| 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 | 81.4 | Confident | 92.9 | Very high | 109 Ų | 109 | 54.1 Ų | 54.1 | 54% | 0.537 | 26% | 0.264 | S | S | . | . | 0 | 137.8 | 0 | -177 | 174.5 | 86.6 | 0 | 0 | 108.4 | V3 H11 I12 P208 | M1-V3 HydrophobicContact CE-CG2 3.49Å; M1-V3 VanDerWaalsContact CE-CG2 3.49Å; M1-V3 HydrophobicContact CG-CG2 4.08Å; M1-V3 HydrophobicContact SD-CG2 4.23Å; M1-H11 CarbonylContact O-C 3.45Å; M1-H11 WeakPolarHBondContact O-CA 3.42Å; M1-I12 HydrophobicContact CE-CD1 3.82Å; M1-I12 PolarHBondContact N-O 2.96Å; M1-I12 PolarHBondContact O-N 3.41Å; M1-P208 HydrophobicContact CE-CG 4.18Å | |||
| 2 | Q | 89.6 | Confident | 93.3 | Very high | 128 Ų | 128 | 50.2 Ų | 50.2 | 60% | 0.598 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 130.4 | 171.5 | 178.3 | 178.4 | -20.7 | 0 | 0 | 109 | T9 V10 H11 | Q2-T9 HydrophobicContact CG-CG2 3.93Å; Q2-V10 CarbonylContact C-O 3.55Å; Q2-V10 VanDerWaalsContact CA-O 3.28Å; Q2-V10 WeakPolarHBondContact CA-O 3.3Å; Q2-H11 VanDerWaalsContact CG-CE1 3.42Å; Q2-H11 WeakPolarHBondContact CG-CE1 3.47Å; Q2-H11 PolarHBondContact OE1-CE1 3.19Å |
| 3 | V | 91.3 | Very high | 93.7 | Very high | 50 Ų | 50 | 50.1 Ų | 50.1 | 30% | 0.303 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 124.7 | 174.8 | -175.1 | 0 | 0 | 0 | 0 | 108.4 | M1 H5 V10 | M1-V3 HydrophobicContact CE-CG2 3.49Å; M1-V3 VanDerWaalsContact CE-CG2 3.49Å; M1-V3 HydrophobicContact CG-CG2 4.08Å; M1-V3 HydrophobicContact SD-CG2 4.23Å; V3-H5 WeakPolarHBondContact CG1-NE2 3.22Å; V3-V10 PolarHBondContact N-O 2.77Å; V3-V10 PolarHBondContact O-N 3.09Å |
| 4 | D | 89.7 | Confident | 93.9 | Very high | 72 Ų | 72 | 53.6 Ų | 53.6 | 39% | 0.385 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 123.4 | 176.8 | -160.5 | 25 | 0 | 0 | 0 | 109.8 | T9 K241 | D4-T9 PolarHBondContact OD1-OG1 3.15Å; D4-K241 IonicContact OD2-NZ 2.99Å; D4-K241 PolarHBondContact OD2-NZ 2.94Å |
| 5 | H | 91.1 | Very high | 93.9 | Very high | 48 Ų | 48 | 52.6 Ų | 52.6 | 22% | 0.222 | 26% | 0.256 | C | S | . | . | trans | -113.2 | 164.9 | 172.4 | -56.9 | -101.6 | 0 | 0 | 0 | 109.5 | V3 Y7 Y8 I205 | V3-H5 WeakPolarHBondContact CG1-NE2 3.22Å; H5-Y7 VanDerWaalsContact C-N 3.27Å; H5-Y7 PolarHBondContact O-N 3.39Å; H5-Y8 CarbonylContact C-O 3.57Å; H5-Y8 VanDerWaalsContact CA-O 3.28Å; H5-Y8 WeakPolarHBondContact CA-O 3.39Å; H5-Y8 WeakPolarHBondContact CB-O 3.24Å; H5-Y8 PolarHBondContact N-O 2.96Å; H5-Y8 VanDerWaalsContact O-O 3.06Å; H5-I205 HydrophobicContact CB-CD1 4.13Å | ||
| 6 | K | 91.6 | Very high | 94 | Very high | 114 Ų | 114 | 58.5 Ų | 58.5 | 50% | 0.496 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -54.9 | -41.4 | -177.3 | -67.3 | -172.9 | 175.7 | -170 | 0 | 113.7 | F243 | K6-F243 HydrophobicContact CB-CZ 4.02Å; K6-F243 VanDerWaalsContact O-CE2 3.28Å; K6-F243 WeakPolarHBondContact O-CE2 3.29Å |
| 7 | Y | 96.1 | Very high | 94.1 | Very high | 17 Ų | 17 | 58.1 Ų | 58.1 | 7% | 0.067 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -104.6 | -18.6 | -173.2 | -61.1 | -90.8 | 0 | 0 | 0 | 113.8 | H5 Y65 Y202 H203 S223 V225 F243 L265 | H5-Y7 VanDerWaalsContact C-N 3.27Å; H5-Y7 PolarHBondContact O-N 3.39Å; Y7-Y65 AromaticContact CD1-CD1 3.55Å; Y7-Y65 HydrophobicContact CD1-CD1 3.55Å; Y7-Y65 HydrophobicContact CD1-CE1 4.24Å; Y7-Y65 HydrophobicContact CD1-CG 4.44Å; Y7-Y65 AromaticContact CD2-CD1 3.8Å; Y7-Y65 HydrophobicContact CD2-CD1 3.8Å; Y7-Y65 AromaticContact CD2-CE1 3.66Å; Y7-Y65 HydrophobicContact CD2-CE1 3.66Å; Y7-Y65 HydrophobicContact CE1-CD1 4.12Å; Y7-Y65 HydrophobicContact CE2-CD1 4.31Å; Y7-Y65 HydrophobicContact CE2-CE1 4.34Å; Y7-Y65 AromaticContact CG-CD1 3.4Å; Y7-Y65 HydrophobicContact CG-CD1 3.4Å; Y7-Y65 AromaticContact CG-CE1 3.62Å; Y7-Y65 HydrophobicContact CG-CE1 3.62Å; Y7-Y202 HydrophobicContact CE1-CE2 4.28Å; Y7-Y202 HydrophobicContact CE2-CD2 4.44Å; Y7-Y202 HydrophobicContact CE2-CE2 4.05Å; Y7-Y202 AromaticContact CZ-CE2 3.73Å; Y7-H203 HydrophobicContact CD2-CB 4.19Å; Y7-H203 AromaticContact CD2-CD2 3.55Å; Y7-H203 AromaticContact CD2-CE1 3.98Å; Y7-H203 AromaticContact CD2-CG 3.66Å; Y7-H203 AromaticContact CD2-ND1 3.95Å; Y7-H203 AromaticContact CD2-NE2 3.76Å; Y7-H203 HydrophobicContact CE2-CB 4Å; Y7-H203 AromaticContact CE2-CD2 3.7Å; Y7-H203 AromaticContact CE2-CG 3.86Å; Y7-S223 WeakPolarHBondContact O-CB 3.48Å; Y7-S223 PolarHBondContact O-N 3.39Å; Y7-V225 HydrophobicContact CD1-CG1 3.66Å; Y7-V225 HydrophobicContact CE1-CG1 4.18Å; Y7-F243 AromaticContact CD1-CZ 3.94Å; Y7-F243 HydrophobicContact CD1-CZ 3.94Å; Y7-F243 HydrophobicContact CD2-CZ 4.49Å; Y7-F243 HydrophobicContact CE1-CE1 4.07Å; Y7-F243 AromaticContact CE1-CZ 3.62Å; Y7-F243 HydrophobicContact CE1-CZ 3.62Å; Y7-F243 HydrophobicContact CE2-CZ 4.24Å; Y7-F243 HydrophobicContact CG-CZ 4.33Å; Y7-F243 AromaticContact CZ-CE1 3.96Å; Y7-F243 AromaticContact CZ-CZ 3.78Å; Y7-L265 PolarHBondContact OH-O 3.02Å |
| 8 | Y | 97.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 62.1 Ų | 62.1 | 0% | 0.004 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 150.7 | -173.5 | -67.5 | -85.8 | 0 | 0 | 0 | 111 | H5 Y65 I151 L176 I205 I220 R221 A222 | H5-Y8 CarbonylContact C-O 3.57Å; H5-Y8 VanDerWaalsContact CA-O 3.28Å; H5-Y8 WeakPolarHBondContact CA-O 3.39Å; H5-Y8 WeakPolarHBondContact CB-O 3.24Å; H5-Y8 PolarHBondContact N-O 2.96Å; H5-Y8 VanDerWaalsContact O-O 3.06Å; Y8-Y65 HydrophobicContact CD2-CE1 4.36Å; Y8-Y65 HydrophobicContact CD2-CE2 4.36Å; Y8-Y65 HydrophobicContact CE2-CD1 4.19Å; Y8-Y65 AromaticContact CE2-CD2 3.68Å; Y8-Y65 HydrophobicContact CE2-CD2 3.68Å; Y8-Y65 HydrophobicContact CE2-CE1 4.04Å; Y8-Y65 AromaticContact CE2-CE2 3.54Å; Y8-Y65 HydrophobicContact CE2-CE2 3.54Å; Y8-Y65 HydrophobicContact CE2-CG 4.01Å; Y8-Y65 AromaticContact CE2-CZ 3.74Å; Y8-Y65 PolarHBondContact OH-N 2.92Å; Y8-I151 HydrophobicContact CE1-CD1 4.26Å; Y8-L176 HydrophobicContact CD2-CD1 4.04Å; Y8-L176 HydrophobicContact CE2-CD1 4.04Å; Y8-L176 HydrophobicContact CG-CD1 4.32Å; Y8-I205 HydrophobicContact CD2-CD1 4.07Å; Y8-I205 HydrophobicContact CG-CD1 4.28Å; Y8-I220 HydrophobicContact CD1-CG2 3.65Å; Y8-I220 HydrophobicContact CG-CG2 3.84Å; Y8-R221 CarbonylContact C-O 3.59Å; Y8-R221 WeakPolarHBondContact CA-O 3.44Å; Y8-R221 WeakPolarHBondContact CD1-O 3.43Å; Y8-A222 HydrophobicContact CD1-CB 4.22Å; Y8-A222 HydrophobicContact CE1-CB 3.9Å |
| 9 | T | 97.5 | Very high | 94.3 | Very high | 22 Ų | 22 | 61.9 Ų | 61.9 | 14% | 0.135 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 125.8 | 166.3 | -52.4 | 0 | 0 | 0 | 0 | 109.2 | Q2 D4 R221 | Q2-T9 HydrophobicContact CG-CG2 3.93Å; D4-T9 PolarHBondContact OD1-OG1 3.15Å; T9-R221 PolarHBondContact N-O 2.97Å; T9-R221 PolarHBondContact O-N 3.27Å |
| 10 | V | 98.2 | Very high | 94.5 | Very high | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.018 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 126.4 | -177.8 | 178.1 | 0 | 0 | 0 | 0 | 109.9 | Q2 V3 I12 I205 I207 V218 I220 | Q2-V10 CarbonylContact C-O 3.55Å; Q2-V10 VanDerWaalsContact CA-O 3.28Å; Q2-V10 WeakPolarHBondContact CA-O 3.3Å; V3-V10 PolarHBondContact N-O 2.77Å; V3-V10 PolarHBondContact O-N 3.09Å; V10-I12 HydrophobicContact CG1-CG1 4.08Å; V10-I205 HydrophobicContact CG2-CD1 4.26Å; V10-I205 HydrophobicContact CG2-CG2 3.87Å; V10-I207 HydrophobicContact CG1-CD1 3.69Å; V10-I207 HydrophobicContact CG2-CD1 4.44Å; V10-V218 HydrophobicContact CG1-CG1 3.91Å; V10-I220 HydrophobicContact CG2-CG1 4.32Å; V10-I220 HydrophobicContact CG2-CG2 4.12Å |
| 11 | H | 97.9 | Very high | 94.6 | Very high | 31 Ų | 31 | 64.8 Ų | 64.8 | 14% | 0.144 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 120.8 | 171.7 | -60.6 | -95.1 | 0 | 0 | 0 | 110.4 | M1 Q2 F13 V218 D219 | M1-H11 CarbonylContact O-C 3.45Å; M1-H11 WeakPolarHBondContact O-CA 3.42Å; Q2-H11 VanDerWaalsContact CG-CE1 3.42Å; Q2-H11 WeakPolarHBondContact CG-CE1 3.47Å; Q2-H11 PolarHBondContact OE1-CE1 3.19Å; H11-F13 HydrophobicContact CB-CE2 4.3Å; H11-F13 HydrophobicContact CB-CZ 4.38Å; H11-V218 CarbonylContact O-C 3.54Å; H11-V218 WeakPolarHBondContact O-CA 3.47Å; H11-D219 HydrophobicContact CB-CB 4.25Å; H11-D219 PolarHBondContact N-O 2.86Å; H11-D219 PolarHBondContact O-N 2.66Å |
| 12 | I | 98.1 | Very high | 95.3 | Very high | 7 Ų | 7 | 65 Ų | 65 | 4% | 0.036 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 119.2 | 176.5 | -50.8 | 174.4 | 0 | 0 | 0 | 109.1 | M1 V10 I207 E211 T216 V218 | M1-I12 HydrophobicContact CE-CD1 3.82Å; M1-I12 PolarHBondContact N-O 2.96Å; M1-I12 PolarHBondContact O-N 3.41Å; V10-I12 HydrophobicContact CG1-CG1 4.08Å; I12-I207 HydrophobicContact CD1-CG2 3.78Å; I12-E211 HydrophobicContact CD1-CB 4.21Å; I12-E211 HydrophobicContact CD1-CG 4.31Å; I12-E211 HydrophobicContact CG2-CB 4.2Å; I12-T216 HydrophobicContact CG2-CG2 4Å; I12-V218 HydrophobicContact CG1-CG1 4.36Å; I12-V218 HydrophobicContact CG1-CG2 4.38Å; I12-V218 HydrophobicContact CG2-CG2 4.38Å |
| 13 | F | 97.8 | Very high | 95.7 | Very high | 49 Ų | 49 | 60 Ų | 60 | 22% | 0.215 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 120.1 | 170.9 | -55.8 | -78.3 | 0 | 0 | 0 | 109.4 | H11 A17 K19 Y23 T216 V217 D219 | H11-F13 HydrophobicContact CB-CE2 4.3Å; H11-F13 HydrophobicContact CB-CZ 4.38Å; F13-A17 HydrophobicContact CB-CB 4.26Å; F13-K19 HydrophobicContact CB-CB 4.09Å; F13-K19 HydrophobicContact CB-CG 4.11Å; F13-K19 HydrophobicContact CD1-CG 3.83Å; F13-K19 HydrophobicContact CD2-CG 4.42Å; F13-K19 HydrophobicContact CE1-CG 4.36Å; F13-K19 HydrophobicContact CG-CB 4.18Å; F13-K19 HydrophobicContact CG-CG 3.86Å; F13-Y23 HydrophobicContact CE2-CE2 4.39Å; F13-Y23 AromaticContact CE2-CZ 3.99Å; F13-Y23 WeakPolarHBondContact CE2-OH 3.2Å; F13-T216 WeakPolarHBondContact O-CA 3.31Å; F13-V217 HydrophobicContact CB-CB 4.23Å; F13-V217 HydrophobicContact CD2-CB 4.19Å; F13-V217 HydrophobicContact CD2-CG1 4.21Å; F13-V217 PolarHBondContact N-O 3.33Å; F13-V217 PolarHBondContact O-N 2.83Å; F13-D219 HydrophobicContact CE2-CB 3.93Å |
| 14 | K | 96.1 | Very high | 96.1 | Very high | 99 Ų | 99 | 59.8 Ų | 59.8 | 43% | 0.43 | 30% | 0.295 | S | S | . | . | trans | -73.3 | 159.6 | 173.2 | -59 | -170.3 | 169.8 | -171 | 0 | 110.4 | E16 A17 E211 | K14-E16 WeakPolarHBondContact CB-OE2 3.36Å; K14-E16 PolarHBondContact O-N 3.2Å; K14-E16 VanDerWaalsContact O-N 3.09Å; K14-A17 VanDerWaalsContact O-CB 3.31Å; K14-A17 WeakPolarHBondContact O-CB 3.38Å; K14-A17 PolarHBondContact O-N 3.45Å; K14-E211 WeakPolarHBondContact CE-OE1 3.36Å; K14-E211 WeakPolarHBondContact CE-OE2 3.31Å; K14-E211 IonicContact NZ-OE1 3.75Å; K14-E211 PolarHBondContact NZ-OE1 3.2Å; K14-E211 IonicContact NZ-OE2 3.39Å | ||
| 15 | P | 95.2 | Very high | 96.4 | Very high | 39 Ų | 39 | 58.2 Ų | 58.2 | 25% | 0.253 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -52.4 | -34.5 | -179 | -27.8 | 36.1 | 0 | 0 | 0 | 113.8 | A17 N18 S214 | P15-A17 PolarHBondContact O-N 3.31Å; P15-A17 VanDerWaalsContact O-N 3.15Å; P15-N18 PolarHBondContact O-N 3.02Å; P15-S214 WeakPolarHBondContact CG-O 3.44Å |
| 16 | E | 95 | Very high | 96.7 | Very high | 147 Ų | 147 | 57.9 Ų | 57.9 | 69% | 0.687 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -64.5 | -19.4 | -179.4 | -55.3 | 78 | -168.5 | 0 | 0 | 113.3 | K14 N18 | K14-E16 WeakPolarHBondContact CB-OE2 3.36Å; K14-E16 PolarHBondContact O-N 3.2Å; K14-E16 VanDerWaalsContact O-N 3.09Å; E16-N18 PolarHBondContact O-N 3.2Å |
| 17 | A | 95.2 | Very high | 96.9 | Very high | 51 Ų | 51 | 52.5 Ų | 52.5 | 42% | 0.421 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -75.4 | -7.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | F13 K14 P15 K19 | F13-A17 HydrophobicContact CB-CB 4.26Å; K14-A17 VanDerWaalsContact O-CB 3.31Å; K14-A17 WeakPolarHBondContact O-CB 3.38Å; K14-A17 PolarHBondContact O-N 3.45Å; P15-A17 PolarHBondContact O-N 3.31Å; P15-A17 VanDerWaalsContact O-N 3.15Å; A17-K19 HydrophobicContact CB-CG 4.17Å; A17-K19 PolarHBondContact O-N 2.86Å; A17-K19 VanDerWaalsContact O-N 3.1Å |
| 18 | N | 95.2 | Very high | 96.9 | Very high | 130 Ų | 130 | 54.2 Ų | 54.2 | 70% | 0.695 | 28% | 0.279 | S | S | * | . | trans | 54.1 | 27.6 | 178.6 | -64.2 | -49 | 0 | 0 | 0 | 114.8 | P15 E16 | P15-N18 PolarHBondContact O-N 3.02Å; E16-N18 PolarHBondContact O-N 3.2Å | ||
| 19 | K | 97.1 | Very high | 96.8 | Very high | 60 Ų | 60 | 60.1 Ų | 60.1 | 26% | 0.261 | 31% | 0.305 | S | S | . | . | trans | -79.9 | -14 | -179.3 | -69.9 | -55.5 | -167.8 | 177 | 0 | 114.6 | F13 A17 N21 E22 Y23 V217 | F13-K19 HydrophobicContact CB-CB 4.09Å; F13-K19 HydrophobicContact CB-CG 4.11Å; F13-K19 HydrophobicContact CD1-CG 3.83Å; F13-K19 HydrophobicContact CD2-CG 4.42Å; F13-K19 HydrophobicContact CE1-CG 4.36Å; F13-K19 HydrophobicContact CG-CB 4.18Å; F13-K19 HydrophobicContact CG-CG 3.86Å; A17-K19 HydrophobicContact CB-CG 4.17Å; A17-K19 PolarHBondContact O-N 2.86Å; A17-K19 VanDerWaalsContact O-N 3.1Å; K19-N21 VanDerWaalsContact C-N 3.35Å; K19-N21 PolarHBondContact O-N 3.1Å; K19-E22 VanDerWaalsContact CD-OE1 3.3Å; K19-E22 WeakPolarHBondContact CD-OE1 3.04Å; K19-E22 WeakPolarHBondContact CD-OE2 3.38Å; K19-E22 IonicContact NZ-OE1 2.72Å; K19-E22 PolarHBondContact NZ-OE1 2.99Å; K19-E22 IonicContact NZ-OE2 3.24Å; K19-E22 PolarHBondContact NZ-OE2 3.05Å; K19-E22 WeakPolarHBondContact O-CB 3.2Å; K19-E22 PolarHBondContact O-N 3.24Å; K19-Y23 HydrophobicContact CB-CD2 4.22Å; K19-Y23 HydrophobicContact CB-CE2 4.21Å; K19-Y23 WeakPolarHBondContact O-CD2 3.17Å; K19-Y23 PolarHBondContact O-N 3.09Å; K19-V217 HydrophobicContact CB-CG2 4.39Å | ||
| 20 | F | 97.8 | Very high | 96.6 | Very high | 43 Ų | 43 | 60.2 Ų | 60.2 | 19% | 0.189 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -49.3 | -49.5 | -174.4 | -179.1 | -90.8 | 0 | 0 | 0 | 113.8 | E22 Y23 W24 V154 Y155 K156 | F20-E22 VanDerWaalsContact C-N 3.28Å; F20-E22 PolarHBondContact O-N 2.93Å; F20-Y23 PolarHBondContact O-N 3Å; F20-W24 HydrophobicContact CD1-CB 4.19Å; F20-W24 HydrophobicContact CE1-CB 3.78Å; F20-W24 HydrophobicContact CE1-CD2 4.06Å; F20-W24 HydrophobicContact CE1-CE3 4.34Å; F20-W24 AromaticContact CE1-CG 3.81Å; F20-W24 HydrophobicContact CE1-CG 3.81Å; F20-W24 HydrophobicContact CE2-CB 4.47Å; F20-W24 HydrophobicContact CE2-CD2 4.22Å; F20-W24 AromaticContact CE2-CE3 3.67Å; F20-W24 HydrophobicContact CE2-CE3 3.67Å; F20-W24 HydrophobicContact CE2-CZ3 4.32Å; F20-W24 HydrophobicContact CZ-CB 3.94Å; F20-W24 AromaticContact CZ-CD2 3.51Å; F20-W24 HydrophobicContact CZ-CD2 3.51Å; F20-W24 AromaticContact CZ-CE3 3.39Å; F20-W24 HydrophobicContact CZ-CE3 3.39Å; F20-W24 AromaticContact CZ-CG 3.76Å; F20-W24 HydrophobicContact CZ-CG 3.76Å; F20-W24 HydrophobicContact CZ-CZ3 4.13Å; F20-W24 VanDerWaalsContact O-CB 3.31Å; F20-W24 WeakPolarHBondContact O-CB 3.39Å; F20-W24 PolarHBondContact O-N 2.7Å; F20-V154 HydrophobicContact CD2-CG1 3.74Å; F20-V154 HydrophobicContact CE2-CG1 3.68Å; F20-Y155 WeakPolarHBondContact CE2-O 3.31Å; F20-K156 HydrophobicContact CE2-CB 3.98Å; F20-K156 HydrophobicContact CE2-CG 4.5Å; F20-K156 HydrophobicContact CZ-CB 3.84Å; F20-K156 HydrophobicContact CZ-CG 3.95Å |
| 21 | N | 96.7 | Very high | 96.5 | Very high | 141 Ų | 141 | 62.1 Ų | 62.1 | 75% | 0.754 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -69.6 | -21.8 | -176.7 | -68.6 | -32.7 | 0 | 0 | 0 | 114 | K19 | K19-N21 VanDerWaalsContact C-N 3.35Å; K19-N21 PolarHBondContact O-N 3.1Å |
| 22 | E | 97.2 | Very high | 96.1 | Very high | 114 Ų | 114 | 68.4 Ų | 68.4 | 53% | 0.533 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -74.9 | -29.8 | 176.1 | -62.6 | 175.3 | -150.3 | 0 | 0 | 111.2 | K19 F20 | K19-E22 VanDerWaalsContact CD-OE1 3.3Å; K19-E22 WeakPolarHBondContact CD-OE1 3.04Å; K19-E22 WeakPolarHBondContact CD-OE2 3.38Å; K19-E22 IonicContact NZ-OE1 2.72Å; K19-E22 PolarHBondContact NZ-OE1 2.99Å; K19-E22 IonicContact NZ-OE2 3.24Å; K19-E22 PolarHBondContact NZ-OE2 3.05Å; K19-E22 WeakPolarHBondContact O-CB 3.2Å; K19-E22 PolarHBondContact O-N 3.24Å; F20-E22 VanDerWaalsContact C-N 3.28Å; F20-E22 PolarHBondContact O-N 2.93Å |
| 23 | Y | 98.3 | Very high | 95.5 | Very high | 22 Ų | 22 | 75.1 Ų | 75.1 | 9% | 0.086 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -103.8 | -30.9 | -173.2 | -73.5 | -104.9 | 0 | 0 | 0 | 113.4 | F13 K19 F20 Q25 W152 V217 D219 | F13-Y23 HydrophobicContact CE2-CE2 4.39Å; F13-Y23 AromaticContact CE2-CZ 3.99Å; F13-Y23 WeakPolarHBondContact CE2-OH 3.2Å; K19-Y23 HydrophobicContact CB-CD2 4.22Å; K19-Y23 HydrophobicContact CB-CE2 4.21Å; K19-Y23 WeakPolarHBondContact O-CD2 3.17Å; K19-Y23 PolarHBondContact O-N 3.09Å; F20-Y23 PolarHBondContact O-N 3Å; Y23-Q25 PolarHBondContact O-N 3.45Å; Y23-Q25 PolarHBondContact O-NE2 3Å; Y23-Q25 VanDerWaalsContact O-NE2 3.08Å; Y23-W152 HydrophobicContact CD1-CB 4.38Å; Y23-W152 AromaticContact CD1-CD2 3.36Å; Y23-W152 HydrophobicContact CD1-CD2 3.36Å; Y23-W152 AromaticContact CD1-CE2 3.57Å; Y23-W152 AromaticContact CD1-CE3 3.55Å; Y23-W152 HydrophobicContact CD1-CE3 3.55Å; Y23-W152 AromaticContact CD1-CG 3.75Å; Y23-W152 HydrophobicContact CD1-CG 3.75Å; Y23-W152 HydrophobicContact CD1-CH2 4.12Å; Y23-W152 AromaticContact CD1-CZ2 3.97Å; Y23-W152 HydrophobicContact CD1-CZ2 3.97Å; Y23-W152 AromaticContact CD1-CZ3 3.93Å; Y23-W152 HydrophobicContact CD1-CZ3 3.93Å; Y23-W152 AromaticContact CE1-CD2 3.81Å; Y23-W152 HydrophobicContact CE1-CD2 3.81Å; Y23-W152 AromaticContact CE1-CE2 3.51Å; Y23-W152 HydrophobicContact CE1-CE3 4.34Å; Y23-W152 HydrophobicContact CE1-CG 4.12Å; Y23-W152 HydrophobicContact CE1-CH2 4.35Å; Y23-W152 AromaticContact CE1-CZ2 3.82Å; Y23-W152 HydrophobicContact CE1-CZ2 3.82Å; Y23-W152 AromaticContact CE1-NE1 3.67Å; Y23-W152 HydrophobicContact CG-CD2 4.45Å; Y23-W152 HydrophobicContact CG-CE3 4.26Å; Y23-W152 HydrophobicContact CG-CZ3 4.42Å; Y23-V217 HydrophobicContact CD1-CG1 3.54Å; Y23-V217 HydrophobicContact CD2-CG1 3.93Å; Y23-V217 HydrophobicContact CE1-CG1 4.01Å; Y23-V217 HydrophobicContact CE2-CG1 4.36Å; Y23-V217 HydrophobicContact CG-CG1 3.51Å; Y23-D219 HydrophobicContact CE1-CB 3.93Å; Y23-D219 PolarHBondContact OH-OD2 2.81Å |
| 24 | W | 98.3 | Very high | 94.6 | Very high | 46 Ų | 46 | 76.1 Ų | 76.1 | 17% | 0.174 | 38% | 0.382 | C | S | . | . | trans | -67.3 | 127.6 | -178.5 | -177.1 | -91 | 0 | 0 | 0 | 112.3 | F20 E125 T140 Q142 V154 K156 | F20-W24 HydrophobicContact CD1-CB 4.19Å; F20-W24 HydrophobicContact CE1-CB 3.78Å; F20-W24 HydrophobicContact CE1-CD2 4.06Å; F20-W24 HydrophobicContact CE1-CE3 4.34Å; F20-W24 AromaticContact CE1-CG 3.81Å; F20-W24 HydrophobicContact CE1-CG 3.81Å; F20-W24 HydrophobicContact CE2-CB 4.47Å; F20-W24 HydrophobicContact CE2-CD2 4.22Å; F20-W24 AromaticContact CE2-CE3 3.67Å; F20-W24 HydrophobicContact CE2-CE3 3.67Å; F20-W24 HydrophobicContact CE2-CZ3 4.32Å; F20-W24 HydrophobicContact CZ-CB 3.94Å; F20-W24 AromaticContact CZ-CD2 3.51Å; F20-W24 HydrophobicContact CZ-CD2 3.51Å; F20-W24 AromaticContact CZ-CE3 3.39Å; F20-W24 HydrophobicContact CZ-CE3 3.39Å; F20-W24 AromaticContact CZ-CG 3.76Å; F20-W24 HydrophobicContact CZ-CG 3.76Å; F20-W24 HydrophobicContact CZ-CZ3 4.13Å; F20-W24 VanDerWaalsContact O-CB 3.31Å; F20-W24 WeakPolarHBondContact O-CB 3.39Å; F20-W24 PolarHBondContact O-N 2.7Å; W24-E125 HydrophobicContact CH2-CG 4.27Å; W24-T140 HydrophobicContact CH2-CG2 3.99Å; W24-Q142 HydrophobicContact CE3-CB 4.47Å; W24-Q142 HydrophobicContact CE3-CG 4.06Å; W24-Q142 HydrophobicContact CH2-CG 3.61Å; W24-Q142 HydrophobicContact CZ2-CG 4.22Å; W24-Q142 VanDerWaalsContact CZ2-NE2 3.34Å; W24-Q142 HydrophobicContact CZ3-CB 4.09Å; W24-Q142 HydrophobicContact CZ3-CG 3.52Å; W24-V154 HydrophobicContact CB-CG1 4.21Å; W24-V154 HydrophobicContact CE3-CB 4.13Å; W24-V154 HydrophobicContact CE3-CG1 3.69Å; W24-K156 HydrophobicContact CE3-CB 4.29Å; W24-K156 HydrophobicContact CH2-CB 3.78Å; W24-K156 HydrophobicContact CH2-CD 3.83Å; W24-K156 HydrophobicContact CH2-CG 4.42Å; W24-K156 HydrophobicContact CZ2-CD 3.84Å; W24-K156 HydrophobicContact CZ3-CB 3.64Å; W24-K156 HydrophobicContact CZ3-CD 4.43Å | ||
| 25 | Q | 97.4 | Very high | 94 | Very high | 39 Ų | 39 | 76.7 Ų | 76.7 | 18% | 0.182 | 41% | 0.405 | C | S | . | . | trans | -108.5 | 118.1 | -178.4 | -58.7 | -54 | -44.6 | 0 | 0 | 110.7 | Y23 I27 L30 M121 V123 Q142 | Y23-Q25 PolarHBondContact O-N 3.45Å; Y23-Q25 PolarHBondContact O-NE2 3Å; Y23-Q25 VanDerWaalsContact O-NE2 3.08Å; Q25-I27 PolarHBondContact O-N 3.15Å; Q25-L30 HydrophobicContact CB-CD1 4.1Å; Q25-M121 HydrophobicContact CB-CE 4.28Å; Q25-M121 HydrophobicContact CG-CE 3.67Å; Q25-M121 HydrophobicContact CG-SD 4.35Å; Q25-V123 HydrophobicContact CB-CG1 4.14Å; Q25-V123 HydrophobicContact CB-CG2 3.89Å; Q25-V123 HydrophobicContact CG-CG2 3.95Å; Q25-Q142 VanDerWaalsContact N-OE1 3.1Å; Q25-Q142 PolarHBondContact O-NE2 2.91Å; Q25-Q142 PolarHBondContact O-OE1 3.23Å | ||
| 26 | S | 96.6 | Very high | 93.7 | Very high | 41 Ų | 41 | 79.6 Ų | 79.6 | 29% | 0.287 | 42% | 0.422 | S | S | . | . | trans | -77.1 | 95.7 | 175.9 | -177.3 | 0 | 0 | 0 | 0 | 110.5 | K29 L30 | S26-K29 WeakPolarHBondContact O-CB 3.5Å; S26-K29 PolarHBondContact O-N 2.95Å; S26-K29 WeakPolarHBondContact OG-CG 3.45Å; S26-L30 PolarHBondContact O-N 3.45Å | ||
| 27 | I | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -51.8 | -45.8 | 179.1 | -71.1 | 166.5 | 0 | 0 | 0 | 112.7 | Q25 K29 L30 L31 L114 A116 V123 E125 | Q25-I27 PolarHBondContact O-N 3.15Å; I27-K29 VanDerWaalsContact C-N 3.28Å; I27-K29 PolarHBondContact O-N 3.28Å; I27-L30 PolarHBondContact O-N 2.77Å; I27-L30 VanDerWaalsContact O-N 3.15Å; I27-L31 HydrophobicContact CG2-CD1 3.83Å; I27-L31 HydrophobicContact CG2-CG 4.33Å; I27-L31 WeakPolarHBondContact O-CG 3.37Å; I27-L31 PolarHBondContact O-N 3.48Å; I27-L114 HydrophobicContact CB-CD1 3.87Å; I27-L114 HydrophobicContact CB-CG 4.47Å; I27-L114 HydrophobicContact CD1-CD1 4.12Å; I27-L114 HydrophobicContact CD1-CG 3.82Å; I27-L114 HydrophobicContact CG2-CD1 3.79Å; I27-L114 HydrophobicContact CG2-CG 4.29Å; I27-A116 HydrophobicContact CG1-CB 4.29Å; I27-A116 HydrophobicContact CG2-CB 4.07Å; I27-V123 HydrophobicContact CD1-CB 4.36Å; I27-V123 HydrophobicContact CD1-CG1 4Å; I27-V123 HydrophobicContact CG1-CB 4.28Å; I27-V123 HydrophobicContact CG1-CG1 4.12Å; I27-E125 HydrophobicContact CD1-CB 3.75Å |
| 28 | P | 95.1 | Very high | 93.5 | Very high | 54 Ų | 54 | 78.1 Ų | 78.1 | 35% | 0.351 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.5 | -37.6 | 176.2 | -26.8 | 35.8 | 0 | 0 | 0 | 113.6 | Q32 | P28-Q32 VanDerWaalsContact O-CG 3.24Å; P28-Q32 WeakPolarHBondContact O-CG 3.46Å; P28-Q32 PolarHBondContact O-N 3.47Å |
| 29 | K | 94.8 | Very high | 93.5 | Very high | 125 Ų | 125 | 73.3 Ų | 73.3 | 54% | 0.543 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -70.9 | -41.2 | 176.1 | -67.6 | -178.3 | -176.6 | 178.8 | 0 | 111.4 | S26 I27 L31 Q32 Q33 | S26-K29 WeakPolarHBondContact O-CB 3.5Å; S26-K29 PolarHBondContact O-N 2.95Å; S26-K29 WeakPolarHBondContact OG-CG 3.45Å; I27-K29 VanDerWaalsContact C-N 3.28Å; I27-K29 PolarHBondContact O-N 3.28Å; K29-L31 VanDerWaalsContact C-N 3.31Å; K29-L31 PolarHBondContact O-N 2.99Å; K29-Q32 PolarHBondContact O-N 3.03Å; K29-Q33 WeakPolarHBondContact O-CB 3.44Å; K29-Q33 VanDerWaalsContact O-CG 3.22Å; K29-Q33 WeakPolarHBondContact O-CG 3.39Å; K29-Q33 PolarHBondContact O-N 3.08Å |
| 30 | L | 95.2 | Very high | 93.3 | Very high | 24 Ų | 24 | 73.7 Ų | 73.7 | 13% | 0.126 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -57.7 | -44.8 | 176.7 | -69.9 | 177.4 | 0 | 0 | 0 | 111.6 | Q25 S26 I27 Q32 V37 A116 T118 M121 V123 | Q25-L30 HydrophobicContact CB-CD1 4.1Å; S26-L30 PolarHBondContact O-N 3.45Å; I27-L30 PolarHBondContact O-N 2.77Å; I27-L30 VanDerWaalsContact O-N 3.15Å; L30-Q32 VanDerWaalsContact C-N 3.32Å; L30-Q32 PolarHBondContact O-N 2.75Å; L30-V37 HydrophobicContact CB-CG1 4.48Å; L30-A116 HydrophobicContact CB-CB 4.38Å; L30-A116 HydrophobicContact CD1-CB 4.26Å; L30-T118 HydrophobicContact CD1-CG2 4.34Å; L30-T118 HydrophobicContact CD2-CG2 4.37Å; L30-M121 HydrophobicContact CD1-CE 3.87Å; L30-M121 HydrophobicContact CD2-CE 4.4Å; L30-V123 HydrophobicContact CD1-CG2 4.39Å |
| 31 | L | 94.3 | Very high | 93.1 | Very high | 42 Ų | 42 | 76.8 Ų | 76.8 | 22% | 0.22 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -69.5 | -27.1 | 179.3 | -65.9 | 171.5 | 0 | 0 | 0 | 113.4 | I27 K29 V37 I41 A116 | I27-L31 HydrophobicContact CG2-CD1 3.83Å; I27-L31 HydrophobicContact CG2-CG 4.33Å; I27-L31 WeakPolarHBondContact O-CG 3.37Å; I27-L31 PolarHBondContact O-N 3.48Å; K29-L31 VanDerWaalsContact C-N 3.31Å; K29-L31 PolarHBondContact O-N 2.99Å; L31-V37 HydrophobicContact CD2-CG1 3.88Å; L31-I41 HydrophobicContact CD1-CG2 3.68Å; L31-A116 HydrophobicContact CD2-CB 4.23Å; L31-A116 HydrophobicContact CG-CB 4.41Å |
| 32 | Q | 91.5 | Very high | 92.9 | Very high | 163 Ų | 163 | 75.1 Ų | 75.1 | 76% | 0.762 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -82.6 | -33.4 | 177.1 | -73.8 | 172.9 | 6.9 | 0 | 0 | 113.2 | P28 K29 L30 | P28-Q32 VanDerWaalsContact O-CG 3.24Å; P28-Q32 WeakPolarHBondContact O-CG 3.46Å; P28-Q32 PolarHBondContact O-N 3.47Å; K29-Q32 PolarHBondContact O-N 3.03Å; L30-Q32 VanDerWaalsContact C-N 3.32Å; L30-Q32 PolarHBondContact O-N 2.75Å |
| 33 | Q | 83.7 | Confident | 92.7 | Very high | 149 Ų | 149 | 70 Ų | 70 | 70% | 0.696 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -76.4 | -31.4 | -170.4 | -79.3 | 175 | -10.8 | 0 | 0 | 113.8 | K29 | K29-Q33 WeakPolarHBondContact O-CB 3.44Å; K29-Q33 VanDerWaalsContact O-CG 3.22Å; K29-Q33 WeakPolarHBondContact O-CG 3.39Å; K29-Q33 PolarHBondContact O-N 3.08Å |
| 34 | N | 79.6 | Confident | 92.3 | Very high | 70 Ų | 70 | 73 Ų | 73 | 37% | 0.374 | 40% | 0.398 | S | S | . | . | trans | -141.5 | 117.2 | -172 | -178.7 | 3.8 | 0 | 0 | 0 | 111.4 | T36 V37 | N34-T36 VanDerWaalsContact CG-OG1 3.27Å; N34-T36 PolarHBondContact ND2-OG1 3.26Å; N34-T36 PolarHBondContact O-N 3.39Å; N34-T36 VanDerWaalsContact O-N 3.09Å; N34-T36 PolarHBondContact OD1-N 3.05Å; N34-T36 PolarHBondContact OD1-OG1 2.85Å; N34-V37 HydrophobicContact CB-CG2 3.73Å; N34-V37 WeakPolarHBondContact O-CB 3.45Å; N34-V37 PolarHBondContact O-N 3.08Å | ||
| 35 | A | 82.6 | Confident | 91.9 | Very high | 110 Ų | 110 | 74.3 Ų | 74.3 | 91% | 0.909 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -16.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 36 | T | 89.5 | Confident | 91.6 | Very high | 100 Ų | 100 | 72.5 Ų | 72.5 | 61% | 0.613 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -15.7 | 175.1 | 68.6 | 0 | 0 | 0 | 0 | 113.3 | N34 K38 | N34-T36 VanDerWaalsContact CG-OG1 3.27Å; N34-T36 PolarHBondContact ND2-OG1 3.26Å; N34-T36 PolarHBondContact O-N 3.39Å; N34-T36 VanDerWaalsContact O-N 3.09Å; N34-T36 PolarHBondContact OD1-N 3.05Å; N34-T36 PolarHBondContact OD1-OG1 2.85Å; T36-K38 PolarHBondContact O-N 2.99Å |
| 37 | V | 92.9 | Very high | 91.2 | Very high | 17 Ų | 17 | 70.8 Ų | 70.8 | 10% | 0.103 | 39% | 0.386 | C | S | . | . | trans | -72.2 | 125.1 | 179.6 | -179.8 | 0 | 0 | 0 | 0 | 108.5 | L30 L31 N34 A116 D117 T118 | L30-V37 HydrophobicContact CB-CG1 4.48Å; L31-V37 HydrophobicContact CD2-CG1 3.88Å; N34-V37 HydrophobicContact CB-CG2 3.73Å; N34-V37 WeakPolarHBondContact O-CB 3.45Å; N34-V37 PolarHBondContact O-N 3.08Å; V37-A116 HydrophobicContact CG1-CB 4.03Å; V37-D117 WeakPolarHBondContact CA-O 3.47Å; V37-D117 WeakPolarHBondContact CG1-O 3.43Å; V37-T118 HydrophobicContact CG1-CG2 4.23Å; V37-T118 HydrophobicContact CG2-CG2 4.18Å | ||
| 38 | K | 94.2 | Very high | 91 | Very high | 150 Ų | 150 | 76.2 Ų | 76.2 | 65% | 0.652 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 147.1 | 176.2 | -60.8 | -178.2 | -176.9 | 176.8 | 0 | 109.2 | T36 A116 D117 | T36-K38 PolarHBondContact O-N 2.99Å; K38-A116 CarbonylContact O-C 3.59Å; K38-A116 WeakPolarHBondContact O-CA 3.49Å; K38-D117 PolarHBondContact N-O 2.79Å; K38-D117 PolarHBondContact O-N 3.09Å |
| 39 | G | 94.4 | Very high | 90.8 | Very high | 29 Ų | 29 | 73.9 Ų | 73.9 | 30% | 0.299 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.6 | -179.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y115 | G39-Y115 CarbonylContact C-O 3.53Å; G39-Y115 WeakPolarHBondContact CA-O 3.37Å |
| 40 | E | 93.8 | Very high | 90.7 | Very high | 68 Ų | 68 | 70.9 Ų | 70.9 | 32% | 0.318 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 131.3 | -177.9 | -70.2 | 173.5 | -130.7 | 0 | 0 | 109.4 | K42 H43 L114 Y115 | E40-K42 VanDerWaalsContact C-N 3.26Å; E40-K42 PolarHBondContact O-N 2.99Å; E40-H43 WeakPolarHBondContact OE2-CA 3.4Å; E40-H43 IonicContact OE2-CG 3.99Å; E40-L114 VanDerWaalsContact O-CA 3.28Å; E40-L114 WeakPolarHBondContact O-CA 3.27Å; E40-L114 WeakPolarHBondContact O-CB 3.33Å; E40-Y115 HydrophobicContact CB-CD1 4.32Å; E40-Y115 HydrophobicContact CB-CE1 3.79Å; E40-Y115 HydrophobicContact CG-CE1 3.95Å; E40-Y115 PolarHBondContact N-O 2.79Å; E40-Y115 PolarHBondContact O-N 2.99Å; E40-Y115 VanDerWaalsContact O-N 3.08Å; E40-Y115 PolarHBondContact OE1-OH 3.06Å |
| 41 | I | 93.4 | Very high | 90.6 | Very high | 109 Ų | 109 | 72.9 Ų | 72.9 | 56% | 0.559 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -73.8 | -17.2 | 174.4 | 56 | 168.4 | 0 | 0 | 0 | 113.3 | L31 F112 L114 | L31-I41 HydrophobicContact CD1-CG2 3.68Å; I41-F112 WeakPolarHBondContact O-CD2 3.42Å; I41-F112 WeakPolarHBondContact O-CE2 3.46Å; I41-L114 WeakPolarHBondContact O-CB 3.45Å |
| 42 | K | 92.5 | Very high | 90.6 | Very high | 106 Ų | 106 | 76.5 Ų | 76.5 | 46% | 0.461 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -156.5 | 100.5 | 176.7 | -177.6 | 164.7 | -173.6 | 162.9 | 0 | 108.4 | E40 A44 E109 F112 | E40-K42 VanDerWaalsContact C-N 3.26Å; E40-K42 PolarHBondContact O-N 2.99Å; K42-A44 PolarHBondContact O-N 2.88Å; K42-E109 PolarHBondContact NZ-O 2.93Å; K42-F112 HydrophobicContact CD-CB 4.27Å; K42-F112 HydrophobicContact CD-CG 4.49Å; K42-F112 HydrophobicContact CG-CB 3.95Å; K42-F112 HydrophobicContact CG-CG 4.37Å |
| 43 | H | 91.6 | Very high | 90.7 | Very high | 7 Ų | 7 | 68.8 Ų | 68.8 | 3% | 0.032 | 37% | 0.366 | C | S | . | . | trans | -67.9 | 117.6 | -177 | -173.1 | -34.1 | 0 | 0 | 0 | 110.3 | E40 Q45 L46 S47 M54 I113 Y115 | E40-H43 WeakPolarHBondContact OE2-CA 3.4Å; E40-H43 IonicContact OE2-CG 3.99Å; H43-Q45 PolarHBondContact ND1-N 2.98Å; H43-Q45 PolarHBondContact O-N 3.06Å; H43-L46 HydrophobicContact CB-CB 4.11Å; H43-L46 HydrophobicContact CB-CD1 4.46Å; H43-L46 PolarHBondContact O-N 2.83Å; H43-L46 VanDerWaalsContact O-N 3.17Å; H43-S47 PolarHBondContact N-OG 3.15Å; H43-S47 VanDerWaalsContact O-CB 3.28Å; H43-S47 WeakPolarHBondContact O-CB 3.24Å; H43-S47 PolarHBondContact O-N 2.81Å; H43-S47 PolarHBondContact O-OG 2.85Å; H43-M54 WeakPolarHBondContact NE2-CG 3.47Å; H43-I113 VanDerWaalsContact CB-O 3.26Å; H43-I113 WeakPolarHBondContact CB-O 3.4Å; H43-I113 PolarHBondContact N-O 3.26Å; H43-Y115 AromaticContact CD2-CE1 3.73Å | ||
| 44 | A | 90.2 | Very high | 91.2 | Very high | 85 Ų | 85 | 62.4 Ų | 62.4 | 70% | 0.702 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -41.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | K42 | K42-A44 PolarHBondContact O-N 2.88Š|
| 45 | Q | 89.5 | Confident | 91.9 | Very high | 73 Ų | 73 | 61 Ų | 61 | 34% | 0.341 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -11.7 | -177 | -66.7 | 169.5 | -60.8 | 0 | 0 | 114.2 | H43 S49 M54 | H43-Q45 PolarHBondContact ND1-N 2.98Å; H43-Q45 PolarHBondContact O-N 3.06Å; Q45-S49 WeakPolarHBondContact O-CB 3.47Å; Q45-S49 PolarHBondContact O-OG 3.23Å; Q45-M54 HydrophobicContact CB-CE 3.53Å; Q45-M54 HydrophobicContact CG-CE 4Å |
| 46 | L | 92.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -19.6 | -176.1 | -65.6 | -175.8 | 0 | 0 | 0 | 114.1 | H43 S49 R52 M54 I74 T76 T105 I113 | H43-L46 HydrophobicContact CB-CB 4.11Å; H43-L46 HydrophobicContact CB-CD1 4.46Å; H43-L46 PolarHBondContact O-N 2.83Å; H43-L46 VanDerWaalsContact O-N 3.17Å; L46-S49 VanDerWaalsContact CA-OG 3.31Å; L46-S49 WeakPolarHBondContact CA-OG 3.33Å; L46-S49 PolarHBondContact O-OG 2.82Å; L46-R52 HydrophobicContact CD2-CB 4.28Å; L46-M54 HydrophobicContact CD1-CB 4.11Å; L46-M54 HydrophobicContact CD2-CB 4.22Å; L46-M54 HydrophobicContact CG-CB 4.22Å; L46-I74 HydrophobicContact CD1-CB 3.99Å; L46-I74 HydrophobicContact CD1-CG2 3.74Å; L46-T76 HydrophobicContact CD2-CG2 4.01Å; L46-T105 WeakPolarHBondContact O-CB 3.34Å; L46-T105 WeakPolarHBondContact O-CG2 3.21Å; L46-T105 PolarHBondContact O-OG1 3.21Å; L46-I113 HydrophobicContact CB-CB 4.15Å; L46-I113 HydrophobicContact CB-CD1 4.04Å; L46-I113 HydrophobicContact CD1-CD1 4.45Å; L46-I113 HydrophobicContact CD1-CG2 4.19Å |
| 47 | S | 87.5 | Confident | 92.7 | Very high | 5 Ų | 5 | 58.5 Ų | 58.5 | 4% | 0.035 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 5.8 | -170.9 | -54.6 | 0 | 0 | 0 | 0 | 115.6 | H43 F112 I113 | H43-S47 PolarHBondContact N-OG 3.15Å; H43-S47 VanDerWaalsContact O-CB 3.28Å; H43-S47 WeakPolarHBondContact O-CB 3.24Å; H43-S47 PolarHBondContact O-N 2.81Å; H43-S47 PolarHBondContact O-OG 2.85Å; S47-F112 WeakPolarHBondContact OG-CB 3.28Å; S47-I113 PolarHBondContact OG-N 2.98Å |
| 48 | N | 91.7 | Very high | 92.9 | Very high | 114 Ų | 114 | 58 Ų | 58 | 61% | 0.61 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -154.1 | 56.3 | 171 | -177.7 | 19.1 | 0 | 0 | 0 | 107.1 | T105 M106 | N48-T105 PolarHBondContact N-OG1 2.75Å; N48-M106 WeakPolarHBondContact OD1-CG 3.41Å |
| 49 | S | 92.3 | Very high | 93 | Very high | 6 Ų | 6 | 54 Ų | 54 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | trans | -151.1 | 155.3 | -174.2 | 67.4 | 0 | 0 | 0 | 0 | 113 | Q45 L46 T76 T105 M106 | Q45-S49 WeakPolarHBondContact O-CB 3.47Å; Q45-S49 PolarHBondContact O-OG 3.23Å; L46-S49 VanDerWaalsContact CA-OG 3.31Å; L46-S49 WeakPolarHBondContact CA-OG 3.33Å; L46-S49 PolarHBondContact O-OG 2.82Å; S49-T76 WeakPolarHBondContact OG-CG2 3.44Å; S49-T105 PolarHBondContact N-OG1 3.15Å; S49-T105 PolarHBondContact O-N 3.45Å; S49-T105 PolarHBondContact O-OG1 2.87Å; S49-M106 VanDerWaalsContact N-CG 3.33Å | ||
| 50 | Y | 92.7 | Very high | 93.2 | Very high | 62 Ų | 62 | 53 Ų | 53 | 24% | 0.243 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -124.1 | 135.3 | 179.7 | 176.9 | -121.4 | 0 | 0 | 0 | 109.7 | R52 N102 D104 | Y50-R52 PolarHBondContact O-N 3.44Å; Y50-N102 WeakPolarHBondContact CE2-OD1 3.21Å; Y50-N102 PolarHBondContact OH-OD1 2.78Å; Y50-D104 HydrophobicContact CD2-CB 3.74Å; Y50-D104 HydrophobicContact CE2-CB 4.33Å |
| 51 | R | 92.1 | Very high | 93.3 | Very high | 66 Ų | 66 | 55.3 Ų | 55.3 | 25% | 0.249 | 28% | 0.275 | C | S | . | . | S | Bend | trans | 48.9 | 43.5 | -177.6 | -65 | 179.8 | 176.9 | -171.7 | -3.8 | 113 | T76 H169 Y394 T395 | R51-T76 PolarHBondContact N-OG1 2.88Å; R51-T76 VanDerWaalsContact N-OG1 3.14Å; R51-H169 PolarHBondContact NH2-O 3.01Å; R51-Y394 VanDerWaalsContact C-CD1 3.41Å; R51-Y394 HydrophobicContact CB-CD1 4.37Å; R51-Y394 HydrophobicContact CB-CE1 4.36Å; R51-Y394 WeakPolarHBondContact O-CA 2.84Å; R51-T395 PolarHBondContact O-N 2.81Å |
| 52 | R | 93.4 | Very high | 93.6 | Very high | 118 Ų | 118 | 50.1 Ų | 50.1 | 45% | 0.445 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 151 | 174.8 | -72.8 | -143.4 | 178.6 | 178.7 | 2.2 | 111.1 | L46 Y50 A75 T76 | L46-R52 HydrophobicContact CD2-CB 4.28Å; Y50-R52 PolarHBondContact O-N 3.44Å; R52-A75 WeakPolarHBondContact O-CA 3.37Å; R52-T76 HydrophobicContact CB-CG2 4.08Å; R52-T76 PolarHBondContact N-OG1 3.02Å; R52-T76 WeakPolarHBondContact O-CG2 3.27Å; R52-T76 PolarHBondContact O-N 2.91Å |
| 53 | A | 94 | Very high | 93.8 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 144.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | T73 I74 A75 L90 Y394 T395 A396 S397 | A53-T73 HydrophobicContact CB-CG2 3.58Å; A53-I74 CarbonylContact C-O 3.59Å; A53-I74 WeakPolarHBondContact CA-O 3.39Å; A53-A75 HydrophobicContact CB-CB 4.11Å; A53-L90 HydrophobicContact CB-CD1 3.67Å; A53-Y394 HydrophobicContact CB-CD1 4.23Å; A53-T395 PolarHBondContact N-O 3.04Å; A53-T395 VanDerWaalsContact N-O 3.09Å; A53-A396 WeakPolarHBondContact O-CA 3.15Å; A53-S397 PolarHBondContact O-N 2.82Å |
| 54 | M | 94 | Very high | 94.1 | Very high | 14 Ų | 14 | 45.8 Ų | 45.8 | 7% | 0.069 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 132.5 | 179.8 | -166.9 | 57.9 | 52.6 | 0 | 0 | 111 | H43 Q45 L46 Q56 T73 I74 S397 | H43-M54 WeakPolarHBondContact NE2-CG 3.47Å; Q45-M54 HydrophobicContact CB-CE 3.53Å; Q45-M54 HydrophobicContact CG-CE 4Å; L46-M54 HydrophobicContact CD1-CB 4.11Å; L46-M54 HydrophobicContact CD2-CB 4.22Å; L46-M54 HydrophobicContact CG-CB 4.22Å; M54-Q56 PolarHBondContact O-N 3.21Å; M54-T73 CarbonylContact O-C 3.57Å; M54-T73 VanDerWaalsContact O-CA 3.24Å; M54-T73 WeakPolarHBondContact O-CA 3.4Å; M54-I74 PolarHBondContact N-O 3.17Å; M54-I74 PolarHBondContact O-N 3.08Å; M54-S397 WeakPolarHBondContact CE-OG 3.37Å; M54-S397 PolarHBondContact SD-OG 2.96Å |
| 55 | V | 94.1 | Very high | 94.4 | Very high | 40 Ų | 40 | 41.9 Ų | 41.9 | 24% | 0.242 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 124.3 | 171.2 | -176 | 0 | 0 | 0 | 0 | 108.7 | N71 I72 T73 V86 | V55-N71 HydrophobicContact CG1-CB 4.18Å; V55-I72 CarbonylContact C-O 3.6Å; V55-I72 WeakPolarHBondContact CA-O 3.39Å; V55-T73 HydrophobicContact CG2-CG2 4.47Å; V55-V86 HydrophobicContact CG2-CG2 4.4Å |
| 56 | Q | 94.2 | Very high | 94.6 | Very high | 32 Ų | 32 | 39 Ų | 39 | 15% | 0.15 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 125.1 | 172.5 | -179.3 | 56.5 | 51.4 | 0 | 0 | 109 | M54 I72 I74 Y115 F122 | M54-Q56 PolarHBondContact O-N 3.21Å; Q56-I72 HydrophobicContact CB-CG1 4.15Å; Q56-I72 PolarHBondContact N-O 2.97Å; Q56-I72 WeakPolarHBondContact O-CG1 3.43Å; Q56-I72 PolarHBondContact O-N 3.17Å; Q56-I74 HydrophobicContact CB-CD1 4.1Å; Q56-Y115 HydrophobicContact CG-CE2 4.23Å; Q56-Y115 VanDerWaalsContact OE1-CZ 3.23Å; Q56-Y115 PolarHBondContact OE1-OH 2.9Å; Q56-F122 HydrophobicContact CG-CE2 3.64Å; Q56-F122 HydrophobicContact CG-CZ 3.75Å |
| 57 | K | 95.7 | Very high | 94.8 | Very high | 127 Ų | 127 | 39.8 Ų | 39.8 | 55% | 0.552 | 19% | 0.192 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 124.6 | 171.6 | -174.3 | 172 | -178 | 174.3 | 0 | 109.8 | E70 | K57-E70 CarbonylContact C-O 3.43Å; K57-E70 WeakPolarHBondContact CA-O 3.39Å; K57-E70 WeakPolarHBondContact CE-OE2 3.42Å; K57-E70 HydrophobicContact CG-CB 4.5Å; K57-E70 IonicContact NZ-OE2 3.53Å |
| 58 | L | 97.1 | Very high | 95.2 | Very high | 5 Ų | 5 | 44.8 Ų | 44.8 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 150.4 | 173.6 | -57 | -178 | 0 | 0 | 0 | 110.6 | F60 F62 E70 I72 D117 F122 | L58-F60 VanDerWaalsContact CB-O 3.32Å; L58-F60 WeakPolarHBondContact CB-O 3.28Å; L58-F60 HydrophobicContact CD1-CE2 4.22Å; L58-F60 HydrophobicContact CD1-CZ 4.34Å; L58-F60 PolarHBondContact O-N 3.08Å; L58-F62 HydrophobicContact CD1-CB 3.72Å; L58-E70 WeakPolarHBondContact CB-O 3.43Å; L58-E70 WeakPolarHBondContact CG-O 3.42Å; L58-E70 PolarHBondContact N-O 3.44Å; L58-I72 HydrophobicContact CD1-CG2 3.91Å; L58-I72 HydrophobicContact CD2-CD1 3.78Å; L58-I72 HydrophobicContact CD2-CG1 4.04Å; L58-I72 HydrophobicContact CG-CD1 4.45Å; L58-I72 HydrophobicContact CG-CG1 4.29Å; L58-I72 HydrophobicContact CG-CG2 4.3Å; L58-D117 WeakPolarHBondContact CA-OD2 3.35Å; L58-F122 HydrophobicContact CD2-CB 3.69Å; L58-F122 HydrophobicContact CD2-CD1 4.01Å; L58-F122 HydrophobicContact CD2-CD2 3.34Å; L58-F122 HydrophobicContact CD2-CE2 3.95Å; L58-F122 HydrophobicContact CD2-CG 3.39Å |
| 59 | S | 97.1 | Very high | 95.3 | Very high | 66 Ų | 66 | 40.2 Ų | 40.2 | 46% | 0.462 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | -8.5 | 172.6 | 69 | 0 | 0 | 0 | 0 | 113.5 | D117 G119 | S59-D117 WeakPolarHBondContact CB-OD1 3.21Å; S59-D117 WeakPolarHBondContact CB-OD2 3.35Å; S59-D117 PolarHBondContact N-OD2 2.9Å; S59-D117 VanDerWaalsContact OG-CG 3.24Å; S59-D117 PolarHBondContact OG-OD1 3.05Å; S59-D117 PolarHBondContact OG-OD2 2.84Å; S59-G119 WeakPolarHBondContact OG-CA 3.39Å; S59-G119 PolarHBondContact OG-N 2.89Å |
| 60 | F | 97.6 | Very high | 95.5 | Very high | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.035 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 163 | 179.7 | 60.6 | -90.8 | 0 | 0 | 0 | 111.6 | L58 F62 G119 F122 K147 | L58-F60 VanDerWaalsContact CB-O 3.32Å; L58-F60 WeakPolarHBondContact CB-O 3.28Å; L58-F60 HydrophobicContact CD1-CE2 4.22Å; L58-F60 HydrophobicContact CD1-CZ 4.34Å; L58-F60 PolarHBondContact O-N 3.08Å; F60-F62 HydrophobicContact CD2-CB 4.34Å; F60-F62 HydrophobicContact CE2-CB 3.94Å; F60-F62 HydrophobicContact CE2-CD2 4.2Å; F60-F62 PolarHBondContact O-N 3.48Å; F60-G119 WeakPolarHBondContact CD1-O 3.42Å; F60-F122 HydrophobicContact CE1-CB 4.13Å; F60-F122 HydrophobicContact CZ-CB 3.98Å; F60-K147 HydrophobicContact CB-CB 4.46Å; F60-K147 HydrophobicContact CB-CD 3.95Å; F60-K147 HydrophobicContact CB-CG 3.96Å; F60-K147 HydrophobicContact CD2-CB 3.75Å; F60-K147 HydrophobicContact CD2-CG 3.95Å; F60-K147 HydrophobicContact CE2-CB 4.11Å; F60-K147 HydrophobicContact CG-CB 4.02Å; F60-K147 HydrophobicContact CG-CD 4.34Å; F60-K147 HydrophobicContact CG-CG 4.06Å |
| 61 | K | 97.1 | Very high | 95.6 | Very high | 117 Ų | 117 | 44 Ų | 44 | 51% | 0.509 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 110.3 | 173 | -67.3 | -176.5 | -179.4 | -177.5 | 0 | 109.5 | P63 L68 E70 | K61-P63 WeakPolarHBondContact O-CD 3.44Å; K61-L68 HydrophobicContact CB-CB 4.23Å; K61-L68 HydrophobicContact CB-CD1 4.5Å; K61-L68 HydrophobicContact CB-CD2 4.18Å; K61-L68 HydrophobicContact CD-CB 4.48Å; K61-L68 HydrophobicContact CD-CD1 4.13Å; K61-E70 WeakPolarHBondContact CE-OE1 3.32Å; K61-E70 HydrophobicContact CG-CG 3.67Å; K61-E70 WeakPolarHBondContact CG-OE1 3.21Å |
| 62 | F | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 121.7 | 177.2 | 178.5 | -110.1 | 0 | 0 | 0 | 110.6 | L58 F60 F64 L68 T69 I96 L145 H146 I151 | L58-F62 HydrophobicContact CD1-CB 3.72Å; F60-F62 HydrophobicContact CD2-CB 4.34Å; F60-F62 HydrophobicContact CE2-CB 3.94Å; F60-F62 HydrophobicContact CE2-CD2 4.2Å; F60-F62 PolarHBondContact O-N 3.48Å; F62-F64 HydrophobicContact CD1-CB 4.08Å; F62-F64 HydrophobicContact CE1-CB 3.81Å; F62-F64 HydrophobicContact CE1-CD2 4.03Å; F62-F64 HydrophobicContact CE1-CG 4.36Å; F62-F64 PolarHBondContact O-N 2.93Å; F62-L68 WeakPolarHBondContact O-CA 3.45Å; F62-T69 HydrophobicContact CD1-CG2 4.42Å; F62-T69 PolarHBondContact N-O 3.22Å; F62-T69 PolarHBondContact O-N 2.86Å; F62-I96 HydrophobicContact CE1-CD1 3.89Å; F62-I96 HydrophobicContact CZ-CD1 4.37Å; F62-L145 HydrophobicContact CD1-CD1 4.45Å; F62-L145 HydrophobicContact CD2-CB 3.99Å; F62-L145 HydrophobicContact CE1-CD2 4.24Å; F62-L145 HydrophobicContact CE2-CB 3.87Å; F62-L145 HydrophobicContact CE2-CD2 4.24Å; F62-L145 HydrophobicContact CZ-CB 4.36Å; F62-L145 HydrophobicContact CZ-CD2 3.89Å; F62-H146 VanDerWaalsContact CD2-O 3.27Å; F62-H146 WeakPolarHBondContact CD2-O 3.11Å; F62-H146 WeakPolarHBondContact CE2-O 3.42Å; F62-I151 HydrophobicContact CE2-CG1 4.3Å; F62-I151 HydrophobicContact CZ-CD1 3.91Å; F62-I151 HydrophobicContact CZ-CG1 3.65Å |
| 63 | P | 97.1 | Very high | 95.9 | Very high | 23 Ų | 23 | 35.5 Ų | 35.5 | 15% | 0.149 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 103.3 | 176.1 | 29 | -27.8 | 0 | 0 | 0 | 111.1 | K61 L68 K147 | K61-P63 WeakPolarHBondContact O-CD 3.44Å; P63-L68 HydrophobicContact CB-CD2 3.81Å; P63-K147 WeakPolarHBondContact CD-O 3.5Å |
| 64 | F | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 116.5 | 172.6 | -173.8 | -111.7 | 0 | 0 | 0 | 110 | F62 G66 H67 V82 I96 I151 L176 D178 | F62-F64 HydrophobicContact CD1-CB 4.08Å; F62-F64 HydrophobicContact CE1-CB 3.81Å; F62-F64 HydrophobicContact CE1-CD2 4.03Å; F62-F64 HydrophobicContact CE1-CG 4.36Å; F62-F64 PolarHBondContact O-N 2.93Å; F64-G66 PolarHBondContact O-N 3.13Å; F64-G66 VanDerWaalsContact O-N 3.14Å; F64-H67 PolarHBondContact N-O 2.88Å; F64-H67 WeakPolarHBondContact O-CB 3.06Å; F64-H67 PolarHBondContact O-N 3.13Å; F64-V82 HydrophobicContact CD1-CB 4.28Å; F64-V82 HydrophobicContact CD1-CG2 3.32Å; F64-V82 HydrophobicContact CD2-CG2 4.19Å; F64-V82 HydrophobicContact CE1-CG2 3.24Å; F64-V82 HydrophobicContact CE2-CG2 4.14Å; F64-V82 HydrophobicContact CG-CB 4.48Å; F64-V82 HydrophobicContact CG-CG2 3.78Å; F64-V82 HydrophobicContact CZ-CG2 3.66Å; F64-I96 HydrophobicContact CD2-CD1 3.9Å; F64-I96 HydrophobicContact CD2-CG1 4.14Å; F64-I96 HydrophobicContact CE2-CD1 3.88Å; F64-I96 HydrophobicContact CE2-CG1 3.59Å; F64-I96 HydrophobicContact CZ-CG1 4.12Å; F64-I151 HydrophobicContact CD2-CD1 4.47Å; F64-L176 HydrophobicContact CE2-CD1 4.46Å; F64-D178 HydrophobicContact CE1-CB 3.76Å; F64-D178 HydrophobicContact CZ-CB 4.41Å |
| 65 | Y | 96.7 | Very high | 96.1 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 31.4 | -171.4 | -72.2 | -101.4 | 0 | 0 | 0 | 113 | Y7 Y8 H67 L176 D178 Y202 H203 | Y7-Y65 AromaticContact CD1-CD1 3.55Å; Y7-Y65 HydrophobicContact CD1-CD1 3.55Å; Y7-Y65 HydrophobicContact CD1-CE1 4.24Å; Y7-Y65 HydrophobicContact CD1-CG 4.44Å; Y7-Y65 AromaticContact CD2-CD1 3.8Å; Y7-Y65 HydrophobicContact CD2-CD1 3.8Å; Y7-Y65 AromaticContact CD2-CE1 3.66Å; Y7-Y65 HydrophobicContact CD2-CE1 3.66Å; Y7-Y65 HydrophobicContact CE1-CD1 4.12Å; Y7-Y65 HydrophobicContact CE2-CD1 4.31Å; Y7-Y65 HydrophobicContact CE2-CE1 4.34Å; Y7-Y65 AromaticContact CG-CD1 3.4Å; Y7-Y65 HydrophobicContact CG-CD1 3.4Å; Y7-Y65 AromaticContact CG-CE1 3.62Å; Y7-Y65 HydrophobicContact CG-CE1 3.62Å; Y8-Y65 HydrophobicContact CD2-CE1 4.36Å; Y8-Y65 HydrophobicContact CD2-CE2 4.36Å; Y8-Y65 HydrophobicContact CE2-CD1 4.19Å; Y8-Y65 AromaticContact CE2-CD2 3.68Å; Y8-Y65 HydrophobicContact CE2-CD2 3.68Å; Y8-Y65 HydrophobicContact CE2-CE1 4.04Å; Y8-Y65 AromaticContact CE2-CE2 3.54Å; Y8-Y65 HydrophobicContact CE2-CE2 3.54Å; Y8-Y65 HydrophobicContact CE2-CG 4.01Å; Y8-Y65 AromaticContact CE2-CZ 3.74Å; Y8-Y65 PolarHBondContact OH-N 2.92Å; Y65-H67 VanDerWaalsContact C-N 3.27Å; Y65-H67 PolarHBondContact O-N 3.42Å; Y65-L176 HydrophobicContact CE2-CB 4.43Å; Y65-D178 HydrophobicContact CD1-CB 4.2Å; Y65-D178 HydrophobicContact CD2-CB 3.58Å; Y65-D178 HydrophobicContact CE1-CB 4.34Å; Y65-D178 HydrophobicContact CE2-CB 3.72Å; Y65-D178 HydrophobicContact CG-CB 3.84Å; Y65-Y202 VanDerWaalsContact CB-OH 3.28Å; Y65-Y202 WeakPolarHBondContact CB-OH 3.39Å; Y65-Y202 HydrophobicContact CD1-CE2 4.1Å; Y65-Y202 WeakPolarHBondContact CD1-OH 3.45Å; Y65-H203 HydrophobicContact CE1-CB 3.71Å; Y65-H203 AromaticContact CE1-CG 3.68Å; Y65-H203 AromaticContact CE1-ND1 3.27Å; Y65-H203 VanDerWaalsContact CE1-ND1 3.27Å; Y65-H203 WeakPolarHBondContact CE1-ND1 3.3Å; Y65-H203 AromaticContact CZ-ND1 3.52Å; Y65-H203 PolarHBondContact OH-ND1 2.82Å |
| 66 | G | 95.1 | Very high | 96.2 | Very high | 12 Ų | 12 | 32.9 Ų | 32.9 | 12% | 0.124 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | -10.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | F64 S228 | F64-G66 PolarHBondContact O-N 3.13Å; F64-G66 VanDerWaalsContact O-N 3.14Å; G66-S228 WeakPolarHBondContact CA-OG 3.31Å |
| 67 | H | 95.5 | Very high | 96.3 | Very high | 17 Ų | 17 | 31.3 Ų | 31.3 | 8% | 0.079 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 121 | 174.7 | -66 | -75.6 | 0 | 0 | 0 | 110.9 | F64 Y65 T69 R267 | F64-H67 PolarHBondContact N-O 2.88Å; F64-H67 WeakPolarHBondContact O-CB 3.06Å; F64-H67 PolarHBondContact O-N 3.13Å; Y65-H67 VanDerWaalsContact C-N 3.27Å; Y65-H67 PolarHBondContact O-N 3.42Å; H67-T69 PolarHBondContact O-N 3.04Å; H67-R267 PolarHBondContact NE2-N 3.43Å |
| 68 | L | 95.7 | Very high | 96.4 | Very high | 110 Ų | 110 | 25.3 Ų | 25.3 | 58% | 0.576 | 14% | 0.136 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 124 | 179.1 | -62.7 | 179.3 | 0 | 0 | 0 | 110.9 | K61 F62 P63 | K61-L68 HydrophobicContact CB-CB 4.23Å; K61-L68 HydrophobicContact CB-CD1 4.5Å; K61-L68 HydrophobicContact CB-CD2 4.18Å; K61-L68 HydrophobicContact CD-CB 4.48Å; K61-L68 HydrophobicContact CD-CD1 4.13Å; F62-L68 WeakPolarHBondContact O-CA 3.45Å; P63-L68 HydrophobicContact CB-CD2 3.81Å |
| 69 | T | 94.8 | Very high | 96.5 | Very high | 17 Ų | 17 | 25 Ų | 25 | 10% | 0.104 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 143.7 | 170.7 | -171.6 | 0 | 0 | 0 | 0 | 111.5 | F62 H67 N71 I72 | F62-T69 HydrophobicContact CD1-CG2 4.42Å; F62-T69 PolarHBondContact N-O 3.22Å; F62-T69 PolarHBondContact O-N 2.86Å; H67-T69 PolarHBondContact O-N 3.04Å; T69-N71 PolarHBondContact OG1-N 3.29Å; T69-N71 PolarHBondContact OG1-O 3.26Å; T69-I72 HydrophobicContact CG2-CG2 4.4Å |
| 70 | E | 95.6 | Very high | 96.5 | Very high | 66 Ų | 66 | 21.9 Ų | 21.9 | 31% | 0.308 | 11% | 0.113 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | -17.6 | 168.4 | -62.3 | 179.8 | 163.3 | 0 | 0 | 111.2 | K57 L58 K61 | K57-E70 CarbonylContact C-O 3.43Å; K57-E70 WeakPolarHBondContact CA-O 3.39Å; K57-E70 WeakPolarHBondContact CE-OE2 3.42Å; K57-E70 HydrophobicContact CG-CB 4.5Å; K57-E70 IonicContact NZ-OE2 3.53Å; L58-E70 WeakPolarHBondContact CB-O 3.43Å; L58-E70 WeakPolarHBondContact CG-O 3.42Å; L58-E70 PolarHBondContact N-O 3.44Å; K61-E70 WeakPolarHBondContact CE-OE1 3.32Å; K61-E70 HydrophobicContact CG-CG 3.67Å; K61-E70 WeakPolarHBondContact CG-OE1 3.21Å |
| 71 | N | 94.9 | Very high | 96.5 | Very high | 83 Ų | 83 | 21.5 Ų | 21.5 | 44% | 0.444 | 11% | 0.111 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 123 | -177.5 | -66.1 | -27.7 | 0 | 0 | 0 | 108.9 | V55 T69 | V55-N71 HydrophobicContact CG1-CB 4.18Å; T69-N71 PolarHBondContact OG1-N 3.29Å; T69-N71 PolarHBondContact OG1-O 3.26Å |
| 72 | I | 95.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 155 | 173 | 65.3 | 163.5 | 0 | 0 | 0 | 108.8 | V55 Q56 L58 T69 V80 V82 F122 L145 | V55-I72 CarbonylContact C-O 3.6Å; V55-I72 WeakPolarHBondContact CA-O 3.39Å; Q56-I72 HydrophobicContact CB-CG1 4.15Å; Q56-I72 PolarHBondContact N-O 2.97Å; Q56-I72 WeakPolarHBondContact O-CG1 3.43Å; Q56-I72 PolarHBondContact O-N 3.17Å; L58-I72 HydrophobicContact CD1-CG2 3.91Å; L58-I72 HydrophobicContact CD2-CD1 3.78Å; L58-I72 HydrophobicContact CD2-CG1 4.04Å; L58-I72 HydrophobicContact CG-CD1 4.45Å; L58-I72 HydrophobicContact CG-CG1 4.29Å; L58-I72 HydrophobicContact CG-CG2 4.3Å; T69-I72 HydrophobicContact CG2-CG2 4.4Å; I72-V80 HydrophobicContact CB-CG1 3.61Å; I72-V80 HydrophobicContact CD1-CG1 3.95Å; I72-V80 HydrophobicContact CG1-CG1 4.2Å; I72-V80 HydrophobicContact CG2-CG1 4.36Å; I72-V82 HydrophobicContact CB-CG1 4.49Å; I72-V82 HydrophobicContact CG2-CG1 4Å; I72-F122 HydrophobicContact CD1-CD1 3.77Å; I72-F122 HydrophobicContact CD1-CE1 3.54Å; I72-F122 HydrophobicContact CD1-CG 4.49Å; I72-F122 HydrophobicContact CD1-CZ 4.09Å; I72-L145 HydrophobicContact CD1-CD1 3.99Å; I72-L145 HydrophobicContact CG2-CD1 4.45Å |
| 73 | T | 96.2 | Very high | 96 | Very high | 4 Ų | 4 | 16.3 Ų | 16.3 | 3% | 0.025 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 106.1 | -178.6 | -56.8 | 0 | 0 | 0 | 0 | 109.8 | A53 M54 V55 V80 Y81 L90 | A53-T73 HydrophobicContact CB-CG2 3.58Å; M54-T73 CarbonylContact O-C 3.57Å; M54-T73 VanDerWaalsContact O-CA 3.24Å; M54-T73 WeakPolarHBondContact O-CA 3.4Å; V55-T73 HydrophobicContact CG2-CG2 4.47Å; T73-V80 CarbonylContact O-C 3.42Å; T73-V80 WeakPolarHBondContact O-CA 3.45Å; T73-Y81 PolarHBondContact N-O 2.79Å; T73-Y81 PolarHBondContact O-N 2.61Å; T73-L90 HydrophobicContact CG2-CD1 3.98Å |
| 74 | I | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 126.3 | 179.6 | -58.6 | 162.7 | 0 | 0 | 0 | 109.1 | L46 A53 M54 Q56 V80 I113 F122 V124 W126 | L46-I74 HydrophobicContact CD1-CB 3.99Å; L46-I74 HydrophobicContact CD1-CG2 3.74Å; A53-I74 CarbonylContact C-O 3.59Å; A53-I74 WeakPolarHBondContact CA-O 3.39Å; M54-I74 PolarHBondContact N-O 3.17Å; M54-I74 PolarHBondContact O-N 3.08Å; Q56-I74 HydrophobicContact CB-CD1 4.1Å; I74-V80 HydrophobicContact CG1-CG2 4.18Å; I74-I113 HydrophobicContact CG2-CG2 4.09Å; I74-F122 HydrophobicContact CD1-CE1 4.27Å; I74-F122 HydrophobicContact CD1-CZ 3.96Å; I74-V124 HydrophobicContact CD1-CG2 4.17Å; I74-V124 HydrophobicContact CG1-CG2 4.45Å; I74-V124 HydrophobicContact CG2-CG2 3.94Å; I74-W126 HydrophobicContact CG2-CZ2 3.96Å |
| 75 | A | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 145.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R52 A53 G77 G78 F79 W126 Y394 | R52-A75 WeakPolarHBondContact O-CA 3.37Å; A53-A75 HydrophobicContact CB-CB 4.11Å; A75-G77 PolarHBondContact O-N 2.89Å; A75-G78 PolarHBondContact O-N 3Å; A75-F79 HydrophobicContact CB-CD1 3.86Å; A75-F79 HydrophobicContact CB-CD2 4.27Å; A75-F79 HydrophobicContact CB-CE1 3.49Å; A75-F79 VanDerWaalsContact CB-CE1 3.49Å; A75-F79 HydrophobicContact CB-CE2 3.94Å; A75-F79 HydrophobicContact CB-CG 4.24Å; A75-F79 HydrophobicContact CB-CZ 3.53Å; A75-F79 WeakPolarHBondContact CB-O 3.47Å; A75-F79 PolarHBondContact N-O 2.86Å; A75-W126 PolarHBondContact O-NE1 3.48Å; A75-Y394 HydrophobicContact CB-CD1 3.98Å; A75-Y394 HydrophobicContact CB-CE1 3.76Å |
| 76 | T | 96.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -28 | 176.9 | 57.1 | 0 | 0 | 0 | 0 | 112.8 | L46 S49 R51 R52 G78 F103 I113 | L46-T76 HydrophobicContact CD2-CG2 4.01Å; S49-T76 WeakPolarHBondContact OG-CG2 3.44Å; R51-T76 PolarHBondContact N-OG1 2.88Å; R51-T76 VanDerWaalsContact N-OG1 3.14Å; R52-T76 HydrophobicContact CB-CG2 4.08Å; R52-T76 PolarHBondContact N-OG1 3.02Å; R52-T76 WeakPolarHBondContact O-CG2 3.27Å; R52-T76 PolarHBondContact O-N 2.91Å; T76-G78 PolarHBondContact O-N 3.29Å; T76-G78 VanDerWaalsContact O-N 3.11Å; T76-F103 WeakPolarHBondContact O-CB 3.48Å; T76-I113 HydrophobicContact CG2-CD1 4.37Å |
| 77 | G | 96.1 | Very high | 93 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | 21.5 | -179 | 0 | 0 | 0 | 0 | 0 | 115.9 | A75 M100 A101 Y394 | A75-G77 PolarHBondContact O-N 2.89Å; G77-M100 CarbonylContact O-C 3.5Å; G77-M100 VanDerWaalsContact O-CA 3.24Å; G77-M100 WeakPolarHBondContact O-CA 3.42Å; G77-A101 WeakPolarHBondContact CA-O 3.16Å; G77-A101 PolarHBondContact O-N 3.19Å; G77-Y394 VanDerWaalsContact CA-OH 3.3Å; G77-Y394 WeakPolarHBondContact CA-OH 3.05Å; G77-Y394 PolarHBondContact N-OH 2.83Å |
| 78 | G | 97.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | 29 | 170.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | A75 T76 P98 L99 W126 | A75-G78 PolarHBondContact O-N 3Å; T76-G78 PolarHBondContact O-N 3.29Å; T76-G78 VanDerWaalsContact O-N 3.11Å; G78-P98 WeakPolarHBondContact O-CD 3.35Å; G78-L99 CarbonylContact C-O 3.47Å; G78-L99 VanDerWaalsContact CA-O 3.25Å; G78-L99 WeakPolarHBondContact CA-O 3.47Å; G78-L99 CarbonylContact O-C 3.51Å; G78-L99 VanDerWaalsContact O-C 3.25Å; G78-L99 PolarHBondContact O-N 3.17Å; G78-W126 VanDerWaalsContact CA-CE2 3.49Å |
| 79 | F | 98 | Very high | 91.3 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 166.4 | 177.8 | 72.6 | -82.6 | 0 | 0 | 0 | 112.4 | A75 L90 A91 I96 A97 M100 Y394 | A75-F79 HydrophobicContact CB-CD1 3.86Å; A75-F79 HydrophobicContact CB-CD2 4.27Å; A75-F79 HydrophobicContact CB-CE1 3.49Å; A75-F79 VanDerWaalsContact CB-CE1 3.49Å; A75-F79 HydrophobicContact CB-CE2 3.94Å; A75-F79 HydrophobicContact CB-CG 4.24Å; A75-F79 HydrophobicContact CB-CZ 3.53Å; A75-F79 WeakPolarHBondContact CB-O 3.47Å; A75-F79 PolarHBondContact N-O 2.86Å; F79-L90 HydrophobicContact CE2-CB 4.12Å; F79-L90 HydrophobicContact CZ-CB 4.23Å; F79-A91 HydrophobicContact CE1-CB 4.23Å; F79-A91 HydrophobicContact CE2-CB 4.47Å; F79-A91 HydrophobicContact CZ-CB 3.85Å; F79-I96 WeakPolarHBondContact CA-O 3.33Å; F79-I96 WeakPolarHBondContact CB-O 3.3Å; F79-A97 HydrophobicContact CB-CB 3.91Å; F79-M100 HydrophobicContact CB-CB 4.35Å; F79-M100 HydrophobicContact CB-CE 3.72Å; F79-M100 HydrophobicContact CD1-CB 4.37Å; F79-M100 HydrophobicContact CD1-CE 3.51Å; F79-M100 HydrophobicContact CD1-CG 3.76Å; F79-M100 HydrophobicContact CD1-SD 4.3Å; F79-M100 HydrophobicContact CD2-CE 3.52Å; F79-M100 HydrophobicContact CE1-CE 3.92Å; F79-M100 HydrophobicContact CE1-CG 4.27Å; F79-M100 HydrophobicContact CE2-CE 3.94Å; F79-M100 HydrophobicContact CG-CE 3.29Å; F79-M100 HydrophobicContact CG-CG 4.34Å; F79-M100 HydrophobicContact CZ-CE 4.13Å; F79-Y394 HydrophobicContact CE1-CE1 4.22Å; F79-Y394 AromaticContact CE1-CE2 3.75Å; F79-Y394 HydrophobicContact CE1-CE2 3.75Å; F79-Y394 AromaticContact CE1-CZ 3.59Å; F79-Y394 HydrophobicContact CZ-CD2 4.12Å; F79-Y394 HydrophobicContact CZ-CE1 4.49Å; F79-Y394 AromaticContact CZ-CE2 3.79Å; F79-Y394 HydrophobicContact CZ-CE2 3.79Å |
| 80 | V | 97.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 134.7 | 171.1 | 175.1 | 0 | 0 | 0 | 0 | 109.3 | I72 T73 I74 V82 Y95 I96 V124 W126 L143 | I72-V80 HydrophobicContact CB-CG1 3.61Å; I72-V80 HydrophobicContact CD1-CG1 3.95Å; I72-V80 HydrophobicContact CG1-CG1 4.2Å; I72-V80 HydrophobicContact CG2-CG1 4.36Å; T73-V80 CarbonylContact O-C 3.42Å; T73-V80 WeakPolarHBondContact O-CA 3.45Å; I74-V80 HydrophobicContact CG1-CG2 4.18Å; V80-V82 HydrophobicContact CG1-CG1 3.95Å; V80-Y95 CarbonylContact O-C 3.54Å; V80-Y95 VanDerWaalsContact O-CA 3.26Å; V80-Y95 WeakPolarHBondContact O-CA 3.34Å; V80-I96 PolarHBondContact N-O 3.1Å; V80-I96 PolarHBondContact O-N 3.12Å; V80-V124 HydrophobicContact CG2-CG1 4.28Å; V80-W126 HydrophobicContact CG2-CH2 4.1Å; V80-L143 HydrophobicContact CB-CD2 4.05Å; V80-L143 HydrophobicContact CG2-CD2 3.55Å |
| 81 | Y | 96.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 135.8 | 168.8 | 172.8 | -94.1 | 0 | 0 | 0 | 110.3 | T73 G83 Y85 L90 Q94 | T73-Y81 PolarHBondContact N-O 2.79Å; T73-Y81 PolarHBondContact O-N 2.61Å; Y81-G83 VanDerWaalsContact CE1-O 3.29Å; Y81-G83 WeakPolarHBondContact CE1-O 3.3Å; Y81-G83 VanDerWaalsContact CZ-CA 3.41Å; Y81-G83 WeakPolarHBondContact OH-CA 3.45Å; Y81-Y85 PolarHBondContact OH-O 2.84Å; Y81-L90 HydrophobicContact CD1-CD2 3.65Å; Y81-L90 HydrophobicContact CD2-CB 4.25Å; Y81-L90 HydrophobicContact CD2-CD2 3.92Å; Y81-L90 WeakPolarHBondContact CD2-O 3.46Å; Y81-L90 HydrophobicContact CE1-CD2 3.91Å; Y81-L90 HydrophobicContact CE2-CD2 4.18Å; Y81-L90 HydrophobicContact CG-CB 4.28Å; Y81-L90 HydrophobicContact CG-CD2 3.65Å; Y81-L90 HydrophobicContact CG-CG 4.47Å; Y81-Q94 HydrophobicContact CD2-CB 4.23Å; Y81-Q94 VanDerWaalsContact CD2-O 3.31Å; Y81-Q94 WeakPolarHBondContact CD2-O 3.37Å; Y81-Q94 HydrophobicContact CE2-CB 3.77Å; Y81-Q94 PolarHBondContact OH-OE1 2.91Å |
| 82 | V | 95.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -129.2 | 19.7 | -171.8 | -64.8 | 0 | 0 | 0 | 0 | 112.6 | F64 I72 V80 Q94 I96 R267 | F64-V82 HydrophobicContact CD1-CB 4.28Å; F64-V82 HydrophobicContact CD1-CG2 3.32Å; F64-V82 HydrophobicContact CD2-CG2 4.19Å; F64-V82 HydrophobicContact CE1-CG2 3.24Å; F64-V82 HydrophobicContact CE2-CG2 4.14Å; F64-V82 HydrophobicContact CG-CB 4.48Å; F64-V82 HydrophobicContact CG-CG2 3.78Å; F64-V82 HydrophobicContact CZ-CG2 3.66Å; I72-V82 HydrophobicContact CB-CG1 4.49Å; I72-V82 HydrophobicContact CG2-CG1 4Å; V80-V82 HydrophobicContact CG1-CG1 3.95Å; V82-Q94 VanDerWaalsContact CG2-O 3.31Å; V82-Q94 WeakPolarHBondContact CG2-O 3.36Å; V82-Q94 PolarHBondContact N-O 2.83Å; V82-I96 HydrophobicContact CG1-CD1 3.76Å; V82-I96 HydrophobicContact CG1-CG1 4.12Å; V82-I96 HydrophobicContact CG2-CD1 4.47Å; V82-I96 HydrophobicContact CG2-CG1 4.25Å; V82-R267 PolarHBondContact O-NH1 2.79Å; V82-R267 PolarHBondContact O-NH2 2.73Å | ||
| 83 | G | 90.2 | Very high | 89.7 | Confident | 8 Ų | 8 | 26.4 Ų | 26.4 | 8% | 0.082 | 13% | 0.129 | C | C | . | . | trans | -83.4 | 157 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y81 Y85 | Y81-G83 VanDerWaalsContact CE1-O 3.29Å; Y81-G83 WeakPolarHBondContact CE1-O 3.3Å; Y81-G83 VanDerWaalsContact CZ-CA 3.41Å; Y81-G83 WeakPolarHBondContact OH-CA 3.45Å; G83-Y85 VanDerWaalsContact C-N 3.33Å; G83-Y85 PolarHBondContact O-N 2.87Å | ||
| 84 | E | 84.4 | Confident | 89.7 | Confident | 117 Ų | 117 | 26.3 Ų | 26.3 | 55% | 0.547 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -71.1 | -28.4 | -177.8 | -67.5 | 168.1 | -160.9 | 0 | 0 | 113 | ||
| 85 | Y | 82 | Confident | 89.7 | Confident | 111 Ų | 111 | 26.4 Ų | 26.4 | 44% | 0.435 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -116 | 103 | -175.4 | -60.5 | -69.8 | 0 | 0 | 0 | 111.1 | Y81 G83 H87 F181 | Y81-Y85 PolarHBondContact OH-O 2.84Å; G83-Y85 VanDerWaalsContact C-N 3.33Å; G83-Y85 PolarHBondContact O-N 2.87Å; Y85-H87 PolarHBondContact O-CD2 2.85Å; Y85-H87 PolarHBondContact O-N 2.86Å; Y85-F181 HydrophobicContact CD2-CD2 4.13Å; Y85-F181 HydrophobicContact CD2-CE2 4.08Å |
| 86 | V | 78.1 | Confident | 89.8 | Confident | 60 Ų | 60 | 26.4 Ų | 26.4 | 36% | 0.364 | 13% | 0.128 | S | C | . | . | trans | -63.4 | 120.4 | 174.6 | -176.6 | 0 | 0 | 0 | 0 | 109.8 | V55 L90 A396 | V55-V86 HydrophobicContact CG2-CG2 4.4Å; V86-L90 HydrophobicContact CG1-CD2 4.07Å; V86-A396 HydrophobicContact CG1-CB 3.57Å | ||
| 87 | H | 77.5 | Confident | 89.9 | Confident | 41 Ų | 41 | 26.4 Ų | 26.4 | 19% | 0.19 | 13% | 0.128 | C | C | . | . | trans | -133.5 | 159.9 | 175.4 | 57.2 | 58.8 | 0 | 0 | 0 | 109.9 | Y85 W89 L90 | Y85-H87 PolarHBondContact O-CD2 2.85Å; Y85-H87 PolarHBondContact O-N 2.86Å; H87-W89 VanDerWaalsContact CE1-C 3.46Å; H87-W89 PolarHBondContact CE1-O 2.88Å; H87-W89 PolarHBondContact ND1-N 2.78Å; H87-W89 PolarHBondContact O-N 2.83Å; H87-L90 WeakPolarHBondContact O-CD2 3.41Å; H87-L90 WeakPolarHBondContact O-CG 3.37Å | ||
| 88 | N | 76.9 | Confident | 90 | Very high | 84 Ų | 84 | 26.4 Ų | 26.4 | 45% | 0.449 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -57.8 | -25.3 | -174.6 | -63.4 | -18 | 0 | 0 | 0 | 113.9 | L90 R393 Y394 | N88-L90 VanDerWaalsContact C-N 3.25Å; N88-L90 PolarHBondContact O-N 2.57Å; N88-L90 VanDerWaalsContact O-N 3.13Å; N88-R393 HydrophobicContact CB-CB 4.1Å; N88-R393 HydrophobicContact CB-CG 4.01Å; N88-R393 CarbonylContact O-C 3.46Å; N88-R393 VanDerWaalsContact O-CA 3.28Å; N88-R393 WeakPolarHBondContact O-CA 3.28Å; N88-Y394 PolarHBondContact O-N 3.43Å |
| 89 | W | 79.6 | Confident | 90 | Very high | 95 Ų | 95 | 26.4 Ų | 26.4 | 36% | 0.36 | 13% | 0.128 | S | C | . | . | trans | -88.5 | 40 | -172.2 | -54.3 | 53.9 | 0 | 0 | 0 | 112.5 | H87 A91 A92 D391 | H87-W89 VanDerWaalsContact CE1-C 3.46Å; H87-W89 PolarHBondContact CE1-O 2.88Å; H87-W89 PolarHBondContact ND1-N 2.78Å; H87-W89 PolarHBondContact O-N 2.83Å; W89-A91 PolarHBondContact O-N 3.38Å; W89-A91 VanDerWaalsContact O-N 3.09Å; W89-A92 HydrophobicContact CB-CB 4.46Å; W89-A92 VanDerWaalsContact O-CB 3.31Å; W89-A92 WeakPolarHBondContact O-CB 3.3Å; W89-A92 PolarHBondContact O-N 3.17Å; W89-D391 WeakPolarHBondContact CH2-OD1 3.33Å; W89-D391 WeakPolarHBondContact CZ3-OD1 3.39Å | ||
| 90 | L | 84 | Confident | 90 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -26.5 | -170.5 | -61.3 | -179.3 | 0 | 0 | 0 | 114.1 | A53 T73 F79 Y81 V86 H87 N88 A92 A396 | A53-L90 HydrophobicContact CB-CD1 3.67Å; T73-L90 HydrophobicContact CG2-CD1 3.98Å; F79-L90 HydrophobicContact CE2-CB 4.12Å; F79-L90 HydrophobicContact CZ-CB 4.23Å; Y81-L90 HydrophobicContact CD1-CD2 3.65Å; Y81-L90 HydrophobicContact CD2-CB 4.25Å; Y81-L90 HydrophobicContact CD2-CD2 3.92Å; Y81-L90 WeakPolarHBondContact CD2-O 3.46Å; Y81-L90 HydrophobicContact CE1-CD2 3.91Å; Y81-L90 HydrophobicContact CE2-CD2 4.18Å; Y81-L90 HydrophobicContact CG-CB 4.28Å; Y81-L90 HydrophobicContact CG-CD2 3.65Å; Y81-L90 HydrophobicContact CG-CG 4.47Å; V86-L90 HydrophobicContact CG1-CD2 4.07Å; H87-L90 WeakPolarHBondContact O-CD2 3.41Å; H87-L90 WeakPolarHBondContact O-CG 3.37Å; N88-L90 VanDerWaalsContact C-N 3.25Å; N88-L90 PolarHBondContact O-N 2.57Å; N88-L90 VanDerWaalsContact O-N 3.13Å; L90-A92 VanDerWaalsContact C-N 3.3Å; L90-A92 PolarHBondContact O-N 2.87Å; L90-A396 HydrophobicContact CD1-CB 4.44Å |
| 91 | A | 85 | Confident | 89.9 | Confident | 2 Ų | 2 | 26.4 Ų | 26.4 | 2% | 0.017 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -4.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | F79 W89 M100 P171 K173 Y394 | F79-A91 HydrophobicContact CE1-CB 4.23Å; F79-A91 HydrophobicContact CE2-CB 4.47Å; F79-A91 HydrophobicContact CZ-CB 3.85Å; W89-A91 PolarHBondContact O-N 3.38Å; W89-A91 VanDerWaalsContact O-N 3.09Å; A91-M100 HydrophobicContact CB-CE 4.04Å; A91-M100 HydrophobicContact CB-SD 3.86Å; A91-P171 HydrophobicContact CB-CG 4.22Å; A91-K173 PolarHBondContact O-NZ 3.43Å; A91-Y394 HydrophobicContact CB-CE2 4.34Å |
| 92 | A | 87.4 | Confident | 89.9 | Confident | 18 Ų | 18 | 26.6 Ų | 26.6 | 15% | 0.149 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -75.3 | -54.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | W89 L90 | W89-A92 HydrophobicContact CB-CB 4.46Å; W89-A92 VanDerWaalsContact O-CB 3.31Å; W89-A92 WeakPolarHBondContact O-CB 3.3Å; W89-A92 PolarHBondContact O-N 3.17Å; L90-A92 VanDerWaalsContact C-N 3.3Å; L90-A92 PolarHBondContact O-N 2.87Å |
| 93 | T | 91.6 | Very high | 90 | Very high | 13 Ų | 13 | 26.7 Ų | 26.7 | 8% | 0.08 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -150.9 | 172.4 | -175.6 | 62.7 | 0 | 0 | 0 | 0 | 110.4 | Y95 A179 I199 E201 | T93-Y95 VanDerWaalsContact C-N 3.35Å; T93-Y95 PolarHBondContact O-N 3.42Å; T93-A179 HydrophobicContact CG2-CB 4.07Å; T93-I199 HydrophobicContact CG2-CG2 4.15Å; T93-I199 WeakPolarHBondContact OG1-CG2 3.24Å; T93-E201 HydrophobicContact CG2-CB 4.1Å |
| 94 | Q | 95.2 | Very high | 90.2 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.009 | 13% | 0.126 | C | C | . | . | S | Bend | trans | 59.2 | 44.3 | 179.1 | -48.7 | -175.2 | -58 | 0 | 0 | 112.2 | Y81 V82 S177 D178 A179 | Y81-Q94 HydrophobicContact CD2-CB 4.23Å; Y81-Q94 VanDerWaalsContact CD2-O 3.31Å; Y81-Q94 WeakPolarHBondContact CD2-O 3.37Å; Y81-Q94 HydrophobicContact CE2-CB 3.77Å; Y81-Q94 PolarHBondContact OH-OE1 2.91Å; V82-Q94 VanDerWaalsContact CG2-O 3.31Å; V82-Q94 WeakPolarHBondContact CG2-O 3.36Å; V82-Q94 PolarHBondContact N-O 2.83Å; Q94-S177 CarbonylContact C-O 3.56Å; Q94-S177 WeakPolarHBondContact CA-O 3.48Å; Q94-S177 PolarHBondContact N-O 3.47Å; Q94-D178 WeakPolarHBondContact CG-OD1 3.47Å; Q94-A179 HydrophobicContact CG-CB 4Å; Q94-A179 PolarHBondContact NE2-O 2.72Å |
| 95 | Y | 96.8 | Very high | 90.7 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.008 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 155.7 | -178.1 | 65.8 | -102.4 | 0 | 0 | 0 | 112.4 | V80 T93 A97 M100 K173 L176 S177 | V80-Y95 CarbonylContact O-C 3.54Å; V80-Y95 VanDerWaalsContact O-CA 3.26Å; V80-Y95 WeakPolarHBondContact O-CA 3.34Å; T93-Y95 VanDerWaalsContact C-N 3.35Å; T93-Y95 PolarHBondContact O-N 3.42Å; Y95-A97 HydrophobicContact CD2-CB 3.6Å; Y95-A97 HydrophobicContact CE2-CB 3.86Å; Y95-M100 HydrophobicContact CD1-CE 4.04Å; Y95-M100 HydrophobicContact CD2-CE 3.91Å; Y95-M100 HydrophobicContact CE2-CE 4.42Å; Y95-M100 HydrophobicContact CG-CE 3.74Å; Y95-K173 HydrophobicContact CE1-CD 4.09Å; Y95-K173 HydrophobicContact CE2-CD 4.37Å; Y95-K173 WeakPolarHBondContact OH-CD 3.27Å; Y95-L176 WeakPolarHBondContact O-CA 3.43Å; Y95-S177 VanDerWaalsContact CZ-CB 3.43Å; Y95-S177 PolarHBondContact N-O 3.23Å; Y95-S177 PolarHBondContact O-N 3.35Å; Y95-S177 VanDerWaalsContact O-N 3.09Å |
| 96 | I | 98.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 109.5 | 166.7 | -55.8 | 177.8 | 0 | 0 | 0 | 106.7 | F62 F64 F79 V80 V82 P98 L143 L145 I151 F153 L176 | F62-I96 HydrophobicContact CE1-CD1 3.89Å; F62-I96 HydrophobicContact CZ-CD1 4.37Å; F64-I96 HydrophobicContact CD2-CD1 3.9Å; F64-I96 HydrophobicContact CD2-CG1 4.14Å; F64-I96 HydrophobicContact CE2-CD1 3.88Å; F64-I96 HydrophobicContact CE2-CG1 3.59Å; F64-I96 HydrophobicContact CZ-CG1 4.12Å; F79-I96 WeakPolarHBondContact CA-O 3.33Å; F79-I96 WeakPolarHBondContact CB-O 3.3Å; V80-I96 PolarHBondContact N-O 3.1Å; V80-I96 PolarHBondContact O-N 3.12Å; V82-I96 HydrophobicContact CG1-CD1 3.76Å; V82-I96 HydrophobicContact CG1-CG1 4.12Å; V82-I96 HydrophobicContact CG2-CD1 4.47Å; V82-I96 HydrophobicContact CG2-CG1 4.25Å; I96-P98 WeakPolarHBondContact O-CD 3.28Å; I96-L143 HydrophobicContact CB-CD2 4.35Å; I96-L143 HydrophobicContact CG2-CD1 3.57Å; I96-L143 HydrophobicContact CG2-CD2 3.83Å; I96-L143 HydrophobicContact CG2-CG 4.37Å; I96-L145 HydrophobicContact CD1-CD2 3.69Å; I96-I151 HydrophobicContact CD1-CD1 4.02Å; I96-I151 HydrophobicContact CG2-CG2 3.96Å; I96-F153 HydrophobicContact CG2-CE1 3.72Å; I96-F153 HydrophobicContact CG2-CZ 4.13Å; I96-L176 HydrophobicContact CB-CD2 4.09Å; I96-L176 HydrophobicContact CG1-CD2 4.06Å; I96-L176 HydrophobicContact CG2-CD2 3.67Å |
| 97 | A | 98.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 92.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | F79 Y95 L99 M100 V174 G175 | F79-A97 HydrophobicContact CB-CB 3.91Å; Y95-A97 HydrophobicContact CD2-CB 3.6Å; Y95-A97 HydrophobicContact CE2-CB 3.86Å; A97-L99 VanDerWaalsContact C-N 3.25Å; A97-L99 PolarHBondContact O-N 3.49Å; A97-M100 HydrophobicContact CB-CB 3.82Å; A97-M100 HydrophobicContact CB-CE 4.23Å; A97-V174 CarbonylContact O-C 3.54Å; A97-V174 WeakPolarHBondContact O-CA 3.39Å; A97-G175 PolarHBondContact N-O 3.3Å; A97-G175 PolarHBondContact O-N 3.43Å |
| 98 | P | 98.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | -39.4 | 166.3 | 27.5 | -37.7 | 0 | 0 | 0 | 111.1 | G78 I96 W126 F141 L143 F153 Y155 V174 | G78-P98 WeakPolarHBondContact O-CD 3.35Å; I96-P98 WeakPolarHBondContact O-CD 3.28Å; P98-W126 HydrophobicContact CG-CE3 4.38Å; P98-W126 HydrophobicContact CG-CH2 4.3Å; P98-W126 HydrophobicContact CG-CZ3 3.76Å; P98-F141 HydrophobicContact CB-CD2 3.92Å; P98-F141 HydrophobicContact CB-CE2 4.27Å; P98-F141 HydrophobicContact CG-CD2 3.83Å; P98-F141 HydrophobicContact CG-CE2 3.77Å; P98-L143 HydrophobicContact CG-CB 4.02Å; P98-F153 HydrophobicContact CB-CB 4.04Å; P98-F153 HydrophobicContact CB-CD1 3.71Å; P98-F153 HydrophobicContact CB-CD2 4.38Å; P98-F153 HydrophobicContact CB-CE1 4.24Å; P98-F153 HydrophobicContact CB-CG 3.8Å; P98-Y155 VanDerWaalsContact O-CE1 3.3Å; P98-Y155 WeakPolarHBondContact O-CE1 3.32Å; P98-Y155 VanDerWaalsContact O-CZ 3.32Å; P98-Y155 PolarHBondContact O-OH 2.87Å; P98-V174 WeakPolarHBondContact O-CG1 3.31Å |
| 99 | L | 98.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 95 | 168.7 | -180 | 55.6 | 0 | 0 | 0 | 109.4 | G78 A97 F103 F139 F141 Y155 V162 V174 | G78-L99 CarbonylContact C-O 3.47Å; G78-L99 VanDerWaalsContact CA-O 3.25Å; G78-L99 WeakPolarHBondContact CA-O 3.47Å; G78-L99 CarbonylContact O-C 3.51Å; G78-L99 VanDerWaalsContact O-C 3.25Å; G78-L99 PolarHBondContact O-N 3.17Å; A97-L99 VanDerWaalsContact C-N 3.25Å; A97-L99 PolarHBondContact O-N 3.49Å; L99-F103 HydrophobicContact CB-CE2 4.48Å; L99-F103 HydrophobicContact CD2-CE2 4.17Å; L99-F103 HydrophobicContact CD2-CZ 3.77Å; L99-F103 HydrophobicContact CG-CE2 3.95Å; L99-F103 HydrophobicContact CG-CZ 4.03Å; L99-F103 WeakPolarHBondContact O-CE2 3.49Å; L99-F139 HydrophobicContact CD2-CD1 3.65Å; L99-F139 HydrophobicContact CD2-CE1 3.96Å; L99-F141 HydrophobicContact CB-CD1 4.39Å; L99-F141 HydrophobicContact CB-CD2 4.4Å; L99-F141 HydrophobicContact CB-CE1 4.05Å; L99-F141 HydrophobicContact CB-CE2 4.05Å; L99-F141 HydrophobicContact CB-CZ 3.86Å; L99-F141 HydrophobicContact CD2-CD1 4.29Å; L99-F141 HydrophobicContact CD2-CE1 4.06Å; L99-F141 HydrophobicContact CG-CE1 4.45Å; L99-Y155 HydrophobicContact CB-CE1 4.39Å; L99-V162 HydrophobicContact CD1-CG1 3.96Å; L99-V162 HydrophobicContact CD1-CG2 4.21Å; L99-V174 HydrophobicContact CD1-CG2 3.81Å |
| 100 | M | 97.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 118.4 | 175.8 | -177.4 | -176.4 | -72.6 | 0 | 0 | 109.5 | G77 F79 A91 Y95 A97 P171 R172 K173 | G77-M100 CarbonylContact O-C 3.5Å; G77-M100 VanDerWaalsContact O-CA 3.24Å; G77-M100 WeakPolarHBondContact O-CA 3.42Å; F79-M100 HydrophobicContact CB-CB 4.35Å; F79-M100 HydrophobicContact CB-CE 3.72Å; F79-M100 HydrophobicContact CD1-CB 4.37Å; F79-M100 HydrophobicContact CD1-CE 3.51Å; F79-M100 HydrophobicContact CD1-CG 3.76Å; F79-M100 HydrophobicContact CD1-SD 4.3Å; F79-M100 HydrophobicContact CD2-CE 3.52Å; F79-M100 HydrophobicContact CE1-CE 3.92Å; F79-M100 HydrophobicContact CE1-CG 4.27Å; F79-M100 HydrophobicContact CE2-CE 3.94Å; F79-M100 HydrophobicContact CG-CE 3.29Å; F79-M100 HydrophobicContact CG-CG 4.34Å; F79-M100 HydrophobicContact CZ-CE 4.13Å; A91-M100 HydrophobicContact CB-CE 4.04Å; A91-M100 HydrophobicContact CB-SD 3.86Å; Y95-M100 HydrophobicContact CD1-CE 4.04Å; Y95-M100 HydrophobicContact CD2-CE 3.91Å; Y95-M100 HydrophobicContact CE2-CE 4.42Å; Y95-M100 HydrophobicContact CG-CE 3.74Å; A97-M100 HydrophobicContact CB-CB 3.82Å; A97-M100 HydrophobicContact CB-CE 4.23Å; M100-P171 CarbonylContact C-O 3.59Å; M100-P171 HydrophobicContact CG-CG 4.24Å; M100-P171 HydrophobicContact SD-CB 4.28Å; M100-P171 HydrophobicContact SD-CG 3.62Å; M100-R172 VanDerWaalsContact O-CA 3.27Å; M100-R172 WeakPolarHBondContact O-CA 3.41Å; M100-K173 HydrophobicContact CB-CB 4.09Å; M100-K173 WeakPolarHBondContact CB-O 3.28Å; M100-K173 PolarHBondContact N-O 2.94Å; M100-K173 PolarHBondContact O-N 3.24Å; M100-K173 VanDerWaalsContact O-N 3.08Å; M100-K173 HydrophobicContact SD-CB 4.27Å; M100-K173 HydrophobicContact SD-CD 3.88Å; M100-K173 HydrophobicContact SD-CG 4.28Å |
| 101 | A | 96.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -157.7 | 179.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G77 F103 L131 V165 H170 | G77-A101 WeakPolarHBondContact CA-O 3.16Å; G77-A101 PolarHBondContact O-N 3.19Å; A101-F103 HydrophobicContact CB-CD2 4.03Å; A101-F103 HydrophobicContact CB-CE2 3.71Å; A101-F103 HydrophobicContact CB-CZ 4.01Å; A101-F103 PolarHBondContact O-N 2.6Å; A101-L131 HydrophobicContact CB-CD2 3.64Å; A101-V165 HydrophobicContact CB-CG1 3.81Å; A101-H170 PolarHBondContact O-CE1 2.94Å; A101-H170 PolarHBondContact O-ND1 3.33Å |
| 102 | N | 95.7 | Very high | 94.8 | Very high | 4 Ų | 4 | 26.7 Ų | 26.7 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | trans | -75.9 | 47.5 | -178.1 | -159.5 | 27.3 | 0 | 0 | 0 | 113.4 | Y50 R132 H170 | Y50-N102 WeakPolarHBondContact CE2-OD1 3.21Å; Y50-N102 PolarHBondContact OH-OD1 2.78Å; N102-R132 PolarHBondContact O-N 3.32Å; N102-H170 HydrophobicContact CB-CB 3.47Å; N102-H170 VanDerWaalsContact CB-CB 3.47Å | ||
| 103 | F | 96.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.009 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 142.1 | 179.3 | -65.5 | -58.4 | 0 | 0 | 0 | 111.7 | T76 L99 A101 V129 V130 L131 F139 F141 | T76-F103 WeakPolarHBondContact O-CB 3.48Å; L99-F103 HydrophobicContact CB-CE2 4.48Å; L99-F103 HydrophobicContact CD2-CE2 4.17Å; L99-F103 HydrophobicContact CD2-CZ 3.77Å; L99-F103 HydrophobicContact CG-CE2 3.95Å; L99-F103 HydrophobicContact CG-CZ 4.03Å; L99-F103 WeakPolarHBondContact O-CE2 3.49Å; A101-F103 HydrophobicContact CB-CD2 4.03Å; A101-F103 HydrophobicContact CB-CE2 3.71Å; A101-F103 HydrophobicContact CB-CZ 4.01Å; A101-F103 PolarHBondContact O-N 2.6Å; F103-V129 HydrophobicContact CB-CB 4.34Å; F103-V129 HydrophobicContact CB-CG2 4.35Å; F103-V129 HydrophobicContact CD1-CB 4.05Å; F103-V129 HydrophobicContact CD1-CG2 3.54Å; F103-V129 HydrophobicContact CD2-CG2 4.2Å; F103-V129 HydrophobicContact CE1-CG2 3.79Å; F103-V129 HydrophobicContact CE2-CG2 4.38Å; F103-V129 HydrophobicContact CG-CB 4.26Å; F103-V129 HydrophobicContact CG-CG2 3.78Å; F103-V129 HydrophobicContact CZ-CG2 4.2Å; F103-V130 WeakPolarHBondContact CA-O 3.5Å; F103-L131 HydrophobicContact CD1-CD2 3.72Å; F103-L131 HydrophobicContact CD1-CG 4.14Å; F103-L131 HydrophobicContact CE1-CD2 3.56Å; F103-L131 HydrophobicContact CE1-CG 3.87Å; F103-L131 HydrophobicContact CG-CD2 4.39Å; F103-L131 HydrophobicContact CZ-CD2 4.14Å; F103-F139 HydrophobicContact CE1-CB 3.84Å; F103-F139 HydrophobicContact CE1-CD1 4.32Å; F103-F139 AromaticContact CE1-CD2 3.6Å; F103-F139 HydrophobicContact CE1-CD2 3.6Å; F103-F139 HydrophobicContact CE1-CE2 4.17Å; F103-F139 AromaticContact CE1-CG 3.67Å; F103-F139 HydrophobicContact CE1-CG 3.67Å; F103-F139 HydrophobicContact CZ-CB 3.99Å; F103-F139 HydrophobicContact CZ-CD1 4.1Å; F103-F139 HydrophobicContact CZ-CD2 4.22Å; F103-F139 AromaticContact CZ-CG 3.86Å; F103-F139 HydrophobicContact CZ-CG 3.86Å; F103-F141 HydrophobicContact CD2-CZ 4.28Å; F103-F141 AromaticContact CE2-CE1 3.72Å; F103-F141 HydrophobicContact CE2-CE1 3.72Å; F103-F141 AromaticContact CE2-CZ 3.69Å; F103-F141 HydrophobicContact CE2-CZ 3.69Å; F103-F141 AromaticContact CZ-CE1 3.84Å; F103-F141 HydrophobicContact CZ-CE1 3.84Å; F103-F141 HydrophobicContact CZ-CZ 4.29Å |
| 104 | D | 94.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 110.5 | 180 | -174.4 | -10.6 | 0 | 0 | 0 | 109.5 | Y50 M106 V107 V130 R132 | Y50-D104 HydrophobicContact CD2-CB 3.74Å; Y50-D104 HydrophobicContact CE2-CB 4.33Å; D104-M106 PolarHBondContact O-N 3.06Å; D104-M106 WeakPolarHBondContact OD1-CB 3.36Å; D104-M106 WeakPolarHBondContact OD1-CG 3.47Å; D104-M106 PolarHBondContact OD1-N 3.22Å; D104-V107 HydrophobicContact CB-CG2 3.76Å; D104-V107 PolarHBondContact O-N 3.46Å; D104-V130 PolarHBondContact N-O 2.6Å; D104-R132 HydrophobicContact CB-CB 3.87Å; D104-R132 HydrophobicContact CB-CG 4.3Å; D104-R132 WeakPolarHBondContact OD2-CD 3.36Å; D104-R132 IonicContact OD2-CZ 2.82Å; D104-R132 IonicContact OD2-NE 2.86Å; D104-R132 IonicContact OD2-NH1 3.69Å; D104-R132 PolarHBondContact OD2-NH1 2.83Å |
| 105 | T | 94.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -5.3 | -179.1 | 61.1 | 0 | 0 | 0 | 0 | 112.5 | L46 N48 S49 V107 I113 V129 | L46-T105 WeakPolarHBondContact O-CB 3.34Å; L46-T105 WeakPolarHBondContact O-CG2 3.21Å; L46-T105 PolarHBondContact O-OG1 3.21Å; N48-T105 PolarHBondContact N-OG1 2.75Å; S49-T105 PolarHBondContact N-OG1 3.15Å; S49-T105 PolarHBondContact O-N 3.45Å; S49-T105 PolarHBondContact O-OG1 2.87Å; T105-V107 VanDerWaalsContact C-N 3.29Å; T105-I113 HydrophobicContact CG2-CD1 4.27Å; T105-I113 HydrophobicContact CG2-CG1 4.33Å; T105-V129 HydrophobicContact CG2-CG1 4.03Å |
| 106 | M | 93.6 | Very high | 95.7 | Very high | 107 Ų | 107 | 26 Ų | 26 | 53% | 0.527 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -15.4 | 172.9 | -56.7 | -178.5 | 60.4 | 0 | 0 | 112.9 | N48 S49 D104 | N48-M106 WeakPolarHBondContact OD1-CG 3.41Å; S49-M106 VanDerWaalsContact N-CG 3.33Å; D104-M106 PolarHBondContact O-N 3.06Å; D104-M106 WeakPolarHBondContact OD1-CB 3.36Å; D104-M106 WeakPolarHBondContact OD1-CG 3.47Å; D104-M106 PolarHBondContact OD1-N 3.22Å |
| 107 | V | 91.6 | Very high | 95.7 | Very high | 51 Ų | 51 | 26.3 Ų | 26.3 | 31% | 0.309 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -71.5 | -32.9 | -173.1 | 176.1 | 0 | 0 | 0 | 0 | 111.9 | D104 T105 V130 | D104-V107 HydrophobicContact CB-CG2 3.76Å; D104-V107 PolarHBondContact O-N 3.46Å; T105-V107 VanDerWaalsContact C-N 3.29Å; V107-V130 HydrophobicContact CB-CB 4.25Å; V107-V130 HydrophobicContact CG1-CB 4.06Å; V107-V130 HydrophobicContact CG1-CG1 3.97Å |
| 108 | S | 91.2 | Very high | 95.6 | Very high | 34 Ų | 34 | 28 Ų | 28 | 24% | 0.238 | 14% | 0.144 | C | C | . | . | trans | -139.7 | 140.6 | 179.1 | 179.7 | 0 | 0 | 0 | 0 | 110.7 | D110 S111 | S108-D110 PolarHBondContact O-N 2.75Å; S108-D110 PolarHBondContact OG-N 2.82Å; S108-S111 WeakPolarHBondContact O-CB 3.27Å; S108-S111 PolarHBondContact O-N 2.76Å | ||
| 109 | E | 89.6 | Confident | 95.5 | Very high | 173 Ų | 173 | 29.1 Ų | 29.1 | 81% | 0.808 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -21 | 174.8 | -63.1 | -169 | 165.3 | 0 | 0 | 113.1 | K42 S111 | K42-E109 PolarHBondContact NZ-O 2.93Å; E109-S111 VanDerWaalsContact C-N 3.32Å |
| 110 | D | 93 | Very high | 95.4 | Very high | 105 Ų | 105 | 34.3 Ų | 34.3 | 56% | 0.561 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -13.5 | 175.2 | -61.5 | -37.5 | 0 | 0 | 0 | 112.5 | S108 F112 N127 | S108-D110 PolarHBondContact O-N 2.75Å; S108-D110 PolarHBondContact OG-N 2.82Å; D110-F112 WeakPolarHBondContact O-CD1 3.37Å; D110-F112 VanDerWaalsContact O-CE1 3.27Å; D110-F112 WeakPolarHBondContact O-CE1 3.28Å; D110-F112 PolarHBondContact O-N 3.28Å; D110-N127 PolarHBondContact O-ND2 3.35Å |
| 111 | S | 95.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -81.6 | 110.2 | 175.2 | -63.2 | 0 | 0 | 0 | 0 | 109.9 | S108 E109 N127 S128 | S108-S111 WeakPolarHBondContact O-CB 3.27Å; S108-S111 PolarHBondContact O-N 2.76Å; E109-S111 VanDerWaalsContact C-N 3.32Å; S111-N127 WeakPolarHBondContact CA-O 3.09Å; S111-S128 WeakPolarHBondContact CA-O 3.26Å; S111-S128 WeakPolarHBondContact CB-O 3.45Å; S111-S128 PolarHBondContact OG-O 2.85Å | ||
| 112 | F | 96.2 | Very high | 95.4 | Very high | 48 Ų | 48 | 35.4 Ų | 35.4 | 21% | 0.211 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 159.6 | 178.1 | 55.8 | -90.6 | 0 | 0 | 0 | 112.5 | I41 K42 S47 D110 L114 N127 | I41-F112 WeakPolarHBondContact O-CD2 3.42Å; I41-F112 WeakPolarHBondContact O-CE2 3.46Å; K42-F112 HydrophobicContact CD-CB 4.27Å; K42-F112 HydrophobicContact CD-CG 4.49Å; K42-F112 HydrophobicContact CG-CB 3.95Å; K42-F112 HydrophobicContact CG-CG 4.37Å; S47-F112 WeakPolarHBondContact OG-CB 3.28Å; D110-F112 WeakPolarHBondContact O-CD1 3.37Å; D110-F112 VanDerWaalsContact O-CE1 3.27Å; D110-F112 WeakPolarHBondContact O-CE1 3.28Å; D110-F112 PolarHBondContact O-N 3.28Å; F112-L114 HydrophobicContact CD2-CD2 3.84Å; F112-L114 HydrophobicContact CE2-CD1 4.4Å; F112-L114 HydrophobicContact CE2-CD2 3.76Å; F112-N127 HydrophobicContact CD2-CB 4.29Å; F112-N127 WeakPolarHBondContact CE1-ND2 3.45Å; F112-N127 HydrophobicContact CE2-CB 4.08Å; F112-N127 HydrophobicContact CZ-CB 4.26Å; F112-N127 WeakPolarHBondContact CZ-ND2 3.42Å; F112-N127 PolarHBondContact N-O 3.25Å; F112-N127 VanDerWaalsContact N-O 3.13Å; F112-N127 PolarHBondContact O-N 3.17Å |
| 113 | I | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 130.1 | 177.9 | -62.9 | 173.7 | 0 | 0 | 0 | 107.5 | H43 L46 S47 I74 T76 T105 V124 E125 W126 | H43-I113 VanDerWaalsContact CB-O 3.26Å; H43-I113 WeakPolarHBondContact CB-O 3.4Å; H43-I113 PolarHBondContact N-O 3.26Å; L46-I113 HydrophobicContact CB-CB 4.15Å; L46-I113 HydrophobicContact CB-CD1 4.04Å; L46-I113 HydrophobicContact CD1-CD1 4.45Å; L46-I113 HydrophobicContact CD1-CG2 4.19Å; S47-I113 PolarHBondContact OG-N 2.98Å; I74-I113 HydrophobicContact CG2-CG2 4.09Å; T76-I113 HydrophobicContact CG2-CD1 4.37Å; T105-I113 HydrophobicContact CG2-CD1 4.27Å; T105-I113 HydrophobicContact CG2-CG1 4.33Å; I113-V124 HydrophobicContact CG2-CG2 3.81Å; I113-E125 WeakPolarHBondContact CA-O 3.49Å; I113-W126 HydrophobicContact CD1-CG 4.38Å; I113-W126 HydrophobicContact CG1-CG 4.23Å |
| 114 | L | 97.3 | Very high | 95.6 | Very high | 6 Ų | 6 | 35.1 Ų | 35.1 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 153.5 | 179.8 | 64.5 | 163 | 0 | 0 | 0 | 109.8 | I27 E40 I41 F112 V124 E125 N127 | I27-L114 HydrophobicContact CB-CD1 3.87Å; I27-L114 HydrophobicContact CB-CG 4.47Å; I27-L114 HydrophobicContact CD1-CD1 4.12Å; I27-L114 HydrophobicContact CD1-CG 3.82Å; I27-L114 HydrophobicContact CG2-CD1 3.79Å; I27-L114 HydrophobicContact CG2-CG 4.29Å; E40-L114 VanDerWaalsContact O-CA 3.28Å; E40-L114 WeakPolarHBondContact O-CA 3.27Å; E40-L114 WeakPolarHBondContact O-CB 3.33Å; I41-L114 WeakPolarHBondContact O-CB 3.45Å; F112-L114 HydrophobicContact CD2-CD2 3.84Å; F112-L114 HydrophobicContact CE2-CD1 4.4Å; F112-L114 HydrophobicContact CE2-CD2 3.76Å; L114-V124 WeakPolarHBondContact O-CA 3.49Å; L114-E125 HydrophobicContact CD2-CB 3.59Å; L114-E125 HydrophobicContact CD2-CG 3.82Å; L114-E125 HydrophobicContact CG-CB 3.92Å; L114-E125 PolarHBondContact N-O 2.94Å; L114-E125 VanDerWaalsContact N-O 3.13Å; L114-E125 PolarHBondContact O-N 2.98Å; L114-N127 HydrophobicContact CD2-CB 3.74Å |
| 115 | Y | 97.7 | Very high | 95.8 | Very high | 16 Ų | 16 | 35.7 Ų | 35.7 | 6% | 0.063 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 158.4 | -179 | 72.3 | -87.2 | 0 | 0 | 0 | 112.1 | G39 E40 H43 Q56 F122 V123 | G39-Y115 CarbonylContact C-O 3.53Å; G39-Y115 WeakPolarHBondContact CA-O 3.37Å; E40-Y115 HydrophobicContact CB-CD1 4.32Å; E40-Y115 HydrophobicContact CB-CE1 3.79Å; E40-Y115 HydrophobicContact CG-CE1 3.95Å; E40-Y115 PolarHBondContact N-O 2.79Å; E40-Y115 PolarHBondContact O-N 2.99Å; E40-Y115 VanDerWaalsContact O-N 3.08Å; E40-Y115 PolarHBondContact OE1-OH 3.06Å; H43-Y115 AromaticContact CD2-CE1 3.73Å; Q56-Y115 HydrophobicContact CG-CE2 4.23Å; Q56-Y115 VanDerWaalsContact OE1-CZ 3.23Å; Q56-Y115 PolarHBondContact OE1-OH 2.9Å; Y115-F122 AromaticContact CD2-CE2 3.49Å; Y115-F122 HydrophobicContact CD2-CE2 3.49Å; Y115-F122 VanDerWaalsContact CD2-CE2 3.49Å; Y115-F122 AromaticContact CD2-CZ 3.66Å; Y115-F122 HydrophobicContact CD2-CZ 3.66Å; Y115-F122 HydrophobicContact CE2-CE2 4.2Å; Y115-F122 HydrophobicContact CG-CE2 4.23Å; Y115-F122 AromaticContact CG-CZ 3.93Å; Y115-F122 HydrophobicContact CG-CZ 3.93Å; Y115-V123 CarbonylContact C-O 3.45Å; Y115-V123 WeakPolarHBondContact CA-O 3.39Å; Y115-V123 VanDerWaalsContact CB-O 3.27Å; Y115-V123 WeakPolarHBondContact CB-O 3.47Å |
| 116 | A | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 141.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | I27 L30 L31 V37 K38 F122 V123 | I27-A116 HydrophobicContact CG1-CB 4.29Å; I27-A116 HydrophobicContact CG2-CB 4.07Å; L30-A116 HydrophobicContact CB-CB 4.38Å; L30-A116 HydrophobicContact CD1-CB 4.26Å; L31-A116 HydrophobicContact CD2-CB 4.23Å; L31-A116 HydrophobicContact CG-CB 4.41Å; V37-A116 HydrophobicContact CG1-CB 4.03Å; K38-A116 CarbonylContact O-C 3.59Å; K38-A116 WeakPolarHBondContact O-CA 3.49Å; A116-F122 CarbonylContact O-C 3.58Å; A116-F122 WeakPolarHBondContact O-CA 3.18Å; A116-V123 PolarHBondContact N-O 2.87Å; A116-V123 PolarHBondContact O-N 2.83Å |
| 117 | D | 97.7 | Very high | 96.2 | Very high | 6 Ų | 6 | 31.7 Ų | 31.7 | 3% | 0.032 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 115.3 | 174.6 | -171.8 | -22.4 | 0 | 0 | 0 | 109 | V37 K38 L58 S59 G119 F122 | V37-D117 WeakPolarHBondContact CA-O 3.47Å; V37-D117 WeakPolarHBondContact CG1-O 3.43Å; K38-D117 PolarHBondContact N-O 2.79Å; K38-D117 PolarHBondContact O-N 3.09Å; L58-D117 WeakPolarHBondContact CA-OD2 3.35Å; S59-D117 WeakPolarHBondContact CB-OD1 3.21Å; S59-D117 WeakPolarHBondContact CB-OD2 3.35Å; S59-D117 PolarHBondContact N-OD2 2.9Å; S59-D117 VanDerWaalsContact OG-CG 3.24Å; S59-D117 PolarHBondContact OG-OD1 3.05Å; S59-D117 PolarHBondContact OG-OD2 2.84Å; D117-G119 PolarHBondContact OD1-N 3.36Å; D117-F122 HydrophobicContact CB-CD2 3.79Å; D117-F122 HydrophobicContact CB-CE2 4.32Å |
| 118 | T | 96.5 | Very high | 96.5 | Very high | 34 Ų | 34 | 30.2 Ų | 30.2 | 21% | 0.209 | 16% | 0.163 | C | C | . | . | trans | -96.4 | -8.1 | -176.1 | 68.2 | 0 | 0 | 0 | 0 | 114.3 | L30 V37 D120 M121 | L30-T118 HydrophobicContact CD1-CG2 4.34Å; L30-T118 HydrophobicContact CD2-CG2 4.37Å; V37-T118 HydrophobicContact CG1-CG2 4.23Å; V37-T118 HydrophobicContact CG2-CG2 4.18Å; T118-D120 PolarHBondContact OG1-N 3.34Å; T118-M121 HydrophobicContact CG2-CE 4.22Å; T118-M121 HydrophobicContact CG2-CG 4.32Å; T118-M121 PolarHBondContact N-O 2.68Å; T118-M121 WeakPolarHBondContact OG1-CG 3.25Å; T118-M121 PolarHBondContact OG1-N 2.93Å; T118-M121 VanDerWaalsContact OG1-N 3.17Å; T118-M121 PolarHBondContact OG1-O 2.83Å | ||
| 119 | G | 95.9 | Very high | 96.8 | Very high | 25 Ų | 25 | 28.6 Ų | 28.6 | 26% | 0.258 | 15% | 0.152 | S | C | . | . | S | Bend | trans | 98.7 | -33.7 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | S59 F60 D117 | S59-G119 WeakPolarHBondContact OG-CA 3.39Å; S59-G119 PolarHBondContact OG-N 2.89Å; F60-G119 WeakPolarHBondContact CD1-O 3.42Å; D117-G119 PolarHBondContact OD1-N 3.36Å |
| 120 | D | 96.3 | Very high | 97.1 | Very high | 108 Ų | 108 | 20.7 Ų | 20.7 | 58% | 0.578 | 12% | 0.116 | S | C | * | . | S | Bend | trans | -111.6 | -23.7 | -178.8 | -68.3 | -38.6 | 0 | 0 | 0 | 112.8 | T118 K147 | T118-D120 PolarHBondContact OG1-N 3.34Å; D120-K147 VanDerWaalsContact O-CB 3.32Å; D120-K147 WeakPolarHBondContact O-CB 3.42Å; D120-K147 PolarHBondContact O-N 2.89Å |
| 121 | M | 97.5 | Very high | 97.2 | Very high | 22 Ų | 22 | 15.9 Ų | 15.9 | 11% | 0.108 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 155.3 | 173.1 | 67.3 | -179.4 | -161.4 | 0 | 0 | 111.7 | Q25 L30 T118 V123 T144 L145 | Q25-M121 HydrophobicContact CB-CE 4.28Å; Q25-M121 HydrophobicContact CG-CE 3.67Å; Q25-M121 HydrophobicContact CG-SD 4.35Å; L30-M121 HydrophobicContact CD1-CE 3.87Å; L30-M121 HydrophobicContact CD2-CE 4.4Å; T118-M121 HydrophobicContact CG2-CE 4.22Å; T118-M121 HydrophobicContact CG2-CG 4.32Å; T118-M121 PolarHBondContact N-O 2.68Å; T118-M121 WeakPolarHBondContact OG1-CG 3.25Å; T118-M121 PolarHBondContact OG1-N 2.93Å; T118-M121 VanDerWaalsContact OG1-N 3.17Å; T118-M121 PolarHBondContact OG1-O 2.83Å; M121-V123 HydrophobicContact CE-CG2 3.78Å; M121-V123 HydrophobicContact CG-CG2 4.46Å; M121-V123 HydrophobicContact SD-CG2 4.32Å; M121-T144 HydrophobicContact CB-CG2 4Å; M121-T144 HydrophobicContact CG-CG2 4.37Å; M121-T144 HydrophobicContact SD-CG2 4Å; M121-L145 CarbonylContact C-O 3.53Å; M121-L145 WeakPolarHBondContact CA-O 3.18Å |
| 122 | F | 98.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 0% | 0.004 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 123.2 | 173.2 | -179.5 | -89.7 | 0 | 0 | 0 | 109.2 | Q56 L58 F60 I72 I74 Y115 A116 D117 V124 T144 L145 | Q56-F122 HydrophobicContact CG-CE2 3.64Å; Q56-F122 HydrophobicContact CG-CZ 3.75Å; L58-F122 HydrophobicContact CD2-CB 3.69Å; L58-F122 HydrophobicContact CD2-CD1 4.01Å; L58-F122 HydrophobicContact CD2-CD2 3.34Å; L58-F122 HydrophobicContact CD2-CE2 3.95Å; L58-F122 HydrophobicContact CD2-CG 3.39Å; F60-F122 HydrophobicContact CE1-CB 4.13Å; F60-F122 HydrophobicContact CZ-CB 3.98Å; I72-F122 HydrophobicContact CD1-CD1 3.77Å; I72-F122 HydrophobicContact CD1-CE1 3.54Å; I72-F122 HydrophobicContact CD1-CG 4.49Å; I72-F122 HydrophobicContact CD1-CZ 4.09Å; I74-F122 HydrophobicContact CD1-CE1 4.27Å; I74-F122 HydrophobicContact CD1-CZ 3.96Å; Y115-F122 AromaticContact CD2-CE2 3.49Å; Y115-F122 HydrophobicContact CD2-CE2 3.49Å; Y115-F122 VanDerWaalsContact CD2-CE2 3.49Å; Y115-F122 AromaticContact CD2-CZ 3.66Å; Y115-F122 HydrophobicContact CD2-CZ 3.66Å; Y115-F122 HydrophobicContact CE2-CE2 4.2Å; Y115-F122 HydrophobicContact CG-CE2 4.23Å; Y115-F122 AromaticContact CG-CZ 3.93Å; Y115-F122 HydrophobicContact CG-CZ 3.93Å; A116-F122 CarbonylContact O-C 3.58Å; A116-F122 WeakPolarHBondContact O-CA 3.18Å; D117-F122 HydrophobicContact CB-CD2 3.79Å; D117-F122 HydrophobicContact CB-CE2 4.32Å; F122-V124 HydrophobicContact CE1-CB 4.02Å; F122-V124 HydrophobicContact CE1-CG1 4.35Å; F122-T144 CarbonylContact O-C 3.6Å; F122-T144 WeakPolarHBondContact O-CA 3.28Å; F122-L145 HydrophobicContact CB-CB 4.38Å; F122-L145 HydrophobicContact CD1-CD1 4.45Å; F122-L145 PolarHBondContact N-O 2.74Å; F122-L145 PolarHBondContact O-N 2.92Å |
| 123 | V | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 131.8 | 179.9 | -169.8 | 0 | 0 | 0 | 0 | 108.8 | Q25 I27 L30 Y115 A116 M121 Q142 L143 T144 | Q25-V123 HydrophobicContact CB-CG1 4.14Å; Q25-V123 HydrophobicContact CB-CG2 3.89Å; Q25-V123 HydrophobicContact CG-CG2 3.95Å; I27-V123 HydrophobicContact CD1-CB 4.36Å; I27-V123 HydrophobicContact CD1-CG1 4Å; I27-V123 HydrophobicContact CG1-CB 4.28Å; I27-V123 HydrophobicContact CG1-CG1 4.12Å; L30-V123 HydrophobicContact CD1-CG2 4.39Å; Y115-V123 CarbonylContact C-O 3.45Å; Y115-V123 WeakPolarHBondContact CA-O 3.39Å; Y115-V123 VanDerWaalsContact CB-O 3.27Å; Y115-V123 WeakPolarHBondContact CB-O 3.47Å; A116-V123 PolarHBondContact N-O 2.87Å; A116-V123 PolarHBondContact O-N 2.83Å; M121-V123 HydrophobicContact CE-CG2 3.78Å; M121-V123 HydrophobicContact CG-CG2 4.46Å; M121-V123 HydrophobicContact SD-CG2 4.32Å; V123-Q142 HydrophobicContact CG1-CG 4.37Å; V123-L143 CarbonylContact C-O 3.52Å; V123-L143 WeakPolarHBondContact CA-O 3.29Å; V123-T144 HydrophobicContact CG2-CG2 3.92Å |
| 124 | V | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 137.5 | 167.1 | 59.1 | 0 | 0 | 0 | 0 | 109.7 | I74 V80 I113 L114 F122 W126 Q142 L143 | I74-V124 HydrophobicContact CD1-CG2 4.17Å; I74-V124 HydrophobicContact CG1-CG2 4.45Å; I74-V124 HydrophobicContact CG2-CG2 3.94Å; V80-V124 HydrophobicContact CG2-CG1 4.28Å; I113-V124 HydrophobicContact CG2-CG2 3.81Å; L114-V124 WeakPolarHBondContact O-CA 3.49Å; F122-V124 HydrophobicContact CE1-CB 4.02Å; F122-V124 HydrophobicContact CE1-CG1 4.35Å; V124-W126 HydrophobicContact CB-CZ3 4.46Å; V124-W126 HydrophobicContact CG1-CH2 3.6Å; V124-W126 HydrophobicContact CG1-CZ3 3.58Å; V124-W126 HydrophobicContact CG2-CE3 4.48Å; V124-W126 HydrophobicContact CG2-CH2 4.14Å; V124-W126 HydrophobicContact CG2-CZ2 4.38Å; V124-W126 HydrophobicContact CG2-CZ3 4.2Å; V124-Q142 CarbonylContact O-C 3.55Å; V124-Q142 VanDerWaalsContact O-CA 3.3Å; V124-Q142 WeakPolarHBondContact O-CA 3.44Å; V124-L143 HydrophobicContact CG1-CB 3.74Å; V124-L143 HydrophobicContact CG1-CD2 4.05Å; V124-L143 HydrophobicContact CG1-CG 4.16Å; V124-L143 PolarHBondContact N-O 3.41Å; V124-L143 PolarHBondContact O-N 3.43Å |
| 125 | E | 98.6 | Very high | 95.6 | Very high | 13 Ų | 13 | 30.7 Ų | 30.7 | 6% | 0.061 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 130.3 | 178.8 | -176.2 | 176.2 | 152.8 | 0 | 0 | 109.5 | W24 I27 I113 L114 N127 F141 Q142 | W24-E125 HydrophobicContact CH2-CG 4.27Å; I27-E125 HydrophobicContact CD1-CB 3.75Å; I113-E125 WeakPolarHBondContact CA-O 3.49Å; L114-E125 HydrophobicContact CD2-CB 3.59Å; L114-E125 HydrophobicContact CD2-CG 3.82Å; L114-E125 HydrophobicContact CG-CB 3.92Å; L114-E125 PolarHBondContact N-O 2.94Å; L114-E125 VanDerWaalsContact N-O 3.13Å; L114-E125 PolarHBondContact O-N 2.98Å; E125-N127 HydrophobicContact CG-CB 4.23Å; E125-N127 PolarHBondContact OE1-OD1 2.91Å; E125-F141 WeakPolarHBondContact CA-O 3.33Å; E125-Q142 HydrophobicContact CB-CG 3.72Å; E125-Q142 HydrophobicContact CG-CG 3.77Å; E125-Q142 PolarHBondContact OE2-NE2 3.48Å |
| 126 | W | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 96.3 | 163.6 | -70.3 | -99.9 | 0 | 0 | 0 | 106.5 | I74 A75 G78 V80 P98 I113 V124 V129 T140 F141 L143 | I74-W126 HydrophobicContact CG2-CZ2 3.96Å; A75-W126 PolarHBondContact O-NE1 3.48Å; G78-W126 VanDerWaalsContact CA-CE2 3.49Å; V80-W126 HydrophobicContact CG2-CH2 4.1Å; P98-W126 HydrophobicContact CG-CE3 4.38Å; P98-W126 HydrophobicContact CG-CH2 4.3Å; P98-W126 HydrophobicContact CG-CZ3 3.76Å; I113-W126 HydrophobicContact CD1-CG 4.38Å; I113-W126 HydrophobicContact CG1-CG 4.23Å; V124-W126 HydrophobicContact CB-CZ3 4.46Å; V124-W126 HydrophobicContact CG1-CH2 3.6Å; V124-W126 HydrophobicContact CG1-CZ3 3.58Å; V124-W126 HydrophobicContact CG2-CE3 4.48Å; V124-W126 HydrophobicContact CG2-CH2 4.14Å; V124-W126 HydrophobicContact CG2-CZ2 4.38Å; V124-W126 HydrophobicContact CG2-CZ3 4.2Å; W126-V129 HydrophobicContact CB-CG1 3.86Å; W126-V129 HydrophobicContact CB-CG2 3.94Å; W126-T140 WeakPolarHBondContact O-CA 3.49Å; W126-F141 HydrophobicContact CB-CD2 4.46Å; W126-F141 HydrophobicContact CB-CE1 4.06Å; W126-F141 HydrophobicContact CB-CE2 3.93Å; W126-F141 HydrophobicContact CB-CZ 3.71Å; W126-F141 HydrophobicContact CD2-CD2 4.47Å; W126-F141 AromaticContact CD2-CE2 3.68Å; W126-F141 HydrophobicContact CD2-CE2 3.68Å; W126-F141 HydrophobicContact CD2-CZ 4.1Å; W126-F141 AromaticContact CE3-CD2 3.8Å; W126-F141 HydrophobicContact CE3-CD2 3.8Å; W126-F141 AromaticContact CE3-CE2 3.36Å; W126-F141 HydrophobicContact CE3-CE2 3.36Å; W126-F141 HydrophobicContact CE3-CZ 4.23Å; W126-F141 AromaticContact CG-CE2 3.93Å; W126-F141 HydrophobicContact CG-CE2 3.93Å; W126-F141 AromaticContact CG-CZ 3.88Å; W126-F141 HydrophobicContact CG-CZ 3.88Å; W126-F141 HydrophobicContact CZ3-CD2 4.46Å; W126-F141 HydrophobicContact CZ3-CE2 4.07Å; W126-F141 PolarHBondContact N-O 3.4Å; W126-F141 PolarHBondContact O-N 3.25Å; W126-L143 HydrophobicContact CZ3-CB 4Å |
| 127 | N | 98 | Very high | 94.8 | Very high | 24 Ų | 24 | 36.2 Ų | 36.2 | 13% | 0.128 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 125.5 | -175.1 | 178 | 69.9 | 0 | 0 | 0 | 110.8 | D110 S111 F112 L114 E125 V129 | D110-N127 PolarHBondContact O-ND2 3.35Å; S111-N127 WeakPolarHBondContact CA-O 3.09Å; F112-N127 HydrophobicContact CD2-CB 4.29Å; F112-N127 WeakPolarHBondContact CE1-ND2 3.45Å; F112-N127 HydrophobicContact CE2-CB 4.08Å; F112-N127 HydrophobicContact CZ-CB 4.26Å; F112-N127 WeakPolarHBondContact CZ-ND2 3.42Å; F112-N127 PolarHBondContact N-O 3.25Å; F112-N127 VanDerWaalsContact N-O 3.13Å; F112-N127 PolarHBondContact O-N 3.17Å; L114-N127 HydrophobicContact CD2-CB 3.74Å; E125-N127 HydrophobicContact CG-CB 4.23Å; E125-N127 PolarHBondContact OE1-OD1 2.91Å; N127-V129 PolarHBondContact O-N 2.82Å; N127-V129 VanDerWaalsContact O-N 3.12Å |
| 128 | S | 97.3 | Very high | 94.8 | Very high | 20 Ų | 20 | 39.1 Ų | 39.1 | 14% | 0.14 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 48.2 | 40.3 | 174.6 | -67.9 | 0 | 0 | 0 | 0 | 113.7 | S111 F139 T140 | S111-S128 WeakPolarHBondContact CA-O 3.26Å; S111-S128 WeakPolarHBondContact CB-O 3.45Å; S111-S128 PolarHBondContact OG-O 2.85Å; S128-F139 CarbonylContact C-O 3.59Å; S128-F139 VanDerWaalsContact CA-O 3.3Å; S128-F139 WeakPolarHBondContact CA-O 3.46Å; S128-F139 PolarHBondContact N-O 2.72Å; S128-F139 VanDerWaalsContact N-O 3.1Å; S128-T140 PolarHBondContact N-OG1 2.68Å |
| 129 | V | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 142.4 | -180 | -63.2 | 0 | 0 | 0 | 0 | 111 | F103 T105 W126 N127 F139 F141 | F103-V129 HydrophobicContact CB-CB 4.34Å; F103-V129 HydrophobicContact CB-CG2 4.35Å; F103-V129 HydrophobicContact CD1-CB 4.05Å; F103-V129 HydrophobicContact CD1-CG2 3.54Å; F103-V129 HydrophobicContact CD2-CG2 4.2Å; F103-V129 HydrophobicContact CE1-CG2 3.79Å; F103-V129 HydrophobicContact CE2-CG2 4.38Å; F103-V129 HydrophobicContact CG-CB 4.26Å; F103-V129 HydrophobicContact CG-CG2 3.78Å; F103-V129 HydrophobicContact CZ-CG2 4.2Å; T105-V129 HydrophobicContact CG2-CG1 4.03Å; W126-V129 HydrophobicContact CB-CG1 3.86Å; W126-V129 HydrophobicContact CB-CG2 3.94Å; N127-V129 PolarHBondContact O-N 2.82Å; N127-V129 VanDerWaalsContact O-N 3.12Å; V129-F139 HydrophobicContact CG2-CB 4.04Å; V129-F139 PolarHBondContact N-O 3.19Å; V129-F139 PolarHBondContact O-N 3.24Å; V129-F141 HydrophobicContact CG2-CE1 4.04Å |
| 130 | V | 96.1 | Very high | 95 | Very high | 7 Ų | 7 | 36.3 Ų | 36.3 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 141.5 | -175.6 | -174.6 | 0 | 0 | 0 | 0 | 110.3 | F103 D104 V107 Q135 N138 | F103-V130 WeakPolarHBondContact CA-O 3.5Å; D104-V130 PolarHBondContact N-O 2.6Å; V107-V130 HydrophobicContact CB-CB 4.25Å; V107-V130 HydrophobicContact CG1-CB 4.06Å; V107-V130 HydrophobicContact CG1-CG1 3.97Å; V130-Q135 HydrophobicContact CG1-CB 4.16Å; V130-Q135 HydrophobicContact CG1-CG 3.83Å; V130-N138 WeakPolarHBondContact CG2-OD1 3.37Å |
| 131 | L | 95.6 | Very high | 95.1 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.016 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 125.8 | 171.3 | -64.7 | 167.3 | 0 | 0 | 0 | 109.6 | A101 F103 T133 Q134 F139 I160 V165 | A101-L131 HydrophobicContact CB-CD2 3.64Å; F103-L131 HydrophobicContact CD1-CD2 3.72Å; F103-L131 HydrophobicContact CD1-CG 4.14Å; F103-L131 HydrophobicContact CE1-CD2 3.56Å; F103-L131 HydrophobicContact CE1-CG 3.87Å; F103-L131 HydrophobicContact CG-CD2 4.39Å; F103-L131 HydrophobicContact CZ-CD2 4.14Å; L131-T133 PolarHBondContact O-N 2.95Å; L131-T133 VanDerWaalsContact O-N 3.13Å; L131-Q134 HydrophobicContact CB-CB 4.34Å; L131-Q134 WeakPolarHBondContact CB-O 2.93Å; L131-Q134 HydrophobicContact CD1-CB 4.37Å; L131-Q134 PolarHBondContact O-N 3.13Å; L131-F139 HydrophobicContact CD1-CE2 3.66Å; L131-F139 HydrophobicContact CD1-CZ 3.85Å; L131-F139 HydrophobicContact CG-CE2 3.89Å; L131-F139 HydrophobicContact CG-CZ 4.43Å; L131-I160 HydrophobicContact CD1-CD1 4.08Å; L131-V165 HydrophobicContact CD1-CB 4.41Å; L131-V165 HydrophobicContact CD1-CG1 3.9Å; L131-V165 HydrophobicContact CD1-CG2 4.06Å; L131-V165 HydrophobicContact CD2-CG1 3.94Å |
| 132 | R | 92.4 | Very high | 95.2 | Very high | 122 Ų | 122 | 30.1 Ų | 30.1 | 46% | 0.46 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -36.9 | -174.5 | -173.4 | 175.6 | 171.1 | 83.3 | 5.2 | 114 | N102 D104 | N102-R132 PolarHBondContact O-N 3.32Å; D104-R132 HydrophobicContact CB-CB 3.87Å; D104-R132 HydrophobicContact CB-CG 4.3Å; D104-R132 WeakPolarHBondContact OD2-CD 3.36Å; D104-R132 IonicContact OD2-CZ 2.82Å; D104-R132 IonicContact OD2-NE 2.86Å; D104-R132 IonicContact OD2-NH1 3.69Å; D104-R132 PolarHBondContact OD2-NH1 2.83Å |
| 133 | T | 87.8 | Confident | 95.2 | Very high | 77 Ų | 77 | 30 Ų | 30 | 47% | 0.472 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -1.5 | -172.1 | 51.9 | 0 | 0 | 0 | 0 | 114 | L131 | L131-T133 PolarHBondContact O-N 2.95Å; L131-T133 VanDerWaalsContact O-N 3.13Å |
| 134 | Q | 85.6 | Confident | 95.2 | Very high | 32 Ų | 32 | 30 Ų | 30 | 15% | 0.15 | 15% | 0.153 | C | C | . | . | trans | -149.8 | 78.2 | -174.5 | -173.8 | 174.9 | -17.3 | 0 | 0 | 109.4 | L131 E136 I160 D164 | L131-Q134 HydrophobicContact CB-CB 4.34Å; L131-Q134 WeakPolarHBondContact CB-O 2.93Å; L131-Q134 HydrophobicContact CD1-CB 4.37Å; L131-Q134 PolarHBondContact O-N 3.13Å; Q134-E136 HydrophobicContact CG-CB 4.43Å; Q134-E136 VanDerWaalsContact CG-CD 3.48Å; Q134-E136 HydrophobicContact CG-CG 3.76Å; Q134-E136 PolarHBondContact NE2-OE2 2.89Å; Q134-E136 PolarHBondContact O-N 2.85Å; Q134-I160 HydrophobicContact CG-CD1 4.48Å; Q134-D164 PolarHBondContact NE2-O 3.09Å; Q134-D164 PolarHBondContact OE1-O 2.85Å | ||
| 135 | Q | 85.7 | Confident | 95.2 | Very high | 135 Ų | 135 | 30 Ų | 30 | 63% | 0.631 | 15% | 0.153 | S | C | * | . | trans | -78.9 | 58.9 | -175.6 | -59.8 | -175.8 | -8.2 | 0 | 0 | 111.8 | V130 G137 | V130-Q135 HydrophobicContact CG1-CB 4.16Å; V130-Q135 HydrophobicContact CG1-CG 3.83Å; Q135-G137 VanDerWaalsContact C-N 3.27Å; Q135-G137 PolarHBondContact O-N 2.64Å | ||
| 136 | E | 87.2 | Confident | 95.2 | Very high | 107 Ų | 107 | 30.8 Ų | 30.8 | 50% | 0.5 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -93.9 | 23.4 | -177.5 | -65.2 | 178.6 | 172.6 | 0 | 0 | 112.7 | Q134 I160 | Q134-E136 HydrophobicContact CG-CB 4.43Å; Q134-E136 VanDerWaalsContact CG-CD 3.48Å; Q134-E136 HydrophobicContact CG-CG 3.76Å; Q134-E136 PolarHBondContact NE2-OE2 2.89Å; Q134-E136 PolarHBondContact O-N 2.85Å; E136-I160 HydrophobicContact CB-CD1 4.42Å; E136-I160 HydrophobicContact CB-CG2 3.53Å; E136-I160 WeakPolarHBondContact OE2-CG2 3.48Å |
| 137 | G | 92.6 | Very high | 95.2 | Very high | 25 Ų | 25 | 36 Ų | 36 | 26% | 0.258 | 18% | 0.179 | S | C | . | . | trans | 127.1 | 176.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | Q135 | Q135-G137 VanDerWaalsContact C-N 3.27Å; Q135-G137 PolarHBondContact O-N 2.64Å | ||
| 138 | N | 96.6 | Very high | 95.2 | Very high | 66 Ų | 66 | 39.6 Ų | 39.6 | 35% | 0.353 | 20% | 0.198 | S | C | . | . | trans | -100.5 | 136.8 | -177.2 | -57.6 | -5.2 | 0 | 0 | 0 | 109.6 | V130 P159 | V130-N138 WeakPolarHBondContact CG2-OD1 3.37Å; N138-P159 WeakPolarHBondContact O-CD 3.32Å | ||
| 139 | F | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 136.3 | 176.5 | -68 | -107.8 | 0 | 0 | 0 | 109.6 | L99 F103 S128 V129 L131 F141 E157 V158 P159 I160 V165 | L99-F139 HydrophobicContact CD2-CD1 3.65Å; L99-F139 HydrophobicContact CD2-CE1 3.96Å; F103-F139 HydrophobicContact CE1-CB 3.84Å; F103-F139 HydrophobicContact CE1-CD1 4.32Å; F103-F139 AromaticContact CE1-CD2 3.6Å; F103-F139 HydrophobicContact CE1-CD2 3.6Å; F103-F139 HydrophobicContact CE1-CE2 4.17Å; F103-F139 AromaticContact CE1-CG 3.67Å; F103-F139 HydrophobicContact CE1-CG 3.67Å; F103-F139 HydrophobicContact CZ-CB 3.99Å; F103-F139 HydrophobicContact CZ-CD1 4.1Å; F103-F139 HydrophobicContact CZ-CD2 4.22Å; F103-F139 AromaticContact CZ-CG 3.86Å; F103-F139 HydrophobicContact CZ-CG 3.86Å; S128-F139 CarbonylContact C-O 3.59Å; S128-F139 VanDerWaalsContact CA-O 3.3Å; S128-F139 WeakPolarHBondContact CA-O 3.46Å; S128-F139 PolarHBondContact N-O 2.72Å; S128-F139 VanDerWaalsContact N-O 3.1Å; V129-F139 HydrophobicContact CG2-CB 4.04Å; V129-F139 PolarHBondContact N-O 3.19Å; V129-F139 PolarHBondContact O-N 3.24Å; L131-F139 HydrophobicContact CD1-CE2 3.66Å; L131-F139 HydrophobicContact CD1-CZ 3.85Å; L131-F139 HydrophobicContact CG-CE2 3.89Å; L131-F139 HydrophobicContact CG-CZ 4.43Å; F139-F141 HydrophobicContact CB-CD1 4.2Å; F139-F141 HydrophobicContact CB-CE1 4.1Å; F139-E157 WeakPolarHBondContact CA-O 3.48Å; F139-V158 HydrophobicContact CD1-CG1 4.38Å; F139-V158 HydrophobicContact CE1-CG1 4.1Å; F139-P159 HydrophobicContact CD2-CG 4Å; F139-P159 HydrophobicContact CE1-CG 4.44Å; F139-P159 HydrophobicContact CE2-CG 3.81Å; F139-P159 HydrophobicContact CG-CG 4.42Å; F139-P159 HydrophobicContact CZ-CG 4.06Å; F139-I160 HydrophobicContact CE1-CG1 4.33Å; F139-I160 HydrophobicContact CE2-CG1 4.32Å; F139-I160 HydrophobicContact CZ-CD1 4.03Å; F139-I160 HydrophobicContact CZ-CG1 3.52Å; F139-V165 HydrophobicContact CE1-CG2 4.4Å; F139-V165 HydrophobicContact CZ-CG2 4.08Å |
| 140 | T | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 117.3 | 174.1 | -56.3 | 0 | 0 | 0 | 0 | 109.9 | W24 W126 S128 K156 E157 | W24-T140 HydrophobicContact CH2-CG2 3.99Å; W126-T140 WeakPolarHBondContact O-CA 3.49Å; S128-T140 PolarHBondContact N-OG1 2.68Å; T140-K156 HydrophobicContact CG2-CB 4.07Å; T140-K156 HydrophobicContact CG2-CD 3.86Å; T140-K156 HydrophobicContact CG2-CG 4.47Å; T140-K156 WeakPolarHBondContact O-CA 3.33Å; T140-K156 WeakPolarHBondContact O-CB 3.46Å; T140-K156 PolarHBondContact O-N 2.92Å; T140-E157 PolarHBondContact N-O 3.11Å; T140-E157 PolarHBondContact O-N 3.38Å; T140-E157 PolarHBondContact OG1-OE2 2.9Å; T140-E157 VanDerWaalsContact OG1-OE2 3.08Å |
| 141 | F | 98.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 157 | -178.3 | 57.6 | -89.6 | 0 | 0 | 0 | 112.2 | P98 L99 F103 E125 W126 V129 F139 V154 Y155 | P98-F141 HydrophobicContact CB-CD2 3.92Å; P98-F141 HydrophobicContact CB-CE2 4.27Å; P98-F141 HydrophobicContact CG-CD2 3.83Å; P98-F141 HydrophobicContact CG-CE2 3.77Å; L99-F141 HydrophobicContact CB-CD1 4.39Å; L99-F141 HydrophobicContact CB-CD2 4.4Å; L99-F141 HydrophobicContact CB-CE1 4.05Å; L99-F141 HydrophobicContact CB-CE2 4.05Å; L99-F141 HydrophobicContact CB-CZ 3.86Å; L99-F141 HydrophobicContact CD2-CD1 4.29Å; L99-F141 HydrophobicContact CD2-CE1 4.06Å; L99-F141 HydrophobicContact CG-CE1 4.45Å; F103-F141 HydrophobicContact CD2-CZ 4.28Å; F103-F141 AromaticContact CE2-CE1 3.72Å; F103-F141 HydrophobicContact CE2-CE1 3.72Å; F103-F141 AromaticContact CE2-CZ 3.69Å; F103-F141 HydrophobicContact CE2-CZ 3.69Å; F103-F141 AromaticContact CZ-CE1 3.84Å; F103-F141 HydrophobicContact CZ-CE1 3.84Å; F103-F141 HydrophobicContact CZ-CZ 4.29Å; E125-F141 WeakPolarHBondContact CA-O 3.33Å; W126-F141 HydrophobicContact CB-CD2 4.46Å; W126-F141 HydrophobicContact CB-CE1 4.06Å; W126-F141 HydrophobicContact CB-CE2 3.93Å; W126-F141 HydrophobicContact CB-CZ 3.71Å; W126-F141 HydrophobicContact CD2-CD2 4.47Å; W126-F141 AromaticContact CD2-CE2 3.68Å; W126-F141 HydrophobicContact CD2-CE2 3.68Å; W126-F141 HydrophobicContact CD2-CZ 4.1Å; W126-F141 AromaticContact CE3-CD2 3.8Å; W126-F141 HydrophobicContact CE3-CD2 3.8Å; W126-F141 AromaticContact CE3-CE2 3.36Å; W126-F141 HydrophobicContact CE3-CE2 3.36Å; W126-F141 HydrophobicContact CE3-CZ 4.23Å; W126-F141 AromaticContact CG-CE2 3.93Å; W126-F141 HydrophobicContact CG-CE2 3.93Å; W126-F141 AromaticContact CG-CZ 3.88Å; W126-F141 HydrophobicContact CG-CZ 3.88Å; W126-F141 HydrophobicContact CZ3-CD2 4.46Å; W126-F141 HydrophobicContact CZ3-CE2 4.07Å; W126-F141 PolarHBondContact N-O 3.4Å; W126-F141 PolarHBondContact O-N 3.25Å; V129-F141 HydrophobicContact CG2-CE1 4.04Å; F139-F141 HydrophobicContact CB-CD1 4.2Å; F139-F141 HydrophobicContact CB-CE1 4.1Å; F141-V154 CarbonylContact C-O 3.58Å; F141-V154 VanDerWaalsContact CA-O 3.28Å; F141-V154 WeakPolarHBondContact CA-O 3.38Å; F141-Y155 HydrophobicContact CB-CD1 3.81Å; F141-Y155 HydrophobicContact CB-CE1 4.35Å; F141-Y155 HydrophobicContact CG-CD1 4.49Å |
| 142 | Q | 98.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 148.7 | -178.8 | -75.1 | -177.4 | -9.9 | 0 | 0 | 112.3 | W24 Q25 V123 V124 E125 F153 V154 | W24-Q142 HydrophobicContact CE3-CB 4.47Å; W24-Q142 HydrophobicContact CE3-CG 4.06Å; W24-Q142 HydrophobicContact CH2-CG 3.61Å; W24-Q142 HydrophobicContact CZ2-CG 4.22Å; W24-Q142 VanDerWaalsContact CZ2-NE2 3.34Å; W24-Q142 HydrophobicContact CZ3-CB 4.09Å; W24-Q142 HydrophobicContact CZ3-CG 3.52Å; Q25-Q142 VanDerWaalsContact N-OE1 3.1Å; Q25-Q142 PolarHBondContact O-NE2 2.91Å; Q25-Q142 PolarHBondContact O-OE1 3.23Å; V123-Q142 HydrophobicContact CG1-CG 4.37Å; V124-Q142 CarbonylContact O-C 3.55Å; V124-Q142 VanDerWaalsContact O-CA 3.3Å; V124-Q142 WeakPolarHBondContact O-CA 3.44Å; E125-Q142 HydrophobicContact CB-CG 3.72Å; E125-Q142 HydrophobicContact CG-CG 3.77Å; E125-Q142 PolarHBondContact OE2-NE2 3.48Å; Q142-F153 WeakPolarHBondContact O-CA 3.42Å; Q142-V154 HydrophobicContact CB-CB 4.35Å; Q142-V154 PolarHBondContact N-O 3.25Å; Q142-V154 PolarHBondContact O-N 3.18Å |
| 143 | L | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 127.6 | 161.4 | 165.9 | 65 | 0 | 0 | 0 | 108.2 | V80 I96 P98 V123 V124 W126 L145 I151 W152 F153 | V80-L143 HydrophobicContact CB-CD2 4.05Å; V80-L143 HydrophobicContact CG2-CD2 3.55Å; I96-L143 HydrophobicContact CB-CD2 4.35Å; I96-L143 HydrophobicContact CG2-CD1 3.57Å; I96-L143 HydrophobicContact CG2-CD2 3.83Å; I96-L143 HydrophobicContact CG2-CG 4.37Å; P98-L143 HydrophobicContact CG-CB 4.02Å; V123-L143 CarbonylContact C-O 3.52Å; V123-L143 WeakPolarHBondContact CA-O 3.29Å; V124-L143 HydrophobicContact CG1-CB 3.74Å; V124-L143 HydrophobicContact CG1-CD2 4.05Å; V124-L143 HydrophobicContact CG1-CG 4.16Å; V124-L143 PolarHBondContact N-O 3.41Å; V124-L143 PolarHBondContact O-N 3.43Å; W126-L143 HydrophobicContact CZ3-CB 4Å; L143-L145 HydrophobicContact CD1-CD2 3.8Å; L143-L145 HydrophobicContact CD2-CD2 4.2Å; L143-L145 HydrophobicContact CG-CD2 4.06Å; L143-L145 HydrophobicContact CG-CG 4.38Å; L143-I151 HydrophobicContact CD1-CG2 3.51Å; L143-W152 WeakPolarHBondContact CA-O 3.2Å; L143-F153 HydrophobicContact CD1-CD1 3.78Å; L143-F153 HydrophobicContact CD1-CE1 3.66Å |
| 144 | T | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 129.6 | 168.7 | -54.4 | 0 | 0 | 0 | 0 | 109.9 | M121 F122 V123 H146 I151 W152 | M121-T144 HydrophobicContact CB-CG2 4Å; M121-T144 HydrophobicContact CG-CG2 4.37Å; M121-T144 HydrophobicContact SD-CG2 4Å; F122-T144 CarbonylContact O-C 3.6Å; F122-T144 WeakPolarHBondContact O-CA 3.28Å; V123-T144 HydrophobicContact CG2-CG2 3.92Å; T144-H146 WeakPolarHBondContact CG2-NE2 3.5Å; T144-I151 CarbonylContact O-C 3.5Å; T144-I151 WeakPolarHBondContact O-CA 3.37Å; T144-W152 HydrophobicContact CG2-CE3 4.43Å; T144-W152 PolarHBondContact N-O 3.35Å; T144-W152 PolarHBondContact O-N 2.85Å |
| 145 | L | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 120.1 | 172.4 | -53.7 | -179.3 | 0 | 0 | 0 | 108.5 | F62 I72 I96 M121 F122 L143 I151 | F62-L145 HydrophobicContact CD1-CD1 4.45Å; F62-L145 HydrophobicContact CD2-CB 3.99Å; F62-L145 HydrophobicContact CE1-CD2 4.24Å; F62-L145 HydrophobicContact CE2-CB 3.87Å; F62-L145 HydrophobicContact CE2-CD2 4.24Å; F62-L145 HydrophobicContact CZ-CB 4.36Å; F62-L145 HydrophobicContact CZ-CD2 3.89Å; I72-L145 HydrophobicContact CD1-CD1 3.99Å; I72-L145 HydrophobicContact CG2-CD1 4.45Å; I96-L145 HydrophobicContact CD1-CD2 3.69Å; M121-L145 CarbonylContact C-O 3.53Å; M121-L145 WeakPolarHBondContact CA-O 3.18Å; F122-L145 HydrophobicContact CB-CB 4.38Å; F122-L145 HydrophobicContact CD1-CD1 4.45Å; F122-L145 PolarHBondContact N-O 2.74Å; F122-L145 PolarHBondContact O-N 2.92Å; L143-L145 HydrophobicContact CD1-CD2 3.8Å; L143-L145 HydrophobicContact CD2-CD2 4.2Å; L143-L145 HydrophobicContact CG-CD2 4.06Å; L143-L145 HydrophobicContact CG-CG 4.38Å; L145-I151 HydrophobicContact CD2-CG1 3.91Å; L145-I151 HydrophobicContact CD2-CG2 4.27Å |
| 146 | H | 98.6 | Very high | 97.6 | Very high | 29 Ų | 29 | 28.4 Ų | 28.4 | 13% | 0.134 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 147 | 176.1 | -68.2 | -94.3 | 0 | 0 | 0 | 110.8 | F62 T144 N148 G149 D150 W152 | F62-H146 VanDerWaalsContact CD2-O 3.27Å; F62-H146 WeakPolarHBondContact CD2-O 3.11Å; F62-H146 WeakPolarHBondContact CE2-O 3.42Å; T144-H146 WeakPolarHBondContact CG2-NE2 3.5Å; H146-N148 WeakPolarHBondContact CB-OD1 3.49Å; H146-N148 PolarHBondContact O-N 2.79Å; H146-G149 PolarHBondContact O-N 3.37Å; H146-D150 HydrophobicContact CB-CB 4.16Å; H146-D150 PolarHBondContact N-O 2.99Å; H146-W152 AromaticContact CD2-CE2 3.96Å; H146-W152 AromaticContact CE1-CH2 3.61Å; H146-W152 AromaticContact CE1-CZ2 3.77Å; H146-W152 AromaticContact CE1-CZ3 3.74Å; H146-W152 AromaticContact NE2-CD2 3.22Å; H146-W152 AromaticContact NE2-CE2 3.3Å; H146-W152 VanDerWaalsContact NE2-CE2 3.3Å; H146-W152 AromaticContact NE2-CE3 3.32Å; H146-W152 VanDerWaalsContact NE2-CE3 3.32Å; H146-W152 AromaticContact NE2-CG 3.96Å; H146-W152 AromaticContact NE2-CH2 3.6Å; H146-W152 AromaticContact NE2-CZ2 3.5Å; H146-W152 WeakPolarHBondContact NE2-CZ2 3.37Å; H146-W152 AromaticContact NE2-CZ3 3.51Å; H146-W152 AromaticContact NE2-NE1 3.97Å |
| 147 | K | 98 | Very high | 98.1 | Very high | 110 Ų | 110 | 26.9 Ų | 26.9 | 48% | 0.478 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -24.7 | 179.1 | 179.9 | 174.1 | 177.3 | 180 | 0 | 114.6 | F60 P63 D120 G149 | F60-K147 HydrophobicContact CB-CB 4.46Å; F60-K147 HydrophobicContact CB-CD 3.95Å; F60-K147 HydrophobicContact CB-CG 3.96Å; F60-K147 HydrophobicContact CD2-CB 3.75Å; F60-K147 HydrophobicContact CD2-CG 3.95Å; F60-K147 HydrophobicContact CE2-CB 4.11Å; F60-K147 HydrophobicContact CG-CB 4.02Å; F60-K147 HydrophobicContact CG-CD 4.34Å; F60-K147 HydrophobicContact CG-CG 4.06Å; P63-K147 WeakPolarHBondContact CD-O 3.5Å; D120-K147 VanDerWaalsContact O-CB 3.32Å; D120-K147 WeakPolarHBondContact O-CB 3.42Å; D120-K147 PolarHBondContact O-N 2.89Å; K147-G149 VanDerWaalsContact C-N 3.32Å |
| 148 | N | 97.5 | Very high | 98.4 | Very high | 99 Ų | 99 | 26.3 Ų | 26.3 | 53% | 0.529 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -7.3 | 176.1 | 68.5 | -15.4 | 0 | 0 | 0 | 114 | H146 D150 | H146-N148 WeakPolarHBondContact CB-OD1 3.49Å; H146-N148 PolarHBondContact O-N 2.79Å; N148-D150 PolarHBondContact ND2-OD2 2.82Å; N148-D150 WeakPolarHBondContact OD1-CB 3.41Å; N148-D150 PolarHBondContact OD1-N 3.35Å; N148-D150 VanDerWaalsContact OD1-N 3.08Å |
| 149 | G | 98.1 | Very high | 98.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 104 | -7.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | H146 K147 | H146-G149 PolarHBondContact O-N 3.37Å; K147-G149 VanDerWaalsContact C-N 3.32Å |
| 150 | D | 98.5 | Very high | 98.2 | Very high | 29 Ų | 29 | 27.2 Ų | 27.2 | 16% | 0.155 | 13% | 0.133 | C | C | . | . | trans | -70.4 | 146.7 | 178.2 | -62.9 | -17.7 | 0 | 0 | 0 | 110.7 | H146 N148 I220 R221 A222 | H146-D150 HydrophobicContact CB-CB 4.16Å; H146-D150 PolarHBondContact N-O 2.99Å; N148-D150 PolarHBondContact ND2-OD2 2.82Å; N148-D150 WeakPolarHBondContact OD1-CB 3.41Å; N148-D150 PolarHBondContact OD1-N 3.35Å; N148-D150 VanDerWaalsContact OD1-N 3.08Å; D150-I220 CarbonylContact C-O 3.31Å; D150-I220 WeakPolarHBondContact CA-O 3.31Å; D150-R221 VanDerWaalsContact OD1-CA 3.24Å; D150-R221 WeakPolarHBondContact OD1-CA 3.06Å; D150-A222 PolarHBondContact OD1-N 2.93Å | ||
| 151 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 128.1 | -176.5 | -62.4 | 159.2 | 0 | 0 | 0 | 108.8 | Y8 F62 F64 I96 L143 T144 L145 F153 L176 I220 | Y8-I151 HydrophobicContact CE1-CD1 4.26Å; F62-I151 HydrophobicContact CE2-CG1 4.3Å; F62-I151 HydrophobicContact CZ-CD1 3.91Å; F62-I151 HydrophobicContact CZ-CG1 3.65Å; F64-I151 HydrophobicContact CD2-CD1 4.47Å; I96-I151 HydrophobicContact CD1-CD1 4.02Å; I96-I151 HydrophobicContact CG2-CG2 3.96Å; L143-I151 HydrophobicContact CD1-CG2 3.51Å; T144-I151 CarbonylContact O-C 3.5Å; T144-I151 WeakPolarHBondContact O-CA 3.37Å; L145-I151 HydrophobicContact CD2-CG1 3.91Å; L145-I151 HydrophobicContact CD2-CG2 4.27Å; I151-F153 HydrophobicContact CG2-CD1 3.99Å; I151-F153 HydrophobicContact CG2-CE1 3.48Å; I151-F153 VanDerWaalsContact CG2-CE1 3.48Å; I151-F153 HydrophobicContact CG2-CZ 4.31Å; I151-L176 HydrophobicContact CD1-CD1 3.87Å; I151-L176 HydrophobicContact CD1-CD2 4Å; I151-I220 HydrophobicContact CB-CB 4.18Å; I151-I220 HydrophobicContact CG2-CD1 4.42Å; I151-I220 PolarHBondContact N-O 2.83Å; I151-I220 WeakPolarHBondContact O-CB 3.44Å; I151-I220 PolarHBondContact O-N 2.94Å |
| 152 | W | 98.8 | Very high | 98 | Very high | 45 Ų | 45 | 30.6 Ų | 30.6 | 17% | 0.17 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 133.1 | 173.5 | -58.1 | -18.4 | 0 | 0 | 0 | 111.5 | Y23 L143 T144 H146 V154 V218 D219 | Y23-W152 HydrophobicContact CD1-CB 4.38Å; Y23-W152 AromaticContact CD1-CD2 3.36Å; Y23-W152 HydrophobicContact CD1-CD2 3.36Å; Y23-W152 AromaticContact CD1-CE2 3.57Å; Y23-W152 AromaticContact CD1-CE3 3.55Å; Y23-W152 HydrophobicContact CD1-CE3 3.55Å; Y23-W152 AromaticContact CD1-CG 3.75Å; Y23-W152 HydrophobicContact CD1-CG 3.75Å; Y23-W152 HydrophobicContact CD1-CH2 4.12Å; Y23-W152 AromaticContact CD1-CZ2 3.97Å; Y23-W152 HydrophobicContact CD1-CZ2 3.97Å; Y23-W152 AromaticContact CD1-CZ3 3.93Å; Y23-W152 HydrophobicContact CD1-CZ3 3.93Å; Y23-W152 AromaticContact CE1-CD2 3.81Å; Y23-W152 HydrophobicContact CE1-CD2 3.81Å; Y23-W152 AromaticContact CE1-CE2 3.51Å; Y23-W152 HydrophobicContact CE1-CE3 4.34Å; Y23-W152 HydrophobicContact CE1-CG 4.12Å; Y23-W152 HydrophobicContact CE1-CH2 4.35Å; Y23-W152 AromaticContact CE1-CZ2 3.82Å; Y23-W152 HydrophobicContact CE1-CZ2 3.82Å; Y23-W152 AromaticContact CE1-NE1 3.67Å; Y23-W152 HydrophobicContact CG-CD2 4.45Å; Y23-W152 HydrophobicContact CG-CE3 4.26Å; Y23-W152 HydrophobicContact CG-CZ3 4.42Å; L143-W152 WeakPolarHBondContact CA-O 3.2Å; T144-W152 HydrophobicContact CG2-CE3 4.43Å; T144-W152 PolarHBondContact N-O 3.35Å; T144-W152 PolarHBondContact O-N 2.85Å; H146-W152 AromaticContact CD2-CE2 3.96Å; H146-W152 AromaticContact CE1-CH2 3.61Å; H146-W152 AromaticContact CE1-CZ2 3.77Å; H146-W152 AromaticContact CE1-CZ3 3.74Å; H146-W152 AromaticContact NE2-CD2 3.22Å; H146-W152 AromaticContact NE2-CE2 3.3Å; H146-W152 VanDerWaalsContact NE2-CE2 3.3Å; H146-W152 AromaticContact NE2-CE3 3.32Å; H146-W152 VanDerWaalsContact NE2-CE3 3.32Å; H146-W152 AromaticContact NE2-CG 3.96Å; H146-W152 AromaticContact NE2-CH2 3.6Å; H146-W152 AromaticContact NE2-CZ2 3.5Å; H146-W152 WeakPolarHBondContact NE2-CZ2 3.37Å; H146-W152 AromaticContact NE2-CZ3 3.51Å; H146-W152 AromaticContact NE2-NE1 3.97Å; W152-V154 HydrophobicContact CB-CG2 4.36Å; W152-V218 CarbonylContact C-O 3.47Å; W152-V218 WeakPolarHBondContact CA-O 3.44Å; W152-D219 PolarHBondContact NE1-OD1 3.38Å; W152-D219 VanDerWaalsContact NE1-OD1 3.17Å |
| 153 | F | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 128.4 | 161.9 | -48.4 | -26.4 | 0 | 0 | 0 | 108.8 | I96 P98 Q142 L143 I151 Y155 V174 L176 I207 V217 V218 I220 | I96-F153 HydrophobicContact CG2-CE1 3.72Å; I96-F153 HydrophobicContact CG2-CZ 4.13Å; P98-F153 HydrophobicContact CB-CB 4.04Å; P98-F153 HydrophobicContact CB-CD1 3.71Å; P98-F153 HydrophobicContact CB-CD2 4.38Å; P98-F153 HydrophobicContact CB-CE1 4.24Å; P98-F153 HydrophobicContact CB-CG 3.8Å; Q142-F153 WeakPolarHBondContact O-CA 3.42Å; L143-F153 HydrophobicContact CD1-CD1 3.78Å; L143-F153 HydrophobicContact CD1-CE1 3.66Å; I151-F153 HydrophobicContact CG2-CD1 3.99Å; I151-F153 HydrophobicContact CG2-CE1 3.48Å; I151-F153 VanDerWaalsContact CG2-CE1 3.48Å; I151-F153 HydrophobicContact CG2-CZ 4.31Å; F153-Y155 HydrophobicContact CB-CE2 3.81Å; F153-V174 HydrophobicContact CD2-CG1 4.33Å; F153-V174 HydrophobicContact CE2-CG1 4.32Å; F153-L176 HydrophobicContact CZ-CD2 3.94Å; F153-I207 HydrophobicContact CE2-CG1 4.34Å; F153-V217 WeakPolarHBondContact O-CA 3.07Å; F153-V218 HydrophobicContact CB-CB 4.03Å; F153-V218 HydrophobicContact CB-CG2 4.44Å; F153-V218 HydrophobicContact CD2-CB 4.05Å; F153-V218 HydrophobicContact CD2-CG1 4.25Å; F153-V218 HydrophobicContact CD2-CG2 4.4Å; F153-V218 HydrophobicContact CG-CB 4.32Å; F153-V218 PolarHBondContact N-O 3.07Å; F153-V218 PolarHBondContact O-N 2.92Å; F153-I220 HydrophobicContact CD2-CD1 4.39Å; F153-I220 HydrophobicContact CE1-CD1 4.29Å; F153-I220 HydrophobicContact CE2-CD1 3.79Å; F153-I220 HydrophobicContact CZ-CD1 3.73Å |
| 154 | V | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 120.3 | -178.1 | -166.4 | 0 | 0 | 0 | 0 | 109 | F20 W24 F141 Q142 W152 V217 | F20-V154 HydrophobicContact CD2-CG1 3.74Å; F20-V154 HydrophobicContact CE2-CG1 3.68Å; W24-V154 HydrophobicContact CB-CG1 4.21Å; W24-V154 HydrophobicContact CE3-CB 4.13Å; W24-V154 HydrophobicContact CE3-CG1 3.69Å; F141-V154 CarbonylContact C-O 3.58Å; F141-V154 VanDerWaalsContact CA-O 3.28Å; F141-V154 WeakPolarHBondContact CA-O 3.38Å; Q142-V154 HydrophobicContact CB-CB 4.35Å; Q142-V154 PolarHBondContact N-O 3.25Å; Q142-V154 PolarHBondContact O-N 3.18Å; W152-V154 HydrophobicContact CB-CG2 4.36Å; V154-V217 HydrophobicContact CG1-CG2 4.24Å |
| 155 | Y | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 114.5 | -173.5 | -58.5 | -86.2 | 0 | 0 | 0 | 110.3 | F20 P98 L99 F141 F153 V158 V174 I212 K213 G215 T216 V218 | F20-Y155 WeakPolarHBondContact CE2-O 3.31Å; P98-Y155 VanDerWaalsContact O-CE1 3.3Å; P98-Y155 WeakPolarHBondContact O-CE1 3.32Å; P98-Y155 VanDerWaalsContact O-CZ 3.32Å; P98-Y155 PolarHBondContact O-OH 2.87Å; L99-Y155 HydrophobicContact CB-CE1 4.39Å; F141-Y155 HydrophobicContact CB-CD1 3.81Å; F141-Y155 HydrophobicContact CB-CE1 4.35Å; F141-Y155 HydrophobicContact CG-CD1 4.49Å; F153-Y155 HydrophobicContact CB-CE2 3.81Å; Y155-V158 HydrophobicContact CD1-CG2 3.94Å; Y155-V158 HydrophobicContact CG-CG2 4.23Å; Y155-V174 WeakPolarHBondContact OH-CG1 3.26Å; Y155-I212 HydrophobicContact CD1-CG2 3.68Å; Y155-I212 HydrophobicContact CD2-CD1 4.48Å; Y155-I212 HydrophobicContact CD2-CG2 4.13Å; Y155-I212 HydrophobicContact CE1-CG2 3.5Å; Y155-I212 VanDerWaalsContact CE1-CG2 3.5Å; Y155-I212 HydrophobicContact CE2-CD1 3.67Å; Y155-I212 HydrophobicContact CE2-CG2 3.99Å; Y155-I212 HydrophobicContact CG-CG2 3.99Å; Y155-K213 WeakPolarHBondContact CB-O 3.42Å; Y155-G215 WeakPolarHBondContact O-CA 3.49Å; Y155-G215 PolarHBondContact O-N 2.81Å; Y155-T216 HydrophobicContact CD2-CG2 4.13Å; Y155-T216 WeakPolarHBondContact CD2-O 3.4Å; Y155-T216 HydrophobicContact CE2-CG2 4.41Å; Y155-T216 PolarHBondContact N-O 3.48Å; Y155-T216 VanDerWaalsContact N-O 3.09Å; Y155-V218 HydrophobicContact CE2-CG2 4.07Å |
| 156 | K | 98.4 | Very high | 97 | Very high | 86 Ų | 86 | 42.2 Ų | 42.2 | 37% | 0.374 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -49.9 | 177.6 | -177.4 | -178.4 | 169.1 | -162.9 | 0 | 111 | F20 W24 T140 S214 | F20-K156 HydrophobicContact CE2-CB 3.98Å; F20-K156 HydrophobicContact CE2-CG 4.5Å; F20-K156 HydrophobicContact CZ-CB 3.84Å; F20-K156 HydrophobicContact CZ-CG 3.95Å; W24-K156 HydrophobicContact CE3-CB 4.29Å; W24-K156 HydrophobicContact CH2-CB 3.78Å; W24-K156 HydrophobicContact CH2-CD 3.83Å; W24-K156 HydrophobicContact CH2-CG 4.42Å; W24-K156 HydrophobicContact CZ2-CD 3.84Å; W24-K156 HydrophobicContact CZ3-CB 3.64Å; W24-K156 HydrophobicContact CZ3-CD 4.43Å; T140-K156 HydrophobicContact CG2-CB 4.07Å; T140-K156 HydrophobicContact CG2-CD 3.86Å; T140-K156 HydrophobicContact CG2-CG 4.47Å; T140-K156 WeakPolarHBondContact O-CA 3.33Å; T140-K156 WeakPolarHBondContact O-CB 3.46Å; T140-K156 PolarHBondContact O-N 2.92Å; K156-S214 WeakPolarHBondContact O-CB 3.43Å |
| 157 | E | 98.1 | Very high | 96.7 | Very high | 75 Ų | 75 | 43.3 Ų | 43.3 | 35% | 0.35 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 119.5 | -178.4 | -74 | 158.1 | -162.3 | 0 | 0 | 110.1 | F139 T140 | F139-E157 WeakPolarHBondContact CA-O 3.48Å; T140-E157 PolarHBondContact N-O 3.11Å; T140-E157 PolarHBondContact O-N 3.38Å; T140-E157 PolarHBondContact OG1-OE2 2.9Å; T140-E157 VanDerWaalsContact OG1-OE2 3.08Å |
| 158 | V | 97.8 | Very high | 96.3 | Very high | 13 Ų | 13 | 43.1 Ų | 43.1 | 8% | 0.079 | 23% | 0.228 | C | C | . | . | trans | -133.3 | 89.7 | 175.1 | -177.8 | 0 | 0 | 0 | 0 | 106.4 | F139 Y155 I160 V162 I212 S214 | F139-V158 HydrophobicContact CD1-CG1 4.38Å; F139-V158 HydrophobicContact CE1-CG1 4.1Å; Y155-V158 HydrophobicContact CD1-CG2 3.94Å; Y155-V158 HydrophobicContact CG-CG2 4.23Å; V158-I160 VanDerWaalsContact C-N 3.34Å; V158-I160 WeakPolarHBondContact CG1-O 3.42Å; V158-I160 PolarHBondContact O-N 3.17Å; V158-V162 HydrophobicContact CG1-CG2 4.31Å; V158-I212 HydrophobicContact CG2-CG2 4.45Å; V158-S214 PolarHBondContact N-OG 2.57Å | ||
| 159 | P | 96.9 | Very high | 95.8 | Very high | 60 Ų | 60 | 43.1 Ų | 43.1 | 39% | 0.39 | 23% | 0.225 | S | C | . | . | trans | -73.8 | -24.1 | -166 | 28.3 | -36.2 | 0 | 0 | 0 | 113.8 | N138 F139 | N138-P159 WeakPolarHBondContact O-CD 3.32Å; F139-P159 HydrophobicContact CD2-CG 4Å; F139-P159 HydrophobicContact CE1-CG 4.44Å; F139-P159 HydrophobicContact CE2-CG 3.81Å; F139-P159 HydrophobicContact CG-CG 4.42Å; F139-P159 HydrophobicContact CZ-CG 4.06Å | ||
| 160 | I | 95.3 | Very high | 95.5 | Very high | 25 Ų | 25 | 43.2 Ų | 43.2 | 13% | 0.128 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -127.8 | 157.7 | 177.3 | 59.9 | 168 | 0 | 0 | 0 | 109.8 | L131 Q134 E136 F139 V158 V162 V165 | L131-I160 HydrophobicContact CD1-CD1 4.08Å; Q134-I160 HydrophobicContact CG-CD1 4.48Å; E136-I160 HydrophobicContact CB-CD1 4.42Å; E136-I160 HydrophobicContact CB-CG2 3.53Å; E136-I160 WeakPolarHBondContact OE2-CG2 3.48Å; F139-I160 HydrophobicContact CE1-CG1 4.33Å; F139-I160 HydrophobicContact CE2-CG1 4.32Å; F139-I160 HydrophobicContact CZ-CD1 4.03Å; F139-I160 HydrophobicContact CZ-CG1 3.52Å; V158-I160 VanDerWaalsContact C-N 3.34Å; V158-I160 WeakPolarHBondContact CG1-O 3.42Å; V158-I160 PolarHBondContact O-N 3.17Å; I160-V162 PolarHBondContact O-N 3.48Å; I160-V165 HydrophobicContact CD1-CG2 3.85Å; I160-V165 HydrophobicContact CG1-CG2 4.19Å |
| 161 | T | 95.3 | Very high | 95.2 | Very high | 72 Ų | 72 | 41.9 Ų | 41.9 | 44% | 0.442 | 22% | 0.218 | S | C | . | . | trans | -63.4 | 143.6 | 177.9 | 85.7 | 0 | 0 | 0 | 0 | 109.5 | F163 D164 | T161-F163 PolarHBondContact O-N 3.29Å; T161-F163 VanDerWaalsContact O-N 3.17Å; T161-F163 PolarHBondContact OG1-N 3.14Å; T161-D164 WeakPolarHBondContact CB-OD2 3.44Å; T161-D164 PolarHBondContact O-N 2.66Å; T161-D164 PolarHBondContact OG1-N 3.48Å; T161-D164 PolarHBondContact OG1-OD2 3Å | ||
| 162 | V | 96 | Very high | 95 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -60.9 | -28.2 | 176.6 | -179.9 | 0 | 0 | 0 | 0 | 110 | L99 V158 I160 D164 V165 R172 V174 F209 I212 | L99-V162 HydrophobicContact CD1-CG1 3.96Å; L99-V162 HydrophobicContact CD1-CG2 4.21Å; V158-V162 HydrophobicContact CG1-CG2 4.31Å; I160-V162 PolarHBondContact O-N 3.48Å; V162-D164 PolarHBondContact O-N 2.95Å; V162-V165 PolarHBondContact O-N 3.38Å; V162-R172 HydrophobicContact CG1-CG 4.15Å; V162-R172 WeakPolarHBondContact O-CD 3.3Å; V162-R172 VanDerWaalsContact O-CZ 3.28Å; V162-R172 PolarHBondContact O-NE 3.08Å; V162-R172 PolarHBondContact O-NH1 3.44Å; V162-V174 HydrophobicContact CG1-CG2 4.26Å; V162-F209 HydrophobicContact CB-CB 3.89Å; V162-F209 HydrophobicContact CB-CD1 4.31Å; V162-F209 HydrophobicContact CB-CG 4.19Å; V162-F209 HydrophobicContact CG1-CB 3.96Å; V162-F209 HydrophobicContact CG1-CD1 3.47Å; V162-F209 VanDerWaalsContact CG1-CD1 3.47Å; V162-F209 HydrophobicContact CG1-CD2 4.38Å; V162-F209 HydrophobicContact CG1-CE1 4.03Å; V162-F209 HydrophobicContact CG1-CG 3.68Å; V162-I212 HydrophobicContact CG2-CB 3.78Å; V162-I212 HydrophobicContact CG2-CG2 3.71Å |
| 163 | F | 93.9 | Very high | 94.9 | Very high | 111 Ų | 111 | 43.7 Ų | 43.7 | 49% | 0.487 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -59.4 | -26.3 | 172.4 | -80.5 | -74.6 | 0 | 0 | 0 | 114.9 | T161 R172 F209 D210 | T161-F163 PolarHBondContact O-N 3.29Å; T161-F163 VanDerWaalsContact O-N 3.17Å; T161-F163 PolarHBondContact OG1-N 3.14Å; F163-R172 PolarHBondContact O-NH1 3Å; F163-F209 HydrophobicContact CD1-CB 4.29Å; F163-F209 HydrophobicContact CD1-CD2 4.04Å; F163-F209 HydrophobicContact CD2-CB 3.7Å; F163-F209 HydrophobicContact CE1-CB 4.19Å; F163-F209 HydrophobicContact CE1-CD2 4Å; F163-F209 HydrophobicContact CE2-CB 3.6Å; F163-F209 HydrophobicContact CG-CB 4.06Å; F163-F209 HydrophobicContact CG-CD2 4.49Å; F163-F209 HydrophobicContact CZ-CB 3.86Å; F163-F209 HydrophobicContact CZ-CD2 4.44Å; F163-D210 HydrophobicContact CE2-CB 3.8Å; F163-D210 VanDerWaalsContact CE2-N 3.3Å |
| 164 | D | 94.4 | Very high | 94.9 | Very high | 95 Ų | 95 | 43.9 Ų | 43.9 | 51% | 0.508 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -93.2 | -9.8 | -177.2 | -58.8 | -42.7 | 0 | 0 | 0 | 113.1 | Q134 T161 V162 S166 | Q134-D164 PolarHBondContact NE2-O 3.09Å; Q134-D164 PolarHBondContact OE1-O 2.85Å; T161-D164 WeakPolarHBondContact CB-OD2 3.44Å; T161-D164 PolarHBondContact O-N 2.66Å; T161-D164 PolarHBondContact OG1-N 3.48Å; T161-D164 PolarHBondContact OG1-OD2 3Å; V162-D164 PolarHBondContact O-N 2.95Å; D164-S166 PolarHBondContact O-N 3.22Å |
| 165 | V | 94.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -67.2 | 118.4 | 176.6 | 174.1 | 0 | 0 | 0 | 0 | 109.6 | A101 L131 F139 I160 V162 D167 R172 | A101-V165 HydrophobicContact CB-CG1 3.81Å; L131-V165 HydrophobicContact CD1-CB 4.41Å; L131-V165 HydrophobicContact CD1-CG1 3.9Å; L131-V165 HydrophobicContact CD1-CG2 4.06Å; L131-V165 HydrophobicContact CD2-CG1 3.94Å; F139-V165 HydrophobicContact CE1-CG2 4.4Å; F139-V165 HydrophobicContact CZ-CG2 4.08Å; I160-V165 HydrophobicContact CD1-CG2 3.85Å; I160-V165 HydrophobicContact CG1-CG2 4.19Å; V162-V165 PolarHBondContact O-N 3.38Å; V165-D167 PolarHBondContact O-N 2.84Å; V165-R172 HydrophobicContact CB-CG 4.44Å; V165-R172 HydrophobicContact CG1-CG 4.4Å; V165-R172 WeakPolarHBondContact O-CD 3.48Å; V165-R172 PolarHBondContact O-NH1 2.72Å |
| 166 | S | 93 | Very high | 94.8 | Very high | 37 Ų | 37 | 43.9 Ų | 43.9 | 26% | 0.259 | 23% | 0.227 | S | C | . | . | trans | -56.5 | 132.1 | 179.8 | -175.2 | 0 | 0 | 0 | 0 | 113.5 | D164 V168 | D164-S166 PolarHBondContact O-N 3.22Å; S166-V168 WeakPolarHBondContact OG-CG2 3.37Å; S166-V168 PolarHBondContact OG-N 2.9Å | ||
| 167 | D | 91.3 | Very high | 94.8 | Very high | 52 Ų | 52 | 39.8 Ų | 39.8 | 28% | 0.278 | 21% | 0.209 | S | C | . | . | trans | -104.4 | 9.9 | 174.5 | 75.4 | -32.1 | 0 | 0 | 0 | 113.6 | V165 H170 R172 R389 | V165-D167 PolarHBondContact O-N 2.84Å; D167-H170 CarbonylContact C-O 3.51Å; D167-H170 VanDerWaalsContact C-O 3.31Å; D167-H170 WeakPolarHBondContact CA-O 3.24Å; D167-R172 HydrophobicContact CB-CB 3.94Å; D167-R389 IonicContact OD2-CZ 3.46Å; D167-R389 IonicContact OD2-NE 2.97Å; D167-R389 PolarHBondContact OD2-NE 3.04Å; D167-R389 IonicContact OD2-NH2 3.38Å; D167-R389 PolarHBondContact OD2-NH2 3.2Å | ||
| 168 | V | 89.3 | Confident | 94.7 | Very high | 105 Ų | 105 | 36.2 Ų | 36.2 | 64% | 0.636 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -69.8 | -43 | -173 | 176.2 | 0 | 0 | 0 | 0 | 112.1 | S166 | S166-V168 WeakPolarHBondContact OG-CG2 3.37Å; S166-V168 PolarHBondContact OG-N 2.9Å |
| 169 | H | 87.6 | Confident | 94.5 | Very high | 100 Ų | 100 | 35.6 Ų | 35.6 | 46% | 0.463 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -107.4 | -10.6 | -175.9 | -62.6 | -56.2 | 0 | 0 | 0 | 113.6 | R51 | R51-H169 PolarHBondContact NH2-O 3.01Š|
| 170 | H | 91.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.009 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -152.2 | 140.8 | 179.5 | -163.2 | -83.2 | 0 | 0 | 0 | 109.5 | A101 N102 D167 R172 Y394 | A101-H170 PolarHBondContact O-CE1 2.94Å; A101-H170 PolarHBondContact O-ND1 3.33Å; N102-H170 HydrophobicContact CB-CB 3.47Å; N102-H170 VanDerWaalsContact CB-CB 3.47Å; D167-H170 CarbonylContact C-O 3.51Å; D167-H170 VanDerWaalsContact C-O 3.31Å; D167-H170 WeakPolarHBondContact CA-O 3.24Å; H170-R172 PolarHBondContact O-N 2.83Å; H170-Y394 AromaticContact NE2-CE2 3.62Å; H170-Y394 AromaticContact NE2-CZ 3.56Å; H170-Y394 PolarHBondContact NE2-OH 3.43Å |
| 171 | P | 92.9 | Very high | 94 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | trans | -59.8 | 142 | 173.7 | 28.4 | -38.2 | 0 | 0 | 0 | 109.8 | A91 M100 K173 I392 | A91-P171 HydrophobicContact CB-CG 4.22Å; M100-P171 CarbonylContact C-O 3.59Å; M100-P171 HydrophobicContact CG-CG 4.24Å; M100-P171 HydrophobicContact SD-CB 4.28Å; M100-P171 HydrophobicContact SD-CG 3.62Å; P171-K173 HydrophobicContact CB-CD 4.27Å; P171-K173 HydrophobicContact CB-CG 4.18Å; P171-I392 HydrophobicContact CG-CD1 4.38Å | ||
| 172 | R | 94.5 | Very high | 93.7 | Very high | 51 Ų | 51 | 31.9 Ų | 31.9 | 19% | 0.192 | 16% | 0.16 | C | C | . | . | trans | -100.9 | 110.8 | 166.7 | -178.8 | -178.4 | 71.8 | -155.8 | 11.2 | 109.1 | M100 V162 F163 V165 D167 H170 F209 | M100-R172 VanDerWaalsContact O-CA 3.27Å; M100-R172 WeakPolarHBondContact O-CA 3.41Å; V162-R172 HydrophobicContact CG1-CG 4.15Å; V162-R172 WeakPolarHBondContact O-CD 3.3Å; V162-R172 VanDerWaalsContact O-CZ 3.28Å; V162-R172 PolarHBondContact O-NE 3.08Å; V162-R172 PolarHBondContact O-NH1 3.44Å; F163-R172 PolarHBondContact O-NH1 3Å; V165-R172 HydrophobicContact CB-CG 4.44Å; V165-R172 HydrophobicContact CG1-CG 4.4Å; V165-R172 WeakPolarHBondContact O-CD 3.48Å; V165-R172 PolarHBondContact O-NH1 2.72Å; D167-R172 HydrophobicContact CB-CB 3.94Å; H170-R172 PolarHBondContact O-N 2.83Å; R172-F209 HydrophobicContact CG-CE2 4.46Å; R172-F209 HydrophobicContact CG-CZ 4.11Å | ||
| 173 | K | 96.7 | Very high | 93.2 | Very high | 31 Ų | 31 | 35.3 Ų | 35.3 | 14% | 0.135 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 145.5 | -178.7 | -57.3 | 178.5 | -175.7 | 170.9 | 0 | 111 | A91 Y95 M100 P171 | A91-K173 PolarHBondContact O-NZ 3.43Å; Y95-K173 HydrophobicContact CE1-CD 4.09Å; Y95-K173 HydrophobicContact CE2-CD 4.37Å; Y95-K173 WeakPolarHBondContact OH-CD 3.27Å; M100-K173 HydrophobicContact CB-CB 4.09Å; M100-K173 WeakPolarHBondContact CB-O 3.28Å; M100-K173 PolarHBondContact N-O 2.94Å; M100-K173 PolarHBondContact O-N 3.24Å; M100-K173 VanDerWaalsContact O-N 3.08Å; M100-K173 HydrophobicContact SD-CB 4.27Å; M100-K173 HydrophobicContact SD-CD 3.88Å; M100-K173 HydrophobicContact SD-CG 4.28Å; P171-K173 HydrophobicContact CB-CD 4.27Å; P171-K173 HydrophobicContact CB-CG 4.18Å |
| 174 | V | 98.1 | Very high | 92.5 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.024 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 123.3 | 169 | -176.3 | 0 | 0 | 0 | 0 | 107.6 | A97 P98 L99 F153 Y155 V162 E206 I207 F209 I212 | A97-V174 CarbonylContact O-C 3.54Å; A97-V174 WeakPolarHBondContact O-CA 3.39Å; P98-V174 WeakPolarHBondContact O-CG1 3.31Å; L99-V174 HydrophobicContact CD1-CG2 3.81Å; F153-V174 HydrophobicContact CD2-CG1 4.33Å; F153-V174 HydrophobicContact CE2-CG1 4.32Å; Y155-V174 WeakPolarHBondContact OH-CG1 3.26Å; V162-V174 HydrophobicContact CG1-CG2 4.26Å; V174-E206 WeakPolarHBondContact O-CA 3.32Å; V174-I207 HydrophobicContact CB-CB 4.17Å; V174-I207 HydrophobicContact CG1-CB 3.67Å; V174-I207 HydrophobicContact CG1-CG1 3.88Å; V174-I207 HydrophobicContact CG1-CG2 4.38Å; V174-I207 PolarHBondContact O-N 3.21Å; V174-F209 HydrophobicContact CB-CE1 4.3Å; V174-F209 HydrophobicContact CG2-CD1 4.09Å; V174-F209 HydrophobicContact CG2-CE1 4Å; V174-I212 HydrophobicContact CG1-CD1 4.29Å; V174-I212 HydrophobicContact CG1-CG1 4.3Å; V174-I212 HydrophobicContact CG2-CG1 4.5Å |
| 175 | G | 98 | Very high | 91.2 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 131.8 | -152.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | A97 I205 | A97-G175 PolarHBondContact N-O 3.3Å; A97-G175 PolarHBondContact O-N 3.43Å; G175-I205 CarbonylContact C-O 3.59Å; G175-I205 VanDerWaalsContact CA-O 3.29Å; G175-I205 WeakPolarHBondContact CA-O 3.27Å |
| 176 | L | 98.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 147.8 | -170.3 | -49.1 | -175.5 | 0 | 0 | 0 | 110.7 | Y8 F64 Y65 Y95 I96 I151 F153 R204 I205 I220 | Y8-L176 HydrophobicContact CD2-CD1 4.04Å; Y8-L176 HydrophobicContact CE2-CD1 4.04Å; Y8-L176 HydrophobicContact CG-CD1 4.32Å; F64-L176 HydrophobicContact CE2-CD1 4.46Å; Y65-L176 HydrophobicContact CE2-CB 4.43Å; Y95-L176 WeakPolarHBondContact O-CA 3.43Å; I96-L176 HydrophobicContact CB-CD2 4.09Å; I96-L176 HydrophobicContact CG1-CD2 4.06Å; I96-L176 HydrophobicContact CG2-CD2 3.67Å; I151-L176 HydrophobicContact CD1-CD1 3.87Å; I151-L176 HydrophobicContact CD1-CD2 4Å; F153-L176 HydrophobicContact CZ-CD2 3.94Å; L176-R204 CarbonylContact O-C 3.53Å; L176-R204 VanDerWaalsContact O-CA 3.31Å; L176-R204 WeakPolarHBondContact O-CA 3.16Å; L176-R204 WeakPolarHBondContact O-CG 3.1Å; L176-I205 HydrophobicContact CB-CB 4.32Å; L176-I205 HydrophobicContact CD1-CD1 4.28Å; L176-I205 PolarHBondContact N-O 3.05Å; L176-I205 PolarHBondContact O-N 2.73Å; L176-I220 HydrophobicContact CD1-CD1 4.23Å; L176-I220 HydrophobicContact CD1-CG2 4.03Å; L176-I220 HydrophobicContact CD2-CD1 4.25Å; L176-I220 HydrophobicContact CG-CD1 4.19Å |
| 177 | S | 96.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 138 | 168.2 | 166.9 | 0 | 0 | 0 | 0 | 109.4 | Q94 Y95 E201 | Q94-S177 CarbonylContact C-O 3.56Å; Q94-S177 WeakPolarHBondContact CA-O 3.48Å; Q94-S177 PolarHBondContact N-O 3.47Å; Y95-S177 VanDerWaalsContact CZ-CB 3.43Å; Y95-S177 PolarHBondContact N-O 3.23Å; Y95-S177 PolarHBondContact O-N 3.35Å; Y95-S177 VanDerWaalsContact O-N 3.09Å; S177-E201 PolarHBondContact OG-OE2 3.38Å |
| 178 | D | 96.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 154 | 168.1 | -160.1 | 36.4 | 0 | 0 | 0 | 111.8 | F64 Y65 Q94 Y202 H203 R267 | F64-D178 HydrophobicContact CE1-CB 3.76Å; F64-D178 HydrophobicContact CZ-CB 4.41Å; Y65-D178 HydrophobicContact CD1-CB 4.2Å; Y65-D178 HydrophobicContact CD2-CB 3.58Å; Y65-D178 HydrophobicContact CE1-CB 4.34Å; Y65-D178 HydrophobicContact CE2-CB 3.72Å; Y65-D178 HydrophobicContact CG-CB 3.84Å; Q94-D178 WeakPolarHBondContact CG-OD1 3.47Å; D178-Y202 HydrophobicContact CB-CE1 3.83Å; D178-Y202 PolarHBondContact O-N 3.05Å; D178-Y202 VanDerWaalsContact OD2-CE1 3.31Å; D178-Y202 WeakPolarHBondContact OD2-CE1 3.19Å; D178-Y202 VanDerWaalsContact OD2-CZ 3.3Å; D178-Y202 PolarHBondContact OD2-OH 3.39Å; D178-H203 PolarHBondContact N-O 3.14Å; D178-R267 IonicContact OD1-CZ 2.66Å; D178-R267 IonicContact OD1-NE 3.96Å; D178-R267 PolarHBondContact OD1-NE 3.02Å; D178-R267 IonicContact OD1-NH2 3.93Å; D178-R267 PolarHBondContact OD1-NH2 2.99Å; D178-R267 IonicContact OD2-NE 3.68Å; D178-R267 PolarHBondContact OD2-NE 3.1Å; D178-R267 IonicContact OD2-NH2 2.81Å |
| 179 | A | 94.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 160.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | T93 Q94 I199 Y200 | T93-A179 HydrophobicContact CG2-CB 4.07Å; Q94-A179 HydrophobicContact CG-CB 4Å; Q94-A179 PolarHBondContact NE2-O 2.72Å; A179-I199 HydrophobicContact CB-CG2 3.61Å; A179-Y200 CarbonylContact C-O 3.58Å; A179-Y200 WeakPolarHBondContact CA-O 3.24Å; A179-Y200 VanDerWaalsContact CB-O 3.25Å; A179-Y200 WeakPolarHBondContact CB-O 3.4Å |
| 180 | Y | 92.8 | Very high | 82.5 | Confident | 26 Ų | 26 | 53.7 Ų | 53.7 | 10% | 0.102 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 158.9 | 169.2 | 64.4 | -101.6 | 0 | 0 | 0 | 111 | I182 Y200 Y202 L265 H266 R269 | Y180-I182 HydrophobicContact CD2-CD1 4.41Å; Y180-I182 HydrophobicContact CD2-CG1 3.99Å; Y180-I182 HydrophobicContact CE2-CD1 3.71Å; Y180-I182 HydrophobicContact CE2-CG1 3.78Å; Y180-Y200 HydrophobicContact CD2-CD2 4.16Å; Y180-Y200 HydrophobicContact CD2-CG 4.48Å; Y180-Y200 VanDerWaalsContact CE2-CB 3.47Å; Y180-Y200 AromaticContact CE2-CD2 3.53Å; Y180-Y200 HydrophobicContact CE2-CD2 3.53Å; Y180-Y200 HydrophobicContact CE2-CE2 4.48Å; Y180-Y200 AromaticContact CE2-CG 3.67Å; Y180-Y200 HydrophobicContact CE2-CG 3.67Å; Y180-Y200 AromaticContact CZ-CG 3.87Å; Y180-Y200 PolarHBondContact N-O 2.89Å; Y180-Y200 PolarHBondContact O-N 3.18Å; Y180-Y202 AromaticContact CD1-CD1 3.91Å; Y180-Y202 HydrophobicContact CD1-CD1 3.91Å; Y180-Y202 HydrophobicContact CD1-CG 4.42Å; Y180-L265 HydrophobicContact CE1-CD2 4.3Å; Y180-H266 WeakPolarHBondContact CB-O 3.4Å; Y180-R269 HydrophobicContact CD1-CB 4.05Å; Y180-R269 HydrophobicContact CD1-CG 4.38Å; Y180-R269 HydrophobicContact CD2-CB 3.59Å; Y180-R269 HydrophobicContact CD2-CG 3.82Å; Y180-R269 HydrophobicContact CE1-CB 4.33Å; Y180-R269 HydrophobicContact CE1-CG 4.15Å; Y180-R269 HydrophobicContact CE2-CB 3.93Å; Y180-R269 HydrophobicContact CE2-CG 3.59Å; Y180-R269 HydrophobicContact CG-CB 3.68Å; Y180-R269 HydrophobicContact CG-CG 4.24Å |
| 181 | F | 89.2 | Confident | 80.7 | Confident | 32 Ų | 32 | 59.8 Ų | 59.8 | 14% | 0.14 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 140.8 | 176.7 | -61.6 | -90.8 | 0 | 0 | 0 | 110.7 | Y85 R197 I198 I199 | Y85-F181 HydrophobicContact CD2-CD2 4.13Å; Y85-F181 HydrophobicContact CD2-CE2 4.08Å; F181-R197 HydrophobicContact CD1-CB 4.46Å; F181-I198 WeakPolarHBondContact CA-O 3.33Å; F181-I199 HydrophobicContact CD1-CD1 4.37Å; F181-I199 HydrophobicContact CD1-CG1 3.74Å; F181-I199 HydrophobicContact CE1-CB 4.49Å; F181-I199 HydrophobicContact CE1-CD1 3.59Å; F181-I199 HydrophobicContact CE1-CG1 3.47Å; F181-I199 VanDerWaalsContact CE1-CG1 3.47Å; F181-I199 HydrophobicContact CZ-CD1 4.27Å; F181-I199 HydrophobicContact CZ-CG1 4.42Å |
| 182 | I | 88.5 | Confident | 78.9 | Confident | 22 Ų | 22 | 66.6 Ų | 66.6 | 11% | 0.113 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 125.8 | 165.3 | -67 | -177.2 | 0 | 0 | 0 | 108.1 | Y180 H184 I198 Y200 L273 | Y180-I182 HydrophobicContact CD2-CD1 4.41Å; Y180-I182 HydrophobicContact CD2-CG1 3.99Å; Y180-I182 HydrophobicContact CE2-CD1 3.71Å; Y180-I182 HydrophobicContact CE2-CG1 3.78Å; I182-H184 WeakPolarHBondContact CG2-CE1 3.36Å; I182-I198 PolarHBondContact N-O 2.91Å; I182-I198 PolarHBondContact O-N 3.5Å; I182-Y200 HydrophobicContact CB-CD2 4.42Å; I182-Y200 HydrophobicContact CB-CE2 3.93Å; I182-Y200 HydrophobicContact CD1-CD2 4.18Å; I182-Y200 HydrophobicContact CD1-CE2 3.88Å; I182-Y200 HydrophobicContact CG1-CD2 4.18Å; I182-Y200 HydrophobicContact CG1-CE2 4.03Å; I182-L273 HydrophobicContact CD1-CD1 4.42Å |
| 183 | V | 85.6 | Confident | 76.9 | Confident | 71 Ų | 71 | 68.3 Ų | 68.3 | 43% | 0.43 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 114.7 | 176 | -174.8 | 0 | 0 | 0 | 0 | 108.3 | R197 | V183-R197 HydrophobicContact CG2-CG 4.17Å |
| 184 | H | 78.5 | Confident | 75.2 | Confident | 67 Ų | 67 | 72.3 Ų | 72.3 | 31% | 0.31 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 115.4 | 171.2 | -64.8 | 80.6 | 0 | 0 | 0 | 108.9 | I182 N186 S195 R196 I198 | I182-H184 WeakPolarHBondContact CG2-CE1 3.36Å; H184-N186 PolarHBondContact O-N 3.09Å; H184-S195 WeakPolarHBondContact O-CA 2.82Å; H184-R196 PolarHBondContact N-O 2.82Å; H184-R196 PolarHBondContact O-N 3.37Å; H184-I198 WeakPolarHBondContact ND1-CD1 3.46Å |
| 185 | S | 67.8 | Low | 73.9 | Confident | 77 Ų | 77 | 75.7 Ų | 75.7 | 54% | 0.538 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 97.2 | 167.3 | 56.9 | 0 | 0 | 0 | 0 | 108.6 | Y187 | S185-Y187 PolarHBondContact O-N 3.19Å |
| 186 | N | 58.7 | Low | 72.9 | Confident | 100 Ų | 100 | 84.1 Ų | 84.1 | 54% | 0.535 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 116.1 | 167 | -71.6 | -14.7 | 0 | 0 | 0 | 107.5 | H184 A188 | H184-N186 PolarHBondContact O-N 3.09Å; N186-A188 PolarHBondContact O-N 3.16Å |
| 187 | Y | 54.6 | Low | 72.1 | Confident | 215 Ų | 215 | 90.2 Ų | 90.2 | 84% | 0.843 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 89 | 161.4 | -80.8 | -86.9 | 0 | 0 | 0 | 107.6 | S185 R189 | S185-Y187 PolarHBondContact O-N 3.19Å; Y187-R189 PolarHBondContact O-N 3.39Å |
| 188 | A | 53 | Low | 71.6 | Confident | 44 Ų | 44 | 92.9 Ų | 92.9 | 36% | 0.364 | 47% | 0.466 | S | S | . | . | trans | -63.3 | 130.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | N186 N190 | N186-A188 PolarHBondContact O-N 3.16Å; A188-N190 PolarHBondContact O-N 3.13Å | ||
| 189 | R | 53.6 | Low | 71.1 | Confident | 251 Ų | 251 | 95.8 Ų | 95.8 | 95% | 0.947 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -57.3 | -6.2 | -176.8 | -76.1 | -174 | -151.7 | -174.2 | 7.1 | 114.9 | Y187 | Y187-R189 PolarHBondContact O-N 3.39Š|
| 190 | N | 53 | Low | 71 | Confident | 133 Ų | 133 | 99.9 Ų | 99.9 | 71% | 0.711 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -119.8 | 87 | 175.6 | -67 | -10.2 | 0 | 0 | 0 | 109.8 | A188 Q192 | A188-N190 PolarHBondContact O-N 3.13Å; N190-Q192 PolarHBondContact O-N 3.12Å |
| 191 | S | 52.6 | Low | 71 | Confident | 130 Ų | 130 | 102.3 Ų | 102.3 | 91% | 0.909 | 51% | 0.51 | S | S | * | . | S | Bend | trans | 44.3 | 8.2 | 151.3 | 25.1 | 0 | 0 | 0 | 0 | 121.9 | ||
| 192 | Q | 54.9 | Low | 71.3 | Confident | 145 Ų | 145 | 102.5 Ų | 102.5 | 68% | 0.678 | 51% | 0.51 | S | S | * | . | trans | -127.7 | 112.4 | 172.7 | -69.5 | -175.4 | -7.5 | 0 | 0 | 109.2 | N190 L194 | N190-Q192 PolarHBondContact O-N 3.12Å; Q192-L194 PolarHBondContact O-N 3.31Å | ||
| 193 | S | 54.2 | Low | 71.6 | Confident | 87 Ų | 87 | 102.8 Ų | 102.8 | 61% | 0.608 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 98 | 170 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | S195 | S193-S195 PolarHBondContact O-N 2.97Å |
| 194 | L | 60.7 | Low | 72.1 | Confident | 115 Ų | 115 | 103.7 Ų | 103.7 | 60% | 0.602 | 51% | 0.506 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 92.4 | 170.4 | -81.1 | 154.3 | 0 | 0 | 0 | 107.6 | Q192 R196 | Q192-L194 PolarHBondContact O-N 3.31Å; L194-R196 PolarHBondContact O-N 3.44Å |
| 195 | S | 69.8 | Low | 73 | Confident | 74 Ų | 74 | 100.5 Ų | 100.5 | 52% | 0.517 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 110.6 | 171.5 | 64 | 0 | 0 | 0 | 0 | 109.6 | H184 S193 | H184-S195 WeakPolarHBondContact O-CA 2.82Å; S193-S195 PolarHBondContact O-N 2.97Å |
| 196 | R | 76.8 | Confident | 74.4 | Confident | 178 Ų | 178 | 103 Ų | 103 | 67% | 0.672 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 124.6 | 174.9 | -171.1 | 175.7 | -178.3 | 174.3 | 0.7 | 109.4 | H184 L194 I198 | H184-R196 PolarHBondContact N-O 2.82Å; H184-R196 PolarHBondContact O-N 3.37Å; L194-R196 PolarHBondContact O-N 3.44Å; R196-I198 HydrophobicContact CG-CG1 4.48Å |
| 197 | R | 82.4 | Confident | 76.2 | Confident | 127 Ų | 127 | 98.5 Ų | 98.5 | 48% | 0.479 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 125.5 | 170.7 | -63.6 | -171.9 | -178.2 | -173.4 | 0.4 | 109.1 | F181 V183 | F181-R197 HydrophobicContact CD1-CB 4.46Å; V183-R197 HydrophobicContact CG2-CG 4.17Å |
| 198 | I | 85.2 | Confident | 78.2 | Confident | 56 Ų | 56 | 90.6 Ų | 90.6 | 29% | 0.287 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 134.4 | 174.7 | -54.6 | -175.4 | 0 | 0 | 0 | 108.2 | F181 I182 H184 R196 Y200 | F181-I198 WeakPolarHBondContact CA-O 3.33Å; I182-I198 PolarHBondContact N-O 2.91Å; I182-I198 PolarHBondContact O-N 3.5Å; H184-I198 WeakPolarHBondContact ND1-CD1 3.46Å; R196-I198 HydrophobicContact CG-CG1 4.48Å; I198-Y200 HydrophobicContact CB-CE2 3.75Å; I198-Y200 HydrophobicContact CG2-CD2 4.16Å; I198-Y200 HydrophobicContact CG2-CE1 4.36Å; I198-Y200 HydrophobicContact CG2-CE2 3.48Å; I198-Y200 VanDerWaalsContact CG2-CE2 3.48Å |
| 199 | I | 87.3 | Confident | 80.3 | Confident | 62 Ų | 62 | 90.6 Ų | 90.6 | 32% | 0.318 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 129.9 | 179.9 | -49 | -172.2 | 0 | 0 | 0 | 108.4 | T93 A179 F181 | T93-I199 HydrophobicContact CG2-CG2 4.15Å; T93-I199 WeakPolarHBondContact OG1-CG2 3.24Å; A179-I199 HydrophobicContact CB-CG2 3.61Å; F181-I199 HydrophobicContact CD1-CD1 4.37Å; F181-I199 HydrophobicContact CD1-CG1 3.74Å; F181-I199 HydrophobicContact CE1-CB 4.49Å; F181-I199 HydrophobicContact CE1-CD1 3.59Å; F181-I199 HydrophobicContact CE1-CG1 3.47Å; F181-I199 VanDerWaalsContact CE1-CG1 3.47Å; F181-I199 HydrophobicContact CZ-CD1 4.27Å; F181-I199 HydrophobicContact CZ-CG1 4.42Å |
| 200 | Y | 91.3 | Very high | 82.2 | Confident | 85 Ų | 85 | 82.7 Ų | 82.7 | 33% | 0.333 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 108.9 | 174.5 | -64.6 | -91.8 | 0 | 0 | 0 | 109.2 | A179 Y180 I182 I198 Y202 | A179-Y200 CarbonylContact C-O 3.58Å; A179-Y200 WeakPolarHBondContact CA-O 3.24Å; A179-Y200 VanDerWaalsContact CB-O 3.25Å; A179-Y200 WeakPolarHBondContact CB-O 3.4Å; Y180-Y200 HydrophobicContact CD2-CD2 4.16Å; Y180-Y200 HydrophobicContact CD2-CG 4.48Å; Y180-Y200 VanDerWaalsContact CE2-CB 3.47Å; Y180-Y200 AromaticContact CE2-CD2 3.53Å; Y180-Y200 HydrophobicContact CE2-CD2 3.53Å; Y180-Y200 HydrophobicContact CE2-CE2 4.48Å; Y180-Y200 AromaticContact CE2-CG 3.67Å; Y180-Y200 HydrophobicContact CE2-CG 3.67Å; Y180-Y200 AromaticContact CZ-CG 3.87Å; Y180-Y200 PolarHBondContact N-O 2.89Å; Y180-Y200 PolarHBondContact O-N 3.18Å; I182-Y200 HydrophobicContact CB-CD2 4.42Å; I182-Y200 HydrophobicContact CB-CE2 3.93Å; I182-Y200 HydrophobicContact CD1-CD2 4.18Å; I182-Y200 HydrophobicContact CD1-CE2 3.88Å; I182-Y200 HydrophobicContact CG1-CD2 4.18Å; I182-Y200 HydrophobicContact CG1-CE2 4.03Å; I198-Y200 HydrophobicContact CB-CE2 3.75Å; I198-Y200 HydrophobicContact CG2-CD2 4.16Å; I198-Y200 HydrophobicContact CG2-CE1 4.36Å; I198-Y200 HydrophobicContact CG2-CE2 3.48Å; I198-Y200 VanDerWaalsContact CG2-CE2 3.48Å; Y200-Y202 PolarHBondContact O-N 2.91Å |
| 201 | E | 93.9 | Very high | 84.2 | Confident | 78 Ų | 78 | 77.4 Ų | 77.4 | 36% | 0.364 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 124.1 | 168.8 | -175.1 | 178.8 | 72.6 | 0 | 0 | 108.8 | T93 S177 R204 | T93-E201 HydrophobicContact CG2-CB 4.1Å; S177-E201 PolarHBondContact OG-OE2 3.38Å; E201-R204 VanDerWaalsContact CD-NH2 3.28Å; E201-R204 IonicContact OE1-CZ 2.76Å; E201-R204 IonicContact OE1-NE 2.64Å; E201-R204 PolarHBondContact OE1-NE 2.92Å; E201-R204 IonicContact OE1-NH2 2.87Å; E201-R204 PolarHBondContact OE1-NH2 3.47Å; E201-R204 IonicContact OE2-CZ 3.23Å; E201-R204 VanDerWaalsContact OE2-CZ 3.28Å; E201-R204 IonicContact OE2-NE 3.38Å; E201-R204 PolarHBondContact OE2-NE 2.97Å; E201-R204 IonicContact OE2-NH2 3.21Å; E201-R204 PolarHBondContact OE2-NH2 2.99Å |
| 202 | Y | 94.2 | Very high | 86.4 | Confident | 36 Ų | 36 | 71.3 Ų | 71.3 | 14% | 0.141 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | -18.4 | -179.6 | 71.9 | -94.1 | 0 | 0 | 0 | 112.6 | Y7 Y65 D178 Y180 Y200 L265 | Y7-Y202 HydrophobicContact CE1-CE2 4.28Å; Y7-Y202 HydrophobicContact CE2-CD2 4.44Å; Y7-Y202 HydrophobicContact CE2-CE2 4.05Å; Y7-Y202 AromaticContact CZ-CE2 3.73Å; Y65-Y202 VanDerWaalsContact CB-OH 3.28Å; Y65-Y202 WeakPolarHBondContact CB-OH 3.39Å; Y65-Y202 HydrophobicContact CD1-CE2 4.1Å; Y65-Y202 WeakPolarHBondContact CD1-OH 3.45Å; D178-Y202 HydrophobicContact CB-CE1 3.83Å; D178-Y202 PolarHBondContact O-N 3.05Å; D178-Y202 VanDerWaalsContact OD2-CE1 3.31Å; D178-Y202 WeakPolarHBondContact OD2-CE1 3.19Å; D178-Y202 VanDerWaalsContact OD2-CZ 3.3Å; D178-Y202 PolarHBondContact OD2-OH 3.39Å; Y180-Y202 AromaticContact CD1-CD1 3.91Å; Y180-Y202 HydrophobicContact CD1-CD1 3.91Å; Y180-Y202 HydrophobicContact CD1-CG 4.42Å; Y200-Y202 PolarHBondContact O-N 2.91Å; Y202-L265 HydrophobicContact CD2-CB 4.34Å; Y202-L265 VanDerWaalsContact CD2-O 3.24Å; Y202-L265 WeakPolarHBondContact CD2-O 3.36Å; Y202-L265 VanDerWaalsContact CE2-O 3.24Å; Y202-L265 WeakPolarHBondContact CE2-O 3.37Å |
| 203 | H | 95.8 | Very high | 88.4 | Confident | 28 Ų | 28 | 70.5 Ų | 70.5 | 13% | 0.13 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 143.8 | 175.3 | -167.8 | -93.1 | 0 | 0 | 0 | 111.8 | Y7 Y65 D178 | Y7-H203 HydrophobicContact CD2-CB 4.19Å; Y7-H203 AromaticContact CD2-CD2 3.55Å; Y7-H203 AromaticContact CD2-CE1 3.98Å; Y7-H203 AromaticContact CD2-CG 3.66Å; Y7-H203 AromaticContact CD2-ND1 3.95Å; Y7-H203 AromaticContact CD2-NE2 3.76Å; Y7-H203 HydrophobicContact CE2-CB 4Å; Y7-H203 AromaticContact CE2-CD2 3.7Å; Y7-H203 AromaticContact CE2-CG 3.86Å; Y65-H203 HydrophobicContact CE1-CB 3.71Å; Y65-H203 AromaticContact CE1-CG 3.68Å; Y65-H203 AromaticContact CE1-ND1 3.27Å; Y65-H203 VanDerWaalsContact CE1-ND1 3.27Å; Y65-H203 WeakPolarHBondContact CE1-ND1 3.3Å; Y65-H203 AromaticContact CZ-ND1 3.52Å; Y65-H203 PolarHBondContact OH-ND1 2.82Å; D178-H203 PolarHBondContact N-O 3.14Å |
| 204 | R | 96.1 | Very high | 90.5 | Very high | 89 Ų | 89 | 69 Ų | 69 | 34% | 0.336 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 142.9 | 174.3 | -173.7 | -175.4 | -67.4 | -178.2 | 3 | 110 | L176 E201 E206 | L176-R204 CarbonylContact O-C 3.53Å; L176-R204 VanDerWaalsContact O-CA 3.31Å; L176-R204 WeakPolarHBondContact O-CA 3.16Å; L176-R204 WeakPolarHBondContact O-CG 3.1Å; E201-R204 VanDerWaalsContact CD-NH2 3.28Å; E201-R204 IonicContact OE1-CZ 2.76Å; E201-R204 IonicContact OE1-NE 2.64Å; E201-R204 PolarHBondContact OE1-NE 2.92Å; E201-R204 IonicContact OE1-NH2 2.87Å; E201-R204 PolarHBondContact OE1-NH2 3.47Å; E201-R204 IonicContact OE2-CZ 3.23Å; E201-R204 VanDerWaalsContact OE2-CZ 3.28Å; E201-R204 IonicContact OE2-NE 3.38Å; E201-R204 PolarHBondContact OE2-NE 2.97Å; E201-R204 IonicContact OE2-NH2 3.21Å; E201-R204 PolarHBondContact OE2-NH2 2.99Å; R204-E206 WeakPolarHBondContact CD-OE1 3.42Å; R204-E206 HydrophobicContact CG-CG 3.97Å; R204-E206 IonicContact CZ-OE1 3.28Å; R204-E206 IonicContact NE-OE1 3.27Å; R204-E206 IonicContact NH1-OE1 2.81Å; R204-E206 PolarHBondContact NH1-OE1 2.84Å |
| 205 | I | 97.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 124.9 | 167.6 | -60.2 | -176.5 | 0 | 0 | 0 | 106.9 | H5 Y8 V10 G175 L176 I207 | H5-I205 HydrophobicContact CB-CD1 4.13Å; Y8-I205 HydrophobicContact CD2-CD1 4.07Å; Y8-I205 HydrophobicContact CG-CD1 4.28Å; V10-I205 HydrophobicContact CG2-CD1 4.26Å; V10-I205 HydrophobicContact CG2-CG2 3.87Å; G175-I205 CarbonylContact C-O 3.59Å; G175-I205 VanDerWaalsContact CA-O 3.29Å; G175-I205 WeakPolarHBondContact CA-O 3.27Å; L176-I205 HydrophobicContact CB-CB 4.32Å; L176-I205 HydrophobicContact CD1-CD1 4.28Å; L176-I205 PolarHBondContact N-O 3.05Å; L176-I205 PolarHBondContact O-N 2.73Å; I205-I207 HydrophobicContact CG2-CD1 4.04Å |
| 206 | E | 96.5 | Very high | 93.6 | Very high | 129 Ų | 129 | 60.9 Ų | 60.9 | 60% | 0.603 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 122.1 | 174.3 | -64.9 | -176.6 | 165.8 | 0 | 0 | 108.4 | V174 R204 | V174-E206 WeakPolarHBondContact O-CA 3.32Å; R204-E206 WeakPolarHBondContact CD-OE1 3.42Å; R204-E206 HydrophobicContact CG-CG 3.97Å; R204-E206 IonicContact CZ-OE1 3.28Å; R204-E206 IonicContact NE-OE1 3.27Å; R204-E206 IonicContact NH1-OE1 2.81Å; R204-E206 PolarHBondContact NH1-OE1 2.84Å |
| 207 | I | 97.3 | Very high | 94.6 | Very high | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | trans | -84.6 | 129.7 | 175.4 | -50 | -59.7 | 0 | 0 | 0 | 108.3 | V10 I12 F153 V174 I205 F209 I212 V218 | V10-I207 HydrophobicContact CG1-CD1 3.69Å; V10-I207 HydrophobicContact CG2-CD1 4.44Å; I12-I207 HydrophobicContact CD1-CG2 3.78Å; F153-I207 HydrophobicContact CE2-CG1 4.34Å; V174-I207 HydrophobicContact CB-CB 4.17Å; V174-I207 HydrophobicContact CG1-CB 3.67Å; V174-I207 HydrophobicContact CG1-CG1 3.88Å; V174-I207 HydrophobicContact CG1-CG2 4.38Å; V174-I207 PolarHBondContact O-N 3.21Å; I205-I207 HydrophobicContact CG2-CD1 4.04Å; I207-F209 PolarHBondContact O-N 3.22Å; I207-I212 HydrophobicContact CG2-CD1 3.7Å; I207-I212 HydrophobicContact CG2-CG1 4.4Å; I207-V218 HydrophobicContact CD1-CG1 3.95Å; I207-V218 HydrophobicContact CG1-CG1 4.36Å; I207-V218 HydrophobicContact CG2-CG2 4.24Å | ||
| 208 | P | 96.3 | Very high | 95.4 | Very high | 49 Ų | 49 | 46.4 Ų | 46.4 | 32% | 0.318 | 23% | 0.227 | S | C | . | . | trans | -58.4 | 130.9 | -179.9 | -24.1 | 34 | 0 | 0 | 0 | 112.1 | M1 D210 E211 | M1-P208 HydrophobicContact CE-CG 4.18Å; P208-D210 VanDerWaalsContact C-N 3.27Å; P208-D210 WeakPolarHBondContact CB-OD1 3.33Å; P208-D210 PolarHBondContact O-N 2.84Å; P208-E211 HydrophobicContact CB-CG 4.03Å; P208-E211 HydrophobicContact CG-CG 4.45Å; P208-E211 WeakPolarHBondContact O-CB 3.47Å; P208-E211 PolarHBondContact O-N 2.95Å; P208-E211 VanDerWaalsContact O-N 3.17Å | ||
| 209 | F | 96.7 | Very high | 96.1 | Very high | 44 Ų | 44 | 43.9 Ų | 43.9 | 19% | 0.193 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -65.5 | -27.1 | -175.1 | -64.7 | -25.3 | 0 | 0 | 0 | 113.5 | V162 F163 R172 V174 I207 E211 I212 | V162-F209 HydrophobicContact CB-CB 3.89Å; V162-F209 HydrophobicContact CB-CD1 4.31Å; V162-F209 HydrophobicContact CB-CG 4.19Å; V162-F209 HydrophobicContact CG1-CB 3.96Å; V162-F209 HydrophobicContact CG1-CD1 3.47Å; V162-F209 VanDerWaalsContact CG1-CD1 3.47Å; V162-F209 HydrophobicContact CG1-CD2 4.38Å; V162-F209 HydrophobicContact CG1-CE1 4.03Å; V162-F209 HydrophobicContact CG1-CG 3.68Å; F163-F209 HydrophobicContact CD1-CB 4.29Å; F163-F209 HydrophobicContact CD1-CD2 4.04Å; F163-F209 HydrophobicContact CD2-CB 3.7Å; F163-F209 HydrophobicContact CE1-CB 4.19Å; F163-F209 HydrophobicContact CE1-CD2 4Å; F163-F209 HydrophobicContact CE2-CB 3.6Å; F163-F209 HydrophobicContact CG-CB 4.06Å; F163-F209 HydrophobicContact CG-CD2 4.49Å; F163-F209 HydrophobicContact CZ-CB 3.86Å; F163-F209 HydrophobicContact CZ-CD2 4.44Å; R172-F209 HydrophobicContact CG-CE2 4.46Å; R172-F209 HydrophobicContact CG-CZ 4.11Å; V174-F209 HydrophobicContact CB-CE1 4.3Å; V174-F209 HydrophobicContact CG2-CD1 4.09Å; V174-F209 HydrophobicContact CG2-CE1 4Å; I207-F209 PolarHBondContact O-N 3.22Å; F209-E211 PolarHBondContact O-N 2.04Å; F209-I212 PolarHBondContact O-N 3.23Å |
| 210 | D | 94.8 | Very high | 96.6 | Very high | 86 Ų | 86 | 40.9 Ų | 40.9 | 46% | 0.46 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -68.9 | -22.9 | 176.5 | 49.7 | -49 | 0 | 0 | 0 | 113.2 | F163 P208 K213 | F163-D210 HydrophobicContact CE2-CB 3.8Å; F163-D210 VanDerWaalsContact CE2-N 3.3Å; P208-D210 VanDerWaalsContact C-N 3.27Å; P208-D210 WeakPolarHBondContact CB-OD1 3.33Å; P208-D210 PolarHBondContact O-N 2.84Å; D210-K213 WeakPolarHBondContact O-CE 3.26Å |
| 211 | E | 95.1 | Very high | 96.9 | Very high | 21 Ų | 21 | 42.1 Ų | 42.1 | 10% | 0.098 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -83.6 | -16.4 | -179.8 | -66.1 | -73.1 | 136.8 | 0 | 0 | 112.1 | I12 K14 P208 F209 T216 | I12-E211 HydrophobicContact CD1-CB 4.21Å; I12-E211 HydrophobicContact CD1-CG 4.31Å; I12-E211 HydrophobicContact CG2-CB 4.2Å; K14-E211 WeakPolarHBondContact CE-OE1 3.36Å; K14-E211 WeakPolarHBondContact CE-OE2 3.31Å; K14-E211 IonicContact NZ-OE1 3.75Å; K14-E211 PolarHBondContact NZ-OE1 3.2Å; K14-E211 IonicContact NZ-OE2 3.39Å; P208-E211 HydrophobicContact CB-CG 4.03Å; P208-E211 HydrophobicContact CG-CG 4.45Å; P208-E211 WeakPolarHBondContact O-CB 3.47Å; P208-E211 PolarHBondContact O-N 2.95Å; P208-E211 VanDerWaalsContact O-N 3.17Å; F209-E211 PolarHBondContact O-N 2.04Å; E211-T216 VanDerWaalsContact O-CG2 3.24Å; E211-T216 WeakPolarHBondContact O-CG2 3.3Å; E211-T216 PolarHBondContact O-OG1 3.49Å |
| 212 | I | 97.4 | Very high | 97.1 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.015 | 20% | 0.199 | C | C | . | . | trans | -90.7 | 108.5 | -177.9 | -53.2 | -50.6 | 0 | 0 | 0 | 111.1 | Y155 V158 V162 V174 I207 F209 T216 V218 | Y155-I212 HydrophobicContact CD1-CG2 3.68Å; Y155-I212 HydrophobicContact CD2-CD1 4.48Å; Y155-I212 HydrophobicContact CD2-CG2 4.13Å; Y155-I212 HydrophobicContact CE1-CG2 3.5Å; Y155-I212 VanDerWaalsContact CE1-CG2 3.5Å; Y155-I212 HydrophobicContact CE2-CD1 3.67Å; Y155-I212 HydrophobicContact CE2-CG2 3.99Å; Y155-I212 HydrophobicContact CG-CG2 3.99Å; V158-I212 HydrophobicContact CG2-CG2 4.45Å; V162-I212 HydrophobicContact CG2-CB 3.78Å; V162-I212 HydrophobicContact CG2-CG2 3.71Å; V174-I212 HydrophobicContact CG1-CD1 4.29Å; V174-I212 HydrophobicContact CG1-CG1 4.3Å; V174-I212 HydrophobicContact CG2-CG1 4.5Å; I207-I212 HydrophobicContact CG2-CD1 3.7Å; I207-I212 HydrophobicContact CG2-CG1 4.4Å; F209-I212 PolarHBondContact O-N 3.23Å; I212-T216 HydrophobicContact CD1-CG2 4.29Å; I212-V218 HydrophobicContact CD1-CG2 4.04Å | ||
| 213 | K | 97.1 | Very high | 97.2 | Very high | 128 Ų | 128 | 40 Ų | 40 | 56% | 0.557 | 20% | 0.203 | S | C | * | . | trans | -142 | 167.8 | 177.4 | -59.4 | -178.5 | -175.5 | 177.6 | 0 | 110.1 | Y155 D210 G215 T216 | Y155-K213 WeakPolarHBondContact CB-O 3.42Å; D210-K213 WeakPolarHBondContact O-CE 3.26Å; K213-G215 PolarHBondContact O-N 3.05Å; K213-T216 PolarHBondContact N-OG1 3.09Å; K213-T216 VanDerWaalsContact N-OG1 3.15Å; K213-T216 VanDerWaalsContact O-CB 3.28Å; K213-T216 WeakPolarHBondContact O-CB 3.31Å; K213-T216 PolarHBondContact O-N 3.05Å; K213-T216 PolarHBondContact O-OG1 2.7Å | ||
| 214 | S | 97.9 | Very high | 97.1 | Very high | 56 Ų | 56 | 42.8 Ų | 42.8 | 39% | 0.392 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 124.6 | 169.5 | -56.7 | 0 | 0 | 0 | 0 | 110.4 | P15 K156 V158 | P15-S214 WeakPolarHBondContact CG-O 3.44Å; K156-S214 WeakPolarHBondContact O-CB 3.43Å; V158-S214 PolarHBondContact N-OG 2.57Å |
| 215 | G | 98.1 | Very high | 97.1 | Very high | 17 Ų | 17 | 38.8 Ų | 38.8 | 18% | 0.175 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.2 | -7.9 | -176 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y155 K213 | Y155-G215 WeakPolarHBondContact O-CA 3.49Å; Y155-G215 PolarHBondContact O-N 2.81Å; K213-G215 PolarHBondContact O-N 3.05Å |
| 216 | T | 98.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | trans | -66 | 143.3 | 174.8 | -65.8 | 0 | 0 | 0 | 0 | 110.4 | I12 F13 Y155 E211 I212 K213 V218 | I12-T216 HydrophobicContact CG2-CG2 4Å; F13-T216 WeakPolarHBondContact O-CA 3.31Å; Y155-T216 HydrophobicContact CD2-CG2 4.13Å; Y155-T216 WeakPolarHBondContact CD2-O 3.4Å; Y155-T216 HydrophobicContact CE2-CG2 4.41Å; Y155-T216 PolarHBondContact N-O 3.48Å; Y155-T216 VanDerWaalsContact N-O 3.09Å; E211-T216 VanDerWaalsContact O-CG2 3.24Å; E211-T216 WeakPolarHBondContact O-CG2 3.3Å; E211-T216 PolarHBondContact O-OG1 3.49Å; I212-T216 HydrophobicContact CD1-CG2 4.29Å; K213-T216 PolarHBondContact N-OG1 3.09Å; K213-T216 VanDerWaalsContact N-OG1 3.15Å; K213-T216 VanDerWaalsContact O-CB 3.28Å; K213-T216 WeakPolarHBondContact O-CB 3.31Å; K213-T216 PolarHBondContact O-N 3.05Å; K213-T216 PolarHBondContact O-OG1 2.7Å; T216-V218 HydrophobicContact CG2-CG2 4.3Å | ||
| 217 | V | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 133 | 169.5 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | F13 K19 Y23 F153 V154 | F13-V217 HydrophobicContact CB-CB 4.23Å; F13-V217 HydrophobicContact CD2-CB 4.19Å; F13-V217 HydrophobicContact CD2-CG1 4.21Å; F13-V217 PolarHBondContact N-O 3.33Å; F13-V217 PolarHBondContact O-N 2.83Å; K19-V217 HydrophobicContact CB-CG2 4.39Å; Y23-V217 HydrophobicContact CD1-CG1 3.54Å; Y23-V217 HydrophobicContact CD2-CG1 3.93Å; Y23-V217 HydrophobicContact CE1-CG1 4.01Å; Y23-V217 HydrophobicContact CE2-CG1 4.36Å; Y23-V217 HydrophobicContact CG-CG1 3.51Å; F153-V217 WeakPolarHBondContact O-CA 3.07Å; V154-V217 HydrophobicContact CG1-CG2 4.24Å |
| 218 | V | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 112.6 | 171.9 | -174.2 | 0 | 0 | 0 | 0 | 108.2 | V10 H11 I12 W152 F153 Y155 I207 I212 T216 I220 | V10-V218 HydrophobicContact CG1-CG1 3.91Å; H11-V218 CarbonylContact O-C 3.54Å; H11-V218 WeakPolarHBondContact O-CA 3.47Å; I12-V218 HydrophobicContact CG1-CG1 4.36Å; I12-V218 HydrophobicContact CG1-CG2 4.38Å; I12-V218 HydrophobicContact CG2-CG2 4.38Å; W152-V218 CarbonylContact C-O 3.47Å; W152-V218 WeakPolarHBondContact CA-O 3.44Å; F153-V218 HydrophobicContact CB-CB 4.03Å; F153-V218 HydrophobicContact CB-CG2 4.44Å; F153-V218 HydrophobicContact CD2-CB 4.05Å; F153-V218 HydrophobicContact CD2-CG1 4.25Å; F153-V218 HydrophobicContact CD2-CG2 4.4Å; F153-V218 HydrophobicContact CG-CB 4.32Å; F153-V218 PolarHBondContact N-O 3.07Å; F153-V218 PolarHBondContact O-N 2.92Å; Y155-V218 HydrophobicContact CE2-CG2 4.07Å; I207-V218 HydrophobicContact CD1-CG1 3.95Å; I207-V218 HydrophobicContact CG1-CG1 4.36Å; I207-V218 HydrophobicContact CG2-CG2 4.24Å; I212-V218 HydrophobicContact CD1-CG2 4.04Å; T216-V218 HydrophobicContact CG2-CG2 4.3Å; V218-I220 HydrophobicContact CG1-CD1 4.21Å; V218-I220 HydrophobicContact CG1-CG1 3.8Å |
| 219 | D | 98.5 | Very high | 96.9 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 108.1 | 176.8 | 176.1 | 16 | 0 | 0 | 0 | 108.9 | H11 F13 Y23 W152 R221 | H11-D219 HydrophobicContact CB-CB 4.25Å; H11-D219 PolarHBondContact N-O 2.86Å; H11-D219 PolarHBondContact O-N 2.66Å; F13-D219 HydrophobicContact CE2-CB 3.93Å; Y23-D219 HydrophobicContact CE1-CB 3.93Å; Y23-D219 PolarHBondContact OH-OD2 2.81Å; W152-D219 PolarHBondContact NE1-OD1 3.38Å; W152-D219 VanDerWaalsContact NE1-OD1 3.17Å; D219-R221 IonicContact OD1-NE 2.85Å; D219-R221 IonicContact OD2-CZ 2.77Å; D219-R221 IonicContact OD2-NE 3.36Å; D219-R221 PolarHBondContact OD2-NE 3.35Å; D219-R221 IonicContact OD2-NH2 2.7Å; D219-R221 PolarHBondContact OD2-NH2 3.45Å |
| 220 | I | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 110.2 | -178.2 | -49 | 176.2 | 0 | 0 | 0 | 108.2 | Y8 V10 D150 I151 F153 L176 V218 | Y8-I220 HydrophobicContact CD1-CG2 3.65Å; Y8-I220 HydrophobicContact CG-CG2 3.84Å; V10-I220 HydrophobicContact CG2-CG1 4.32Å; V10-I220 HydrophobicContact CG2-CG2 4.12Å; D150-I220 CarbonylContact C-O 3.31Å; D150-I220 WeakPolarHBondContact CA-O 3.31Å; I151-I220 HydrophobicContact CB-CB 4.18Å; I151-I220 HydrophobicContact CG2-CD1 4.42Å; I151-I220 PolarHBondContact N-O 2.83Å; I151-I220 WeakPolarHBondContact O-CB 3.44Å; I151-I220 PolarHBondContact O-N 2.94Å; F153-I220 HydrophobicContact CD2-CD1 4.39Å; F153-I220 HydrophobicContact CE1-CD1 4.29Å; F153-I220 HydrophobicContact CE2-CD1 3.79Å; F153-I220 HydrophobicContact CZ-CD1 3.73Å; L176-I220 HydrophobicContact CD1-CD1 4.23Å; L176-I220 HydrophobicContact CD1-CG2 4.03Å; L176-I220 HydrophobicContact CD2-CD1 4.25Å; L176-I220 HydrophobicContact CG-CD1 4.19Å; V218-I220 HydrophobicContact CG1-CD1 4.21Å; V218-I220 HydrophobicContact CG1-CG1 3.8Å |
| 221 | R | 98.2 | Very high | 96.6 | Very high | 111 Ų | 111 | 38.6 Ų | 38.6 | 42% | 0.419 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 131.9 | -174.9 | -61.8 | -175.5 | -175.8 | 179.8 | 0.3 | 111.6 | Y8 T9 D150 D219 | Y8-R221 CarbonylContact C-O 3.59Å; Y8-R221 WeakPolarHBondContact CA-O 3.44Å; Y8-R221 WeakPolarHBondContact CD1-O 3.43Å; T9-R221 PolarHBondContact N-O 2.97Å; T9-R221 PolarHBondContact O-N 3.27Å; D150-R221 VanDerWaalsContact OD1-CA 3.24Å; D150-R221 WeakPolarHBondContact OD1-CA 3.06Å; D219-R221 IonicContact OD1-NE 2.85Å; D219-R221 IonicContact OD2-CZ 2.77Å; D219-R221 IonicContact OD2-NE 3.36Å; D219-R221 PolarHBondContact OD2-NE 3.35Å; D219-R221 IonicContact OD2-NH2 2.7Å; D219-R221 PolarHBondContact OD2-NH2 3.45Å |
| 222 | A | 97.6 | Very high | 96.4 | Very high | 34 Ų | 34 | 38.5 Ų | 38.5 | 28% | 0.281 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 129.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y8 D150 | Y8-A222 HydrophobicContact CD1-CB 4.22Å; Y8-A222 HydrophobicContact CE1-CB 3.9Å; D150-A222 PolarHBondContact OD1-N 2.93Å |
| 223 | S | 95.8 | Very high | 96.2 | Very high | 34 Ų | 34 | 46.5 Ų | 46.5 | 24% | 0.238 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -90.7 | 144.4 | 171.7 | -62.1 | 0 | 0 | 0 | 0 | 110.2 | Y7 V225 | Y7-S223 WeakPolarHBondContact O-CB 3.48Å; Y7-S223 PolarHBondContact O-N 3.39Å; S223-V225 PolarHBondContact O-N 2.04Å |
| 224 | P | 94.7 | Very high | 96.1 | Very high | 87 Ų | 87 | 44 Ų | 44 | 57% | 0.565 | 24% | 0.243 | S | C | * | . | P | Polyproline II helix | trans | -61.4 | 137.1 | 173.4 | -20.2 | 31.5 | 0 | 0 | 0 | 111.3 | L240 | P224-L240 HydrophobicContact CB-CD2 3.83Š|
| 225 | V | 95.9 | Very high | 95.9 | Very high | 6 Ų | 6 | 41.3 Ų | 41.3 | 4% | 0.036 | 22% | 0.224 | C | C | . | . | trans | -133 | 156 | -179.6 | -65 | 0 | 0 | 0 | 0 | 111.4 | Y7 S223 I227 S228 F229 F243 | Y7-V225 HydrophobicContact CD1-CG1 3.66Å; Y7-V225 HydrophobicContact CE1-CG1 4.18Å; S223-V225 PolarHBondContact O-N 2.04Å; V225-I227 VanDerWaalsContact C-N 3.3Å; V225-I227 HydrophobicContact CG2-CG2 3.8Å; V225-I227 PolarHBondContact O-N 3.49Å; V225-S228 WeakPolarHBondContact CG2-OG 3.49Å; V225-S228 WeakPolarHBondContact O-CB 3.44Å; V225-S228 PolarHBondContact O-N 2.81Å; V225-F229 WeakPolarHBondContact O-CD2 3.35Å; V225-F243 HydrophobicContact CB-CE2 4.29Å; V225-F243 HydrophobicContact CG1-CD2 4.17Å; V225-F243 HydrophobicContact CG1-CE2 3.51Å; V225-F243 HydrophobicContact CG1-CZ 4.02Å | ||
| 226 | C | 96.5 | Very high | 95.6 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.014 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -53.1 | -46.3 | -175.3 | -60.1 | 0 | 0 | 0 | 0 | 112.5 | S228 F229 F243 C245 C259 | C226-S228 PolarHBondContact O-N 3.38Å; C226-F229 WeakPolarHBondContact O-CD2 3.24Å; C226-F229 PolarHBondContact O-N 3.23Å; C226-F243 VanDerWaalsContact SG-CB 3.56Å; C226-C245 WeakPolarHBondContact CA-SG 3.28Å; C226-C245 HydrophobicContact CB-CB 3.83Å; C226-C245 WeakPolarHBondContact CB-SG 3.21Å; C226-C245 WeakPolarHBondContact SG-CA 3.36Å; C226-C245 WeakPolarHBondContact SG-CB 2.96Å; C226-C245 CovalentContact SG-SG 2.04Å; C226-C245 PolarHBondContact SG-SG 3.01Å; C226-C259 WeakPolarHBondContact O-CB 3.3Å; C226-C259 PolarHBondContact O-SG 2.97Å |
| 227 | I | 95.7 | Very high | 95.3 | Very high | 28 Ų | 28 | 47.2 Ų | 47.2 | 14% | 0.144 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -61.7 | -16.6 | -176.7 | -162.1 | 64.6 | 0 | 0 | 0 | 114.1 | V225 F229 F258 C259 | V225-I227 VanDerWaalsContact C-N 3.3Å; V225-I227 HydrophobicContact CG2-CG2 3.8Å; V225-I227 PolarHBondContact O-N 3.49Å; I227-F229 VanDerWaalsContact C-N 3.29Å; I227-F258 HydrophobicContact CD1-CB 4.06Å; I227-F258 HydrophobicContact CD1-CD2 3.63Å; I227-F258 HydrophobicContact CD1-CG 4.24Å; I227-C259 WeakPolarHBondContact CA-O 3.37Å; I227-C259 WeakPolarHBondContact CD1-O 3.28Å |
| 228 | S | 94.5 | Very high | 95.1 | Very high | 55 Ų | 55 | 49 Ų | 49 | 39% | 0.385 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -74.9 | -17.1 | 175.6 | -58.2 | 0 | 0 | 0 | 0 | 113.4 | G66 V225 C226 | G66-S228 WeakPolarHBondContact CA-OG 3.31Å; V225-S228 WeakPolarHBondContact CG2-OG 3.49Å; V225-S228 WeakPolarHBondContact O-CB 3.44Å; V225-S228 PolarHBondContact O-N 2.81Å; C226-S228 PolarHBondContact O-N 3.38Å |
| 229 | F | 95.3 | Very high | 94.9 | Very high | 49 Ų | 49 | 55.6 Ų | 55.6 | 22% | 0.215 | 30% | 0.301 | C | S | . | . | trans | -87.3 | 117.7 | 176.7 | -61.7 | -82.2 | 0 | 0 | 0 | 110.4 | V225 C226 I227 D234 C235 V238 L240 C259 | V225-F229 WeakPolarHBondContact O-CD2 3.35Å; C226-F229 WeakPolarHBondContact O-CD2 3.24Å; C226-F229 PolarHBondContact O-N 3.23Å; I227-F229 VanDerWaalsContact C-N 3.29Å; F229-D234 HydrophobicContact CB-CB 4.45Å; F229-D234 HydrophobicContact CD1-CB 3.81Å; F229-C235 HydrophobicContact CB-CB 4.25Å; F229-V238 HydrophobicContact CD2-CG1 3.98Å; F229-V238 HydrophobicContact CE1-CB 4.18Å; F229-V238 HydrophobicContact CE1-CG2 4.02Å; F229-V238 HydrophobicContact CE2-CB 4.15Å; F229-V238 HydrophobicContact CE2-CG1 3.87Å; F229-V238 HydrophobicContact CE2-CG2 3.78Å; F229-V238 HydrophobicContact CG-CG1 4.43Å; F229-V238 HydrophobicContact CZ-CB 3.96Å; F229-V238 HydrophobicContact CZ-CG1 4.19Å; F229-V238 HydrophobicContact CZ-CG2 3.42Å; F229-V238 VanDerWaalsContact CZ-CG2 3.42Å; F229-L240 HydrophobicContact CE2-CD1 4.21Å; F229-L240 HydrophobicContact CE2-CD2 4.34Å; F229-C259 HydrophobicContact CB-CB 4.2Å; F229-C259 VanDerWaalsContact O-CB 3.26Å; F229-C259 WeakPolarHBondContact O-CB 3.02Å | ||
| 230 | T | 93.1 | Very high | 94.7 | Very high | 119 Ų | 119 | 56.9 Ų | 56.9 | 73% | 0.73 | 31% | 0.308 | S | S | * | . | trans | -95.3 | -2.3 | -168.5 | 55.7 | 0 | 0 | 0 | 0 | 114.4 | W247 | T230-W247 WeakPolarHBondContact O-CH2 3.44Š| ||
| 231 | N | 92.4 | Very high | 94.3 | Very high | 57 Ų | 57 | 64.6 Ų | 64.6 | 31% | 0.305 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -133.9 | 154 | 176.4 | 69 | 81.7 | 0 | 0 | 0 | 110.7 | W233 D234 C235 W247 | N231-W233 VanDerWaalsContact C-N 3.3Å; N231-W233 PolarHBondContact O-N 3.5Å; N231-W233 WeakPolarHBondContact OD1-CB 3.44Å; N231-W233 PolarHBondContact OD1-N 2.93Å; N231-D234 VanDerWaalsContact ND2-CG 3.34Å; N231-D234 PolarHBondContact ND2-OD2 2.8Å; N231-D234 PolarHBondContact OD1-N 2.87Å; N231-C235 WeakPolarHBondContact O-CB 3.5Å; N231-C235 PolarHBondContact O-N 2.89Å; N231-C235 VanDerWaalsContact O-N 3.12Å; N231-W247 WeakPolarHBondContact O-CZ3 3.33Å |
| 232 | C | 92.3 | Very high | 94 | Very high | 18 Ų | 18 | 63.6 Ų | 63.6 | 12% | 0.122 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.6 | -41.6 | -177.2 | 178.9 | 0 | 0 | 0 | 0 | 111.9 | D234 C235 M236 W247 C286 | C232-D234 PolarHBondContact O-N 2.93Å; C232-C235 WeakPolarHBondContact O-CB 3.11Å; C232-C235 PolarHBondContact O-N 2.68Å; C232-M236 WeakPolarHBondContact O-CB 3.02Å; C232-M236 WeakPolarHBondContact O-CG 3.01Å; C232-M236 PolarHBondContact O-N 3.19Å; C232-W247 VanDerWaalsContact CA-CE3 3.48Å; C232-W247 HydrophobicContact CB-CB 4.38Å; C232-W247 HydrophobicContact CB-CD2 3.63Å; C232-W247 HydrophobicContact CB-CE3 4.16Å; C232-W247 HydrophobicContact CB-CG 3.72Å; C232-W247 HydrophobicContact CB-CZ2 4.34Å; C232-C286 HydrophobicContact CB-CB 3.68Å; C232-C286 WeakPolarHBondContact CB-SG 3.36Å; C232-C286 PolarHBondContact O-SG 3.35Å; C232-C286 WeakPolarHBondContact SG-CA 3.42Å; C232-C286 WeakPolarHBondContact SG-CB 3.08Å; C232-C286 CovalentContact SG-SG 2.04Å; C232-C286 PolarHBondContact SG-SG 3.25Å |
| 233 | W | 92.3 | Very high | 93.8 | Very high | 171 Ų | 171 | 63 Ų | 63 | 65% | 0.648 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61.6 | -49.8 | -175.2 | -174.7 | -97.4 | 0 | 0 | 0 | 112.3 | N231 M236 N237 | N231-W233 VanDerWaalsContact C-N 3.3Å; N231-W233 PolarHBondContact O-N 3.5Å; N231-W233 WeakPolarHBondContact OD1-CB 3.44Å; N231-W233 PolarHBondContact OD1-N 2.93Å; W233-M236 PolarHBondContact O-N 3.35Å; W233-N237 VanDerWaalsContact CD2-ND2 3.34Å; W233-N237 WeakPolarHBondContact CZ2-ND2 2.98Å; W233-N237 PolarHBondContact NE1-ND2 3.06Å; W233-N237 VanDerWaalsContact NE1-ND2 3.19Å; W233-N237 WeakPolarHBondContact O-CB 3.47Å; W233-N237 PolarHBondContact O-N 3.13Å; W233-N237 VanDerWaalsContact O-N 3.13Å; W233-N237 PolarHBondContact O-ND2 3.34Å; W233-N237 VanDerWaalsContact O-ND2 3.16Å |
| 234 | D | 94.5 | Very high | 93.6 | Very high | 76 Ų | 76 | 66.3 Ų | 66.3 | 41% | 0.406 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.6 | -38.6 | 179.1 | -64.2 | -18.2 | 0 | 0 | 0 | 111.3 | F229 N231 C232 M236 N237 V238 | F229-D234 HydrophobicContact CB-CB 4.45Å; F229-D234 HydrophobicContact CD1-CB 3.81Å; N231-D234 VanDerWaalsContact ND2-CG 3.34Å; N231-D234 PolarHBondContact ND2-OD2 2.8Å; N231-D234 PolarHBondContact OD1-N 2.87Å; C232-D234 PolarHBondContact O-N 2.93Å; D234-M236 VanDerWaalsContact C-N 3.29Å; D234-M236 PolarHBondContact O-N 2.94Å; D234-N237 PolarHBondContact O-N 2.02Å; D234-V238 VanDerWaalsContact O-CB 3.3Å; D234-V238 WeakPolarHBondContact O-CB 3.04Å; D234-V238 WeakPolarHBondContact O-CG1 3.37Å; D234-V238 PolarHBondContact O-N 3.33Å |
| 235 | C | 94.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.4 | -39.2 | 176.6 | 179.2 | 0 | 0 | 0 | 0 | 113.2 | F229 N231 C232 V238 C245 S246 W247 C259 | F229-C235 HydrophobicContact CB-CB 4.25Å; N231-C235 WeakPolarHBondContact O-CB 3.5Å; N231-C235 PolarHBondContact O-N 2.89Å; N231-C235 VanDerWaalsContact O-N 3.12Å; C232-C235 WeakPolarHBondContact O-CB 3.11Å; C232-C235 PolarHBondContact O-N 2.68Å; C235-V238 WeakPolarHBondContact O-CG1 3.2Å; C235-C245 VanDerWaalsContact O-CB 3.3Å; C235-C245 WeakPolarHBondContact O-CB 3.18Å; C235-S246 PolarHBondContact SG-O 3.2Å; C235-S246 VanDerWaalsContact SG-O 3.33Å; C235-W247 HydrophobicContact CB-CE3 3.65Å; C235-W247 HydrophobicContact CB-CZ3 4.15Å; C235-C259 VanDerWaalsContact CA-SG 3.57Å; C235-C259 HydrophobicContact CB-CB 3.54Å; C235-C259 WeakPolarHBondContact CB-SG 2.95Å; C235-C259 WeakPolarHBondContact SG-CA 3.33Å; C235-C259 WeakPolarHBondContact SG-CB 3.24Å; C235-C259 CovalentContact SG-SG 2.02Å; C235-C259 PolarHBondContact SG-SG 3.5Å |
| 236 | M | 90.7 | Very high | 93.4 | Very high | 50 Ų | 50 | 63.3 Ų | 63.3 | 25% | 0.246 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -86.2 | -23.1 | -173.9 | -62.4 | -69.4 | -71.1 | 0 | 0 | 112.3 | C232 W233 D234 W247 F284 | C232-M236 WeakPolarHBondContact O-CB 3.02Å; C232-M236 WeakPolarHBondContact O-CG 3.01Å; C232-M236 PolarHBondContact O-N 3.19Å; W233-M236 PolarHBondContact O-N 3.35Å; D234-M236 VanDerWaalsContact C-N 3.29Å; D234-M236 PolarHBondContact O-N 2.94Å; M236-W247 HydrophobicContact CG-CB 4.36Å; M236-W247 HydrophobicContact SD-CB 3.97Å; M236-F284 HydrophobicContact CE-CD1 3.18Å; M236-F284 HydrophobicContact CE-CD2 4.39Å; M236-F284 HydrophobicContact CE-CE1 3.03Å; M236-F284 HydrophobicContact CE-CE2 4.26Å; M236-F284 HydrophobicContact CE-CG 3.9Å; M236-F284 HydrophobicContact CE-CZ 3.62Å; M236-F284 WeakPolarHBondContact CE-O 3.47Å; M236-F284 HydrophobicContact SD-CE1 4.21Å; M236-F284 HydrophobicContact SD-CZ 4.3Å |
| 237 | N | 92.4 | Very high | 93.2 | Very high | 92 Ų | 92 | 65.3 Ų | 65.3 | 49% | 0.492 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -99.7 | -11.3 | -179.4 | -70.6 | -36.2 | 0 | 0 | 0 | 113.7 | W233 D234 | W233-N237 VanDerWaalsContact CD2-ND2 3.34Å; W233-N237 WeakPolarHBondContact CZ2-ND2 2.98Å; W233-N237 PolarHBondContact NE1-ND2 3.06Å; W233-N237 VanDerWaalsContact NE1-ND2 3.19Å; W233-N237 WeakPolarHBondContact O-CB 3.47Å; W233-N237 PolarHBondContact O-N 3.13Å; W233-N237 VanDerWaalsContact O-N 3.13Å; W233-N237 PolarHBondContact O-ND2 3.34Å; W233-N237 VanDerWaalsContact O-ND2 3.16Å; D234-N237 PolarHBondContact O-N 2.02Å |
| 238 | V | 93.8 | Very high | 93.1 | Very high | 37 Ų | 37 | 64 Ų | 64 | 22% | 0.224 | 33% | 0.33 | C | S | . | . | trans | -71.7 | 134.3 | 177.7 | 68.4 | 0 | 0 | 0 | 0 | 111 | F229 D234 C235 L240 C245 | F229-V238 HydrophobicContact CD2-CG1 3.98Å; F229-V238 HydrophobicContact CE1-CB 4.18Å; F229-V238 HydrophobicContact CE1-CG2 4.02Å; F229-V238 HydrophobicContact CE2-CB 4.15Å; F229-V238 HydrophobicContact CE2-CG1 3.87Å; F229-V238 HydrophobicContact CE2-CG2 3.78Å; F229-V238 HydrophobicContact CG-CG1 4.43Å; F229-V238 HydrophobicContact CZ-CB 3.96Å; F229-V238 HydrophobicContact CZ-CG1 4.19Å; F229-V238 HydrophobicContact CZ-CG2 3.42Å; F229-V238 VanDerWaalsContact CZ-CG2 3.42Å; D234-V238 VanDerWaalsContact O-CB 3.3Å; D234-V238 WeakPolarHBondContact O-CB 3.04Å; D234-V238 WeakPolarHBondContact O-CG1 3.37Å; D234-V238 PolarHBondContact O-N 3.33Å; C235-V238 WeakPolarHBondContact O-CG1 3.2Å; V238-L240 HydrophobicContact CG1-CG 4.35Å; V238-L240 HydrophobicContact CG2-CD2 3.5Å; V238-L240 HydrophobicContact CG2-CG 3.82Å; V238-C245 HydrophobicContact CG1-CB 4.09Å | ||
| 239 | T | 94.5 | Very high | 92.8 | Very high | 138 Ų | 138 | 63.9 Ų | 63.9 | 85% | 0.847 | 33% | 0.325 | S | S | * | . | trans | -106.7 | 112.1 | 167.3 | -56.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 240 | L | 94.3 | Very high | 92.5 | Very high | 30 Ų | 30 | 61.6 Ų | 61.6 | 16% | 0.157 | 32% | 0.315 | C | S | . | . | trans | -106 | 152.1 | 176 | -59.2 | -177 | 0 | 0 | 0 | 110.6 | P224 F229 V238 F243 | P224-L240 HydrophobicContact CB-CD2 3.83Å; F229-L240 HydrophobicContact CE2-CD1 4.21Å; F229-L240 HydrophobicContact CE2-CD2 4.34Å; V238-L240 HydrophobicContact CG1-CG 4.35Å; V238-L240 HydrophobicContact CG2-CD2 3.5Å; V238-L240 HydrophobicContact CG2-CG 3.82Å; L240-F243 HydrophobicContact CB-CB 4.32Å; L240-F243 HydrophobicContact CD1-CB 4.18Å; L240-F243 HydrophobicContact CD1-CD2 4.28Å | ||
| 241 | K | 91.3 | Very high | 92.1 | Very high | 163 Ų | 163 | 57.8 Ų | 57.8 | 71% | 0.709 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -64.5 | -43.1 | -178.9 | -178.1 | -175 | 169.3 | -172.7 | 0 | 112.6 | D4 | D4-K241 IonicContact OD2-NZ 2.99Å; D4-K241 PolarHBondContact OD2-NZ 2.94Å |
| 242 | E | 91.1 | Very high | 91.8 | Very high | 90 Ų | 90 | 64.1 Ų | 64.1 | 42% | 0.421 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -109.2 | -9.3 | -168.3 | -63.6 | -65.8 | 149.3 | 0 | 0 | 113.8 | ||
| 243 | F | 93.1 | Very high | 91.4 | Very high | 22 Ų | 22 | 70.6 Ų | 70.6 | 10% | 0.096 | 35% | 0.348 | C | S | . | . | trans | -133.7 | 134.3 | -171 | -56 | -76.6 | 0 | 0 | 0 | 111.9 | K6 Y7 V225 C226 L240 D261 | K6-F243 HydrophobicContact CB-CZ 4.02Å; K6-F243 VanDerWaalsContact O-CE2 3.28Å; K6-F243 WeakPolarHBondContact O-CE2 3.29Å; Y7-F243 AromaticContact CD1-CZ 3.94Å; Y7-F243 HydrophobicContact CD1-CZ 3.94Å; Y7-F243 HydrophobicContact CD2-CZ 4.49Å; Y7-F243 HydrophobicContact CE1-CE1 4.07Å; Y7-F243 AromaticContact CE1-CZ 3.62Å; Y7-F243 HydrophobicContact CE1-CZ 3.62Å; Y7-F243 HydrophobicContact CE2-CZ 4.24Å; Y7-F243 HydrophobicContact CG-CZ 4.33Å; Y7-F243 AromaticContact CZ-CE1 3.96Å; Y7-F243 AromaticContact CZ-CZ 3.78Å; V225-F243 HydrophobicContact CB-CE2 4.29Å; V225-F243 HydrophobicContact CG1-CD2 4.17Å; V225-F243 HydrophobicContact CG1-CE2 3.51Å; V225-F243 HydrophobicContact CG1-CZ 4.02Å; C226-F243 VanDerWaalsContact SG-CB 3.56Å; L240-F243 HydrophobicContact CB-CB 4.32Å; L240-F243 HydrophobicContact CD1-CB 4.18Å; L240-F243 HydrophobicContact CD1-CD2 4.28Å; F243-D261 HydrophobicContact CB-CB 4.26Å; F243-D261 HydrophobicContact CD1-CB 3.92Å | ||
| 244 | N | 93 | Very high | 90.9 | Very high | 103 Ų | 103 | 68.6 Ų | 68.6 | 55% | 0.551 | 34% | 0.341 | S | S | * | . | trans | -97.7 | 111.9 | 165.7 | -167 | 14.7 | 0 | 0 | 0 | 108.7 | D261 E262 | N244-D261 WeakPolarHBondContact O-CA 3.36Å; N244-E262 HydrophobicContact CB-CG 4.22Å; N244-E262 PolarHBondContact ND2-OE1 3.06Å; N244-E262 PolarHBondContact O-N 2.82Å | ||
| 245 | C | 93.8 | Very high | 90.4 | Very high | 13 Ų | 13 | 66.4 Ų | 66.4 | 9% | 0.088 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 144.1 | -171.6 | -58.7 | 0 | 0 | 0 | 0 | 112.1 | C226 C235 V238 S260 | C226-C245 WeakPolarHBondContact CA-SG 3.28Å; C226-C245 HydrophobicContact CB-CB 3.83Å; C226-C245 WeakPolarHBondContact CB-SG 3.21Å; C226-C245 WeakPolarHBondContact SG-CA 3.36Å; C226-C245 WeakPolarHBondContact SG-CB 2.96Å; C226-C245 CovalentContact SG-SG 2.04Å; C226-C245 PolarHBondContact SG-SG 3.01Å; C235-C245 VanDerWaalsContact O-CB 3.3Å; C235-C245 WeakPolarHBondContact O-CB 3.18Å; V238-C245 HydrophobicContact CG1-CB 4.09Å; C245-S260 CarbonylContact C-O 3.25Å; C245-S260 WeakPolarHBondContact CA-O 3.25Å |
| 246 | S | 92.2 | Very high | 90.2 | Very high | 17 Ų | 17 | 70 Ų | 70 | 12% | 0.119 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 154.7 | 172.4 | 68.4 | 0 | 0 | 0 | 0 | 111 | C235 S260 | C235-S246 PolarHBondContact SG-O 3.2Å; C235-S246 VanDerWaalsContact SG-O 3.33Å; S246-S260 PolarHBondContact N-O 3.19Å; S246-S260 PolarHBondContact O-N 3.14Å; S246-S260 VanDerWaalsContact O-O 3.12Å |
| 247 | W | 92.5 | Very high | 90.3 | Very high | 44 Ų | 44 | 69.3 Ų | 69.3 | 17% | 0.167 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 120.5 | -179.6 | -167.4 | -107.1 | 0 | 0 | 0 | 111.6 | T230 N231 C232 C235 M236 N249 C259 | T230-W247 WeakPolarHBondContact O-CH2 3.44Å; N231-W247 WeakPolarHBondContact O-CZ3 3.33Å; C232-W247 VanDerWaalsContact CA-CE3 3.48Å; C232-W247 HydrophobicContact CB-CB 4.38Å; C232-W247 HydrophobicContact CB-CD2 3.63Å; C232-W247 HydrophobicContact CB-CE3 4.16Å; C232-W247 HydrophobicContact CB-CG 3.72Å; C232-W247 HydrophobicContact CB-CZ2 4.34Å; C235-W247 HydrophobicContact CB-CE3 3.65Å; C235-W247 HydrophobicContact CB-CZ3 4.15Å; M236-W247 HydrophobicContact CG-CB 4.36Å; M236-W247 HydrophobicContact SD-CB 3.97Å; W247-N249 PolarHBondContact NE1-OD1 3.06Å; W247-C259 HydrophobicContact CE3-CB 3.88Å; W247-C259 HydrophobicContact CZ3-CB 3.89Å |
| 248 | C | 92.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 106.6 | 176.1 | -178.9 | 0 | 0 | 0 | 0 | 109.5 | V250 S257 F258 C277 | C248-V250 PolarHBondContact O-N 3.01Å; C248-S257 WeakPolarHBondContact O-CA 3.31Å; C248-S257 WeakPolarHBondContact O-CB 3.44Å; C248-F258 WeakPolarHBondContact CA-O 3.46Å; C248-F258 HydrophobicContact CB-CD1 4.03Å; C248-F258 HydrophobicContact CB-CD2 4.22Å; C248-F258 HydrophobicContact CB-CE1 3.86Å; C248-F258 HydrophobicContact CB-CE2 3.97Å; C248-F258 HydrophobicContact CB-CG 4.28Å; C248-F258 HydrophobicContact CB-CZ 3.84Å; C248-F258 WeakPolarHBondContact CB-O 3.36Å; C248-F258 PolarHBondContact N-O 3.27Å; C248-F258 PolarHBondContact O-N 3.22Å; C248-F258 WeakPolarHBondContact SG-CE1 3.17Å; C248-F258 WeakPolarHBondContact SG-CZ 3.43Å; C248-C277 VanDerWaalsContact CA-SG 3.52Å; C248-C277 HydrophobicContact CB-CB 3.65Å; C248-C277 WeakPolarHBondContact CB-SG 3.49Å; C248-C277 WeakPolarHBondContact SG-CB 3.33Å; C248-C277 CovalentContact SG-SG 2.01Å; C248-C277 PolarHBondContact SG-SG 2.95Å |
| 249 | N | 89.3 | Confident | 90.6 | Very high | 52 Ų | 52 | 63.7 Ų | 63.7 | 28% | 0.278 | 33% | 0.33 | S | S | . | . | trans | -77.6 | 116.6 | 179.4 | -71.7 | -53.7 | 0 | 0 | 0 | 110.7 | W247 I289 | W247-N249 PolarHBondContact NE1-OD1 3.06Å; N249-I289 HydrophobicContact CB-CD1 3.74Å; N249-I289 WeakPolarHBondContact OD1-CD1 3.45Å | ||
| 250 | V | 87.7 | Confident | 90.6 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | trans | -121.8 | 128.2 | 175 | 179.4 | 0 | 0 | 0 | 0 | 108.4 | C248 E252 S256 S257 F258 Y275 | C248-V250 PolarHBondContact O-N 3.01Å; V250-E252 PolarHBondContact O-N 3.3Å; V250-S256 WeakPolarHBondContact CB-O 3.43Å; V250-S257 PolarHBondContact N-OG 3.43Å; V250-S257 PolarHBondContact O-OG 3.17Å; V250-S257 VanDerWaalsContact O-OG 3.06Å; V250-F258 HydrophobicContact CG2-CD1 4.02Å; V250-F258 HydrophobicContact CG2-CE1 3.74Å; V250-Y275 HydrophobicContact CB-CD2 4.29Å; V250-Y275 HydrophobicContact CB-CE2 4.34Å; V250-Y275 HydrophobicContact CG1-CD2 4Å; V250-Y275 HydrophobicContact CG1-CE1 4.42Å; V250-Y275 HydrophobicContact CG1-CE2 3.55Å; V250-Y275 HydrophobicContact CG2-CD2 3.58Å; V250-Y275 HydrophobicContact CG2-CE2 4.01Å; V250-Y275 HydrophobicContact CG2-CG 4.09Å | ||
| 251 | P | 86.2 | Confident | 90.5 | Very high | 40 Ų | 40 | 56.6 Ų | 56.6 | 26% | 0.26 | 29% | 0.287 | S | S | . | . | trans | -57.4 | 133.7 | 175.3 | -24.7 | 34.6 | 0 | 0 | 0 | 111.6 | E253 R254 G255 Y275 | P251-E253 HydrophobicContact CB-CG 3.99Å; P251-E253 PolarHBondContact O-N 3.42Å; P251-E253 VanDerWaalsContact O-N 3.09Å; P251-R254 PolarHBondContact O-N 3.22Å; P251-G255 PolarHBondContact O-N 3.26Å; P251-Y275 HydrophobicContact CG-CE1 4.44Å | ||
| 252 | E | 84.5 | Confident | 90.4 | Very high | 190 Ų | 190 | 54.5 Ų | 54.5 | 89% | 0.888 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -54 | -33.6 | -177.3 | -66.8 | -174.7 | 169.5 | 0 | 0 | 113 | V250 R254 G255 | V250-E252 PolarHBondContact O-N 3.3Å; E252-R254 PolarHBondContact O-N 3.16Å; E252-G255 CarbonylContact C-O 3.52Å; E252-G255 WeakPolarHBondContact CA-O 3.48Å; E252-G255 PolarHBondContact O-N 2.94Å |
| 253 | E | 84.9 | Confident | 90.4 | Very high | 153 Ų | 153 | 52.6 Ų | 52.6 | 72% | 0.715 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -65.5 | -18.8 | 177.8 | 70.9 | -160.4 | -168.7 | 0 | 0 | 114.1 | P251 | P251-E253 HydrophobicContact CB-CG 3.99Å; P251-E253 PolarHBondContact O-N 3.42Å; P251-E253 VanDerWaalsContact O-N 3.09Å |
| 254 | R | 80.8 | Confident | 90.4 | Very high | 129 Ų | 129 | 51.5 Ų | 51.5 | 49% | 0.487 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -118.2 | -2.5 | -178.5 | -54.7 | -165.6 | -177.7 | 176.9 | -0.2 | 114.2 | P251 E252 Y275 | P251-R254 PolarHBondContact O-N 3.22Å; E252-R254 PolarHBondContact O-N 3.16Å; R254-Y275 WeakPolarHBondContact CB-OH 3.41Å; R254-Y275 WeakPolarHBondContact CD-OH 3.4Å |
| 255 | G | 85.4 | Confident | 90.5 | Very high | 31 Ų | 31 | 49.5 Ų | 49.5 | 32% | 0.32 | 26% | 0.263 | S | S | . | . | trans | 151.3 | -170.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | P251 E252 | P251-G255 PolarHBondContact O-N 3.26Å; E252-G255 CarbonylContact C-O 3.52Å; E252-G255 WeakPolarHBondContact CA-O 3.48Å; E252-G255 PolarHBondContact O-N 2.94Å | ||
| 256 | S | 90.4 | Very high | 90.5 | Very high | 75 Ų | 75 | 49.2 Ų | 49.2 | 52% | 0.524 | 26% | 0.261 | S | S | . | . | trans | -101 | 147.9 | 174.8 | 56.1 | 0 | 0 | 0 | 0 | 111.3 | V250 R268 | V250-S256 WeakPolarHBondContact CB-O 3.43Å; S256-R268 VanDerWaalsContact O-CZ 3.23Å; S256-R268 PolarHBondContact O-NH1 3.15Å; S256-R268 PolarHBondContact O-NH2 2.85Å; S256-R268 PolarHBondContact OG-NH1 3.36Å | ||
| 257 | S | 93.1 | Very high | 90.6 | Very high | 36 Ų | 36 | 49.5 Ų | 49.5 | 25% | 0.252 | 26% | 0.259 | S | S | . | . | trans | -65.2 | 155.4 | 164.6 | -64.2 | 0 | 0 | 0 | 0 | 110.5 | C248 V250 | C248-S257 WeakPolarHBondContact O-CA 3.31Å; C248-S257 WeakPolarHBondContact O-CB 3.44Å; V250-S257 PolarHBondContact N-OG 3.43Å; V250-S257 PolarHBondContact O-OG 3.17Å; V250-S257 VanDerWaalsContact O-OG 3.06Å | ||
| 258 | F | 95.2 | Very high | 90.7 | Very high | 10 Ų | 10 | 49.4 Ų | 49.4 | 4% | 0.044 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 156.8 | -174.7 | 61.7 | -76.6 | 0 | 0 | 0 | 112.5 | I227 C248 V250 H266 R268 D271 W272 | I227-F258 HydrophobicContact CD1-CB 4.06Å; I227-F258 HydrophobicContact CD1-CD2 3.63Å; I227-F258 HydrophobicContact CD1-CG 4.24Å; C248-F258 WeakPolarHBondContact CA-O 3.46Å; C248-F258 HydrophobicContact CB-CD1 4.03Å; C248-F258 HydrophobicContact CB-CD2 4.22Å; C248-F258 HydrophobicContact CB-CE1 3.86Å; C248-F258 HydrophobicContact CB-CE2 3.97Å; C248-F258 HydrophobicContact CB-CG 4.28Å; C248-F258 HydrophobicContact CB-CZ 3.84Å; C248-F258 WeakPolarHBondContact CB-O 3.36Å; C248-F258 PolarHBondContact N-O 3.27Å; C248-F258 PolarHBondContact O-N 3.22Å; C248-F258 WeakPolarHBondContact SG-CE1 3.17Å; C248-F258 WeakPolarHBondContact SG-CZ 3.43Å; V250-F258 HydrophobicContact CG2-CD1 4.02Å; V250-F258 HydrophobicContact CG2-CE1 3.74Å; F258-H266 AromaticContact CE2-CE1 3.41Å; F258-H266 VanDerWaalsContact CE2-CE1 3.41Å; F258-H266 WeakPolarHBondContact CE2-CE1 3.45Å; F258-H266 AromaticContact CE2-NE2 3.59Å; F258-R268 VanDerWaalsContact CD1-NH2 3.32Å; F258-R268 HydrophobicContact CD2-CB 4.44Å; F258-R268 HydrophobicContact CE1-CB 4.48Å; F258-R268 VanDerWaalsContact CE1-NH2 3.26Å; F258-R268 HydrophobicContact CE2-CB 3.96Å; F258-R268 VanDerWaalsContact CG-NH1 3.32Å; F258-R268 HydrophobicContact CZ-CB 3.93Å; F258-D271 HydrophobicContact CE1-CB 4Å; F258-D271 HydrophobicContact CZ-CB 4.19Å; F258-W272 HydrophobicContact CZ-CB 4.14Å |
| 259 | C | 95.5 | Very high | 90.7 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.007 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 138.9 | 171.9 | -169.5 | 0 | 0 | 0 | 0 | 110.8 | C226 I227 F229 C235 W247 | C226-C259 WeakPolarHBondContact O-CB 3.3Å; C226-C259 PolarHBondContact O-SG 2.97Å; I227-C259 WeakPolarHBondContact CA-O 3.37Å; I227-C259 WeakPolarHBondContact CD1-O 3.28Å; F229-C259 HydrophobicContact CB-CB 4.2Å; F229-C259 VanDerWaalsContact O-CB 3.26Å; F229-C259 WeakPolarHBondContact O-CB 3.02Å; C235-C259 VanDerWaalsContact CA-SG 3.57Å; C235-C259 HydrophobicContact CB-CB 3.54Å; C235-C259 WeakPolarHBondContact CB-SG 2.95Å; C235-C259 WeakPolarHBondContact SG-CA 3.33Å; C235-C259 WeakPolarHBondContact SG-CB 3.24Å; C235-C259 CovalentContact SG-SG 2.02Å; C235-C259 PolarHBondContact SG-SG 3.5Å; W247-C259 HydrophobicContact CE3-CB 3.88Å; W247-C259 HydrophobicContact CZ3-CB 3.89Å |
| 260 | S | 95.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 156.7 | -177.5 | -170 | 0 | 0 | 0 | 0 | 110.3 | C245 S246 H266 W272 | C245-S260 CarbonylContact C-O 3.25Å; C245-S260 WeakPolarHBondContact CA-O 3.25Å; S246-S260 PolarHBondContact N-O 3.19Å; S246-S260 PolarHBondContact O-N 3.14Å; S246-S260 VanDerWaalsContact O-O 3.12Å; S260-H266 WeakPolarHBondContact CB-NE2 3.17Å; S260-H266 PolarHBondContact OG-CD2 3.29Å; S260-H266 PolarHBondContact OG-NE2 3.45Å; S260-W272 PolarHBondContact OG-NE1 3.09Å |
| 261 | D | 92.6 | Very high | 91.1 | Very high | 18 Ų | 18 | 54 Ų | 54 | 10% | 0.096 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 163.6 | 167.7 | 71.9 | 98.2 | 0 | 0 | 0 | 110.9 | F243 N244 A263 G264 | F243-D261 HydrophobicContact CB-CB 4.26Å; F243-D261 HydrophobicContact CD1-CB 3.92Å; N244-D261 WeakPolarHBondContact O-CA 3.36Å; D261-A263 PolarHBondContact O-N 3.34Å; D261-A263 VanDerWaalsContact O-N 3.16Å; D261-A263 VanDerWaalsContact OD1-CA 3.3Å; D261-A263 WeakPolarHBondContact OD1-CA 3.37Å; D261-A263 WeakPolarHBondContact OD1-CB 3.3Å; D261-A263 PolarHBondContact OD1-N 2.93Å; D261-G264 WeakPolarHBondContact O-CA 3.48Å; D261-G264 PolarHBondContact O-N 2.71Å; D261-G264 PolarHBondContact OD1-N 2.92Å; D261-G264 VanDerWaalsContact OD1-N 3.15Å |
| 262 | E | 89.3 | Confident | 91.5 | Very high | 120 Ų | 120 | 52.6 Ų | 52.6 | 56% | 0.561 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -28.6 | 179 | -67.4 | -177.2 | -177.7 | 0 | 0 | 114.6 | N244 W272 | N244-E262 HydrophobicContact CB-CG 4.22Å; N244-E262 PolarHBondContact ND2-OE1 3.06Å; N244-E262 PolarHBondContact O-N 2.82Å; E262-W272 VanDerWaalsContact O-CZ2 3.23Å; E262-W272 WeakPolarHBondContact O-CZ2 3.4Å |
| 263 | A | 91.5 | Very high | 91.8 | Very high | 49 Ų | 49 | 46.8 Ų | 46.8 | 41% | 0.405 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -23.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | D261 L265 R269 | D261-A263 PolarHBondContact O-N 3.34Å; D261-A263 VanDerWaalsContact O-N 3.16Å; D261-A263 VanDerWaalsContact OD1-CA 3.3Å; D261-A263 WeakPolarHBondContact OD1-CA 3.37Å; D261-A263 WeakPolarHBondContact OD1-CB 3.3Å; D261-A263 PolarHBondContact OD1-N 2.93Å; A263-L265 VanDerWaalsContact C-N 3.32Å; A263-L265 HydrophobicContact CB-CD1 4.13Å; A263-L265 HydrophobicContact CB-CG 4Å; A263-L265 PolarHBondContact O-N 2.95Å; A263-R269 PolarHBondContact O-NH1 2.9Å |
| 264 | G | 93.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | 59.8 | 36.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | D261 H266 R269 | D261-G264 WeakPolarHBondContact O-CA 3.48Å; D261-G264 PolarHBondContact O-N 2.71Å; D261-G264 PolarHBondContact OD1-N 2.92Å; D261-G264 VanDerWaalsContact OD1-N 3.15Å; G264-H266 PolarHBondContact O-N 2.87Å; G264-R269 WeakPolarHBondContact O-CD 3.31Å; G264-R269 PolarHBondContact O-NH1 2.9Å | ||
| 265 | L | 93.4 | Very high | 92.5 | Very high | 60 Ų | 60 | 40.4 Ų | 40.4 | 31% | 0.314 | 22% | 0.219 | S | C | . | . | trans | -94.9 | 75.2 | -173.4 | -67.1 | 178.9 | 0 | 0 | 0 | 111.3 | Y7 Y180 Y202 A263 | Y7-L265 PolarHBondContact OH-O 3.02Å; Y180-L265 HydrophobicContact CE1-CD2 4.3Å; Y202-L265 HydrophobicContact CD2-CB 4.34Å; Y202-L265 VanDerWaalsContact CD2-O 3.24Å; Y202-L265 WeakPolarHBondContact CD2-O 3.36Å; Y202-L265 VanDerWaalsContact CE2-O 3.24Å; Y202-L265 WeakPolarHBondContact CE2-O 3.37Å; A263-L265 VanDerWaalsContact C-N 3.32Å; A263-L265 HydrophobicContact CB-CD1 4.13Å; A263-L265 HydrophobicContact CB-CG 4Å; A263-L265 PolarHBondContact O-N 2.95Å | ||
| 266 | H | 94.4 | Very high | 92.7 | Very high | 7 Ų | 7 | 40.5 Ų | 40.5 | 3% | 0.032 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -152.8 | 177.2 | -179.2 | 58.1 | 43.9 | 0 | 0 | 0 | 110.5 | Y180 F258 S260 G264 R268 R269 | Y180-H266 WeakPolarHBondContact CB-O 3.4Å; F258-H266 AromaticContact CE2-CE1 3.41Å; F258-H266 VanDerWaalsContact CE2-CE1 3.41Å; F258-H266 WeakPolarHBondContact CE2-CE1 3.45Å; F258-H266 AromaticContact CE2-NE2 3.59Å; S260-H266 WeakPolarHBondContact CB-NE2 3.17Å; S260-H266 PolarHBondContact OG-CD2 3.29Å; S260-H266 PolarHBondContact OG-NE2 3.45Å; G264-H266 PolarHBondContact O-N 2.87Å; H266-R268 PolarHBondContact ND1-N 2.93Å; H266-R268 VanDerWaalsContact ND1-N 3.2Å; H266-R268 PolarHBondContact O-N 3.03Å; H266-R269 WeakPolarHBondContact O-CB 3.36Å; H266-R269 PolarHBondContact O-N 3.21Å |
| 267 | R | 94.5 | Very high | 92.7 | Very high | 23 Ų | 23 | 37.7 Ų | 37.7 | 9% | 0.087 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -28.4 | -172.8 | -61.8 | 179.8 | 179.9 | -167.9 | -5.5 | 114.4 | H67 V82 D178 R269 | H67-R267 PolarHBondContact NE2-N 3.43Å; V82-R267 PolarHBondContact O-NH1 2.79Å; V82-R267 PolarHBondContact O-NH2 2.73Å; D178-R267 IonicContact OD1-CZ 2.66Å; D178-R267 IonicContact OD1-NE 3.96Å; D178-R267 PolarHBondContact OD1-NE 3.02Å; D178-R267 IonicContact OD1-NH2 3.93Å; D178-R267 PolarHBondContact OD1-NH2 2.99Å; D178-R267 IonicContact OD2-NE 3.68Å; D178-R267 PolarHBondContact OD2-NE 3.1Å; D178-R267 IonicContact OD2-NH2 2.81Å; R267-R269 PolarHBondContact O-N 3.33Å |
| 268 | R | 94 | Very high | 92.3 | Very high | 42 Ų | 42 | 43.7 Ų | 43.7 | 16% | 0.158 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 23 | 174.1 | -63.3 | -159.5 | 63.2 | -170.1 | -7.7 | 115.7 | S256 F258 H266 Q270 D271 W272 | S256-R268 VanDerWaalsContact O-CZ 3.23Å; S256-R268 PolarHBondContact O-NH1 3.15Å; S256-R268 PolarHBondContact O-NH2 2.85Å; S256-R268 PolarHBondContact OG-NH1 3.36Å; F258-R268 VanDerWaalsContact CD1-NH2 3.32Å; F258-R268 HydrophobicContact CD2-CB 4.44Å; F258-R268 HydrophobicContact CE1-CB 4.48Å; F258-R268 VanDerWaalsContact CE1-NH2 3.26Å; F258-R268 HydrophobicContact CE2-CB 3.96Å; F258-R268 VanDerWaalsContact CG-NH1 3.32Å; F258-R268 HydrophobicContact CZ-CB 3.93Å; H266-R268 PolarHBondContact ND1-N 2.93Å; H266-R268 VanDerWaalsContact ND1-N 3.2Å; H266-R268 PolarHBondContact O-N 3.03Å; R268-Q270 VanDerWaalsContact C-N 3.26Å; R268-Q270 PolarHBondContact O-N 3.08Å; R268-D271 IonicContact CZ-OD2 3.89Å; R268-D271 IonicContact NE-OD2 3.94Å; R268-D271 PolarHBondContact NE-OD2 3.33Å; R268-D271 IonicContact NH2-OD2 3Å; R268-D271 PolarHBondContact NH2-OD2 2.69Å; R268-D271 PolarHBondContact O-N 3.39Å; R268-W272 PolarHBondContact O-N 3.27Å |
| 269 | R | 94.4 | Very high | 91.2 | Very high | 39 Ų | 39 | 48 Ų | 48 | 15% | 0.147 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -54.7 | -41.1 | -179.1 | -179.3 | 65.6 | 178.7 | 171.6 | -7.2 | 113 | Y180 A263 G264 H266 R267 W272 L273 | Y180-R269 HydrophobicContact CD1-CB 4.05Å; Y180-R269 HydrophobicContact CD1-CG 4.38Å; Y180-R269 HydrophobicContact CD2-CB 3.59Å; Y180-R269 HydrophobicContact CD2-CG 3.82Å; Y180-R269 HydrophobicContact CE1-CB 4.33Å; Y180-R269 HydrophobicContact CE1-CG 4.15Å; Y180-R269 HydrophobicContact CE2-CB 3.93Å; Y180-R269 HydrophobicContact CE2-CG 3.59Å; Y180-R269 HydrophobicContact CG-CB 3.68Å; Y180-R269 HydrophobicContact CG-CG 4.24Å; A263-R269 PolarHBondContact O-NH1 2.9Å; G264-R269 WeakPolarHBondContact O-CD 3.31Å; G264-R269 PolarHBondContact O-NH1 2.9Å; H266-R269 WeakPolarHBondContact O-CB 3.36Å; H266-R269 PolarHBondContact O-N 3.21Å; R267-R269 PolarHBondContact O-N 3.33Å; R269-W272 PolarHBondContact O-N 2.76Å; R269-L273 HydrophobicContact CG-CD1 4.11Å; R269-L273 WeakPolarHBondContact O-CG 3.39Å; R269-L273 PolarHBondContact O-N 3.05Å |
| 270 | Q | 92.1 | Very high | 89.6 | Confident | 69 Ų | 69 | 52.8 Ų | 52.8 | 32% | 0.322 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.7 | -47.1 | -179 | -175.6 | 64.6 | 42.8 | 0 | 0 | 111.4 | R268 L273 L274 | R268-Q270 VanDerWaalsContact C-N 3.26Å; R268-Q270 PolarHBondContact O-N 3.08Å; Q270-L273 PolarHBondContact O-N 2.71Å; Q270-L274 WeakPolarHBondContact O-CB 3.33Å; Q270-L274 PolarHBondContact O-N 2.87Å |
| 271 | D | 92.5 | Very high | 88 | Confident | 43 Ų | 43 | 56 Ų | 56 | 23% | 0.23 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.9 | -43.9 | 177.3 | -62.5 | -25 | 0 | 0 | 0 | 110.9 | F258 R268 L273 L274 Y275 | F258-D271 HydrophobicContact CE1-CB 4Å; F258-D271 HydrophobicContact CZ-CB 4.19Å; R268-D271 IonicContact CZ-OD2 3.89Å; R268-D271 IonicContact NE-OD2 3.94Å; R268-D271 PolarHBondContact NE-OD2 3.33Å; R268-D271 IonicContact NH2-OD2 3Å; R268-D271 PolarHBondContact NH2-OD2 2.69Å; R268-D271 PolarHBondContact O-N 3.39Å; D271-L273 PolarHBondContact O-N 3.44Å; D271-L274 PolarHBondContact O-N 2.87Å; D271-L274 VanDerWaalsContact O-N 3.11Å; D271-Y275 HydrophobicContact CB-CD2 4.14Å; D271-Y275 HydrophobicContact CB-CE2 4.29Å; D271-Y275 WeakPolarHBondContact O-CD2 3.28Å; D271-Y275 PolarHBondContact O-N 3Å |
| 272 | W | 93.8 | Very high | 86.1 | Confident | 10 Ų | 10 | 61 Ų | 61 | 4% | 0.038 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -55.6 | -40.7 | 178.3 | -173.6 | 97.5 | 0 | 0 | 0 | 112.2 | F258 S260 E262 R268 R269 G276 C277 K278 | F258-W272 HydrophobicContact CZ-CB 4.14Å; S260-W272 PolarHBondContact OG-NE1 3.09Å; E262-W272 VanDerWaalsContact O-CZ2 3.23Å; E262-W272 WeakPolarHBondContact O-CZ2 3.4Å; R268-W272 PolarHBondContact O-N 3.27Å; R269-W272 PolarHBondContact O-N 2.76Å; W272-G276 PolarHBondContact O-N 3.02Å; W272-C277 HydrophobicContact CD2-CB 4.25Å; W272-C277 HydrophobicContact CG-CB 3.89Å; W272-C277 PolarHBondContact O-N 3.26Å; W272-K278 HydrophobicContact CH2-CB 3.38Å; W272-K278 HydrophobicContact CH2-CD 3.97Å; W272-K278 HydrophobicContact CH2-CG 3.65Å; W272-K278 HydrophobicContact CZ2-CB 3.69Å; W272-K278 HydrophobicContact CZ2-CG 4.06Å; W272-K278 HydrophobicContact CZ3-CB 4.09Å |
| 273 | L | 92.6 | Very high | 84.4 | Confident | 68 Ų | 68 | 61.1 Ų | 61.1 | 36% | 0.356 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -71.8 | -45.2 | 175.2 | -69.3 | 170.8 | 0 | 0 | 0 | 112 | I182 R269 Q270 D271 Y275 G276 | I182-L273 HydrophobicContact CD1-CD1 4.42Å; R269-L273 HydrophobicContact CG-CD1 4.11Å; R269-L273 WeakPolarHBondContact O-CG 3.39Å; R269-L273 PolarHBondContact O-N 3.05Å; Q270-L273 PolarHBondContact O-N 2.71Å; D271-L273 PolarHBondContact O-N 3.44Å; L273-Y275 VanDerWaalsContact C-N 3.33Å; L273-Y275 PolarHBondContact O-N 3.07Å; L273-G276 PolarHBondContact O-N 3.23Å |
| 274 | L | 90.5 | Very high | 82.9 | Confident | 94 Ų | 94 | 63.3 Ų | 63.3 | 49% | 0.492 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.8 | -37 | -176.1 | -177.5 | 63 | 0 | 0 | 0 | 112.6 | Q270 D271 | Q270-L274 WeakPolarHBondContact O-CB 3.33Å; Q270-L274 PolarHBondContact O-N 2.87Å; D271-L274 PolarHBondContact O-N 2.87Å; D271-L274 VanDerWaalsContact O-N 3.11Å |
| 275 | Y | 89.8 | Confident | 81.6 | Confident | 54 Ų | 54 | 73 Ų | 73 | 21% | 0.212 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 10.3 | -177.5 | -62.5 | -69.7 | 0 | 0 | 0 | 113.8 | V250 P251 R254 D271 L273 C277 | V250-Y275 HydrophobicContact CB-CD2 4.29Å; V250-Y275 HydrophobicContact CB-CE2 4.34Å; V250-Y275 HydrophobicContact CG1-CD2 4Å; V250-Y275 HydrophobicContact CG1-CE1 4.42Å; V250-Y275 HydrophobicContact CG1-CE2 3.55Å; V250-Y275 HydrophobicContact CG2-CD2 3.58Å; V250-Y275 HydrophobicContact CG2-CE2 4.01Å; V250-Y275 HydrophobicContact CG2-CG 4.09Å; P251-Y275 HydrophobicContact CG-CE1 4.44Å; R254-Y275 WeakPolarHBondContact CB-OH 3.41Å; R254-Y275 WeakPolarHBondContact CD-OH 3.4Å; D271-Y275 HydrophobicContact CB-CD2 4.14Å; D271-Y275 HydrophobicContact CB-CE2 4.29Å; D271-Y275 WeakPolarHBondContact O-CD2 3.28Å; D271-Y275 PolarHBondContact O-N 3Å; L273-Y275 VanDerWaalsContact C-N 3.33Å; L273-Y275 PolarHBondContact O-N 3.07Å; Y275-C277 VanDerWaalsContact C-N 3.3Å; Y275-C277 PolarHBondContact O-N 2.01Å |
| 276 | G | 88.3 | Confident | 80.6 | Confident | 33 Ų | 33 | 73 Ų | 73 | 34% | 0.34 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | 31.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | W272 L273 K278 T279 | W272-G276 PolarHBondContact O-N 3.02Å; L273-G276 PolarHBondContact O-N 3.23Å; G276-K278 PolarHBondContact O-N 3.23Å; G276-T279 PolarHBondContact O-N 2.91Å; G276-T279 PolarHBondContact O-OG1 2.96Å |
| 277 | C | 90 | Very high | 79 | Confident | 16 Ų | 16 | 74.8 Ų | 74.8 | 11% | 0.108 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -0.7 | -172.2 | -64.9 | 0 | 0 | 0 | 0 | 114.7 | C248 W272 Y275 | C248-C277 VanDerWaalsContact CA-SG 3.52Å; C248-C277 HydrophobicContact CB-CB 3.65Å; C248-C277 WeakPolarHBondContact CB-SG 3.49Å; C248-C277 WeakPolarHBondContact SG-CB 3.33Å; C248-C277 CovalentContact SG-SG 2.01Å; C248-C277 PolarHBondContact SG-SG 2.95Å; W272-C277 HydrophobicContact CD2-CB 4.25Å; W272-C277 HydrophobicContact CG-CB 3.89Å; W272-C277 PolarHBondContact O-N 3.26Å; Y275-C277 VanDerWaalsContact C-N 3.3Å; Y275-C277 PolarHBondContact O-N 2.01Å |
| 278 | K | 85.1 | Confident | 77.2 | Confident | 161 Ų | 161 | 79.9 Ų | 79.9 | 70% | 0.7 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -33.3 | 168 | -162.2 | 178 | 177.8 | -179.7 | 0 | 113.1 | W272 G276 | W272-K278 HydrophobicContact CH2-CB 3.38Å; W272-K278 HydrophobicContact CH2-CD 3.97Å; W272-K278 HydrophobicContact CH2-CG 3.65Å; W272-K278 HydrophobicContact CZ2-CB 3.69Å; W272-K278 HydrophobicContact CZ2-CG 4.06Å; W272-K278 HydrophobicContact CZ3-CB 4.09Å; G276-K278 PolarHBondContact O-N 3.23Å |
| 279 | T | 72.3 | Confident | 75.3 | Confident | 102 Ų | 102 | 82.2 Ų | 82.2 | 63% | 0.626 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -85.1 | 124.4 | -176.6 | 50.5 | 0 | 0 | 0 | 0 | 108.8 | G276 N281 | G276-T279 PolarHBondContact O-N 2.91Å; G276-T279 PolarHBondContact O-OG1 2.96Å; T279-N281 PolarHBondContact O-N 2.63Å |
| 280 | P | 62.8 | Low | 72.9 | Confident | 100 Ų | 100 | 87.3 Ų | 87.3 | 65% | 0.649 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 116.8 | 170.9 | -17.9 | 29 | 0 | 0 | 0 | 108.2 | P282 F284 | P280-P282 WeakPolarHBondContact O-CD 3.4Å; P280-F284 HydrophobicContact CB-CD2 4.23Å; P280-F284 HydrophobicContact CB-CE2 4.16Å |
| 281 | N | 59.9 | Low | 70.5 | Confident | 69 Ų | 69 | 90.4 Ų | 90.4 | 37% | 0.369 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 128.2 | 170.6 | -173.9 | 1.5 | 0 | 0 | 0 | 107.2 | T279 D283 F284 | T279-N281 PolarHBondContact O-N 2.63Å; N281-D283 PolarHBondContact O-N 2.9Å; N281-D283 VanDerWaalsContact O-N 3.12Å; N281-D283 PolarHBondContact OD1-N 3.15Å; N281-F284 WeakPolarHBondContact O-CA 3.08Å; N281-F284 WeakPolarHBondContact O-CB 3.28Å; N281-F284 PolarHBondContact O-N 2.96Å |
| 282 | P | 53.6 | Low | 68.2 | Low | 121 Ų | 121 | 94.4 Ų | 94.4 | 79% | 0.786 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -54.8 | -26.1 | 173.6 | 18.2 | -31.3 | 0 | 0 | 0 | 113.1 | P280 F284 | P280-P282 WeakPolarHBondContact O-CD 3.4Å; P282-F284 PolarHBondContact O-N 3.2Å; P282-F284 VanDerWaalsContact O-N 3.07Å |
| 283 | D | 54.8 | Low | 65.7 | Low | 123 Ų | 123 | 103 Ų | 103 | 66% | 0.658 | 56% | 0.562 | S | S | * | * | trans | -82.7 | 48.6 | 168.2 | -62.2 | -31.8 | 0 | 0 | 0 | 111.4 | N281 Y285 | N281-D283 PolarHBondContact O-N 2.9Å; N281-D283 VanDerWaalsContact O-N 3.12Å; N281-D283 PolarHBondContact OD1-N 3.15Å; D283-Y285 PolarHBondContact O-N 3.16Å | ||
| 284 | F | 59.6 | Low | 63.2 | Low | 95 Ų | 95 | 105.4 Ų | 105.4 | 42% | 0.417 | 57% | 0.574 | S | S | . | * | trans | -64.6 | 1.6 | -174 | -150.5 | -114.5 | 0 | 0 | 0 | 114.1 | M236 P280 N281 P282 | M236-F284 HydrophobicContact CE-CD1 3.18Å; M236-F284 HydrophobicContact CE-CD2 4.39Å; M236-F284 HydrophobicContact CE-CE1 3.03Å; M236-F284 HydrophobicContact CE-CE2 4.26Å; M236-F284 HydrophobicContact CE-CG 3.9Å; M236-F284 HydrophobicContact CE-CZ 3.62Å; M236-F284 WeakPolarHBondContact CE-O 3.47Å; M236-F284 HydrophobicContact SD-CE1 4.21Å; M236-F284 HydrophobicContact SD-CZ 4.3Å; P280-F284 HydrophobicContact CB-CD2 4.23Å; P280-F284 HydrophobicContact CB-CE2 4.16Å; N281-F284 WeakPolarHBondContact O-CA 3.08Å; N281-F284 WeakPolarHBondContact O-CB 3.28Å; N281-F284 PolarHBondContact O-N 2.96Å; P282-F284 PolarHBondContact O-N 3.2Å; P282-F284 VanDerWaalsContact O-N 3.07Å | ||
| 285 | Y | 64.8 | Low | 61 | Low | 204 Ų | 204 | 107.7 Ų | 107.7 | 80% | 0.8 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -89.4 | 146.1 | 177.3 | -64.9 | -81.5 | 0 | 0 | 0 | 109.8 | D283 G287 | D283-Y285 PolarHBondContact O-N 3.16Å; Y285-G287 PolarHBondContact O-N 3.01Å |
| 286 | C | 73.2 | Confident | 58.7 | Low | 61 Ų | 61 | 109.7 Ų | 109.7 | 41% | 0.412 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -67.8 | 52.6 | 175 | -56.8 | 0 | 0 | 0 | 0 | 112.6 | C232 | C232-C286 HydrophobicContact CB-CB 3.68Å; C232-C286 WeakPolarHBondContact CB-SG 3.36Å; C232-C286 PolarHBondContact O-SG 3.35Å; C232-C286 WeakPolarHBondContact SG-CA 3.42Å; C232-C286 WeakPolarHBondContact SG-CB 3.08Å; C232-C286 CovalentContact SG-SG 2.04Å; C232-C286 PolarHBondContact SG-SG 3.25Å |
| 287 | G | 61.2 | Low | 56.5 | Low | 44 Ų | 44 | 116.7 Ų | 116.7 | 45% | 0.454 | 63% | 0.628 | S | S | . | * | trans | -89.9 | 160.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y285 I289 | Y285-G287 PolarHBondContact O-N 3.01Å; G287-I289 PolarHBondContact O-N 2.92Å | ||
| 288 | P | 55.6 | Low | 54 | Low | 130 Ų | 130 | 123 Ų | 123 | 84% | 0.844 | 66% | 0.656 | S | S | * | * | trans | -61.2 | 124 | 172.7 | 24.4 | -30.7 | 0 | 0 | 0 | 109.8 | N290 | P288-N290 PolarHBondContact O-N 3.13Å; P288-N290 VanDerWaalsContact O-N 3.09Å | ||
| 289 | I | 53.6 | Low | 51.9 | Low | 91 Ų | 91 | 120 Ų | 120 | 47% | 0.467 | 65% | 0.646 | S | S | . | * | trans | -64.8 | 110.7 | 179 | -56 | 165.6 | 0 | 0 | 0 | 108.2 | N249 G287 N291 | N249-I289 HydrophobicContact CB-CD1 3.74Å; N249-I289 WeakPolarHBondContact OD1-CD1 3.45Å; G287-I289 PolarHBondContact O-N 2.92Å; I289-N291 PolarHBondContact O-N 3.25Å | ||
| 290 | N | 45.3 | Very low | 50.4 | Low | 146 Ų | 146 | 122.9 Ų | 122.9 | 78% | 0.781 | 65% | 0.653 | S | S | * | * | trans | -72.4 | 113.9 | 159.7 | -89.2 | -21.4 | 0 | 0 | 0 | 107.4 | P288 T292 | P288-N290 PolarHBondContact O-N 3.13Å; P288-N290 VanDerWaalsContact O-N 3.09Å; N290-T292 PolarHBondContact O-N 2.98Å | ||
| 291 | N | 42.1 | Very low | 49.1 | Very low | 133 Ų | 133 | 121.8 Ų | 121.8 | 71% | 0.711 | 65% | 0.646 | S | S | * | * | trans | -53.5 | 95.1 | 175.5 | -75 | -20.6 | 0 | 0 | 0 | 110.4 | I289 | I289-N291 PolarHBondContact O-N 3.25Š| ||
| 292 | T | 43.3 | Very low | 48 | Very low | 127 Ų | 127 | 121.9 Ų | 121.9 | 78% | 0.779 | 66% | 0.656 | S | S | * | * | trans | -152.2 | 124.9 | 170.9 | -24.2 | 0 | 0 | 0 | 0 | 112.6 | N290 | N290-T292 PolarHBondContact O-N 2.98Š| ||
| 293 | K | 42.2 | Very low | 47.3 | Very low | 192 Ų | 192 | 121.6 Ų | 121.6 | 84% | 0.835 | 65% | 0.652 | S | S | * | * | trans | 75.2 | 79.8 | 173.3 | -85.2 | -178.8 | 171 | 179.6 | 0 | 118 | L295 | K293-L295 PolarHBondContact O-N 3.05Å; K293-L295 VanDerWaalsContact O-N 3.14Å | ||
| 294 | L | 40.1 | Very low | 46.4 | Very low | 118 Ų | 118 | 122.5 Ų | 122.5 | 62% | 0.618 | 65% | 0.652 | S | S | * | * | trans | -41 | 107.3 | 148.4 | -149.4 | 83.9 | 0 | 0 | 0 | 111.3 | T296 | L294-T296 HydrophobicContact CD2-CG2 4.44Å; L294-T296 WeakPolarHBondContact CD2-OG1 2.97Å; L294-T296 WeakPolarHBondContact CG-OG1 3.23Å; L294-T296 PolarHBondContact O-N 3.05Å | ||
| 295 | L | 44 | Very low | 45.2 | Very low | 142 Ų | 142 | 122 Ų | 122 | 74% | 0.743 | 67% | 0.665 | S | S | * | * | trans | -73.6 | 73 | 164.9 | -102 | 120.1 | 0 | 0 | 0 | 108.9 | K293 | K293-L295 PolarHBondContact O-N 3.05Å; K293-L295 VanDerWaalsContact O-N 3.14Å | ||
| 296 | T | 41.9 | Very low | 43.9 | Very low | 96 Ų | 96 | 116.8 Ų | 116.8 | 59% | 0.589 | 67% | 0.665 | S | S | * | * | trans | -96.2 | -3 | 176.2 | -58.6 | 0 | 0 | 0 | 0 | 113.3 | L294 | L294-T296 HydrophobicContact CD2-CG2 4.44Å; L294-T296 WeakPolarHBondContact CD2-OG1 2.97Å; L294-T296 WeakPolarHBondContact CG-OG1 3.23Å; L294-T296 PolarHBondContact O-N 3.05Å | ||
| 297 | E | 40.3 | Very low | 42.2 | Very low | 180 Ų | 180 | 117.8 Ų | 117.8 | 84% | 0.841 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -102.5 | 2.7 | -174.8 | -92.6 | -178.2 | 136.1 | 0 | 0 | 116.3 | ||
| 298 | H | 38.6 | Very low | 41 | Very low | 149 Ų | 149 | 120.1 Ų | 120.1 | 69% | 0.69 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -124.8 | 7.6 | -173.9 | -89.1 | 1.4 | 0 | 0 | 0 | 118.1 | ||
| 299 | L | 40.6 | Very low | 39.9 | Very low | 96 Ų | 96 | 117.3 Ų | 117.3 | 50% | 0.503 | 69% | 0.687 | S | S | . | * | S | Bend | trans | -101.8 | -2.6 | 175.9 | -93.2 | 108.5 | 0 | 0 | 0 | 116.1 | ||
| 300 | Q | 40.7 | Very low | 38.8 | Very low | 164 Ų | 164 | 116.1 Ų | 116.1 | 77% | 0.766 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -24.1 | 174 | -73.3 | 180 | -13.4 | 0 | 0 | 115.2 | ||
| 301 | P | 34.8 | Very low | 38.1 | Very low | 77 Ų | 77 | 117.3 Ų | 117.3 | 50% | 0.5 | 70% | 0.702 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.5 | -22.9 | 176.7 | -8.4 | 26.4 | 0 | 0 | 0 | 115 | V303 Q304 A305 | P301-V303 VanDerWaalsContact C-N 3.34Å; P301-V303 PolarHBondContact O-N 3.46Å; P301-Q304 PolarHBondContact O-N 2.93Å; P301-A305 PolarHBondContact O-N 3.46Å |
| 302 | A | 36.7 | Very low | 37.5 | Very low | 71 Ų | 71 | 117.2 Ų | 117.2 | 59% | 0.587 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -21.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 303 | V | 40.3 | Very low | 36.9 | Very low | 115 Ų | 115 | 118.3 Ų | 118.3 | 70% | 0.697 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -19.5 | 175 | -173.2 | 0 | 0 | 0 | 0 | 111.5 | P301 | P301-V303 VanDerWaalsContact C-N 3.34Å; P301-V303 PolarHBondContact O-N 3.46Å |
| 304 | Q | 34.8 | Very low | 36.3 | Very low | 142 Ų | 142 | 117.7 Ų | 117.7 | 66% | 0.664 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -25 | -178 | -68.3 | 176.6 | -16.5 | 0 | 0 | 113.3 | P301 A306 A307 | P301-Q304 PolarHBondContact O-N 2.93Å; Q304-A306 PolarHBondContact O-N 2.91Å; Q304-A307 PolarHBondContact O-N 3.36Å |
| 305 | A | 34.8 | Very low | 35.9 | Very low | 84 Ų | 84 | 118.5 Ų | 118.5 | 69% | 0.694 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -19.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | P301 | P301-A305 PolarHBondContact O-N 3.46Š|
| 306 | A | 37.9 | Very low | 35.2 | Very low | 95 Ų | 95 | 117 Ų | 117 | 79% | 0.785 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -9.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q304 | Q304-A306 PolarHBondContact O-N 2.91Š|
| 307 | A | 37 | Very low | 34.8 | Very low | 81 Ų | 81 | 120.8 Ų | 120.8 | 67% | 0.669 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -99 | 1.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q304 | Q304-A307 PolarHBondContact O-N 3.36Š|
| 308 | A | 36.9 | Very low | 34.7 | Very low | 93 Ų | 93 | 121 Ų | 121 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | trans | -89.9 | 7.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 309 | G | 32.7 | Very low | 34.4 | Very low | 72 Ų | 72 | 120.5 Ų | 120.5 | 74% | 0.742 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -97.3 | 94.3 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 310 | G | 29.7 | Very low | 34 | Very low | 65 Ų | 65 | 122.6 Ų | 122.6 | 67% | 0.67 | 75% | 0.751 | S | S | * | * | trans | -65.8 | 161 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 311 | L | 31.7 | Very low | 33.8 | Very low | 171 Ų | 171 | 124.5 Ų | 124.5 | 90% | 0.895 | 76% | 0.757 | S | S | * | * | -173.2 | 126.1 | 115.5 | -95.1 | 143.4 | 0 | 0 | 0 | 108.6 | |||||
| 312 | T | 29.4 | Very low | 33.7 | Very low | 131 Ų | 131 | 130.1 Ų | 130.1 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -46.4 | 127 | 164.8 | 43.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 313 | D | 29.2 | Very low | 33.5 | Very low | 151 Ų | 151 | 132.2 Ų | 132.2 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | trans | -146.1 | 127.2 | 141.8 | -150.3 | -1.1 | 0 | 0 | 0 | 111.2 | ||||
| 314 | Q | 30.2 | Very low | 33.1 | Very low | 179 Ų | 179 | 136 Ų | 136 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | -91.5 | 117.8 | 178.1 | -71.8 | 174.7 | -17.4 | 0 | 0 | 106.9 | ||||
| 315 | T | 32.3 | Very low | 33.2 | Very low | 134 Ų | 134 | 139 Ų | 139 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -145.9 | 105.4 | 154.7 | 33.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 316 | S | 29 | Very low | 33.1 | Very low | 112 Ų | 112 | 143.5 Ų | 143.5 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | trans | -74.7 | 134.8 | 161 | 48.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 317 | D | 33.1 | Very low | 32.9 | Very low | 174 Ų | 174 | 142.3 Ų | 142.3 | 93% | 0.93 | 81% | 0.814 | S | S | * | * | trans | -132.3 | 127.9 | 153.7 | -113.4 | -22.1 | 0 | 0 | 0 | 109.3 | ||||
| 318 | H | 38.1 | Very low | 32.6 | Very low | 184 Ų | 184 | 147.2 Ų | 147.2 | 85% | 0.852 | 82% | 0.823 | S | S | * | * | trans | -121.5 | 123.7 | -174.3 | -136.3 | -59.3 | 0 | 0 | 0 | 106.6 | ||||
| 319 | D | 32.8 | Very low | 32.3 | Very low | 140 Ų | 140 | 152.5 Ų | 152.5 | 75% | 0.749 | 83% | 0.829 | S | S | * | * | trans | -69.6 | 150.5 | 175.5 | -85.7 | -47.1 | 0 | 0 | 0 | 113.1 | ||||
| 320 | D | 32.8 | Very low | 32.2 | Very low | 140 Ų | 140 | 156.8 Ų | 156.8 | 75% | 0.749 | 83% | 0.827 | S | S | * | * | trans | 70.1 | 104.6 | 149.4 | -64.7 | -32.3 | 0 | 0 | 0 | 120.7 | ||||
| 321 | K | 36.2 | Very low | 32.2 | Very low | 203 Ų | 203 | 163.2 Ų | 163.2 | 88% | 0.883 | 84% | 0.837 | S | S | * | * | 174.7 | 126.9 | 103.6 | -97.3 | 173.5 | -178.7 | 172.3 | 0 | 114.2 | |||||
| 322 | E | 31.3 | Very low | 32.4 | Very low | 196 Ų | 196 | 160.1 Ų | 160.1 | 92% | 0.916 | 83% | 0.829 | S | S | * | * | trans | -22.9 | 122.9 | 153.1 | -167.3 | 174.8 | -159.1 | 0 | 0 | 116.9 | ||||
| 323 | S | 34 | Very low | 32.6 | Very low | 115 Ų | 115 | 159.3 Ų | 159.3 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | -171.9 | 120.5 | 137.7 | -179.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 324 | K | 32.1 | Very low | 32.7 | Very low | 195 Ų | 195 | 157 Ų | 157 | 85% | 0.848 | 82% | 0.821 | S | S | * | * | trans | -42.1 | 140.5 | 165.6 | -78.2 | 168.1 | 168.5 | 169 | 0 | 113.4 | ||||
| 325 | K | 35.9 | Very low | 32.9 | Very low | 205 Ų | 205 | 153 Ų | 153 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | -175.5 | 124.3 | 122.4 | -100.4 | 168.1 | -174.2 | 179.6 | 0 | 111.3 | |||||
| 326 | D | 33.9 | Very low | 33 | Very low | 177 Ų | 177 | 155.2 Ų | 155.2 | 95% | 0.947 | 81% | 0.814 | S | S | * | * | trans | -53.7 | 134.9 | 170.8 | -69.8 | -51.2 | 0 | 0 | 0 | 111.9 | ||||
| 327 | G | 33.3 | Very low | 33.5 | Very low | 71 Ų | 71 | 153.3 Ų | 153.3 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | trans | -158.9 | 67.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | F329 | G327-F329 PolarHBondContact O-N 3.41Š| ||
| 328 | Q | 30.2 | Very low | 34.2 | Very low | 184 Ų | 184 | 151.5 Ų | 151.5 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -31.6 | 113.9 | 165.2 | -171.3 | 177.9 | 75 | 0 | 0 | 112.9 | ||||
| 329 | F | 31.3 | Very low | 34.8 | Very low | 203 Ų | 203 | 146.7 Ų | 146.7 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | trans | -123.5 | 120.2 | 164.8 | -162.2 | -100.1 | 0 | 0 | 0 | 111.4 | G327 | G327-F329 PolarHBondContact O-N 3.41Š| ||
| 330 | K | 30.3 | Very low | 36.4 | Very low | 162 Ų | 162 | 144.8 Ų | 144.8 | 70% | 0.704 | 79% | 0.786 | S | S | * | * | trans | -66.5 | 131.5 | -171.1 | -75.7 | 166.6 | 168.7 | 170.6 | 0 | 111.6 | C332 | K330-C332 PolarHBondContact O-N 2.96Š| ||
| 331 | F | 28.6 | Very low | 38.3 | Very low | 201 Ų | 201 | 140 Ų | 140 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | trans | -70.9 | 109.9 | 156.9 | -147.2 | -95.9 | 0 | 0 | 0 | 107.3 | P333 | F331-P333 WeakPolarHBondContact O-CD 2.97Š| ||
| 332 | C | 36.5 | Very low | 40.3 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 72% | 0.716 | 75% | 0.748 | S | S | * | * | trans | -83.4 | 116.7 | 165.2 | -88.7 | 0 | 0 | 0 | 0 | 108 | K330 S334 | K330-C332 PolarHBondContact O-N 2.96Å; C332-S334 PolarHBondContact O-N 3.46Å | ||
| 333 | P | 33.7 | Very low | 42.7 | Very low | 114 Ų | 114 | 125.7 Ų | 125.7 | 74% | 0.74 | 72% | 0.721 | S | S | * | * | trans | -82.3 | 111.7 | 165.4 | 32.8 | -24.5 | 0 | 0 | 0 | 106.7 | F331 | F331-P333 WeakPolarHBondContact O-CD 2.97Š| ||
| 334 | S | 31.6 | Very low | 45.2 | Very low | 102 Ų | 102 | 124.6 Ų | 124.6 | 71% | 0.713 | 71% | 0.709 | S | S | * | * | trans | -124.8 | 95.7 | 161.1 | 54.4 | 0 | 0 | 0 | 0 | 107.8 | C332 | C332-S334 PolarHBondContact O-N 3.46Š| ||
| 335 | S | 33.7 | Very low | 47.7 | Very low | 94 Ų | 94 | 119.5 Ų | 119.5 | 66% | 0.657 | 70% | 0.697 | S | S | * | * | trans | -33.4 | 133.7 | 142.9 | 51.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 336 | H | 34.2 | Very low | 50.2 | Low | 181 Ų | 181 | 114.8 Ų | 114.8 | 84% | 0.838 | 68% | 0.681 | S | S | * | * | trans | 170.9 | 109.1 | 142 | -84.8 | -57.5 | 0 | 0 | 0 | 109 | ||||
| 337 | G | 39.3 | Very low | 52.9 | Low | 73 Ų | 73 | 110.9 Ų | 110.9 | 75% | 0.753 | 66% | 0.659 | S | S | * | * | trans | 64.8 | 114.5 | 157.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | S339 | G337-S339 PolarHBondContact O-N 2.97Š| ||
| 338 | L | 48.4 | Very low | 55.7 | Low | 136 Ų | 136 | 114.7 Ų | 114.7 | 71% | 0.712 | 66% | 0.656 | S | S | * | * | trans | -57.4 | 101.5 | 162.6 | -98.6 | 77.6 | 0 | 0 | 0 | 108.5 | V343 | L338-V343 HydrophobicContact CB-CG2 3.9Å; L338-V343 HydrophobicContact CD2-CB 4.4Å; L338-V343 HydrophobicContact CD2-CG2 3.5Å; L338-V343 VanDerWaalsContact CD2-CG2 3.5Å; L338-V343 HydrophobicContact CG-CG2 4.22Å | ||
| 339 | S | 51.1 | Low | 58.7 | Low | 82 Ų | 82 | 110.2 Ų | 110.2 | 57% | 0.573 | 64% | 0.641 | S | S | * | * | trans | -54 | 141.5 | 162.5 | 166.6 | 0 | 0 | 0 | 0 | 108.1 | G337 G341 G342 V343 | G337-S339 PolarHBondContact O-N 2.97Å; S339-G341 PolarHBondContact O-N 3.25Å; S339-G342 PolarHBondContact O-N 3.5Å; S339-V343 PolarHBondContact O-N 3.3Å | ||
| 340 | S | 66.6 | Low | 61.7 | Low | 101 Ų | 101 | 105.2 Ų | 105.2 | 71% | 0.706 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -51.1 | -28.8 | -179.2 | 59.5 | 0 | 0 | 0 | 0 | 112.6 | V344 | S340-V344 WeakPolarHBondContact O-CG2 3.36Å; S340-V344 PolarHBondContact O-N 3.09Å |
| 341 | G | 72.8 | Confident | 64.8 | Low | 40 Ų | 40 | 102.3 Ų | 102.3 | 41% | 0.412 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -69.4 | -33.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | S339 V344 C345 | S339-G341 PolarHBondContact O-N 3.25Å; G341-V344 PolarHBondContact O-N 3.45Å; G341-C345 PolarHBondContact O-N 2.88Å |
| 342 | G | 77.1 | Confident | 67.9 | Low | 39 Ų | 39 | 95.1 Ų | 95.1 | 40% | 0.402 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -69.5 | -37.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S339 V344 L346 | S339-G342 PolarHBondContact O-N 3.5Å; G342-V344 VanDerWaalsContact C-N 3.34Å; G342-L346 WeakPolarHBondContact O-CB 3.27Å; G342-L346 PolarHBondContact O-N 3.06Å; G342-L346 VanDerWaalsContact O-N 3.14Å |
| 343 | V | 82.1 | Confident | 70.7 | Confident | 58 Ų | 58 | 93.9 Ų | 93.9 | 35% | 0.352 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.2 | -43.6 | 174.8 | -174.8 | 0 | 0 | 0 | 0 | 110.5 | L338 S339 L346 L347 | L338-V343 HydrophobicContact CB-CG2 3.9Å; L338-V343 HydrophobicContact CD2-CB 4.4Å; L338-V343 HydrophobicContact CD2-CG2 3.5Å; L338-V343 VanDerWaalsContact CD2-CG2 3.5Å; L338-V343 HydrophobicContact CG-CG2 4.22Å; S339-V343 PolarHBondContact O-N 3.3Å; V343-L346 PolarHBondContact O-N 3.28Å; V343-L347 HydrophobicContact CG1-CD1 3.97Å; V343-L347 HydrophobicContact CG1-CG 4.36Å; V343-L347 WeakPolarHBondContact O-CB 3.4Å; V343-L347 WeakPolarHBondContact O-CG 2.97Å; V343-L347 PolarHBondContact O-N 3.38Å |
| 344 | V | 86.7 | Confident | 73.6 | Confident | 92 Ų | 92 | 91.4 Ų | 91.4 | 56% | 0.558 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.9 | -45 | -178.1 | 175.2 | 0 | 0 | 0 | 0 | 111.4 | S340 G341 G342 L346 L347 F348 | S340-V344 WeakPolarHBondContact O-CG2 3.36Å; S340-V344 PolarHBondContact O-N 3.09Å; G341-V344 PolarHBondContact O-N 3.45Å; G342-V344 VanDerWaalsContact C-N 3.34Å; V344-L346 VanDerWaalsContact C-N 3.33Å; V344-L346 PolarHBondContact O-N 3.12Å; V344-L347 PolarHBondContact O-N 3.44Å; V344-F348 WeakPolarHBondContact O-CB 3.26Å; V344-F348 PolarHBondContact O-N 3.33Å |
| 345 | C | 84.6 | Confident | 76.7 | Confident | 89 Ų | 89 | 90.4 Ų | 90.4 | 60% | 0.601 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.3 | -43.1 | 175.2 | -86 | 0 | 0 | 0 | 0 | 112.1 | G341 F348 V349 | G341-C345 PolarHBondContact O-N 2.88Å; C345-F348 PolarHBondContact O-N 3.22Å; C345-V349 WeakPolarHBondContact O-CG2 3.39Å; C345-V349 PolarHBondContact O-N 3.43Å |
| 346 | L | 87.3 | Confident | 79.6 | Confident | 106 Ų | 106 | 91 Ų | 91 | 56% | 0.555 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.8 | -39.6 | -177.6 | -149.8 | 148.5 | 0 | 0 | 0 | 111.3 | G342 V343 V344 V349 I350 | G342-L346 WeakPolarHBondContact O-CB 3.27Å; G342-L346 PolarHBondContact O-N 3.06Å; G342-L346 VanDerWaalsContact O-N 3.14Å; V343-L346 PolarHBondContact O-N 3.28Å; V344-L346 VanDerWaalsContact C-N 3.33Å; V344-L346 PolarHBondContact O-N 3.12Å; L346-V349 PolarHBondContact O-N 3.11Å; L346-I350 HydrophobicContact CD2-CD1 3.63Å; L346-I350 HydrophobicContact CD2-CG1 4.34Å; L346-I350 WeakPolarHBondContact O-CG1 3.42Å; L346-I350 PolarHBondContact O-N 3.25Å |
| 347 | L | 90.6 | Very high | 82.4 | Confident | 94 Ų | 94 | 86.8 Ų | 86.8 | 49% | 0.492 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 171.7 | -71.9 | 173.6 | 0 | 0 | 0 | 112.2 | V343 V344 V349 I350 I351 | V343-L347 HydrophobicContact CG1-CD1 3.97Å; V343-L347 HydrophobicContact CG1-CG 4.36Å; V343-L347 WeakPolarHBondContact O-CB 3.4Å; V343-L347 WeakPolarHBondContact O-CG 2.97Å; V343-L347 PolarHBondContact O-N 3.38Å; V344-L347 PolarHBondContact O-N 3.44Å; L347-V349 PolarHBondContact O-N 2.96Å; L347-I350 PolarHBondContact O-N 3.39Å; L347-I351 WeakPolarHBondContact O-CB 3.22Å; L347-I351 WeakPolarHBondContact O-CD1 3.34Å; L347-I351 VanDerWaalsContact O-CG1 3.22Å; L347-I351 WeakPolarHBondContact O-CG1 3.19Å; L347-I351 PolarHBondContact O-N 3.02Å |
| 348 | F | 93.2 | Very high | 85 | Confident | 152 Ų | 152 | 85.2 Ų | 85.2 | 67% | 0.667 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64 | -40.8 | 178.8 | -149.4 | -89 | 0 | 0 | 0 | 112.1 | V344 C345 I351 S352 | V344-F348 WeakPolarHBondContact O-CB 3.26Å; V344-F348 PolarHBondContact O-N 3.33Å; C345-F348 PolarHBondContact O-N 3.22Å; F348-I351 PolarHBondContact O-N 2.91Å; F348-S352 WeakPolarHBondContact O-CB 3.37Å; F348-S352 PolarHBondContact O-N 2.94Å; F348-S352 PolarHBondContact O-OG 3.05Å |
| 349 | V | 93.6 | Very high | 87.2 | Confident | 89 Ų | 89 | 83.3 Ų | 83.3 | 54% | 0.539 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64 | -45.7 | 175.4 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | C345 L346 L347 I351 S352 V353 | C345-V349 WeakPolarHBondContact O-CG2 3.39Å; C345-V349 PolarHBondContact O-N 3.43Å; L346-V349 PolarHBondContact O-N 3.11Å; L347-V349 PolarHBondContact O-N 2.96Å; V349-I351 PolarHBondContact O-N 3.34Å; V349-S352 WeakPolarHBondContact CA-OG 3.5Å; V349-S352 PolarHBondContact O-N 2.95Å; V349-S352 PolarHBondContact O-OG 2.87Å; V349-V353 VanDerWaalsContact O-CG2 3.29Å; V349-V353 WeakPolarHBondContact O-CG2 3.26Å; V349-V353 PolarHBondContact O-N 3Å |
| 350 | I | 93.2 | Very high | 89.2 | Confident | 99 Ų | 99 | 83.3 Ų | 83.3 | 51% | 0.508 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 178.3 | -68.7 | 170.8 | 0 | 0 | 0 | 111.1 | L346 L347 V353 A354 | L346-I350 HydrophobicContact CD2-CD1 3.63Å; L346-I350 HydrophobicContact CD2-CG1 4.34Å; L346-I350 WeakPolarHBondContact O-CG1 3.42Å; L346-I350 PolarHBondContact O-N 3.25Å; L347-I350 PolarHBondContact O-N 3.39Å; I350-V353 PolarHBondContact O-N 2.93Å; I350-A354 WeakPolarHBondContact O-CB 3.49Å; I350-A354 PolarHBondContact O-N 3.29Å |
| 351 | I | 94.9 | Very high | 90.4 | Very high | 100 Ų | 100 | 81 Ų | 81 | 51% | 0.513 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.3 | -45.2 | 179.3 | -69.4 | 165.4 | 0 | 0 | 0 | 110.8 | L347 F348 V349 V353 A354 C355 | L347-I351 WeakPolarHBondContact O-CB 3.22Å; L347-I351 WeakPolarHBondContact O-CD1 3.34Å; L347-I351 VanDerWaalsContact O-CG1 3.22Å; L347-I351 WeakPolarHBondContact O-CG1 3.19Å; L347-I351 PolarHBondContact O-N 3.02Å; F348-I351 PolarHBondContact O-N 2.91Å; V349-I351 PolarHBondContact O-N 3.34Å; I351-V353 PolarHBondContact O-N 3.04Å; I351-A354 PolarHBondContact O-N 3.34Å; I351-C355 WeakPolarHBondContact O-CB 3.37Å; I351-C355 PolarHBondContact O-N 2.96Å; I351-C355 PolarHBondContact O-SG 3.34Å |
| 352 | S | 94.7 | Very high | 91.4 | Very high | 50 Ų | 50 | 84.9 Ų | 84.9 | 35% | 0.35 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.9 | -38.2 | 179.7 | 41.1 | 0 | 0 | 0 | 0 | 112.4 | F348 V349 C355 L356 | F348-S352 WeakPolarHBondContact O-CB 3.37Å; F348-S352 PolarHBondContact O-N 2.94Å; F348-S352 PolarHBondContact O-OG 3.05Å; V349-S352 WeakPolarHBondContact CA-OG 3.5Å; V349-S352 PolarHBondContact O-N 2.95Å; V349-S352 PolarHBondContact O-OG 2.87Å; S352-C355 PolarHBondContact O-N 2.88Å; S352-L356 WeakPolarHBondContact O-CB 3.31Å; S352-L356 PolarHBondContact O-N 2.89Å |
| 353 | V | 95.1 | Very high | 92.1 | Very high | 81 Ų | 81 | 83.1 Ų | 83.1 | 49% | 0.491 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.3 | -44.9 | 172.1 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | V349 I350 I351 C355 L356 V357 | V349-V353 VanDerWaalsContact O-CG2 3.29Å; V349-V353 WeakPolarHBondContact O-CG2 3.26Å; V349-V353 PolarHBondContact O-N 3Å; I350-V353 PolarHBondContact O-N 2.93Å; I351-V353 PolarHBondContact O-N 3.04Å; V353-C355 PolarHBondContact O-N 3.47Å; V353-L356 PolarHBondContact O-N 3.44Å; V353-V357 HydrophobicContact CG1-CG2 4.45Å; V353-V357 WeakPolarHBondContact O-CG2 3.36Å; V353-V357 PolarHBondContact O-N 2.96Å |
| 354 | A | 95.2 | Very high | 92.4 | Very high | 61 Ų | 61 | 89.3 Ų | 89.3 | 50% | 0.504 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I350 I351 V357 G358 | I350-A354 WeakPolarHBondContact O-CB 3.49Å; I350-A354 PolarHBondContact O-N 3.29Å; I351-A354 PolarHBondContact O-N 3.34Å; A354-V357 PolarHBondContact O-N 3.44Å; A354-G358 PolarHBondContact O-N 3.09Å |
| 355 | C | 95.4 | Very high | 92.7 | Very high | 82 Ų | 82 | 90.6 Ų | 90.6 | 55% | 0.554 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.5 | -42.4 | 174.5 | -71.8 | 0 | 0 | 0 | 0 | 112.2 | I351 S352 V353 G358 W359 | I351-C355 WeakPolarHBondContact O-CB 3.37Å; I351-C355 PolarHBondContact O-N 2.96Å; I351-C355 PolarHBondContact O-SG 3.34Å; S352-C355 PolarHBondContact O-N 2.88Å; V353-C355 PolarHBondContact O-N 3.47Å; C355-G358 PolarHBondContact O-N 2.83Å; C355-W359 VanDerWaalsContact O-CB 3.31Å; C355-W359 WeakPolarHBondContact O-CB 3.15Å; C355-W359 PolarHBondContact O-N 2.9Å |
| 356 | L | 94.7 | Very high | 93 | Very high | 106 Ų | 106 | 89.7 Ų | 89.7 | 56% | 0.555 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.6 | -46.5 | 175.7 | -93.8 | 161.5 | 0 | 0 | 0 | 111.8 | S352 V353 W359 L360 | S352-L356 WeakPolarHBondContact O-CB 3.31Å; S352-L356 PolarHBondContact O-N 2.89Å; V353-L356 PolarHBondContact O-N 3.44Å; L356-W359 PolarHBondContact O-N 3.01Å; L356-L360 WeakPolarHBondContact O-CG 3.02Å; L356-L360 PolarHBondContact O-N 3.34Å |
| 357 | V | 94.1 | Very high | 92.8 | Very high | 92 Ų | 92 | 87.7 Ų | 87.7 | 56% | 0.558 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.7 | -44.1 | 177.7 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | V353 A354 W359 L360 A361 | V353-V357 HydrophobicContact CG1-CG2 4.45Å; V353-V357 WeakPolarHBondContact O-CG2 3.36Å; V353-V357 PolarHBondContact O-N 2.96Å; A354-V357 PolarHBondContact O-N 3.44Å; V357-W359 VanDerWaalsContact C-N 3.35Å; V357-W359 PolarHBondContact O-N 3.33Å; V357-L360 PolarHBondContact O-N 3.26Å; V357-A361 PolarHBondContact O-N 3.01Å |
| 358 | G | 94.7 | Very high | 92.5 | Very high | 41 Ų | 41 | 91.6 Ų | 91.6 | 42% | 0.423 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A354 C355 A361 Y362 | A354-G358 PolarHBondContact O-N 3.09Å; C355-G358 PolarHBondContact O-N 2.83Å; G358-A361 PolarHBondContact O-N 3.45Å; G358-Y362 WeakPolarHBondContact O-CB 3.45Å; G358-Y362 PolarHBondContact O-N 3.48Å |
| 359 | W | 94.1 | Very high | 92.4 | Very high | 96 Ų | 96 | 85.3 Ų | 85.3 | 36% | 0.364 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 176.2 | 178.6 | 83.4 | 0 | 0 | 0 | 112.1 | C355 L356 V357 Y362 A363 S371 F374 L375 | C355-W359 VanDerWaalsContact O-CB 3.31Å; C355-W359 WeakPolarHBondContact O-CB 3.15Å; C355-W359 PolarHBondContact O-N 2.9Å; L356-W359 PolarHBondContact O-N 3.01Å; V357-W359 VanDerWaalsContact C-N 3.35Å; V357-W359 PolarHBondContact O-N 3.33Å; W359-Y362 PolarHBondContact O-N 2.87Å; W359-A363 VanDerWaalsContact O-CB 3.26Å; W359-A363 WeakPolarHBondContact O-CB 3.5Å; W359-A363 PolarHBondContact O-N 2.99Å; W359-S371 PolarHBondContact NE1-OG 3.32Å; W359-F374 AromaticContact CH2-CD1 3.77Å; W359-F374 HydrophobicContact CH2-CD1 3.77Å; W359-F374 HydrophobicContact CH2-CE1 4.15Å; W359-F374 HydrophobicContact CZ2-CD1 4.23Å; W359-L375 HydrophobicContact CH2-CD2 4.11Å; W359-L375 HydrophobicContact CH2-CG 4.49Å; W359-L375 HydrophobicContact CZ3-CD2 4.12Å |
| 360 | L | 92.3 | Very high | 92.1 | Very high | 81 Ų | 81 | 92.1 Ų | 92.1 | 42% | 0.424 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 175.8 | -73.9 | 170.9 | 0 | 0 | 0 | 111.9 | L356 V357 A363 Y364 L375 | L356-L360 WeakPolarHBondContact O-CG 3.02Å; L356-L360 PolarHBondContact O-N 3.34Å; V357-L360 PolarHBondContact O-N 3.26Å; L360-A363 PolarHBondContact O-N 3.44Å; L360-Y364 WeakPolarHBondContact O-CB 3.29Å; L360-Y364 PolarHBondContact O-N 3.46Å; L360-L375 HydrophobicContact CD2-CD1 4.27Å; L360-L375 HydrophobicContact CD2-CD2 4Å |
| 361 | A | 92.6 | Very high | 91.9 | Very high | 53 Ų | 53 | 88.7 Ų | 88.7 | 44% | 0.438 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V357 G358 Y364 N365 | V357-A361 PolarHBondContact O-N 3.01Å; G358-A361 PolarHBondContact O-N 3.45Å; A361-Y364 PolarHBondContact O-N 3.32Å; A361-N365 PolarHBondContact O-N 3.28Å; A361-N365 VanDerWaalsContact O-N 3.08Å |
| 362 | Y | 93.8 | Very high | 91.5 | Very high | 122 Ų | 122 | 84 Ų | 84 | 48% | 0.478 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.6 | -47.4 | 175 | 173.5 | -94.4 | 0 | 0 | 0 | 111.9 | G358 W359 Y364 N365 N366 | G358-Y362 WeakPolarHBondContact O-CB 3.45Å; G358-Y362 PolarHBondContact O-N 3.48Å; W359-Y362 PolarHBondContact O-N 2.87Å; Y362-Y364 VanDerWaalsContact C-N 3.32Å; Y362-Y364 PolarHBondContact O-N 3.24Å; Y362-N365 PolarHBondContact O-N 2.92Å; Y362-N366 WeakPolarHBondContact O-CB 3.4Å; Y362-N366 PolarHBondContact O-N 3.14Å; Y362-N366 PolarHBondContact O-ND2 2.94Å |
| 363 | A | 92.2 | Very high | 91.1 | Very high | 2 Ų | 2 | 87.4 Ų | 87.4 | 2% | 0.017 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -65.2 | -35 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | W359 L360 G372 L375 | W359-A363 VanDerWaalsContact O-CB 3.26Å; W359-A363 WeakPolarHBondContact O-CB 3.5Å; W359-A363 PolarHBondContact O-N 2.99Å; L360-A363 PolarHBondContact O-N 3.44Å; A363-G372 VanDerWaalsContact O-CA 3.3Å; A363-G372 WeakPolarHBondContact O-CA 3.48Å; A363-L375 HydrophobicContact CB-CD1 3.42Å; A363-L375 VanDerWaalsContact CB-CD1 3.42Å; A363-L375 HydrophobicContact CB-CG 4.03Å |
| 364 | Y | 88.5 | Confident | 90.7 | Very high | 187 Ų | 187 | 88.7 Ų | 88.7 | 73% | 0.733 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -68.9 | -43.7 | 175.7 | -173.4 | -96.4 | 0 | 0 | 0 | 112.5 | L360 A361 Y362 | L360-Y364 WeakPolarHBondContact O-CB 3.29Å; L360-Y364 PolarHBondContact O-N 3.46Å; A361-Y364 PolarHBondContact O-N 3.32Å; Y362-Y364 VanDerWaalsContact C-N 3.32Å; Y362-Y364 PolarHBondContact O-N 3.24Å |
| 365 | N | 91.3 | Very high | 90.2 | Very high | 119 Ų | 119 | 88.4 Ų | 88.4 | 64% | 0.636 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -77.8 | -20 | -179.2 | -72.5 | -17.9 | 0 | 0 | 0 | 113.7 | A361 Y362 P367 | A361-N365 PolarHBondContact O-N 3.28Å; A361-N365 VanDerWaalsContact O-N 3.08Å; Y362-N365 PolarHBondContact O-N 2.92Å; N365-P367 VanDerWaalsContact C-CD 3.45Å; N365-P367 VanDerWaalsContact O-CD 3.31Å; N365-P367 WeakPolarHBondContact O-CD 3.04Å |
| 366 | N | 91.8 | Very high | 89.4 | Confident | 71 Ų | 71 | 89.6 Ų | 89.6 | 38% | 0.38 | 44% | 0.444 | S | S | . | . | trans | -121.4 | 72.1 | -178.1 | -62.3 | -85.4 | 0 | 0 | 0 | 111.2 | Y362 H368 S369 | Y362-N366 WeakPolarHBondContact O-CB 3.4Å; Y362-N366 PolarHBondContact O-N 3.14Å; Y362-N366 PolarHBondContact O-ND2 2.94Å; N366-H368 PolarHBondContact O-N 2.9Å; N366-H368 VanDerWaalsContact O-N 3.1Å; N366-S369 WeakPolarHBondContact O-CB 2.89Å; N366-S369 PolarHBondContact O-N 3.28Å; N366-S369 PolarHBondContact O-OG 3.47Å | ||
| 367 | P | 83.3 | Confident | 88.6 | Confident | 63 Ų | 63 | 94.7 Ų | 94.7 | 41% | 0.409 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -22.6 | -175.3 | 23.7 | -33.9 | 0 | 0 | 0 | 113.8 | N365 I376 | N365-P367 VanDerWaalsContact C-CD 3.45Å; N365-P367 VanDerWaalsContact O-CD 3.31Å; N365-P367 WeakPolarHBondContact O-CD 3.04Å; P367-I376 HydrophobicContact CB-CD1 4.28Å |
| 368 | H | 84.3 | Confident | 87.3 | Confident | 176 Ų | 176 | 96.4 Ų | 96.4 | 82% | 0.815 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -11.1 | 176.6 | -68.9 | -77.3 | 0 | 0 | 0 | 114.3 | N366 | N366-H368 PolarHBondContact O-N 2.9Å; N366-H368 VanDerWaalsContact O-N 3.1Å |
| 369 | S | 91 | Very high | 86.1 | Confident | 20 Ų | 20 | 102 Ų | 102 | 14% | 0.14 | 46% | 0.462 | C | S | . | . | S | Bend | trans | -73.4 | 159.6 | 176.3 | 71.5 | 0 | 0 | 0 | 0 | 111.5 | N366 S371 G372 Q373 | N366-S369 WeakPolarHBondContact O-CB 2.89Å; N366-S369 PolarHBondContact O-N 3.28Å; N366-S369 PolarHBondContact O-OG 3.47Å; S369-S371 PolarHBondContact O-N 3.42Å; S369-G372 PolarHBondContact O-N 3.4Å; S369-G372 VanDerWaalsContact O-N 3.13Å; S369-G372 PolarHBondContact OG-N 3.04Å; S369-Q373 PolarHBondContact O-N 3.44Å |
| 370 | R | 87.5 | Confident | 84.4 | Confident | 232 Ų | 232 | 102.3 Ų | 102.3 | 88% | 0.875 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -55.2 | -38 | 173.2 | -77.9 | -173.1 | 174.3 | 177.8 | -0.8 | 112.2 | F374 | R370-F374 PolarHBondContact O-N 2.66Å |
| 371 | S | 88.5 | Confident | 82.7 | Confident | 28 Ų | 28 | 103.3 Ų | 103.3 | 20% | 0.196 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -67.5 | -42.1 | 177.2 | -48.9 | 0 | 0 | 0 | 0 | 112 | W359 S369 F374 L375 | W359-S371 PolarHBondContact NE1-OG 3.32Å; S369-S371 PolarHBondContact O-N 3.42Å; S371-F374 WeakPolarHBondContact O-CB 3.36Å; S371-F374 PolarHBondContact O-N 3.38Å; S371-L375 PolarHBondContact O-N 3.33Å; S371-L375 VanDerWaalsContact O-N 3.16Å |
| 372 | G | 87 | Confident | 80.7 | Confident | 2 Ų | 2 | 110.6 Ų | 110.6 | 2% | 0.021 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A363 S369 F374 L375 I376 | A363-G372 VanDerWaalsContact O-CA 3.3Å; A363-G372 WeakPolarHBondContact O-CA 3.48Å; S369-G372 PolarHBondContact O-N 3.4Å; S369-G372 VanDerWaalsContact O-N 3.13Å; S369-G372 PolarHBondContact OG-N 3.04Å; G372-F374 VanDerWaalsContact C-N 3.27Å; G372-F374 PolarHBondContact O-N 2.95Å; G372-L375 PolarHBondContact O-N 3.07Å; G372-I376 WeakPolarHBondContact O-CG1 3.44Å; G372-I376 PolarHBondContact O-N 3.45Å |
| 373 | Q | 86.1 | Confident | 78.5 | Confident | 121 Ų | 121 | 112.3 Ų | 112.3 | 57% | 0.565 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.6 | -35.2 | 174 | -70.7 | -164.9 | -0.2 | 0 | 0 | 112.6 | S369 I376 R377 | S369-Q373 PolarHBondContact O-N 3.44Å; Q373-I376 PolarHBondContact O-N 3.04Å; Q373-R377 VanDerWaalsContact O-CB 3.27Å; Q373-R377 WeakPolarHBondContact O-CB 3.34Å; Q373-R377 PolarHBondContact O-N 3.43Å |
| 374 | F | 86.5 | Confident | 76.2 | Confident | 107 Ų | 107 | 118.4 Ų | 118.4 | 47% | 0.469 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.7 | -47.2 | 174.3 | -176.7 | -89.7 | 0 | 0 | 0 | 111.6 | W359 R370 S371 G372 I376 R377 Y378 | W359-F374 AromaticContact CH2-CD1 3.77Å; W359-F374 HydrophobicContact CH2-CD1 3.77Å; W359-F374 HydrophobicContact CH2-CE1 4.15Å; W359-F374 HydrophobicContact CZ2-CD1 4.23Å; R370-F374 PolarHBondContact O-N 2.66Å; S371-F374 WeakPolarHBondContact O-CB 3.36Å; S371-F374 PolarHBondContact O-N 3.38Å; G372-F374 VanDerWaalsContact C-N 3.27Å; G372-F374 PolarHBondContact O-N 2.95Å; F374-I376 PolarHBondContact O-N 3.48Å; F374-R377 PolarHBondContact O-N 3.47Å; F374-Y378 HydrophobicContact CD2-CD2 4.18Å; F374-Y378 AromaticContact CE2-CD2 3.87Å; F374-Y378 HydrophobicContact CE2-CD2 3.87Å; F374-Y378 HydrophobicContact CE2-CE2 4.03Å; F374-Y378 HydrophobicContact CZ-CD2 4.07Å; F374-Y378 HydrophobicContact CZ-CE2 4.48Å; F374-Y378 PolarHBondContact O-N 2.93Å |
| 375 | L | 84.1 | Confident | 74 | Confident | 56 Ų | 56 | 117.2 Ų | 117.2 | 29% | 0.293 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.6 | -35.6 | 177 | -69.6 | -174.9 | 0 | 0 | 0 | 113.4 | W359 L360 A363 S371 G372 Y378 R379 | W359-L375 HydrophobicContact CH2-CD2 4.11Å; W359-L375 HydrophobicContact CH2-CG 4.49Å; W359-L375 HydrophobicContact CZ3-CD2 4.12Å; L360-L375 HydrophobicContact CD2-CD1 4.27Å; L360-L375 HydrophobicContact CD2-CD2 4Å; A363-L375 HydrophobicContact CB-CD1 3.42Å; A363-L375 VanDerWaalsContact CB-CD1 3.42Å; A363-L375 HydrophobicContact CB-CG 4.03Å; S371-L375 PolarHBondContact O-N 3.33Å; S371-L375 VanDerWaalsContact O-N 3.16Å; G372-L375 PolarHBondContact O-N 3.07Å; L375-Y378 CarbonylContact O-C 3.58Å; L375-R379 PolarHBondContact O-N 2.94Å; L375-R379 VanDerWaalsContact O-N 3.15Å |
| 376 | I | 78.9 | Confident | 71.5 | Confident | 106 Ų | 106 | 114.5 Ų | 114.5 | 54% | 0.544 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68 | -42.9 | 175.8 | -66.7 | 166.7 | 0 | 0 | 0 | 110.4 | P367 G372 Q373 F374 Y378 | P367-I376 HydrophobicContact CB-CD1 4.28Å; G372-I376 WeakPolarHBondContact O-CG1 3.44Å; G372-I376 PolarHBondContact O-N 3.45Å; Q373-I376 PolarHBondContact O-N 3.04Å; F374-I376 PolarHBondContact O-N 3.48Å; I376-Y378 VanDerWaalsContact C-N 3.35Å |
| 377 | R | 77.8 | Confident | 69.2 | Low | 214 Ų | 214 | 115.3 Ų | 115.3 | 81% | 0.808 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.9 | -33.4 | -179.1 | -161.6 | 171.9 | -167.4 | 161.3 | 2.7 | 112.5 | Q373 F374 | Q373-R377 VanDerWaalsContact O-CB 3.27Å; Q373-R377 WeakPolarHBondContact O-CB 3.34Å; Q373-R377 PolarHBondContact O-N 3.43Å; F374-R377 PolarHBondContact O-N 3.47Å |
| 378 | Y | 67.8 | Low | 67.2 | Low | 128 Ų | 128 | 116.1 Ų | 116.1 | 50% | 0.502 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -109.8 | 31.8 | -178.4 | -81.9 | -81.6 | 0 | 0 | 0 | 113.9 | F374 L375 I376 P380 W383 | F374-Y378 HydrophobicContact CD2-CD2 4.18Å; F374-Y378 AromaticContact CE2-CD2 3.87Å; F374-Y378 HydrophobicContact CE2-CD2 3.87Å; F374-Y378 HydrophobicContact CE2-CE2 4.03Å; F374-Y378 HydrophobicContact CZ-CD2 4.07Å; F374-Y378 HydrophobicContact CZ-CE2 4.48Å; F374-Y378 PolarHBondContact O-N 2.93Å; L375-Y378 CarbonylContact O-C 3.58Å; I376-Y378 VanDerWaalsContact C-N 3.35Å; Y378-P380 WeakPolarHBondContact O-CD 3.47Å; Y378-W383 AromaticContact CD1-CZ2 3.94Å; Y378-W383 HydrophobicContact CD1-CZ2 3.94Å |
| 379 | R | 68.4 | Low | 65.6 | Low | 158 Ų | 158 | 112.4 Ų | 112.4 | 60% | 0.596 | 53% | 0.531 | S | S | * | . | trans | -57.8 | 124.4 | 178.6 | -151.5 | 179.1 | -147.2 | -166.4 | 9 | 110.5 | L375 T381 R382 | L375-R379 PolarHBondContact O-N 2.94Å; L375-R379 VanDerWaalsContact O-N 3.15Å; R379-T381 WeakPolarHBondContact CD-OG1 3.46Å; R379-T381 WeakPolarHBondContact CG-OG1 3.22Å; R379-T381 PolarHBondContact O-N 2.68Å; R379-R382 PolarHBondContact O-N 2.84Å | ||
| 380 | P | 58.4 | Low | 63.8 | Low | 102 Ų | 102 | 113.1 Ų | 113.1 | 66% | 0.662 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -57.3 | -23.4 | -179.9 | -26.2 | 33.6 | 0 | 0 | 0 | 113.9 | Y378 R382 W383 | Y378-P380 WeakPolarHBondContact O-CD 3.47Å; P380-R382 PolarHBondContact O-N 3.22Å; P380-W383 WeakPolarHBondContact O-CB 3.34Å; P380-W383 PolarHBondContact O-N 3.14Å |
| 381 | T | 56.5 | Low | 62.5 | Low | 103 Ų | 103 | 105.5 Ų | 105.5 | 63% | 0.632 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -68.8 | -10.7 | 174.2 | 60.1 | 0 | 0 | 0 | 0 | 113.9 | R379 | R379-T381 WeakPolarHBondContact CD-OG1 3.46Å; R379-T381 WeakPolarHBondContact CG-OG1 3.22Å; R379-T381 PolarHBondContact O-N 2.68Å |
| 382 | R | 51.4 | Low | 61.8 | Low | 206 Ų | 206 | 104.9 Ų | 104.9 | 78% | 0.777 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -95.1 | -8.5 | 168.1 | -72.6 | -169.4 | 173.7 | -147.5 | -1.3 | 112.8 | R379 P380 H384 | R379-R382 PolarHBondContact O-N 2.84Å; P380-R382 PolarHBondContact O-N 3.22Å; R382-H384 PolarHBondContact O-N 3.44Å |
| 383 | W | 46.4 | Very low | 61.6 | Low | 157 Ų | 157 | 112 Ų | 112 | 60% | 0.595 | 53% | 0.534 | S | S | * | . | trans | -84.6 | 76.1 | 172.7 | -63.5 | 34.6 | 0 | 0 | 0 | 106.8 | Y378 P380 L385 | Y378-W383 AromaticContact CD1-CZ2 3.94Å; Y378-W383 HydrophobicContact CD1-CZ2 3.94Å; P380-W383 WeakPolarHBondContact O-CB 3.34Å; P380-W383 PolarHBondContact O-N 3.14Å; W383-L385 HydrophobicContact CE3-CD1 4.44Å; W383-L385 PolarHBondContact O-N 3.32Å | ||
| 384 | H | 44.7 | Very low | 61.5 | Low | 131 Ų | 131 | 106.4 Ų | 106.4 | 61% | 0.606 | 51% | 0.507 | S | S | * | . | trans | -67.6 | 92.1 | 155.1 | -74.9 | -72.6 | 0 | 0 | 0 | 105.9 | R382 G386 | R382-H384 PolarHBondContact O-N 3.44Å; H384-G386 VanDerWaalsContact C-N 3.34Å; H384-G386 PolarHBondContact O-N 2.97Å | ||
| 385 | L | 42.2 | Very low | 61.2 | Low | 162 Ų | 162 | 105.9 Ų | 105.9 | 85% | 0.848 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -59.1 | 98.4 | 172.7 | -138.5 | 92.5 | 0 | 0 | 0 | 106.8 | W383 | W383-L385 HydrophobicContact CE3-CD1 4.44Å; W383-L385 PolarHBondContact O-N 3.32Å |
| 386 | G | 38.1 | Very low | 60.7 | Low | 61 Ų | 61 | 104.4 Ų | 104.4 | 63% | 0.629 | 51% | 0.509 | S | S | * | . | trans | 83.3 | 96.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | H384 S388 | H384-G386 VanDerWaalsContact C-N 3.34Å; H384-G386 PolarHBondContact O-N 2.97Å; G386-S388 PolarHBondContact O-N 2.95Å | ||
| 387 | D | 43.6 | Very low | 60.1 | Low | 89 Ų | 89 | 100.8 Ų | 100.8 | 48% | 0.476 | 49% | 0.493 | S | S | . | . | trans | -71.8 | 71.4 | 162.8 | -164.2 | 24 | 0 | 0 | 0 | 109 | R389 S390 | D387-R389 PolarHBondContact O-N 3.42Å; D387-R389 WeakPolarHBondContact OD1-CB 3.49Å; D387-R389 WeakPolarHBondContact OD1-CG 3.5Å; D387-S390 PolarHBondContact O-N 3.44Å; D387-S390 VanDerWaalsContact O-N 3.09Å; D387-S390 PolarHBondContact O-OG 3.43Å | ||
| 388 | S | 41.9 | Very low | 59.1 | Low | 79 Ų | 79 | 94.6 Ų | 94.6 | 55% | 0.552 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -6.7 | 176 | -152.4 | 0 | 0 | 0 | 0 | 112.1 | G386 S390 D391 | G386-S388 PolarHBondContact O-N 2.95Å; S388-S390 PolarHBondContact O-N 3.26Å; S388-D391 PolarHBondContact O-N 3.22Å |
| 389 | R | 49.8 | Very low | 57.9 | Low | 98 Ų | 98 | 95.4 Ų | 95.4 | 37% | 0.37 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -20.4 | 172 | -57.9 | -175.4 | 171.6 | 117.2 | -6.7 | 113 | D167 D387 | D167-R389 IonicContact OD2-CZ 3.46Å; D167-R389 IonicContact OD2-NE 2.97Å; D167-R389 PolarHBondContact OD2-NE 3.04Å; D167-R389 IonicContact OD2-NH2 3.38Å; D167-R389 PolarHBondContact OD2-NH2 3.2Å; D387-R389 PolarHBondContact O-N 3.42Å; D387-R389 WeakPolarHBondContact OD1-CB 3.49Å; D387-R389 WeakPolarHBondContact OD1-CG 3.5Å |
| 390 | S | 53.6 | Low | 56.4 | Low | 36 Ų | 36 | 98.4 Ų | 98.4 | 25% | 0.252 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -89.5 | -18.4 | 173.5 | 62.8 | 0 | 0 | 0 | 0 | 114.5 | D387 S388 I392 | D387-S390 PolarHBondContact O-N 3.44Å; D387-S390 VanDerWaalsContact O-N 3.09Å; D387-S390 PolarHBondContact O-OG 3.43Å; S388-S390 PolarHBondContact O-N 3.26Å; S390-I392 PolarHBondContact O-N 3.31Å |
| 391 | D | 60.4 | Low | 56.3 | Low | 72 Ų | 72 | 98.2 Ų | 98.2 | 39% | 0.385 | 51% | 0.505 | S | S | . | . | trans | -79 | -0.2 | -170.2 | -66.1 | -21.4 | 0 | 0 | 0 | 114 | W89 S388 R393 | W89-D391 WeakPolarHBondContact CH2-OD1 3.33Å; W89-D391 WeakPolarHBondContact CZ3-OD1 3.39Å; S388-D391 PolarHBondContact O-N 3.22Å; D391-R393 WeakPolarHBondContact O-CG 3.44Å; D391-R393 PolarHBondContact O-N 3.42Å | ||
| 392 | I | 74.6 | Confident | 56.3 | Low | 15 Ų | 15 | 97.9 Ų | 97.9 | 8% | 0.077 | 50% | 0.498 | C | S | . | . | P | Polyproline II helix | trans | -74 | 121.1 | -174.8 | -71.1 | 148.5 | 0 | 0 | 0 | 110.5 | P171 S390 Y394 | P171-I392 HydrophobicContact CG-CD1 4.38Å; S390-I392 PolarHBondContact O-N 3.31Å; I392-Y394 HydrophobicContact CG2-CD2 4.3Å; I392-Y394 HydrophobicContact CG2-CE2 3.9Å |
| 393 | R | 81.7 | Confident | 56.5 | Low | 151 Ų | 151 | 91.9 Ų | 91.9 | 57% | 0.57 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -96.6 | 126.5 | -175.5 | -59.8 | -174.1 | -176.9 | -178.4 | 1.3 | 110.8 | N88 D391 | N88-R393 HydrophobicContact CB-CB 4.1Å; N88-R393 HydrophobicContact CB-CG 4.01Å; N88-R393 CarbonylContact O-C 3.46Å; N88-R393 VanDerWaalsContact O-CA 3.28Å; N88-R393 WeakPolarHBondContact O-CA 3.28Å; D391-R393 WeakPolarHBondContact O-CG 3.44Å; D391-R393 PolarHBondContact O-N 3.42Å |
| 394 | Y | 83.6 | Confident | 57.1 | Low | 3 Ų | 3 | 88.1 Ų | 88.1 | 1% | 0.012 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -99.6 | 136.1 | 166.4 | -82 | -97.6 | 0 | 0 | 0 | 109.6 | R51 A53 A75 G77 F79 N88 A91 H170 I392 A396 | R51-Y394 VanDerWaalsContact C-CD1 3.41Å; R51-Y394 HydrophobicContact CB-CD1 4.37Å; R51-Y394 HydrophobicContact CB-CE1 4.36Å; R51-Y394 WeakPolarHBondContact O-CA 2.84Å; A53-Y394 HydrophobicContact CB-CD1 4.23Å; A75-Y394 HydrophobicContact CB-CD1 3.98Å; A75-Y394 HydrophobicContact CB-CE1 3.76Å; G77-Y394 VanDerWaalsContact CA-OH 3.3Å; G77-Y394 WeakPolarHBondContact CA-OH 3.05Å; G77-Y394 PolarHBondContact N-OH 2.83Å; F79-Y394 HydrophobicContact CE1-CE1 4.22Å; F79-Y394 AromaticContact CE1-CE2 3.75Å; F79-Y394 HydrophobicContact CE1-CE2 3.75Å; F79-Y394 AromaticContact CE1-CZ 3.59Å; F79-Y394 HydrophobicContact CZ-CD2 4.12Å; F79-Y394 HydrophobicContact CZ-CE1 4.49Å; F79-Y394 AromaticContact CZ-CE2 3.79Å; F79-Y394 HydrophobicContact CZ-CE2 3.79Å; N88-Y394 PolarHBondContact O-N 3.43Å; A91-Y394 HydrophobicContact CB-CE2 4.34Å; H170-Y394 AromaticContact NE2-CE2 3.62Å; H170-Y394 AromaticContact NE2-CZ 3.56Å; H170-Y394 PolarHBondContact NE2-OH 3.43Å; I392-Y394 HydrophobicContact CG2-CD2 4.3Å; I392-Y394 HydrophobicContact CG2-CE2 3.9Å; Y394-A396 PolarHBondContact O-N 3.47Å |
| 395 | T | 81.5 | Confident | 57.9 | Low | 96 Ų | 96 | 85.4 Ų | 85.4 | 59% | 0.589 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 105.8 | 168.8 | -54.7 | 0 | 0 | 0 | 0 | 107.7 | R51 A53 | R51-T395 PolarHBondContact O-N 2.81Å; A53-T395 PolarHBondContact N-O 3.04Å; A53-T395 VanDerWaalsContact N-O 3.09Å |
| 396 | A | 72.9 | Confident | 58.9 | Low | 25 Ų | 25 | 80.3 Ų | 80.3 | 21% | 0.207 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 121.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | A53 V86 L90 Y394 | A53-A396 WeakPolarHBondContact O-CA 3.15Å; V86-A396 HydrophobicContact CG1-CB 3.57Å; L90-A396 HydrophobicContact CD1-CB 4.44Å; Y394-A396 PolarHBondContact O-N 3.47Å |
| 397 | S | 66.4 | Low | 60.4 | Low | 31 Ų | 31 | 81.7 Ų | 81.7 | 22% | 0.217 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 113.4 | 166.9 | 45.4 | 0 | 0 | 0 | 0 | 108.6 | A53 M54 H399 | A53-S397 PolarHBondContact O-N 2.82Å; M54-S397 WeakPolarHBondContact CE-OG 3.37Å; M54-S397 PolarHBondContact SD-OG 2.96Å; S397-H399 PolarHBondContact O-N 2.84Å |
| 398 | V | 56.1 | Low | 61.7 | Low | 83 Ų | 83 | 81.2 Ų | 81.2 | 50% | 0.503 | 43% | 0.426 | S | S | . | . | trans | -89.2 | 90.7 | 172.8 | -177 | 0 | 0 | 0 | 0 | 106.7 | I400 | V398-I400 HydrophobicContact CG1-CD1 3.82Å; V398-I400 HydrophobicContact CG1-CG1 3.75Å | ||
| 399 | H | 44.4 | Very low | 63.4 | Low | 145 Ų | 145 | 81.3 Ų | 81.3 | 67% | 0.671 | 42% | 0.415 | S | S | * | . | trans | -90.8 | 98.4 | 161.4 | -70.4 | -68.2 | 0 | 0 | 0 | 106.3 | S397 | S397-H399 PolarHBondContact O-N 2.84Š| ||
| 400 | I | 35.3 | Very low | 64.6 | Low | 221 Ų | 221 | 79.8 Ų | 79.8 | 100% | 1.133 | 42% | 0.42 | S | S | * | . | trans | -80.5 | 0 | 165.3 | -74.4 | 163.8 | 0 | 0 | 0 | 108.4 | V398 | V398-I400 HydrophobicContact CG1-CD1 3.82Å; V398-I400 HydrophobicContact CG1-CG1 3.75Å |
Retrieved 400 of 400 residues in 301 ms
(Link to these results)