-I397 PolarHBondContact O-N 2.81Å; E395-I397 VanDerWaalsContact C-N 3.33Å; E395-I397 PolarHBondContact O-N 3.31Å; I397-A400 PolarHBondContact O-N 3.18Å; I397-N401 WeakPolarHBondContact O-CB 3.48Å; I397-N401 PolarHBondContact O-N 2.86Å; I397-V422 HydrophobicContact CD1-CG2 4.45Å |
| 398 | Q | 98.8 | Very high | 98.6 | Very high | 144 Ų | 144 | 42.4 Ų | 42.4 | 67% | 0.673 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -59.5 | -49.9 | 177.2 | -177.5 | -179.9 | -14.3 | 0 | 0 | 111.2 | D394 E395 A400 N401 D402 | D394-Q398 WeakPolarHBondContact O-CB 3.38Å; D394-Q398 PolarHBondContact O-N 2.91Å; E395-Q398 PolarHBondContact O-N 3.46Å; Q398-A400 VanDerWaalsContact C-N 3.35Å; Q398-A400 PolarHBondContact O-N 3.04Å; Q398-N401 PolarHBondContact O-N 3.23Å; Q398-D402 WeakPolarHBondContact O-CB 3.32Å; Q398-D402 PolarHBondContact O-N 2.85Å |
| 399 | I | 98.8 | Very high | 98.6 | Very high | 24 Ų | 24 | 42.1 Ų | 42.1 | 12% | 0.123 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.9 | -42.6 | 178.5 | -64.8 | 169.9 | 0 | 0 | 0 | 110.9 | R284 L286 N371 I388 E395 N401 D402 | R284-I399 PolarHBondContact NH1-O 2.86Å; R284-I399 VanDerWaalsContact NH1-O 3.14Å; L286-I399 HydrophobicContact CD2-CB 3.82Å; L286-I399 HydrophobicContact CD2-CG2 3.72Å; L286-I399 HydrophobicContact CG-CG2 4.17Å; N371-I399 HydrophobicContact CB-CG2 4.05Å; I388-I399 HydrophobicContact CD1-CG2 4.31Å; I388-I399 HydrophobicContact CG2-CD1 4.28Å; I388-I399 HydrophobicContact CG2-CG2 4.08Å; E395-I399 HydrophobicContact CG-CD1 3.85Å; E395-I399 HydrophobicContact CG-CG1 4.41Å; E395-I399 WeakPolarHBondContact O-CG1 3.21Å; E395-I399 PolarHBondContact O-N 2.68Å; I399-N401 VanDerWaalsContact C-N 3.27Å; I399-N401 PolarHBondContact O-N 2.94Å; I399-D402 PolarHBondContact O-N 3.5Å |
| 400 | A | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 2% | 0.017 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.9 | -42.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | P251 I253 R284 L286 A396 I397 Q398 | P251-A400 HydrophobicContact CB-CB 3.65Å; P251-A400 HydrophobicContact CG-CB 3.77Å; I253-A400 HydrophobicContact CD1-CB 3.83Å; I253-A400 HydrophobicContact CG1-CB 4.34Å; R284-A400 PolarHBondContact NH2-O 2.89Å; L286-A400 HydrophobicContact CD2-CB 4.09Å; A396-A400 VanDerWaalsContact O-CB 3.24Å; A396-A400 WeakPolarHBondContact O-CB 3.29Å; A396-A400 PolarHBondContact O-N 2.89Å; I397-A400 PolarHBondContact O-N 3.18Å; Q398-A400 VanDerWaalsContact C-N 3.35Å; Q398-A400 PolarHBondContact O-N 3.04Å |
| 401 | N | 98.8 | Very high | 98.6 | Very high | 29 Ų | 29 | 39.6 Ų | 39.6 | 16% | 0.155 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -84.5 | -18.2 | -178.4 | -68.8 | -17.1 | 0 | 0 | 0 | 114.2 | I397 Q398 I399 T403 S425 I426 E427 K448 | I397-N401 WeakPolarHBondContact O-CB 3.48Å; I397-N401 PolarHBondContact O-N 2.86Å; Q398-N401 PolarHBondContact O-N 3.23Å; I399-N401 VanDerWaalsContact C-N 3.27Å; I399-N401 PolarHBondContact O-N 2.94Å; N401-T403 PolarHBondContact O-N 2.62Å; N401-S425 PolarHBondContact ND2-O 3.17Å; N401-I426 WeakPolarHBondContact OD1-CA 3.45Å; N401-E427 PolarHBondContact OD1-N 2.96Å; N401-K448 PolarHBondContact O-NZ 2.92Å |
| 402 | D | 98.6 | Very high | 98.6 | Very high | 72 Ų | 72 | 34.4 Ų | 34.4 | 39% | 0.385 | 17% | 0.172 | S | C | . | . | trans | -74.1 | 69.5 | 174.8 | -176.1 | 36.4 | 0 | 0 | 0 | 111.2 | R284 N371 Q372 Q377 Q398 I399 | R284-D402 PolarHBondContact NH1-O 2.94Å; N371-D402 PolarHBondContact ND2-O 3.05Å; N371-D402 PolarHBondContact ND2-OD2 3.27Å; Q372-D402 PolarHBondContact NE2-OD2 3.32Å; Q377-D402 PolarHBondContact NE2-O 3.36Å; Q398-D402 WeakPolarHBondContact O-CB 3.32Å; Q398-D402 PolarHBondContact O-N 2.85Å; I399-D402 PolarHBondContact O-N 3.5Å | ||
| 403 | T | 98.3 | Very high | 98.6 | Very high | 17 Ų | 17 | 30.5 Ų | 30.5 | 10% | 0.104 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -156.4 | 152.8 | 173.8 | -178.3 | 0 | 0 | 0 | 0 | 109.2 | N401 Y405 | N401-T403 PolarHBondContact O-N 2.62Å; T403-Y405 VanDerWaalsContact CG2-O 3.26Å; T403-Y405 WeakPolarHBondContact CG2-O 3.43Å; T403-Y405 PolarHBondContact O-N 3.42Å; T403-Y405 PolarHBondContact OG1-N 3.32Å |
| 404 | K | 97.8 | Very high | 98.7 | Very high | 76 Ų | 76 | 35.1 Ų | 35.1 | 33% | 0.33 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -71.9 | -16.3 | 172 | 71.3 | -165.7 | -174.1 | -177.4 | 0 | 113.4 | K448 Q449 | K404-K448 WeakPolarHBondContact O-CB 3.4Å; K404-Q449 HydrophobicContact CB-CB 4.42Å; K404-Q449 HydrophobicContact CB-CG 4.11Å; K404-Q449 HydrophobicContact CG-CB 4.37Å; K404-Q449 HydrophobicContact CG-CG 4.46Å; K404-Q449 VanDerWaalsContact O-CB 3.31Å; K404-Q449 WeakPolarHBondContact O-CB 3.1Å; K404-Q449 PolarHBondContact O-N 3.03Å |
| 405 | Y | 98.6 | Very high | 98.6 | Very high | 34 Ų | 34 | 33.8 Ų | 33.8 | 13% | 0.133 | 16% | 0.164 | C | C | . | . | B | Isolated β-bridge | trans | -90.1 | 153.2 | -177.2 | -62.2 | -71.6 | 0 | 0 | 0 | 112 | G247 K249 Q377 T403 S450 | G247-Y405 VanDerWaalsContact O-CD1 3.23Å; G247-Y405 WeakPolarHBondContact O-CD1 3.35Å; K249-Y405 HydrophobicContact CB-CD2 3.47Å; K249-Y405 VanDerWaalsContact CB-CD2 3.47Å; K249-Y405 HydrophobicContact CB-CE2 4Å; K249-Y405 HydrophobicContact CB-CG 4.24Å; Q377-Y405 WeakPolarHBondContact O-CE2 3.41Å; T403-Y405 VanDerWaalsContact CG2-O 3.26Å; T403-Y405 WeakPolarHBondContact CG2-O 3.43Å; T403-Y405 PolarHBondContact O-N 3.42Å; T403-Y405 PolarHBondContact OG1-N 3.32Å; Y405-S450 WeakPolarHBondContact CB-OG 3.44Å |
| 406 | G | 98.4 | Very high | 98.6 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | trans | -148.8 | 32.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A428 G429 G446 Y447 S450 | G406-A428 WeakPolarHBondContact O-CA 3.24Å; G406-G429 PolarHBondContact O-N 3.16Å; G406-G446 WeakPolarHBondContact O-CA 3.07Å; G406-Y447 WeakPolarHBondContact CA-O 3.11Å; G406-Y447 PolarHBondContact N-O 2.79Å; G406-Y447 VanDerWaalsContact O-CD1 3.23Å; G406-Y447 WeakPolarHBondContact O-CD1 3.23Å; G406-Y447 PolarHBondContact O-N 3.43Å; G406-S450 PolarHBondContact N-OG 2.84Å | ||
| 407 | L | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -74.9 | -67.9 | -177.6 | -174.9 | 59.8 | 0 | 0 | 0 | 111.5 | E245 C279 T280 G429 T430 F444 S450 | E245-L407 WeakPolarHBondContact OE2-CD1 3.44Å; C279-L407 HydrophobicContact CB-CD2 3.57Å; T280-L407 HydrophobicContact CG2-CD2 3.64Å; T280-L407 HydrophobicContact CG2-CG 3.92Å; L407-G429 PolarHBondContact O-N 3.23Å; L407-T430 PolarHBondContact O-N 3.49Å; L407-F444 HydrophobicContact CD1-CZ 4.2Å; L407-S450 VanDerWaalsContact N-CB 3.32Å; L407-S450 PolarHBondContact N-OG 3.28Å; L407-S450 VanDerWaalsContact N-OG 3.1Å |
| 408 | A | 98.7 | Very high | 98.6 | Very high | 3 Ų | 3 | 46.3 Ų | 46.3 | 3% | 0.025 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 160.1 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | S250 T280 Y410 A428 T430 | S250-A408 WeakPolarHBondContact CA-O 3.01Å; S250-A408 WeakPolarHBondContact CB-O 3.35Å; S250-A408 VanDerWaalsContact OG-C 3.31Å; S250-A408 WeakPolarHBondContact OG-CB 3.26Å; S250-A408 PolarHBondContact OG-N 2.83Å; S250-A408 PolarHBondContact OG-O 2.93Å; T280-A408 HydrophobicContact CG2-CB 3.79Å; A408-Y410 HydrophobicContact CB-CE2 4.38Å; A408-A428 VanDerWaalsContact C-CB 3.42Å; A408-T430 CarbonylContact C-O 3.48Å; A408-T430 WeakPolarHBondContact CA-O 3.5Å |
| 409 | G | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 158.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P251 T430 V431 E432 | P251-G409 WeakPolarHBondContact O-CA 3.37Å; G409-T430 PolarHBondContact N-O 2.9Å; G409-V431 WeakPolarHBondContact O-CA 3.26Å; G409-E432 PolarHBondContact O-N 3.4Å; G409-E432 VanDerWaalsContact O-N 3.08Å |
| 410 | Y | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 148.7 | -171.3 | -50.6 | -81.9 | 0 | 0 | 0 | 111.3 | P251 Y252 I253 K270 T280 A408 E432 | P251-Y410 WeakPolarHBondContact O-CD2 3.38Å; P251-Y410 PolarHBondContact O-N 3.34Å; Y252-Y410 AromaticContact CD2-CD2 3.69Å; Y252-Y410 HydrophobicContact CD2-CD2 3.69Å; Y252-Y410 AromaticContact CD2-CG 3.59Å; Y252-Y410 HydrophobicContact CD2-CG 3.59Å; Y252-Y410 HydrophobicContact CE2-CD1 4.36Å; Y252-Y410 HydrophobicContact CE2-CD2 4.33Å; Y252-Y410 AromaticContact CE2-CG 3.83Å; Y252-Y410 HydrophobicContact CE2-CG 3.83Å; Y252-Y410 HydrophobicContact CG-CD2 4.39Å; Y252-Y410 HydrophobicContact CG-CG 4.35Å; I253-Y410 PolarHBondContact N-O 3.33Å; K270-Y410 HydrophobicContact CD-CE1 4.44Å; T280-Y410 WeakPolarHBondContact CB-OH 3.29Å; T280-Y410 VanDerWaalsContact O-CE2 3.23Å; T280-Y410 WeakPolarHBondContact O-CE2 3.29Å; T280-Y410 VanDerWaalsContact O-CZ 3.3Å; T280-Y410 PolarHBondContact O-OH 3.47Å; T280-Y410 PolarHBondContact OG1-OH 2.73Å; A408-Y410 HydrophobicContact CB-CE2 4.38Å; Y410-E432 WeakPolarHBondContact CA-O 3.24Å; Y410-E432 HydrophobicContact CD1-CB 3.8Å; Y410-E432 HydrophobicContact CD1-CG 4.39Å; Y410-E432 HydrophobicContact CE1-CB 4.01Å; Y410-E432 WeakPolarHBondContact CE1-OE2 3.45Å |
| 411 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 136.5 | 168.9 | 62.7 | 0 | 0 | 0 | 0 | 110.6 | I253 L255 L419 V422 A423 E432 I433 N434 | I253-V411 HydrophobicContact CB-CB 4.5Å; I253-V411 HydrophobicContact CB-CG2 4.29Å; I253-V411 HydrophobicContact CG2-CG2 4.33Å; I253-V411 VanDerWaalsContact O-CA 3.3Å; I253-V411 WeakPolarHBondContact O-CA 3.29Å; L255-V411 HydrophobicContact CD1-CG2 3.97Å; L255-V411 HydrophobicContact CD2-CG2 4.15Å; L255-V411 HydrophobicContact CG-CG2 3.85Å; V411-L419 HydrophobicContact CB-CD2 4.46Å; V411-L419 HydrophobicContact CG1-CD2 4.01Å; V411-L419 HydrophobicContact CG2-CD2 3.83Å; V411-V422 HydrophobicContact CB-CB 4.29Å; V411-V422 HydrophobicContact CB-CG1 3.69Å; V411-V422 HydrophobicContact CG1-CB 4.43Å; V411-V422 HydrophobicContact CG1-CG1 4.18Å; V411-V422 HydrophobicContact CG2-CB 3.93Å; V411-V422 HydrophobicContact CG2-CG1 3.63Å; V411-V422 HydrophobicContact CG2-CG2 4.29Å; V411-A423 HydrophobicContact CG1-CB 4.45Å; V411-E432 PolarHBondContact N-O 3.24Å; V411-E432 VanDerWaalsContact N-O 3.14Å; V411-I433 HydrophobicContact CG1-CB 4.37Å; V411-I433 HydrophobicContact CG1-CG1 3.88Å; V411-I433 HydrophobicContact CG1-CG2 4.36Å; V411-I433 WeakPolarHBondContact O-CA 3.18Å; V411-N434 PolarHBondContact O-N 2.93Å |
| 412 | I | 98.9 | Very high | 98.6 | Very high | 12 Ų | 12 | 45.9 Ų | 45.9 | 6% | 0.062 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 136.7 | 174.4 | -163.3 | 174.7 | 0 | 0 | 0 | 111.8 | Y252 I253 V254 L255 V258 A263 A266 N434 | Y252-I412 HydrophobicContact CD1-CG2 4.47Å; Y252-I412 HydrophobicContact CE1-CB 3.9Å; Y252-I412 HydrophobicContact CE1-CG2 3.59Å; I253-I412 PolarHBondContact O-N 3.14Å; V254-I412 HydrophobicContact CB-CG2 4.3Å; V254-I412 HydrophobicContact CG1-CG2 4.23Å; V254-I412 HydrophobicContact CG2-CG2 4.12Å; L255-I412 VanDerWaalsContact CB-O 3.29Å; L255-I412 WeakPolarHBondContact CB-O 3.47Å; L255-I412 WeakPolarHBondContact CG-O 3.28Å; L255-I412 PolarHBondContact N-O 2.84Å; V258-I412 HydrophobicContact CG2-CB 4.42Å; V258-I412 HydrophobicContact CG2-CD1 4.17Å; V258-I412 HydrophobicContact CG2-CG1 3.87Å; V258-I412 HydrophobicContact CG2-CG2 3.97Å; A263-I412 HydrophobicContact CB-CG2 4.26Å; A266-I412 HydrophobicContact CB-CD1 3.98Å; I412-N434 WeakPolarHBondContact CA-OD1 3.28Å; I412-N434 WeakPolarHBondContact CG1-OD1 3.33Å |
| 413 | G | 98.6 | Very high | 98.6 | Very high | 6 Ų | 6 | 43.3 Ų | 43.3 | 6% | 0.062 | 21% | 0.207 | C | C | . | . | trans | 169.2 | -165.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | D257 N434 | D257-G413 WeakPolarHBondContact OD1-CA 3.21Å; G413-N434 PolarHBondContact N-OD1 2.81Å; G413-N434 PolarHBondContact O-ND2 3.31Å; G413-N434 PolarHBondContact O-OD1 2.61Å; G413-N434 VanDerWaalsContact O-OD1 3.11Å | ||
| 414 | K | 98.6 | Very high | 98.6 | Very high | 133 Ų | 133 | 53.1 Ų | 53.1 | 58% | 0.578 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -117.4 | -37.1 | -176.1 | -59.8 | 178.7 | -173.9 | 146.1 | 0 | 113.4 | D257 K416 | D257-K414 VanDerWaalsContact CG-N 3.34Å; D257-K414 WeakPolarHBondContact O-CD 3.37Å; D257-K414 WeakPolarHBondContact O-CE 3.43Å; D257-K414 PolarHBondContact O-NZ 3.43Å; D257-K414 PolarHBondContact OD1-N 3.41Å; D257-K414 WeakPolarHBondContact OD2-CA 3.19Å; D257-K414 WeakPolarHBondContact OD2-CB 3.34Å; D257-K414 PolarHBondContact OD2-N 3.13Å; K414-K416 PolarHBondContact O-N 3.28Å |
| 415 | D | 98.3 | Very high | 98.7 | Very high | 70 Ų | 70 | 51.5 Ų | 51.5 | 37% | 0.374 | 24% | 0.24 | S | C | . | . | trans | -72 | 112.6 | -176.3 | -179.8 | 60.2 | 0 | 0 | 0 | 111.1 | D257 E417 T418 L419 | D257-D415 WeakPolarHBondContact OD2-CB 3.37Å; D257-D415 PolarHBondContact OD2-N 3.42Å; D415-E417 VanDerWaalsContact C-N 3.33Å; D415-E417 PolarHBondContact O-N 3.49Å; D415-T418 PolarHBondContact O-N 2.84Å; D415-T418 WeakPolarHBondContact OD2-CB 3.39Å; D415-T418 PolarHBondContact OD2-N 2.87Å; D415-T418 PolarHBondContact OD2-OG1 3.04Å; D415-L419 WeakPolarHBondContact O-CB 3.37Å; D415-L419 WeakPolarHBondContact O-CG 3.29Å; D415-L419 PolarHBondContact O-N 3.01Å | ||
| 416 | K | 98.4 | Very high | 98.7 | Very high | 143 Ų | 143 | 50.3 Ų | 50.3 | 62% | 0.622 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -64 | -37.3 | -172.7 | -174.6 | 174.4 | 178 | 176.9 | 0 | 112.6 | K414 H420 | K414-K416 PolarHBondContact O-N 3.28Å; K416-H420 WeakPolarHBondContact CE-CE1 3.46Å; K416-H420 WeakPolarHBondContact O-CB 3.17Å; K416-H420 PolarHBondContact O-CD2 2.95Å; K416-H420 PolarHBondContact O-N 3.46Å |
| 417 | E | 98.6 | Very high | 98.7 | Very high | 161 Ų | 161 | 54.6 Ų | 54.6 | 75% | 0.752 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -66.9 | -44.2 | 179.7 | -66.1 | -171.7 | 168.8 | 0 | 0 | 110.7 | D415 H420 K421 | D415-E417 VanDerWaalsContact C-N 3.33Å; D415-E417 PolarHBondContact O-N 3.49Å; E417-H420 PolarHBondContact O-N 3.33Å; E417-K421 WeakPolarHBondContact O-CB 3.4Å; E417-K421 PolarHBondContact O-N 3.04Å |
| 418 | T | 98.7 | Very high | 98.7 | Very high | 40 Ų | 40 | 55.2 Ų | 55.2 | 25% | 0.245 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64 | -46.7 | 175.7 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | L255 L393 D415 H420 K421 V422 | L255-T418 HydrophobicContact CD1-CG2 3.63Å; L255-T418 HydrophobicContact CD2-CG2 3.92Å; L255-T418 HydrophobicContact CG-CG2 4.43Å; L393-T418 HydrophobicContact CD1-CG2 4.14Å; L393-T418 HydrophobicContact CD2-CG2 3.74Å; D415-T418 PolarHBondContact O-N 2.84Å; D415-T418 WeakPolarHBondContact OD2-CB 3.39Å; D415-T418 PolarHBondContact OD2-N 2.87Å; D415-T418 PolarHBondContact OD2-OG1 3.04Å; T418-H420 VanDerWaalsContact C-N 3.31Å; T418-H420 PolarHBondContact O-N 3.23Å; T418-K421 PolarHBondContact O-N 2.89Å; T418-V422 WeakPolarHBondContact O-CG2 3.32Å; T418-V422 PolarHBondContact O-N 2.85Å |
| 419 | L | 98.8 | Very high | 98.6 | Very high | 9 Ų | 9 | 56.3 Ų | 56.3 | 5% | 0.047 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.6 | -45.5 | 175.9 | -71.1 | 165.8 | 0 | 0 | 0 | 111.5 | L255 V411 D415 A423 I433 | L255-L419 HydrophobicContact CD1-CD2 3.66Å; L255-L419 HydrophobicContact CD1-CG 4.01Å; V411-L419 HydrophobicContact CB-CD2 4.46Å; V411-L419 HydrophobicContact CG1-CD2 4.01Å; V411-L419 HydrophobicContact CG2-CD2 3.83Å; D415-L419 WeakPolarHBondContact O-CB 3.37Å; D415-L419 WeakPolarHBondContact O-CG 3.29Å; D415-L419 PolarHBondContact O-N 3.01Å; L419-A423 VanDerWaalsContact O-CB 3.26Å; L419-A423 WeakPolarHBondContact O-CB 3.35Å; L419-A423 PolarHBondContact O-N 2.94Å; L419-I433 HydrophobicContact CB-CG2 4.03Å; L419-I433 HydrophobicContact CD1-CG2 4.08Å; L419-I433 HydrophobicContact CD2-CG2 3.89Å; L419-I433 HydrophobicContact CG-CG2 4.22Å |
| 420 | H | 98.7 | Very high | 98.5 | Very high | 85 Ų | 85 | 57 Ų | 57 | 39% | 0.394 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.4 | -39.5 | 177.5 | -72 | -175.6 | 0 | 0 | 0 | 112.6 | K416 E417 T418 R424 | K416-H420 WeakPolarHBondContact CE-CE1 3.46Å; K416-H420 WeakPolarHBondContact O-CB 3.17Å; K416-H420 PolarHBondContact O-CD2 2.95Å; K416-H420 PolarHBondContact O-N 3.46Å; E417-H420 PolarHBondContact O-N 3.33Å; T418-H420 VanDerWaalsContact C-N 3.31Å; T418-H420 PolarHBondContact O-N 3.23Å; H420-R424 WeakPolarHBondContact O-CB 3.43Å; H420-R424 VanDerWaalsContact O-CG 3.29Å; H420-R424 WeakPolarHBondContact O-CG 3.45Å; H420-R424 PolarHBondContact O-N 2.75Å; H420-R424 VanDerWaalsContact O-N 3.1Å |
| 421 | K | 98.7 | Very high | 98.5 | Very high | 95 Ų | 95 | 59.3 Ų | 59.3 | 41% | 0.413 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.9 | -53.8 | 174.6 | 178.5 | -178.5 | 169.1 | -169.8 | 0 | 109.4 | L393 D394 E417 T418 A423 R424 S425 | L393-K421 HydrophobicContact CD2-CD 3.89Å; D394-K421 IonicContact OD1-NZ 2.63Å; D394-K421 PolarHBondContact OD1-NZ 2.84Å; E417-K421 WeakPolarHBondContact O-CB 3.4Å; E417-K421 PolarHBondContact O-N 3.04Å; T418-K421 PolarHBondContact O-N 2.89Å; K421-A423 PolarHBondContact O-N 3.22Å; K421-R424 PolarHBondContact O-N 2.93Å; K421-S425 WeakPolarHBondContact O-CB 3.41Å; K421-S425 PolarHBondContact O-N 2.98Å; K421-S425 PolarHBondContact O-OG 3.24Å |
| 422 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.7 | -49.3 | 179.9 | 175.1 | 0 | 0 | 0 | 0 | 111.4 | I253 L255 L393 I397 V411 T418 R424 S425 I426 | I253-V422 HydrophobicContact CB-CG1 4.4Å; I253-V422 HydrophobicContact CD1-CG1 3.57Å; L255-V422 HydrophobicContact CD2-CG2 4.26Å; L393-V422 HydrophobicContact CD1-CG2 3.45Å; L393-V422 VanDerWaalsContact CD1-CG2 3.45Å; L393-V422 HydrophobicContact CD2-CG2 4.24Å; L393-V422 HydrophobicContact CG-CG2 4.12Å; I397-V422 HydrophobicContact CD1-CG2 4.45Å; V411-V422 HydrophobicContact CB-CB 4.29Å; V411-V422 HydrophobicContact CB-CG1 3.69Å; V411-V422 HydrophobicContact CG1-CB 4.43Å; V411-V422 HydrophobicContact CG1-CG1 4.18Å; V411-V422 HydrophobicContact CG2-CB 3.93Å; V411-V422 HydrophobicContact CG2-CG1 3.63Å; V411-V422 HydrophobicContact CG2-CG2 4.29Å; T418-V422 WeakPolarHBondContact O-CG2 3.32Å; T418-V422 PolarHBondContact O-N 2.85Å; V422-R424 PolarHBondContact O-N 2.9Å; V422-S425 PolarHBondContact O-N 3.37Å; V422-I426 HydrophobicContact CG1-CD1 3.84Å; V422-I426 HydrophobicContact CG1-CG1 4.13Å; V422-I426 WeakPolarHBondContact O-CG1 3.34Å; V422-I426 PolarHBondContact O-N 2.95Å |
| 423 | A | 98.7 | Very high | 98.5 | Very high | 19 Ų | 19 | 61.7 Ų | 61.7 | 16% | 0.157 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.7 | -33.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V411 L419 K421 V431 I433 | V411-A423 HydrophobicContact CG1-CB 4.45Å; L419-A423 VanDerWaalsContact O-CB 3.26Å; L419-A423 WeakPolarHBondContact O-CB 3.35Å; L419-A423 PolarHBondContact O-N 2.94Å; K421-A423 PolarHBondContact O-N 3.22Å; A423-V431 HydrophobicContact CB-CG1 3.83Å; A423-I433 HydrophobicContact CB-CD1 3.61Å; A423-I433 HydrophobicContact CB-CG1 3.82Å |
| 424 | R | 98.5 | Very high | 98.5 | Very high | 222 Ų | 222 | 64.7 Ų | 64.7 | 84% | 0.838 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -78.4 | -23.2 | 174.9 | -68.8 | -179.1 | 112.3 | 110.2 | 4.3 | 113.6 | H420 K421 V422 | H420-R424 WeakPolarHBondContact O-CB 3.43Å; H420-R424 VanDerWaalsContact O-CG 3.29Å; H420-R424 WeakPolarHBondContact O-CG 3.45Å; H420-R424 PolarHBondContact O-N 2.75Å; H420-R424 VanDerWaalsContact O-N 3.1Å; K421-R424 PolarHBondContact O-N 2.93Å; V422-R424 PolarHBondContact O-N 2.9Å |
| 425 | S | 98.7 | Very high | 98.4 | Very high | 42 Ų | 42 | 61.5 Ų | 61.5 | 29% | 0.294 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -89.9 | -23.5 | -177.9 | -67.7 | 0 | 0 | 0 | 0 | 113.5 | N401 K421 V422 E427 | N401-S425 PolarHBondContact ND2-O 3.17Å; K421-S425 WeakPolarHBondContact O-CB 3.41Å; K421-S425 PolarHBondContact O-N 2.98Å; K421-S425 PolarHBondContact O-OG 3.24Å; V422-S425 PolarHBondContact O-N 3.37Å; S425-E427 PolarHBondContact O-N 3.35Å |
| 426 | I | 98.7 | Very high | 98.3 | Very high | 9 Ų | 9 | 62.2 Ų | 62.2 | 5% | 0.046 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -65.9 | 124.5 | 174.8 | -67 | 167.6 | 0 | 0 | 0 | 108.9 | P251 I253 N401 V422 A428 V431 | P251-I426 HydrophobicContact CG-CG2 4.43Å; I253-I426 HydrophobicContact CD1-CD1 4.17Å; I253-I426 HydrophobicContact CD1-CG1 4.24Å; N401-I426 WeakPolarHBondContact OD1-CA 3.45Å; V422-I426 HydrophobicContact CG1-CD1 3.84Å; V422-I426 HydrophobicContact CG1-CG1 4.13Å; V422-I426 WeakPolarHBondContact O-CG1 3.34Å; V422-I426 PolarHBondContact O-N 2.95Å; I426-A428 VanDerWaalsContact C-N 3.26Å; I426-A428 HydrophobicContact CG2-CB 3.71Å; I426-A428 PolarHBondContact O-N 2.75Å; I426-V431 HydrophobicContact CB-CG2 4.24Å; I426-V431 HydrophobicContact CD1-CG1 4.35Å; I426-V431 HydrophobicContact CG2-CG2 4.21Å |
| 427 | E | 98.5 | Very high | 97.9 | Very high | 93 Ų | 93 | 57.6 Ų | 57.6 | 44% | 0.435 | 31% | 0.313 | S | S | . | . | trans | -83.5 | 71.7 | 174.1 | -68.3 | -177.8 | 178.2 | 0 | 0 | 110.4 | N401 S425 Y447 K448 | N401-E427 PolarHBondContact OD1-N 2.96Å; S425-E427 PolarHBondContact O-N 3.35Å; E427-Y447 VanDerWaalsContact C-CZ 3.47Å; E427-Y447 WeakPolarHBondContact CA-OH 3.36Å; E427-Y447 HydrophobicContact CB-CE1 4.47Å; E427-Y447 WeakPolarHBondContact CB-OH 3.42Å; E427-Y447 WeakPolarHBondContact O-CE1 3.33Å; E427-K448 WeakPolarHBondContact OE2-CE 3.36Å; E427-K448 IonicContact OE2-NZ 3.56Å; E427-K448 PolarHBondContact OE2-NZ 3.32Å | ||
| 428 | A | 98.5 | Very high | 97.5 | Very high | 13 Ų | 13 | 54.1 Ų | 54.1 | 11% | 0.107 | 29% | 0.293 | C | S | . | . | trans | -130.9 | 147.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | G406 A408 I426 T430 V431 Y447 | G406-A428 WeakPolarHBondContact O-CA 3.24Å; A408-A428 VanDerWaalsContact C-CB 3.42Å; I426-A428 VanDerWaalsContact C-N 3.26Å; I426-A428 HydrophobicContact CG2-CB 3.71Å; I426-A428 PolarHBondContact O-N 2.75Å; A428-T430 VanDerWaalsContact C-N 3.3Å; A428-V431 HydrophobicContact CB-CG2 4Å; A428-Y447 PolarHBondContact N-OH 2.65Å | ||
| 429 | G | 97.6 | Very high | 97.1 | Very high | 26 Ų | 26 | 58.6 Ų | 58.6 | 27% | 0.268 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -74.7 | -20.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | G406 L407 G445 | G406-G429 PolarHBondContact O-N 3.16Å; L407-G429 PolarHBondContact O-N 3.23Å; G429-G445 CarbonylContact C-O 3.54Å; G429-G445 VanDerWaalsContact C-O 3.27Å; G429-G445 WeakPolarHBondContact CA-O 3.45Å |
| 430 | T | 97.2 | Very high | 96.6 | Very high | 16 Ų | 16 | 59.8 Ų | 59.8 | 10% | 0.098 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 117.4 | 175.2 | -56 | 0 | 0 | 0 | 0 | 110.6 | L407 A408 G409 A428 F444 G445 | L407-T430 PolarHBondContact O-N 3.49Å; A408-T430 CarbonylContact C-O 3.48Å; A408-T430 WeakPolarHBondContact CA-O 3.5Å; G409-T430 PolarHBondContact N-O 2.9Å; A428-T430 VanDerWaalsContact C-N 3.3Å; T430-F444 HydrophobicContact CG2-CD2 4.34Å; T430-G445 PolarHBondContact OG1-O 2.9Å |
| 431 | V | 98.4 | Very high | 96.1 | Very high | 52 Ų | 52 | 60.3 Ų | 60.3 | 32% | 0.315 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 133.2 | 178.3 | -179.8 | 0 | 0 | 0 | 0 | 110.7 | G409 A423 I426 A428 | G409-V431 WeakPolarHBondContact O-CA 3.26Å; A423-V431 HydrophobicContact CB-CG1 3.83Å; I426-V431 HydrophobicContact CB-CG2 4.24Å; I426-V431 HydrophobicContact CD1-CG1 4.35Å; I426-V431 HydrophobicContact CG2-CG2 4.21Å; A428-V431 HydrophobicContact CB-CG2 4Å |
| 432 | E | 98.4 | Very high | 95.8 | Very high | 13 Ų | 13 | 60.3 Ų | 60.3 | 6% | 0.061 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 132.6 | 180 | 174.3 | 179.5 | -160 | 0 | 0 | 110.9 | K270 G409 Y410 V411 E435 A436 G437 | K270-E432 IonicContact NZ-OE1 2.64Å; K270-E432 IonicContact NZ-OE2 3.51Å; K270-E432 PolarHBondContact NZ-OE2 3.41Å; G409-E432 PolarHBondContact O-N 3.4Å; G409-E432 VanDerWaalsContact O-N 3.08Å; Y410-E432 WeakPolarHBondContact CA-O 3.24Å; Y410-E432 HydrophobicContact CD1-CB 3.8Å; Y410-E432 HydrophobicContact CD1-CG 4.39Å; Y410-E432 HydrophobicContact CE1-CB 4.01Å; Y410-E432 WeakPolarHBondContact CE1-OE2 3.45Å; V411-E432 PolarHBondContact N-O 3.24Å; V411-E432 VanDerWaalsContact N-O 3.14Å; E432-E435 WeakPolarHBondContact OE1-CA 3.19Å; E432-A436 PolarHBondContact OE1-N 3.04Å; E432-G437 VanDerWaalsContact OE1-CA 3.32Å; E432-G437 WeakPolarHBondContact OE1-CA 3.32Å; E432-G437 PolarHBondContact OE1-N 3.36Å |
| 433 | I | 98.7 | Very high | 95.7 | Very high | 48 Ų | 48 | 62.5 Ų | 62.5 | 25% | 0.246 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 131.1 | 178.8 | -59 | 178.7 | 0 | 0 | 0 | 108.1 | V411 L419 A423 E435 A436 | V411-I433 HydrophobicContact CG1-CB 4.37Å; V411-I433 HydrophobicContact CG1-CG1 3.88Å; V411-I433 HydrophobicContact CG1-CG2 4.36Å; V411-I433 WeakPolarHBondContact O-CA 3.18Å; L419-I433 HydrophobicContact CB-CG2 4.03Å; L419-I433 HydrophobicContact CD1-CG2 4.08Å; L419-I433 HydrophobicContact CD2-CG2 3.89Å; L419-I433 HydrophobicContact CG-CG2 4.22Å; A423-I433 HydrophobicContact CB-CD1 3.61Å; A423-I433 HydrophobicContact CB-CG1 3.82Å; I433-E435 VanDerWaalsContact C-N 3.27Å; I433-E435 PolarHBondContact O-N 2.98Å; I433-E435 VanDerWaalsContact O-N 3.16Å; I433-A436 VanDerWaalsContact O-CB 3.26Å; I433-A436 WeakPolarHBondContact O-CB 3.18Å; I433-A436 PolarHBondContact O-N 3.38Å; I433-A436 VanDerWaalsContact O-N 3.1Å |
| 434 | N | 98.1 | Very high | 95.6 | Very high | 69 Ų | 69 | 61.9 Ų | 61.9 | 37% | 0.369 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 40.9 | 170.9 | -69.7 | -14.1 | 0 | 0 | 0 | 114.6 | V411 I412 G413 A436 | V411-N434 PolarHBondContact O-N 2.93Å; I412-N434 WeakPolarHBondContact CA-OD1 3.28Å; I412-N434 WeakPolarHBondContact CG1-OD1 3.33Å; G413-N434 PolarHBondContact N-OD1 2.81Å; G413-N434 PolarHBondContact O-ND2 3.31Å; G413-N434 PolarHBondContact O-OD1 2.61Å; G413-N434 VanDerWaalsContact O-OD1 3.11Å; N434-A436 PolarHBondContact O-N 3.41Å; N434-A436 VanDerWaalsContact O-N 3.11Å |
| 435 | E | 97 | Very high | 95.5 | Very high | 67 Ų | 67 | 51.3 Ų | 51.3 | 31% | 0.313 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 35 | 180 | -57.1 | -59.6 | 118.2 | 0 | 0 | 113.6 | Y252 A266 K270 E432 I433 G437 | Y252-E435 WeakPolarHBondContact CE2-OE1 3.43Å; Y252-E435 VanDerWaalsContact CZ-OE1 3.29Å; Y252-E435 PolarHBondContact OH-OE1 3.42Å; A266-E435 HydrophobicContact CB-CG 3.81Å; K270-E435 WeakPolarHBondContact CE-OE1 3.42Å; K270-E435 WeakPolarHBondContact CE-OE2 3.43Å; K270-E435 IonicContact NZ-OE1 2.94Å; K270-E435 IonicContact NZ-OE2 3.25Å; K270-E435 PolarHBondContact NZ-OE2 2.89Å; E432-E435 WeakPolarHBondContact OE1-CA 3.19Å; I433-E435 VanDerWaalsContact C-N 3.27Å; I433-E435 PolarHBondContact O-N 2.98Å; I433-E435 VanDerWaalsContact O-N 3.16Å; E435-G437 PolarHBondContact O-N 3.03Å |
| 436 | A | 96.3 | Very high | 95.4 | Very high | 85 Ų | 85 | 49.3 Ų | 49.3 | 70% | 0.702 | 28% | 0.281 | S | S | * | . | trans | -59.1 | -12.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | E432 I433 N434 | E432-A436 PolarHBondContact OE1-N 3.04Å; I433-A436 VanDerWaalsContact O-CB 3.26Å; I433-A436 WeakPolarHBondContact O-CB 3.18Å; I433-A436 PolarHBondContact O-N 3.38Å; I433-A436 VanDerWaalsContact O-N 3.1Å; N434-A436 PolarHBondContact O-N 3.41Å; N434-A436 VanDerWaalsContact O-N 3.11Å | ||
| 437 | G | 90.2 | Very high | 95.2 | Very high | 46 Ų | 46 | 53.1 Ų | 53.1 | 47% | 0.474 | 30% | 0.295 | S | S | . | . | trans | 80.3 | 155.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E432 E435 | E432-G437 VanDerWaalsContact OE1-CA 3.32Å; E432-G437 WeakPolarHBondContact OE1-CA 3.32Å; E432-G437 PolarHBondContact OE1-N 3.36Å; E435-G437 PolarHBondContact O-N 3.03Å | ||
| 438 | R | 89.4 | Confident | 95.2 | Very high | 88 Ų | 88 | 52.4 Ų | 52.4 | 33% | 0.332 | 29% | 0.291 | S | S | . | . | trans | -106.5 | 143.8 | 175.2 | -64.5 | 176.3 | -75.1 | 169 | -6.3 | 109.2 | W456 | R438-W456 HydrophobicContact CB-CH2 4.19Å; R438-W456 HydrophobicContact CB-CZ3 3.92Å | ||
| 439 | K | 90.3 | Very high | 95.1 | Very high | 133 Ų | 133 | 57.1 Ų | 57.1 | 58% | 0.578 | 31% | 0.311 | S | S | * | . | trans | -110.6 | 143.9 | 178.3 | -61.1 | -177.3 | -179.4 | -179 | 0 | 110.2 | D441 L442 W456 | K439-D441 WeakPolarHBondContact CB-OD1 3.48Å; K439-D441 PolarHBondContact O-N 3.18Å; K439-L442 PolarHBondContact O-N 2.95Å; K439-W456 WeakPolarHBondContact O-CZ3 3.45Å | ||
| 440 | P | 89.1 | Confident | 95.2 | Very high | 35 Ų | 35 | 55.9 Ų | 55.9 | 23% | 0.227 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -1 | -176.2 | 32.8 | -38.6 | 0 | 0 | 0 | 114.1 | N109 A113 G457 | N109-P440 HydrophobicContact CB-CG 4.34Å; A113-P440 HydrophobicContact CB-CB 3.79Å; A113-P440 HydrophobicContact CB-CG 3.89Å; P440-G457 WeakPolarHBondContact O-CA 3.44Å; P440-G457 PolarHBondContact O-N 3.39Å |
| 441 | D | 88.2 | Confident | 95.2 | Very high | 95 Ų | 95 | 55.3 Ų | 55.3 | 51% | 0.508 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -5.8 | 172.9 | 64.3 | -20.5 | 0 | 0 | 0 | 113.1 | K439 | K439-D441 WeakPolarHBondContact CB-OD1 3.48Å; K439-D441 PolarHBondContact O-N 3.18Å |
| 442 | L | 92.9 | Very high | 95.1 | Very high | 96 Ų | 96 | 56.7 Ų | 56.7 | 50% | 0.503 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -90.7 | 148.2 | 170.7 | -66.4 | 176.8 | 0 | 0 | 0 | 110.4 | K439 F444 W456 | K439-L442 PolarHBondContact O-N 2.95Å; L442-F444 PolarHBondContact O-N 2.92Å; L442-W456 WeakPolarHBondContact O-CB 3.25Å |
| 443 | P | 95.3 | Very high | 95.1 | Very high | 45 Ų | 45 | 57.2 Ų | 57.2 | 29% | 0.292 | 31% | 0.309 | S | S | . | . | trans | -62.2 | 132.7 | 172.8 | 25 | -32.6 | 0 | 0 | 0 | 110.4 | R454 Y459 | P443-R454 HydrophobicContact CB-CB 4.27Å; P443-R454 HydrophobicContact CB-CG 4.19Å; P443-Y459 HydrophobicContact CB-CD1 4.36Å; P443-Y459 HydrophobicContact CB-CD2 3.69Å; P443-Y459 HydrophobicContact CB-CE2 4.29Å; P443-Y459 HydrophobicContact CB-CG 3.73Å; P443-Y459 HydrophobicContact CG-CD2 3.89Å; P443-Y459 HydrophobicContact CG-CE2 4.02Å; P443-Y459 HydrophobicContact CG-CG 4.36Å | ||
| 444 | F | 97.6 | Very high | 95 | Very high | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -109.5 | 134.6 | 170.1 | 179.2 | -103.7 | 0 | 0 | 0 | 109.4 | E245 T280 L407 T430 L442 R454 E455 W456 | E245-F444 VanDerWaalsContact OE2-CE1 3.29Å; E245-F444 WeakPolarHBondContact OE2-CE1 3.5Å; T280-F444 HydrophobicContact CG2-CE2 3.71Å; T280-F444 HydrophobicContact CG2-CZ 3.74Å; L407-F444 HydrophobicContact CD1-CZ 4.2Å; T430-F444 HydrophobicContact CG2-CD2 4.34Å; L442-F444 PolarHBondContact O-N 2.92Å; F444-R454 CarbonylContact O-C 3.57Å; F444-R454 WeakPolarHBondContact O-CA 3.29Å; F444-E455 HydrophobicContact CB-CB 4.47Å; F444-E455 HydrophobicContact CD1-CB 4.39Å; F444-E455 PolarHBondContact N-O 3.41Å; F444-E455 PolarHBondContact O-N 2.91Å; F444-W456 HydrophobicContact CB-CB 4.19Å; F444-W456 HydrophobicContact CB-CD2 3.3Å; F444-W456 VanDerWaalsContact CB-CE2 3.44Å; F444-W456 HydrophobicContact CB-CE3 3.77Å; F444-W456 HydrophobicContact CB-CG 3.5Å; F444-W456 HydrophobicContact CB-CH2 4.47Å; F444-W456 HydrophobicContact CB-CZ2 4.05Å; F444-W456 HydrophobicContact CB-CZ3 4.34Å; F444-W456 HydrophobicContact CD1-CZ2 4.34Å; F444-W456 AromaticContact CD1-NE1 3.8Å; F444-W456 HydrophobicContact CD2-CH2 4.21Å; F444-W456 AromaticContact CD2-CZ2 3.99Å; F444-W456 HydrophobicContact CD2-CZ2 3.99Å; F444-W456 HydrophobicContact CG-CD2 4.03Å; F444-W456 AromaticContact CG-CE2 3.63Å; F444-W456 HydrophobicContact CG-CG 4.47Å; F444-W456 HydrophobicContact CG-CH2 4.4Å; F444-W456 AromaticContact CG-CZ2 3.84Å; F444-W456 HydrophobicContact CG-CZ2 3.84Å; F444-W456 AromaticContact CG-NE1 3.81Å |
| 445 | G | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | trans | 154.7 | 176 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | E245 G429 T430 | E245-G445 VanDerWaalsContact CD-CA 3.41Å; E245-G445 WeakPolarHBondContact OE1-CA 3.21Å; E245-G445 VanDerWaalsContact OE2-CA 3.3Å; E245-G445 WeakPolarHBondContact OE2-CA 3.36Å; G429-G445 CarbonylContact C-O 3.54Å; G429-G445 VanDerWaalsContact C-O 3.27Å; G429-G445 WeakPolarHBondContact CA-O 3.45Å; T430-G445 PolarHBondContact OG1-O 2.9Å | ||
| 446 | G | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | trans | -111.8 | -178.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | E245 G406 R454 | E245-G446 PolarHBondContact OE1-N 3.27Å; G406-G446 WeakPolarHBondContact O-CA 3.07Å; G446-R454 PolarHBondContact O-NH1 3.03Å | ||
| 447 | Y | 95.2 | Very high | 94.3 | Very high | 89 Ų | 89 | 49.3 Ų | 49.3 | 35% | 0.349 | 25% | 0.254 | S | S | . | . | trans | -151.2 | -171.2 | 166.3 | 65.9 | -22.6 | 0 | 0 | 0 | 108.4 | G406 E427 A428 Q449 S450 | G406-Y447 WeakPolarHBondContact CA-O 3.11Å; G406-Y447 PolarHBondContact N-O 2.79Å; G406-Y447 VanDerWaalsContact O-CD1 3.23Å; G406-Y447 WeakPolarHBondContact O-CD1 3.23Å; G406-Y447 PolarHBondContact O-N 3.43Å; E427-Y447 VanDerWaalsContact C-CZ 3.47Å; E427-Y447 WeakPolarHBondContact CA-OH 3.36Å; E427-Y447 HydrophobicContact CB-CE1 4.47Å; E427-Y447 WeakPolarHBondContact CB-OH 3.42Å; E427-Y447 WeakPolarHBondContact O-CE1 3.33Å; A428-Y447 PolarHBondContact N-OH 2.65Å; Y447-Q449 PolarHBondContact O-N 2.81Å; Y447-S450 WeakPolarHBondContact O-CB 3.48Å; Y447-S450 PolarHBondContact O-N 3.22Å | ||
| 448 | K | 97 | Very high | 94.4 | Very high | 78 Ų | 78 | 50.1 Ų | 50.1 | 34% | 0.339 | 25% | 0.247 | S | C | . | . | B | Isolated β-bridge | trans | 55.6 | -133.9 | -163.4 | -53.8 | 178.1 | 173.2 | 177.7 | 0 | 109.4 | N401 K404 E427 S450 | N401-K448 PolarHBondContact O-NZ 2.92Å; K404-K448 WeakPolarHBondContact O-CB 3.4Å; E427-K448 WeakPolarHBondContact OE2-CE 3.36Å; E427-K448 IonicContact OE2-NZ 3.56Å; E427-K448 PolarHBondContact OE2-NZ 3.32Å; K448-S450 PolarHBondContact O-N 3.43Å |
| 449 | Q | 97.7 | Very high | 94.6 | Very high | 113 Ų | 113 | 50.9 Ų | 50.9 | 53% | 0.528 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 7.2 | 176.1 | -58.6 | -168.1 | 12.3 | 0 | 0 | 113.9 | K404 Y447 | K404-Q449 HydrophobicContact CB-CB 4.42Å; K404-Q449 HydrophobicContact CB-CG 4.11Å; K404-Q449 HydrophobicContact CG-CB 4.37Å; K404-Q449 HydrophobicContact CG-CG 4.46Å; K404-Q449 VanDerWaalsContact O-CB 3.31Å; K404-Q449 WeakPolarHBondContact O-CB 3.1Å; K404-Q449 PolarHBondContact O-N 3.03Å; Y447-Q449 PolarHBondContact O-N 2.81Å |
| 450 | S | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -2.6 | 174.7 | -70.7 | 0 | 0 | 0 | 0 | 114.4 | L246 G247 Y405 G406 L407 Y447 K448 | L246-S450 WeakPolarHBondContact CA-O 3.37Å; L246-S450 WeakPolarHBondContact CB-O 3.49Å; L246-S450 PolarHBondContact N-O 3.42Å; G247-S450 WeakPolarHBondContact O-CB 3.36Å; G247-S450 PolarHBondContact O-OG 3.36Å; Y405-S450 WeakPolarHBondContact CB-OG 3.44Å; G406-S450 PolarHBondContact N-OG 2.84Å; L407-S450 VanDerWaalsContact N-CB 3.32Å; L407-S450 PolarHBondContact N-OG 3.28Å; L407-S450 VanDerWaalsContact N-OG 3.1Å; Y447-S450 WeakPolarHBondContact O-CB 3.48Å; Y447-S450 PolarHBondContact O-N 3.22Å; K448-S450 PolarHBondContact O-N 3.43Å |
| 451 | G | 97.9 | Very high | 95.3 | Very high | 4 Ų | 4 | 43 Ų | 43 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 136.1 | -169.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | L244 | L244-G451 CarbonylContact O-C 3.51Å; L244-G451 WeakPolarHBondContact O-CA 3.49Å |
| 452 | L | 97.3 | Very high | 95.8 | Very high | 81 Ų | 81 | 41.7 Ų | 41.7 | 42% | 0.424 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 137.7 | -176.3 | -63.7 | 174.3 | 0 | 0 | 0 | 109.1 | M232 V242 S243 L244 | M232-L452 HydrophobicContact CE-CD1 4.15Å; M232-L452 HydrophobicContact SD-CD1 4.22Å; V242-L452 HydrophobicContact CG2-CD1 4.36Å; S243-L452 CarbonylContact C-O 3.56Å; S243-L452 WeakPolarHBondContact CA-O 3.39Å; L244-L452 HydrophobicContact CD1-CD1 4.3Å; L244-L452 PolarHBondContact N-O 3.32Å; L244-L452 PolarHBondContact O-N 3.31Å |
| 453 | G | 97.1 | Very high | 96 | Very high | 23 Ų | 23 | 38.3 Ų | 38.3 | 24% | 0.237 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 87 | -178.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E463 | G453-E463 WeakPolarHBondContact CA-OE1 3.5Š|
| 454 | R | 97.2 | Very high | 96.1 | Very high | 66 Ų | 66 | 36.4 Ų | 36.4 | 25% | 0.249 | 17% | 0.173 | C | C | . | . | trans | -134.5 | 146.4 | 178.1 | -66.1 | -64.1 | 178.9 | -92.7 | 6.1 | 111.6 | P443 F444 G446 E463 | P443-R454 HydrophobicContact CB-CB 4.27Å; P443-R454 HydrophobicContact CB-CG 4.19Å; F444-R454 CarbonylContact O-C 3.57Å; F444-R454 WeakPolarHBondContact O-CA 3.29Å; G446-R454 PolarHBondContact O-NH1 3.03Å; R454-E463 PolarHBondContact N-OE1 3.43Å; R454-E463 WeakPolarHBondContact O-CG 3.46Å | ||
| 455 | E | 95.5 | Very high | 96.2 | Very high | 7 Ų | 7 | 36.5 Ų | 36.5 | 3% | 0.033 | 17% | 0.173 | C | C | . | . | B | Isolated β-bridge | trans | -105.7 | 174.8 | 169.7 | -59.4 | -172.6 | 147.5 | 0 | 0 | 110.3 | L155 K156 T222 E245 F444 | L155-E455 HydrophobicContact CD1-CB 3.98Å; L155-E455 HydrophobicContact CD1-CG 3.91Å; L155-E455 VanDerWaalsContact CD1-OE1 3.27Å; L155-E455 WeakPolarHBondContact CD1-OE1 3.46Å; L155-E455 VanDerWaalsContact CD1-OE2 3.22Å; L155-E455 WeakPolarHBondContact CD1-OE2 3.35Å; K156-E455 IonicContact NZ-OE1 3.76Å; K156-E455 PolarHBondContact NZ-OE1 3.33Å; T222-E455 PolarHBondContact OG1-OE1 2.87Å; E245-E455 HydrophobicContact CG-CG 3.74Å; F444-E455 HydrophobicContact CB-CB 4.47Å; F444-E455 HydrophobicContact CD1-CB 4.39Å; F444-E455 PolarHBondContact N-O 3.41Å; F444-E455 PolarHBondContact O-N 2.91Å |
| 456 | W | 93.2 | Very high | 96.3 | Very high | 21 Ų | 21 | 41.3 Ų | 41.3 | 8% | 0.08 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 71.4 | 149.6 | 175.3 | -56.2 | 12 | 0 | 0 | 0 | 114.6 | M106 H110 R438 K439 L442 F444 G460 | M106-W456 HydrophobicContact CE-CZ2 4.46Å; H110-W456 AromaticContact CE1-CD1 3.28Å; H110-W456 AromaticContact CE1-CD2 3.63Å; H110-W456 AromaticContact CE1-CE2 3.49Å; H110-W456 VanDerWaalsContact CE1-CE2 3.49Å; H110-W456 AromaticContact CE1-CG 3.52Å; H110-W456 AromaticContact CE1-NE1 3.28Å; H110-W456 PolarHBondContact CE1-NE1 2.75Å; H110-W456 VanDerWaalsContact CE1-NE1 3.28Å; H110-W456 AromaticContact NE2-CE2 3.82Å; H110-W456 AromaticContact NE2-NE1 3.59Å; R438-W456 HydrophobicContact CB-CH2 4.19Å; R438-W456 HydrophobicContact CB-CZ3 3.92Å; K439-W456 WeakPolarHBondContact O-CZ3 3.45Å; L442-W456 WeakPolarHBondContact O-CB 3.25Å; F444-W456 HydrophobicContact CB-CB 4.19Å; F444-W456 HydrophobicContact CB-CD2 3.3Å; F444-W456 VanDerWaalsContact CB-CE2 3.44Å; F444-W456 HydrophobicContact CB-CE3 3.77Å; F444-W456 HydrophobicContact CB-CG 3.5Å; F444-W456 HydrophobicContact CB-CH2 4.47Å; F444-W456 HydrophobicContact CB-CZ2 4.05Å; F444-W456 HydrophobicContact CB-CZ3 4.34Å; F444-W456 HydrophobicContact CD1-CZ2 4.34Å; F444-W456 AromaticContact CD1-NE1 3.8Å; F444-W456 HydrophobicContact CD2-CH2 4.21Å; F444-W456 AromaticContact CD2-CZ2 3.99Å; F444-W456 HydrophobicContact CD2-CZ2 3.99Å; F444-W456 HydrophobicContact CG-CD2 4.03Å; F444-W456 AromaticContact CG-CE2 3.63Å; F444-W456 HydrophobicContact CG-CG 4.47Å; F444-W456 HydrophobicContact CG-CH2 4.4Å; F444-W456 AromaticContact CG-CZ2 3.84Å; F444-W456 HydrophobicContact CG-CZ2 3.84Å; F444-W456 AromaticContact CG-NE1 3.81Å; W456-G460 PolarHBondContact O-N 2.92Å |
| 457 | G | 87.4 | Confident | 96.3 | Very high | 10 Ų | 10 | 46.3 Ų | 46.3 | 10% | 0.103 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | 51.8 | -146.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | P440 G460 I461 | P440-G457 WeakPolarHBondContact O-CA 3.44Å; P440-G457 PolarHBondContact O-N 3.39Å; G457-G460 PolarHBondContact O-N 3.23Å; G457-I461 WeakPolarHBondContact O-CG1 3.38Å; G457-I461 PolarHBondContact O-N 3.02Å |
| 458 | D | 92.8 | Very high | 96.5 | Very high | 63 Ų | 63 | 46.1 Ų | 46.1 | 34% | 0.337 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.5 | -39.8 | 175 | 55.9 | -17.8 | 0 | 0 | 0 | 113 | Y121 G460 I461 E462 | Y121-D458 HydrophobicContact CD2-CB 3.69Å; Y121-D458 HydrophobicContact CE2-CB 3.81Å; D458-G460 VanDerWaalsContact C-N 3.32Å; D458-G460 PolarHBondContact O-N 3.01Å; D458-I461 WeakPolarHBondContact O-CB 3.48Å; D458-I461 PolarHBondContact O-N 3.09Å; D458-I461 VanDerWaalsContact O-N 3.11Å; D458-E462 WeakPolarHBondContact O-CG 3.3Å; D458-E462 PolarHBondContact O-N 3.47Å |
| 459 | Y | 93.9 | Very high | 96.6 | Very high | 104 Ų | 104 | 47.2 Ų | 47.2 | 41% | 0.408 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.2 | -38.2 | 176.2 | -75.1 | -86 | 0 | 0 | 0 | 113 | P443 I461 E462 E463 | P443-Y459 HydrophobicContact CB-CD1 4.36Å; P443-Y459 HydrophobicContact CB-CD2 3.69Å; P443-Y459 HydrophobicContact CB-CE2 4.29Å; P443-Y459 HydrophobicContact CB-CG 3.73Å; P443-Y459 HydrophobicContact CG-CD2 3.89Å; P443-Y459 HydrophobicContact CG-CE2 4.02Å; P443-Y459 HydrophobicContact CG-CG 4.36Å; Y459-I461 VanDerWaalsContact C-N 3.33Å; Y459-E462 WeakPolarHBondContact O-CB 3.21Å; Y459-E462 PolarHBondContact O-N 3.12Å; Y459-E463 PolarHBondContact O-N 3Å |
| 460 | G | 96.6 | Very high | 96.6 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.1 | -38.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | W456 G457 D458 E462 E463 F464 | W456-G460 PolarHBondContact O-N 2.92Å; G457-G460 PolarHBondContact O-N 3.23Å; D458-G460 VanDerWaalsContact C-N 3.32Å; D458-G460 PolarHBondContact O-N 3.01Å; G460-E462 VanDerWaalsContact C-N 3.32Å; G460-E463 PolarHBondContact O-N 3.48Å; G460-F464 VanDerWaalsContact O-CD2 3.27Å; G460-F464 WeakPolarHBondContact O-CD2 3.45Å |
| 461 | I | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 175.7 | -61.3 | 171.8 | 0 | 0 | 0 | 110.1 | A117 L118 F123 A162 A163 G457 D458 Y459 E463 F464 L465 | A117-I461 HydrophobicContact CB-CD1 4.02Å; L118-I461 HydrophobicContact CD2-CD1 4.49Å; F123-I461 HydrophobicContact CZ-CG2 4.43Å; A162-I461 HydrophobicContact CB-CD1 3.73Å; A162-I461 HydrophobicContact CB-CG1 3.86Å; A163-I461 HydrophobicContact CB-CG2 3.98Å; G457-I461 WeakPolarHBondContact O-CG1 3.38Å; G457-I461 PolarHBondContact O-N 3.02Å; D458-I461 WeakPolarHBondContact O-CB 3.48Å; D458-I461 PolarHBondContact O-N 3.09Å; D458-I461 VanDerWaalsContact O-N 3.11Å; Y459-I461 VanDerWaalsContact C-N 3.33Å; I461-E463 PolarHBondContact O-N 3.36Å; I461-F464 PolarHBondContact O-N 2.81Å; I461-L465 HydrophobicContact CG2-CD1 3.93Å |
| 462 | E | 97.2 | Very high | 96.6 | Very high | 67 Ų | 67 | 50 Ų | 50 | 31% | 0.313 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.4 | -27.9 | 178.6 | -74.5 | -175 | 163.2 | 0 | 0 | 114.1 | Y121 K134 K241 D458 Y459 G460 F464 L465 | Y121-E462 HydrophobicContact CE2-CG 4.15Å; Y121-E462 WeakPolarHBondContact OH-CG 2.91Å; Y121-E462 PolarHBondContact OH-OE1 3.16Å; K134-E462 IonicContact NZ-OE1 3.78Å; K134-E462 PolarHBondContact NZ-OE1 3.03Å; K241-E462 PolarHBondContact NZ-O 3.44Å; D458-E462 WeakPolarHBondContact O-CG 3.3Å; D458-E462 PolarHBondContact O-N 3.47Å; Y459-E462 WeakPolarHBondContact O-CB 3.21Å; Y459-E462 PolarHBondContact O-N 3.12Å; G460-E462 VanDerWaalsContact C-N 3.32Å; E462-F464 PolarHBondContact O-N 3.15Å; E462-L465 PolarHBondContact O-N 3.3Å |
| 463 | E | 97.6 | Very high | 96.6 | Very high | 26 Ų | 26 | 52 Ų | 52 | 12% | 0.121 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -27.7 | 175.2 | -70.2 | -58.4 | 155.8 | 0 | 0 | 112.8 | M218 K241 G453 R454 Y459 G460 I461 | M218-E463 HydrophobicContact CE-CB 4.27Å; K241-E463 WeakPolarHBondContact CD-O 3.4Å; K241-E463 VanDerWaalsContact CE-O 3.31Å; K241-E463 WeakPolarHBondContact CE-O 3.34Å; K241-E463 WeakPolarHBondContact CE-OE2 3.29Å; K241-E463 PolarHBondContact NZ-O 3.5Å; K241-E463 IonicContact NZ-OE2 3.4Å; G453-E463 WeakPolarHBondContact CA-OE1 3.5Å; R454-E463 PolarHBondContact N-OE1 3.43Å; R454-E463 WeakPolarHBondContact O-CG 3.46Å; Y459-E463 PolarHBondContact O-N 3Å; G460-E463 PolarHBondContact O-N 3.48Å; I461-E463 PolarHBondContact O-N 3.36Å |
| 464 | F | 98.7 | Very high | 96.7 | Very high | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 12.1 | -177.5 | -63 | -83.5 | 0 | 0 | 0 | 113.6 | A136 I137 S140 L142 A159 A160 A163 M218 G460 I461 E462 | A136-F464 CarbonylContact C-O 3.31Å; A136-F464 WeakPolarHBondContact CA-O 3.29Å; I137-F464 WeakPolarHBondContact CG2-O 3.31Å; I137-F464 PolarHBondContact N-O 3.42Å; S140-F464 WeakPolarHBondContact OG-CD1 3.26Å; L142-F464 HydrophobicContact CD2-CE1 3.85Å; L142-F464 HydrophobicContact CD2-CZ 4Å; A159-F464 HydrophobicContact CB-CD2 3.85Å; A159-F464 HydrophobicContact CB-CE2 3.64Å; A160-F464 HydrophobicContact CB-CD1 3.83Å; A160-F464 HydrophobicContact CB-CD2 4.45Å; A160-F464 HydrophobicContact CB-CE1 3.79Å; A160-F464 HydrophobicContact CB-CE2 4.42Å; A160-F464 HydrophobicContact CB-CG 4.18Å; A160-F464 HydrophobicContact CB-CZ 4.09Å; A163-F464 HydrophobicContact CB-CB 3.39Å; A163-F464 HydrophobicContact CB-CG 4.42Å; M218-F464 HydrophobicContact CE-CE1 4.23Å; M218-F464 HydrophobicContact CE-CZ 4.39Å; M218-F464 HydrophobicContact SD-CD1 4.16Å; M218-F464 HydrophobicContact SD-CE1 3.79Å; M218-F464 HydrophobicContact SD-CZ 4.47Å; G460-F464 VanDerWaalsContact O-CD2 3.27Å; G460-F464 WeakPolarHBondContact O-CD2 3.45Å; I461-F464 PolarHBondContact O-N 2.81Å; E462-F464 PolarHBondContact O-N 3.15Å |
| 465 | L | 98.6 | Very high | 96.5 | Very high | 8 Ų | 8 | 61.4 Ų | 61.4 | 4% | 0.042 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 151.9 | -177.6 | -62.5 | 171.5 | 0 | 0 | 0 | 112.7 | Y121 F123 K134 E135 A163 I461 E462 | Y121-L465 HydrophobicContact CE1-CD1 3.88Å; Y121-L465 WeakPolarHBondContact OH-CD1 3.2Å; F123-L465 HydrophobicContact CD1-CD1 4.33Å; F123-L465 HydrophobicContact CD1-CD2 4.33Å; F123-L465 HydrophobicContact CE1-CD1 3.93Å; F123-L465 HydrophobicContact CE1-CD2 3.9Å; K134-L465 HydrophobicContact CB-CB 4.32Å; K134-L465 HydrophobicContact CB-CD1 3.96Å; K134-L465 HydrophobicContact CD-CD1 4.23Å; E135-L465 CarbonylContact O-C 3.54Å; E135-L465 VanDerWaalsContact O-CA 3.31Å; E135-L465 WeakPolarHBondContact O-CA 3.4Å; A163-L465 HydrophobicContact CB-CD2 3.9Å; A163-L465 HydrophobicContact CB-CG 4.15Å; I461-L465 HydrophobicContact CG2-CD1 3.93Å; E462-L465 PolarHBondContact O-N 3.3Å |
| 466 | E | 98.3 | Very high | 96.5 | Very high | 101 Ų | 101 | 64.2 Ų | 64.2 | 47% | 0.472 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 136 | 167.2 | -73.9 | -68.3 | 175.8 | 0 | 0 | 109.7 | K134 E135 I137 | K134-E466 CarbonylContact C-O 3.52Å; K134-E466 WeakPolarHBondContact CA-O 3.47Å; E135-E466 PolarHBondContact N-O 3.05Å; E135-E466 PolarHBondContact O-N 2.92Å; I137-E466 HydrophobicContact CB-CG 4.21Å; I137-E466 HydrophobicContact CD1-CG 4.21Å; I137-E466 VanDerWaalsContact CD1-OE1 3.31Å; I137-E466 WeakPolarHBondContact CD1-OE1 3.42Å; I137-E466 HydrophobicContact CG1-CG 3.87Å |
| 467 | V | 97.9 | Very high | 96.7 | Very high | 105 Ų | 105 | 66.4 Ų | 66.4 | 64% | 0.636 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 123.2 | -179.7 | -173.8 | 0 | 0 | 0 | 0 | 109.8 | V132 K134 | V132-V467 HydrophobicContact CG1-CG1 3.61Å; K134-V467 HydrophobicContact CG-CG2 4.45Å |
| 468 | K | 98.3 | Very high | 97.2 | Very high | 86 Ų | 86 | 69.6 Ų | 69.6 | 37% | 0.374 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 132.2 | -178.2 | -178.4 | -171.3 | -60.2 | 168.6 | 0 | 110.3 | V132 V133 E135 I470 | V132-K468 CarbonylContact C-O 3.55Å; V132-K468 WeakPolarHBondContact CA-O 3.5Å; V133-K468 PolarHBondContact N-O 3.33Å; V133-K468 PolarHBondContact O-N 2.67Å; E135-K468 IonicContact OE1-NZ 3.49Å; E135-K468 PolarHBondContact OE1-NZ 2.77Å; E135-K468 IonicContact OE2-NZ 3.17Å; E135-K468 PolarHBondContact OE2-NZ 3.08Å; K468-I470 HydrophobicContact CD-CD1 4.25Å; K468-I470 HydrophobicContact CD-CG1 4.14Å; K468-I470 HydrophobicContact CG-CG1 4.24Å |
| 469 | S | 98.4 | Very high | 97.5 | Very high | 101 Ų | 101 | 69.9 Ų | 69.9 | 71% | 0.706 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 139.8 | 167.3 | 57.5 | 0 | 0 | 0 | 0 | 111.1 | L131 | L131-S469 CarbonylContact O-C 3.4Å |
| 470 | I | 98.6 | Very high | 97.7 | Very high | 59 Ų | 59 | 67.8 Ų | 67.8 | 30% | 0.303 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 98.2 | 177.5 | -48.6 | 176.3 | 0 | 0 | 0 | 107.4 | D130 L131 V133 K468 Y473 | D130-I470 WeakPolarHBondContact CA-O 3.5Å; L131-I470 HydrophobicContact CB-CB 4.47Å; L131-I470 PolarHBondContact N-O 2.71Å; L131-I470 PolarHBondContact O-N 2.87Å; V133-I470 HydrophobicContact CG2-CD1 3.94Å; K468-I470 HydrophobicContact CD-CD1 4.25Å; K468-I470 HydrophobicContact CD-CG1 4.14Å; K468-I470 HydrophobicContact CG-CG1 4.24Å; I470-Y473 HydrophobicContact CB-CD2 4.4Å; I470-Y473 HydrophobicContact CD1-CD2 4.46Å; I470-Y473 HydrophobicContact CG2-CD2 3.94Å |
| 471 | A | 98.5 | Very high | 97.8 | Very high | 87 Ų | 87 | 72.2 Ų | 72.2 | 72% | 0.719 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | 139.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D130 Y473 | D130-A471 WeakPolarHBondContact OD1-CA 3.29Å; A471-Y473 VanDerWaalsContact C-N 3.3Å; A471-Y473 PolarHBondContact O-N 3.18Å |
| 472 | G | 98.1 | Very high | 97.8 | Very high | 28 Ų | 28 | 77.4 Ų | 77.4 | 29% | 0.289 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 19.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D129 D130 F474 K475 | D129-G472 CarbonylContact O-C 3.48Å; D129-G472 VanDerWaalsContact O-C 3.31Å; D129-G472 WeakPolarHBondContact O-CA 3.3Å; D130-G472 PolarHBondContact OD1-N 3.29Å; G472-F474 PolarHBondContact O-N 2.76Å; G472-K475 PolarHBondContact O-N 2.84Å |
| 473 | Y | 98.1 | Very high | 97.9 | Very high | 123 Ų | 123 | 78.2 Ų | 78.2 | 48% | 0.482 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -33.1 | -179.3 | -171.9 | -89.6 | 0 | 0 | 0 | 113.4 | D129 L131 I470 A471 | D129-Y473 PolarHBondContact O-N 2.76Å; L131-Y473 HydrophobicContact CB-CD1 4.07Å; L131-Y473 HydrophobicContact CB-CD2 4.29Å; L131-Y473 HydrophobicContact CB-CG 3.79Å; L131-Y473 HydrophobicContact CD2-CD1 3.91Å; L131-Y473 HydrophobicContact CD2-CD2 3.93Å; L131-Y473 HydrophobicContact CD2-CE1 3.81Å; L131-Y473 HydrophobicContact CD2-CE2 3.81Å; L131-Y473 HydrophobicContact CD2-CG 3.97Å; I470-Y473 HydrophobicContact CB-CD2 4.4Å; I470-Y473 HydrophobicContact CD1-CD2 4.46Å; I470-Y473 HydrophobicContact CG2-CD2 3.94Å; A471-Y473 VanDerWaalsContact C-N 3.3Å; A471-Y473 PolarHBondContact O-N 3.18Å |
| 474 | F | 97.5 | Very high | 97.9 | Very high | 80 Ų | 80 | 82.5 Ų | 82.5 | 35% | 0.351 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | 6.2 | -178.5 | -58 | -74 | 0 | 0 | 0 | 114.3 | R126 D129 L131 G472 | R126-F474 HydrophobicContact CB-CE2 3.82Å; R126-F474 HydrophobicContact CB-CZ 4.24Å; R126-F474 HydrophobicContact CG-CD2 3.83Å; R126-F474 HydrophobicContact CG-CE2 3.47Å; R126-F474 VanDerWaalsContact CG-CE2 3.47Å; R126-F474 HydrophobicContact CG-CZ 4.19Å; D129-F474 PolarHBondContact O-N 2.95Å; L131-F474 HydrophobicContact CB-CE2 4.1Å; L131-F474 HydrophobicContact CD1-CE2 4.1Å; L131-F474 HydrophobicContact CD1-CZ 4.05Å; G472-F474 PolarHBondContact O-N 2.76Å |
| 475 | K | 93.9 | Very high | 97.8 | Very high | 208 Ų | 208 | 89.6 Ų | 89.6 | 90% | 0.904 | 48% | 0.48 | S | S | * | . | trans | -74.7 | 0 | 169.3 | -70.3 | -167.5 | 177.2 | 175.8 | 0 | 110.1 | D129 G472 | D129-K475 HydrophobicContact CB-CG 3.71Å; D129-K475 WeakPolarHBondContact OD2-CE 3.32Å; G472-K475 PolarHBondContact O-N 2.84Å |
Retrieved 475 of 475 residues in 1043.7 ms
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