| 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 | 86.6 | Confident | 92.6 | Very high | 73 Ų | 73 | 61.2 Ų | 61.2 | 36% | 0.36 | 31% | 0.306 | S | S | . | . | 0 | 129.6 | 0 | -174.7 | -169 | -173.5 | 0 | 0 | 108.6 | V321 I323 L355 D356 F357 E361 | M1-V321 HydrophobicContact CE-CG1 4.12Å; M1-V321 HydrophobicContact SD-CB 4.5Å; M1-V321 HydrophobicContact SD-CG1 3.94Å; M1-V321 HydrophobicContact SD-CG2 3.87Å; M1-I323 HydrophobicContact CE-CD1 3.73Å; M1-L355 HydrophobicContact CE-CB 3.77Å; M1-L355 HydrophobicContact CE-CD2 3.35Å; M1-L355 HydrophobicContact CE-CG 3.59Å; M1-D356 CarbonylContact C-O 3.36Å; M1-D356 WeakPolarHBondContact CA-O 3.45Å; M1-F357 HydrophobicContact CB-CD1 4.19Å; M1-F357 HydrophobicContact CB-CE1 4.34Å; M1-F357 HydrophobicContact CE-CE1 4.01Å; M1-F357 HydrophobicContact CE-CE2 4.2Å; M1-F357 HydrophobicContact CE-CZ 3.6Å; M1-F357 HydrophobicContact CG-CD1 4.03Å; M1-F357 HydrophobicContact CG-CE1 3.87Å; M1-F357 HydrophobicContact CG-CZ 4.27Å; M1-F357 HydrophobicContact SD-CE1 3.79Å; M1-F357 HydrophobicContact SD-CZ 4.02Å; M1-E361 VanDerWaalsContact CA-OE2 3.32Å; M1-E361 WeakPolarHBondContact CA-OE2 3.43Å; M1-E361 WeakPolarHBondContact CB-OE1 3.16Å; M1-E361 PolarHBondContact N-OE1 3.29Å; M1-E361 PolarHBondContact N-OE2 2.68Å | |||
| 2 | K | 92.7 | Very high | 92.1 | Very high | 123 Ų | 123 | 66 Ų | 66 | 54% | 0.535 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 158 | 164.3 | -48.9 | 172 | -166.9 | 137.4 | 0 | 109.4 | L355 D356 | K2-L355 WeakPolarHBondContact O-CA 3.38Å; K2-D356 HydrophobicContact CB-CB 4.15Å; K2-D356 HydrophobicContact CD-CB 4.49Å; K2-D356 WeakPolarHBondContact CD-OD2 3.38Å; K2-D356 WeakPolarHBondContact CE-OD2 3.25Å; K2-D356 PolarHBondContact N-O 3.38Å; K2-D356 IonicContact NZ-OD2 2.91Å; K2-D356 PolarHBondContact NZ-OD2 3.07Å; K2-D356 PolarHBondContact O-N 2.74Å |
| 3 | L | 94.9 | Very high | 91.6 | Very high | 79 Ų | 79 | 65.2 Ų | 65.2 | 41% | 0.414 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 124 | 172.5 | 170.1 | 62.4 | 0 | 0 | 0 | 108.4 | I323 L326 A353 L355 | L3-I323 HydrophobicContact CD2-CD1 4.42Å; L3-L326 HydrophobicContact CD1-CD1 3.81Å; L3-L326 HydrophobicContact CD2-CD1 4.06Å; L3-A353 HydrophobicContact CD1-CB 4.17Å; L3-L355 HydrophobicContact CD1-CD1 3.6Å; L3-L355 HydrophobicContact CD1-CG 3.97Å |
| 4 | L | 95.1 | Very high | 91.8 | Very high | 63 Ų | 63 | 65.9 Ų | 65.9 | 33% | 0.33 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 142.7 | -177.4 | -56.8 | 175.9 | 0 | 0 | 0 | 109.3 | V48 A353 F354 | L4-V48 WeakPolarHBondContact CD1-O 3.5Å; L4-A353 WeakPolarHBondContact O-CA 3.48Å; L4-F354 HydrophobicContact CD1-CD1 4.48Å; L4-F354 PolarHBondContact N-O 2.92Å; L4-F354 PolarHBondContact O-N 3.12Å |
| 5 | K | 94.2 | Very high | 92.1 | Very high | 109 Ų | 109 | 63.5 Ų | 63.5 | 47% | 0.474 | 34% | 0.339 | S | S | . | . | trans | -133.5 | 88.2 | -179 | -79 | -173 | 170 | -172.5 | 0 | 110 | T7 L326 A353 | K5-T7 PolarHBondContact O-N 3.05Å; K5-L326 WeakPolarHBondContact CE-O 3.32Å; K5-L326 PolarHBondContact NZ-O 3.21Å; K5-A353 HydrophobicContact CG-CB 3.99Å | ||
| 6 | P | 94.1 | Very high | 92.5 | Very high | 8 Ų | 8 | 59.5 Ų | 59.5 | 5% | 0.052 | 32% | 0.318 | C | S | . | . | trans | -71.3 | 100.8 | -178.5 | 29.9 | -35.5 | 0 | 0 | 0 | 110.4 | W8 V9 V48 V352 | P6-W8 HydrophobicContact CB-CD2 4.29Å; P6-W8 HydrophobicContact CB-CZ2 3.8Å; P6-W8 PolarHBondContact O-N 2.97Å; P6-V9 HydrophobicContact CB-CG2 3.8Å; P6-V9 HydrophobicContact CG-CB 4.18Å; P6-V9 HydrophobicContact CG-CG2 3.66Å; P6-V9 WeakPolarHBondContact O-CB 3.32Å; P6-V9 PolarHBondContact O-N 3.32Å; P6-V48 HydrophobicContact CB-CG2 4.28Å; P6-V48 HydrophobicContact CG-CG1 4.05Å; P6-V48 HydrophobicContact CG-CG2 4.12Å; P6-V352 HydrophobicContact CG-CG2 3.82Å | ||
| 7 | T | 91.3 | Very high | 92.8 | Very high | 121 Ų | 121 | 56.9 Ų | 56.9 | 74% | 0.742 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -23 | -173.1 | 55.7 | 0 | 0 | 0 | 0 | 113.8 | K5 V9 N10 | K5-T7 PolarHBondContact O-N 3.05Å; T7-V9 VanDerWaalsContact C-N 3.31Å; T7-N10 PolarHBondContact O-ND2 3.44Å |
| 8 | W | 92.8 | Very high | 93.2 | Very high | 40 Ų | 40 | 53.7 Ų | 53.7 | 15% | 0.152 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -16.8 | 174.4 | 52.5 | -92.6 | 0 | 0 | 0 | 113.7 | P6 N10 W43 P47 V48 E54 K61 | P6-W8 HydrophobicContact CB-CD2 4.29Å; P6-W8 HydrophobicContact CB-CZ2 3.8Å; P6-W8 PolarHBondContact O-N 2.97Å; W8-N10 PolarHBondContact O-N 3.27Å; W8-N10 VanDerWaalsContact O-N 3.11Å; W8-W43 AromaticContact CE3-CE3 3.88Å; W8-W43 HydrophobicContact CE3-CE3 3.88Å; W8-W43 HydrophobicContact CE3-CZ3 4.01Å; W8-W43 HydrophobicContact CZ3-CB 4.41Å; W8-W43 HydrophobicContact CZ3-CD2 4.34Å; W8-W43 AromaticContact CZ3-CE3 3.7Å; W8-W43 HydrophobicContact CZ3-CE3 3.7Å; W8-W43 HydrophobicContact CZ3-CZ3 4.31Å; W8-W43 WeakPolarHBondContact O-CH2 3.41Å; W8-P47 HydrophobicContact CH2-CB 4.24Å; W8-P47 HydrophobicContact CZ2-CB 3.81Å; W8-V48 HydrophobicContact CH2-CG2 3.6Å; W8-V48 HydrophobicContact CZ2-CG2 3.62Å; W8-E54 PolarHBondContact NE1-OE1 2.86Å; W8-K61 HydrophobicContact CD2-CB 4.11Å; W8-K61 HydrophobicContact CD2-CD 3.8Å; W8-K61 HydrophobicContact CD2-CG 4.39Å; W8-K61 HydrophobicContact CE3-CB 3.68Å; W8-K61 HydrophobicContact CE3-CD 4.27Å; W8-K61 HydrophobicContact CE3-CG 4.43Å; W8-K61 HydrophobicContact CG-CD 3.95Å; W8-K61 HydrophobicContact CH2-CB 4.1Å; W8-K61 HydrophobicContact CZ2-CD 4.44Å; W8-K61 HydrophobicContact CZ3-CB 3.67Å; W8-K61 HydrophobicContact CZ3-CG 4.5Å; W8-K61 WeakPolarHBondContact CZ3-O 3.35Å |
| 9 | V | 94.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | trans | -82.4 | 87.8 | 172.9 | -176.4 | 0 | 0 | 0 | 0 | 108.5 | P6 T7 F28 T30 W43 V352 | P6-V9 HydrophobicContact CB-CG2 3.8Å; P6-V9 HydrophobicContact CG-CB 4.18Å; P6-V9 HydrophobicContact CG-CG2 3.66Å; P6-V9 WeakPolarHBondContact O-CB 3.32Å; P6-V9 PolarHBondContact O-N 3.32Å; T7-V9 VanDerWaalsContact C-N 3.31Å; V9-F28 HydrophobicContact CG1-CE2 3.84Å; V9-F28 HydrophobicContact CG1-CZ 3.88Å; V9-F28 HydrophobicContact CG2-CZ 3.78Å; V9-T30 HydrophobicContact CG1-CG2 4.48Å; V9-W43 HydrophobicContact CG1-CD2 4.3Å; V9-W43 HydrophobicContact CG1-CZ2 4.19Å; V9-W43 HydrophobicContact CG2-CD2 4.49Å; V9-V352 HydrophobicContact CB-CG2 3.77Å; V9-V352 HydrophobicContact CG1-CB 4.37Å; V9-V352 HydrophobicContact CG1-CG1 3.87Å; V9-V352 HydrophobicContact CG1-CG2 3.55Å; V9-V352 HydrophobicContact CG2-CG2 4.28Å | ||
| 10 | N | 91.3 | Very high | 93.7 | Very high | 54 Ų | 54 | 49.5 Ų | 49.5 | 29% | 0.289 | 26% | 0.263 | S | S | . | . | trans | -147.3 | 161.9 | 177.7 | 69.4 | 74.9 | 0 | 0 | 0 | 113.1 | T7 W8 N12 G350 | T7-N10 PolarHBondContact O-ND2 3.44Å; W8-N10 PolarHBondContact O-N 3.27Å; W8-N10 VanDerWaalsContact O-N 3.11Å; N10-N12 WeakPolarHBondContact OD1-CA 3.39Å; N10-N12 PolarHBondContact OD1-N 3.43Å; N10-G350 VanDerWaalsContact CA-O 3.28Å; N10-G350 WeakPolarHBondContact CA-O 3.27Å; N10-G350 WeakPolarHBondContact CB-O 3.49Å | ||
| 11 | H | 90.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.009 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -105 | 47.8 | 172.8 | -75.5 | -147.3 | 0 | 0 | 0 | 110.5 | G13 K14 I16 T30 K39 | H11-G13 VanDerWaalsContact C-N 3.26Å; H11-G13 PolarHBondContact O-N 2.73Å; H11-K14 HydrophobicContact CB-CB 4.31Å; H11-K14 WeakPolarHBondContact O-CB 3.12Å; H11-K14 WeakPolarHBondContact O-CG 3.38Å; H11-K14 PolarHBondContact O-N 3.43Å; H11-I16 HydrophobicContact CB-CG1 4.22Å; H11-T30 PolarHBondContact NE2-OG1 3.3Å; H11-K39 PolarHBondContact CE1-O 2.87Å |
| 12 | N | 87.1 | Confident | 94.4 | Very high | 119 Ų | 119 | 45 Ų | 45 | 64% | 0.636 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 37.8 | -177.5 | -57.6 | -5.6 | 0 | 0 | 0 | 113.4 | N10 K14 | N10-N12 WeakPolarHBondContact OD1-CA 3.39Å; N10-N12 PolarHBondContact OD1-N 3.43Å; N12-K14 VanDerWaalsContact C-N 3.27Å; N12-K14 PolarHBondContact O-N 2.69Å |
| 13 | G | 85.1 | Confident | 94.4 | Very high | 55 Ų | 55 | 40.5 Ų | 40.5 | 57% | 0.567 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | 5.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | H11 | H11-G13 VanDerWaalsContact C-N 3.26Å; H11-G13 PolarHBondContact O-N 2.73Å |
| 14 | K | 94.9 | Very high | 94.2 | Very high | 75 Ų | 75 | 41.1 Ų | 41.1 | 33% | 0.326 | 23% | 0.227 | S | C | . | . | B | Isolated β-bridge | trans | -83.8 | 154.4 | 168.9 | -56.1 | -81.2 | -171.4 | 140.3 | 0 | 110.3 | H11 N12 Q33 G34 Q35 G350 | H11-K14 HydrophobicContact CB-CB 4.31Å; H11-K14 WeakPolarHBondContact O-CB 3.12Å; H11-K14 WeakPolarHBondContact O-CG 3.38Å; H11-K14 PolarHBondContact O-N 3.43Å; N12-K14 VanDerWaalsContact C-N 3.27Å; N12-K14 PolarHBondContact O-N 2.69Å; K14-Q33 HydrophobicContact CB-CB 4.33Å; K14-Q33 HydrophobicContact CB-CG 4.49Å; K14-Q33 WeakPolarHBondContact CB-O 3.12Å; K14-Q33 HydrophobicContact CD-CG 4.3Å; K14-G34 WeakPolarHBondContact CD-O 3.31Å; K14-G34 WeakPolarHBondContact CE-O 3.45Å; K14-G34 WeakPolarHBondContact CG-O 3.41Å; K14-G34 PolarHBondContact NZ-O 2.88Å; K14-Q35 PolarHBondContact NZ-O 2.81Å; K14-G350 WeakPolarHBondContact O-CA 3.37Å |
| 15 | P | 96.4 | Very high | 94.1 | Very high | 30 Ų | 30 | 39.1 Ų | 39.1 | 20% | 0.195 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -58.6 | 139.3 | -179.4 | -25.1 | 34.6 | 0 | 0 | 0 | 114.5 | F17 G32 Q33 M348 | P15-F17 HydrophobicContact CB-CD1 4.06Å; P15-F17 HydrophobicContact CB-CE1 3.5Å; P15-F17 VanDerWaalsContact CB-CE1 3.5Å; P15-F17 HydrophobicContact CB-CE2 4.16Å; P15-F17 HydrophobicContact CB-CZ 3.57Å; P15-F17 HydrophobicContact CG-CE1 4.23Å; P15-F17 HydrophobicContact CG-CZ 4.03Å; P15-G32 VanDerWaalsContact O-CA 3.32Å; P15-G32 WeakPolarHBondContact O-CA 3.34Å; P15-Q33 PolarHBondContact O-N 3.21Å; P15-Q33 VanDerWaalsContact O-N 3.08Å; P15-M348 HydrophobicContact CB-CG 4.19Å; P15-M348 HydrophobicContact CG-CG 4.3Å |
| 16 | I | 97.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 122 | 159.9 | -63 | 173.8 | 0 | 0 | 0 | 106.9 | H11 S18 T30 C346 S347 G350 V352 | H11-I16 HydrophobicContact CB-CG1 4.22Å; I16-S18 WeakPolarHBondContact CG2-O 3.08Å; I16-T30 HydrophobicContact CD1-CG2 4.38Å; I16-T30 HydrophobicContact CG2-CG2 4.35Å; I16-C346 HydrophobicContact CB-CB 4.3Å; I16-C346 HydrophobicContact CG2-CB 3.7Å; I16-S347 PolarHBondContact N-O 3.14Å; I16-S347 CarbonylContact O-C 3.59Å; I16-G350 VanDerWaalsContact CD1-O 3.31Å; I16-G350 WeakPolarHBondContact CD1-O 3.45Å; I16-V352 HydrophobicContact CD1-CG1 4.15Å |
| 17 | F | 98.3 | Very high | 94.2 | Very high | 15 Ų | 15 | 37.1 Ų | 37.1 | 7% | 0.066 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | -19.8 | -177.1 | -62.9 | -53.3 | 0 | 0 | 0 | 113.2 | P15 G31 Q33 C72 H224 M332 M348 | P15-F17 HydrophobicContact CB-CD1 4.06Å; P15-F17 HydrophobicContact CB-CE1 3.5Å; P15-F17 VanDerWaalsContact CB-CE1 3.5Å; P15-F17 HydrophobicContact CB-CE2 4.16Å; P15-F17 HydrophobicContact CB-CZ 3.57Å; P15-F17 HydrophobicContact CG-CE1 4.23Å; P15-F17 HydrophobicContact CG-CZ 4.03Å; F17-G31 PolarHBondContact N-O 3.17Å; F17-Q33 HydrophobicContact CE2-CB 4.47Å; F17-C72 HydrophobicContact CD2-CB 4.47Å; F17-C72 HydrophobicContact CE2-CB 4.02Å; F17-H224 AromaticContact CE1-NE2 3.65Å; F17-H224 AromaticContact CZ-NE2 3.81Å; F17-M332 HydrophobicContact CD1-CE 3.98Å; F17-M332 HydrophobicContact CD1-CG 4.42Å; F17-M348 HydrophobicContact CE1-CE 3.98Å; F17-M348 HydrophobicContact CE1-CG 4.48Å |
| 18 | S | 98.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 149.4 | 178.9 | -177.6 | 0 | 0 | 0 | 0 | 113 | I16 T30 G31 N74 V76 D333 | I16-S18 WeakPolarHBondContact CG2-O 3.08Å; S18-T30 WeakPolarHBondContact O-CA 3.18Å; S18-G31 PolarHBondContact N-O 3.31Å; S18-G31 VanDerWaalsContact N-O 3.09Å; S18-G31 PolarHBondContact O-N 3.49Å; S18-N74 WeakPolarHBondContact CB-O 3.17Å; S18-V76 PolarHBondContact OG-N 3.11Å; S18-V76 PolarHBondContact OG-O 2.86Å; S18-D333 VanDerWaalsContact CA-OD2 3.26Å; S18-D333 WeakPolarHBondContact CA-OD2 3.46Å; S18-D333 VanDerWaalsContact CB-OD2 3.31Å; S18-D333 WeakPolarHBondContact CB-OD2 3.48Å; S18-D333 PolarHBondContact OG-OD2 2.95Å |
| 19 | V | 98.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 140.9 | 177.2 | 67.1 | 0 | 0 | 0 | 0 | 109.4 | F28 A29 T30 R77 D333 L344 C346 | V19-F28 HydrophobicContact CG2-CD2 4Å; V19-A29 WeakPolarHBondContact CA-O 3.44Å; V19-A29 WeakPolarHBondContact CG2-O 3.42Å; V19-T30 HydrophobicContact CG2-CG2 4.04Å; V19-R77 PolarHBondContact O-NH1 3.01Å; V19-R77 VanDerWaalsContact O-NH1 3.11Å; V19-D333 HydrophobicContact CG1-CB 4.38Å; V19-D333 PolarHBondContact N-OD2 2.61Å; V19-L344 HydrophobicContact CG2-CD2 3.48Å; V19-L344 VanDerWaalsContact CG2-CD2 3.48Å; V19-L344 HydrophobicContact CG2-CG 3.86Å; V19-C346 HydrophobicContact CB-CB 3.95Å; V19-C346 HydrophobicContact CG1-CB 3.83Å |
| 20 | D | 98.6 | Very high | 95 | Very high | 22 Ų | 22 | 29.4 Ų | 29.4 | 12% | 0.118 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 131.6 | 174.7 | -153.9 | 29.3 | 0 | 0 | 0 | 113 | F28 A29 R77 W78 S335 | D20-F28 CarbonylContact O-C 3.54Å; D20-F28 WeakPolarHBondContact O-CA 3.49Å; D20-F28 WeakPolarHBondContact O-CB 3.36Å; D20-A29 PolarHBondContact N-O 2.88Å; D20-A29 PolarHBondContact O-N 3.3Å; D20-R77 VanDerWaalsContact OD2-CA 3.29Å; D20-R77 WeakPolarHBondContact OD2-CA 3.31Å; D20-W78 PolarHBondContact O-NE1 2.86Å; D20-W78 PolarHBondContact OD2-N 2.78Å; D20-S335 VanDerWaalsContact OD1-CB 3.31Å; D20-S335 WeakPolarHBondContact OD1-CB 3.43Å; D20-S335 PolarHBondContact OD1-OG 3.42Å |
| 21 | I | 98.3 | Very high | 95.3 | Very high | 10 Ų | 10 | 26.9 Ų | 26.9 | 5% | 0.051 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 134.8 | -180 | -52.2 | 178.1 | 0 | 0 | 0 | 108.8 | F28 W78 S335 T337 L344 | I21-F28 HydrophobicContact CG1-CB 4.36Å; I21-W78 VanDerWaalsContact C-CD1 3.41Å; I21-W78 VanDerWaalsContact O-CD1 3.3Å; I21-S335 PolarHBondContact N-OG 3.02Å; I21-S335 VanDerWaalsContact N-OG 3.11Å; I21-T337 HydrophobicContact CD1-CG2 3.65Å; I21-T337 HydrophobicContact CG2-CG2 4.49Å; I21-L344 HydrophobicContact CD1-CB 3.73Å; I21-L344 HydrophobicContact CG1-CB 4.01Å; I21-L344 HydrophobicContact CG1-CD2 4.07Å |
| 22 | H | 97.2 | Very high | 95.6 | Very high | 18 Ų | 18 | 26.8 Ų | 26.8 | 8% | 0.083 | 16% | 0.162 | C | C | . | . | trans | -67.7 | 142.3 | 176.9 | -177.9 | -97.5 | 0 | 0 | 0 | 110 | D24 G25 K27 W78 G82 | H22-D24 VanDerWaalsContact C-N 3.26Å; H22-D24 VanDerWaalsContact CE1-CG 3.42Å; H22-D24 IonicContact CE1-OD1 3.3Å; H22-D24 IonicContact CE1-OD2 3.83Å; H22-D24 PolarHBondContact CE1-OD2 3.18Å; H22-D24 IonicContact CG-OD1 3.91Å; H22-D24 IonicContact ND1-OD1 2.66Å; H22-D24 PolarHBondContact ND1-OD1 3.25Å; H22-D24 IonicContact ND1-OD2 2.85Å; H22-D24 PolarHBondContact ND1-OD2 3.12Å; H22-D24 VanDerWaalsContact ND1-OD2 3.1Å; H22-D24 PolarHBondContact O-N 2.9Å; H22-D24 VanDerWaalsContact O-N 3.08Å; H22-G25 PolarHBondContact O-N 2.84Å; H22-K27 HydrophobicContact CB-CG 3.62Å; H22-K27 VanDerWaalsContact CB-O 3.24Å; H22-K27 WeakPolarHBondContact CB-O 3.47Å; H22-K27 PolarHBondContact N-O 3.4Å; H22-W78 HydrophobicContact CB-CD2 4.19Å; H22-W78 HydrophobicContact CB-CG 4.4Å; H22-W78 HydrophobicContact CB-CZ2 4.26Å; H22-W78 AromaticContact CD2-CD2 3.67Å; H22-W78 AromaticContact CD2-CE2 3.93Å; H22-W78 AromaticContact CD2-CE3 3.52Å; H22-W78 AromaticContact CD2-CH2 3.9Å; H22-W78 AromaticContact CD2-CZ3 3.63Å; H22-G82 PolarHBondContact NE2-O 2.89Å | ||
| 23 | P | 92.3 | Very high | 96 | Very high | 29 Ų | 29 | 22.5 Ų | 22.5 | 19% | 0.188 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -29.2 | -171.1 | -30.5 | 37.2 | 0 | 0 | 0 | 116.2 | G25 S79 N80 L338 | P23-G25 PolarHBondContact O-N 3.46Å; P23-S79 WeakPolarHBondContact CG-O 3.32Å; P23-N80 WeakPolarHBondContact CG-O 3.49Å; P23-L338 HydrophobicContact CB-CD2 4.48Å; P23-L338 VanDerWaalsContact O-CB 3.31Å; P23-L338 WeakPolarHBondContact O-CB 3.45Å; P23-L338 WeakPolarHBondContact O-CD2 3.42Å |
| 24 | D | 91.4 | Very high | 96.2 | Very high | 92 Ų | 92 | 20.1 Ų | 20.1 | 49% | 0.492 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -7 | 174.7 | 69.1 | 14.6 | 0 | 0 | 0 | 114.5 | H22 T26 | H22-D24 VanDerWaalsContact C-N 3.26Å; H22-D24 VanDerWaalsContact CE1-CG 3.42Å; H22-D24 IonicContact CE1-OD1 3.3Å; H22-D24 IonicContact CE1-OD2 3.83Å; H22-D24 PolarHBondContact CE1-OD2 3.18Å; H22-D24 IonicContact CG-OD1 3.91Å; H22-D24 IonicContact ND1-OD1 2.66Å; H22-D24 PolarHBondContact ND1-OD1 3.25Å; H22-D24 IonicContact ND1-OD2 2.85Å; H22-D24 PolarHBondContact ND1-OD2 3.12Å; H22-D24 VanDerWaalsContact ND1-OD2 3.1Å; H22-D24 PolarHBondContact O-N 2.9Å; H22-D24 VanDerWaalsContact O-N 3.08Å; D24-T26 HydrophobicContact CB-CG2 4.37Å; D24-T26 VanDerWaalsContact CG-OG1 3.25Å; D24-T26 PolarHBondContact O-N 3.46Å; D24-T26 WeakPolarHBondContact OD1-CB 2.98Å; D24-T26 WeakPolarHBondContact OD1-CG2 3.42Å; D24-T26 PolarHBondContact OD1-N 2.69Å; D24-T26 PolarHBondContact OD1-OG1 3.35Å; D24-T26 PolarHBondContact OD2-OG1 2.83Å |
| 25 | G | 92.1 | Very high | 95.9 | Very high | 22 Ų | 22 | 23.1 Ų | 23.1 | 23% | 0.227 | 13% | 0.129 | C | C | . | . | S | Bend | trans | 74.3 | 1.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | H22 P23 M45 | H22-G25 PolarHBondContact O-N 2.84Å; P23-G25 PolarHBondContact O-N 3.46Å; G25-M45 VanDerWaalsContact O-CB 3.31Å; G25-M45 WeakPolarHBondContact O-CB 3.42Å; G25-M45 WeakPolarHBondContact O-CG 3.37Å |
| 26 | T | 94.1 | Very high | 95.3 | Very high | 71 Ų | 71 | 28.4 Ų | 28.4 | 44% | 0.436 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -79.9 | -20.3 | -175.4 | 65.1 | 0 | 0 | 0 | 0 | 114 | D24 N44 M45 | D24-T26 HydrophobicContact CB-CG2 4.37Å; D24-T26 VanDerWaalsContact CG-OG1 3.25Å; D24-T26 PolarHBondContact O-N 3.46Å; D24-T26 WeakPolarHBondContact OD1-CB 2.98Å; D24-T26 WeakPolarHBondContact OD1-CG2 3.42Å; D24-T26 PolarHBondContact OD1-N 2.69Å; D24-T26 PolarHBondContact OD1-OG1 3.35Å; D24-T26 PolarHBondContact OD2-OG1 2.83Å; T26-N44 PolarHBondContact O-OD1 2.98Å; T26-M45 WeakPolarHBondContact O-CB 3.48Å; T26-M45 PolarHBondContact O-N 3.12Å |
| 27 | K | 95.8 | Very high | 95.1 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.017 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 167.3 | -172.5 | 58.6 | -167.6 | 166.9 | -172.6 | 0 | 112.1 | H22 I42 W43 L63 E119 | H22-K27 HydrophobicContact CB-CG 3.62Å; H22-K27 VanDerWaalsContact CB-O 3.24Å; H22-K27 WeakPolarHBondContact CB-O 3.47Å; H22-K27 PolarHBondContact N-O 3.4Å; K27-I42 HydrophobicContact CB-CG2 4.34Å; K27-I42 HydrophobicContact CD-CG2 4.1Å; K27-I42 HydrophobicContact CG-CG2 4.45Å; K27-W43 WeakPolarHBondContact CA-O 3.33Å; K27-W43 WeakPolarHBondContact CB-O 3.48Å; K27-L63 HydrophobicContact CB-CD1 3.8Å; K27-L63 HydrophobicContact CD-CD1 4.01Å; K27-E119 IonicContact NZ-OE1 3.44Å; K27-E119 PolarHBondContact NZ-OE1 3.14Å; K27-E119 IonicContact NZ-OE2 3.58Å; K27-E119 PolarHBondContact NZ-OE2 3Å |
| 28 | F | 98.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 154.3 | 176.2 | 66.5 | -81.3 | 0 | 0 | 0 | 111.4 | V9 V19 D20 I21 T30 I42 W43 M45 V48 L344 | V9-F28 HydrophobicContact CG1-CE2 3.84Å; V9-F28 HydrophobicContact CG1-CZ 3.88Å; V9-F28 HydrophobicContact CG2-CZ 3.78Å; V19-F28 HydrophobicContact CG2-CD2 4Å; D20-F28 CarbonylContact O-C 3.54Å; D20-F28 WeakPolarHBondContact O-CA 3.49Å; D20-F28 WeakPolarHBondContact O-CB 3.36Å; I21-F28 HydrophobicContact CG1-CB 4.36Å; F28-T30 HydrophobicContact CD2-CG2 4.01Å; F28-T30 HydrophobicContact CE2-CG2 3.83Å; F28-I42 CarbonylContact O-C 3.44Å; F28-I42 WeakPolarHBondContact O-CA 3.5Å; F28-W43 HydrophobicContact CD1-CB 3.91Å; F28-W43 HydrophobicContact CD2-CB 4.34Å; F28-W43 AromaticContact CD2-CD1 3.86Å; F28-W43 HydrophobicContact CD2-CG 4.47Å; F28-W43 HydrophobicContact CE1-CB 3.42Å; F28-W43 VanDerWaalsContact CE1-CB 3.42Å; F28-W43 HydrophobicContact CE1-CG 4.22Å; F28-W43 HydrophobicContact CE2-CB 3.89Å; F28-W43 AromaticContact CE2-CD1 3.36Å; F28-W43 AromaticContact CE2-CG 3.83Å; F28-W43 HydrophobicContact CE2-CG 3.83Å; F28-W43 HydrophobicContact CG-CB 4.37Å; F28-W43 HydrophobicContact CZ-CB 3.41Å; F28-W43 VanDerWaalsContact CZ-CB 3.41Å; F28-W43 AromaticContact CZ-CD1 3.74Å; F28-W43 AromaticContact CZ-CG 3.7Å; F28-W43 HydrophobicContact CZ-CG 3.7Å; F28-W43 PolarHBondContact N-O 3.19Å; F28-W43 PolarHBondContact O-N 3.1Å; F28-M45 HydrophobicContact CB-SD 4.24Å; F28-M45 HydrophobicContact CD1-CG 3.87Å; F28-M45 HydrophobicContact CD1-SD 3.35Å; F28-M45 WeakPolarHBondContact CD1-SD 3.45Å; F28-M45 HydrophobicContact CE1-SD 3.95Å; F28-M45 HydrophobicContact CG-SD 4.1Å; F28-V48 HydrophobicContact CE1-CG2 3.92Å; F28-V48 HydrophobicContact CZ-CG2 4.4Å; F28-L344 HydrophobicContact CB-CD2 3.88Å; F28-L344 HydrophobicContact CD1-CD2 4.16Å; F28-L344 HydrophobicContact CD2-CD2 3.4Å; F28-L344 VanDerWaalsContact CD2-CD2 3.4Å; F28-L344 HydrophobicContact CE2-CD2 3.84Å; F28-L344 HydrophobicContact CG-CD2 3.56Å; F28-L344 HydrophobicContact CZ-CD2 4.37Å |
| 29 | A | 98.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 147.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | V19 D20 V41 V76 W78 L85 | V19-A29 WeakPolarHBondContact CA-O 3.44Å; V19-A29 WeakPolarHBondContact CG2-O 3.42Å; D20-A29 PolarHBondContact N-O 2.88Å; D20-A29 PolarHBondContact O-N 3.3Å; A29-V41 CarbonylContact C-O 3.59Å; A29-V41 WeakPolarHBondContact CA-O 3.32Å; A29-V76 HydrophobicContact CB-CB 4.43Å; A29-V76 HydrophobicContact CB-CG2 4.24Å; A29-W78 HydrophobicContact CB-CZ2 3.95Å; A29-L85 HydrophobicContact CB-CD1 3.83Å; A29-L85 HydrophobicContact CB-CD2 3.91Å |
| 30 | T | 98.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 135.7 | 169.1 | 54.3 | 0 | 0 | 0 | 0 | 109.5 | V9 H11 I16 S18 V19 F28 V40 V41 W43 V352 | V9-T30 HydrophobicContact CG1-CG2 4.48Å; H11-T30 PolarHBondContact NE2-OG1 3.3Å; I16-T30 HydrophobicContact CD1-CG2 4.38Å; I16-T30 HydrophobicContact CG2-CG2 4.35Å; S18-T30 WeakPolarHBondContact O-CA 3.18Å; V19-T30 HydrophobicContact CG2-CG2 4.04Å; F28-T30 HydrophobicContact CD2-CG2 4.01Å; F28-T30 HydrophobicContact CE2-CG2 3.83Å; T30-V40 WeakPolarHBondContact O-CA 3.45Å; T30-V41 PolarHBondContact N-O 2.88Å; T30-V41 PolarHBondContact O-N 3.1Å; T30-V41 PolarHBondContact OG1-O 3Å; T30-W43 PolarHBondContact OG1-NE1 3.04Å; T30-V352 HydrophobicContact CG2-CG1 4.46Å |
| 31 | G | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 133.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | F17 S18 V73 | F17-G31 PolarHBondContact N-O 3.17Å; S18-G31 PolarHBondContact N-O 3.31Å; S18-G31 VanDerWaalsContact N-O 3.09Å; S18-G31 PolarHBondContact O-N 3.49Å; G31-V73 CarbonylContact C-O 3.56Å |
| 32 | G | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.6 | -163.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | P15 K39 V73 | P15-G32 VanDerWaalsContact O-CA 3.32Å; P15-G32 WeakPolarHBondContact O-CA 3.34Å; G32-K39 PolarHBondContact N-O 3.26Å; G32-K39 PolarHBondContact O-N 3.19Å; G32-V73 PolarHBondContact N-O 3.31Å; G32-V73 PolarHBondContact O-N 3.27Å; G32-V73 VanDerWaalsContact O-N 3.12Å |
| 33 | Q | 95.7 | Very high | 94.5 | Very high | 30 Ų | 30 | 27.9 Ų | 27.9 | 14% | 0.14 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 128.8 | 176.2 | 174.5 | 50.1 | 35.1 | 0 | 0 | 110.5 | K14 P15 F17 S37 C72 | K14-Q33 HydrophobicContact CB-CB 4.33Å; K14-Q33 HydrophobicContact CB-CG 4.49Å; K14-Q33 WeakPolarHBondContact CB-O 3.12Å; K14-Q33 HydrophobicContact CD-CG 4.3Å; P15-Q33 PolarHBondContact O-N 3.21Å; P15-Q33 VanDerWaalsContact O-N 3.08Å; F17-Q33 HydrophobicContact CE2-CB 4.47Å; Q33-S37 PolarHBondContact NE2-O 3.15Å; Q33-S37 VanDerWaalsContact NE2-O 3.15Å; Q33-S37 PolarHBondContact OE1-O 2.91Å; Q33-C72 PolarHBondContact OE1-SG 3.41Å |
| 34 | G | 90.7 | Very high | 94.6 | Very high | 5 Ų | 5 | 27.6 Ų | 27.6 | 5% | 0.052 | 15% | 0.152 | C | C | . | . | trans | -83 | -158.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113 | K14 S37 | K14-G34 WeakPolarHBondContact CD-O 3.31Å; K14-G34 WeakPolarHBondContact CE-O 3.45Å; K14-G34 WeakPolarHBondContact CG-O 3.41Å; K14-G34 PolarHBondContact NZ-O 2.88Å; G34-S37 WeakPolarHBondContact CA-O 3.46Å; G34-S37 PolarHBondContact N-O 2.96Å | ||
| 35 | Q | 86.6 | Confident | 94.9 | Very high | 138 Ų | 138 | 23.3 Ų | 23.3 | 65% | 0.645 | 13% | 0.129 | S | C | * | . | S | Bend | trans | -68.3 | -60.2 | 174.4 | -168.8 | 165.1 | -47.8 | 0 | 0 | 110.3 | K14 | K14-Q35 PolarHBondContact NZ-O 2.81Š|
| 36 | D | 85.1 | Confident | 95 | Very high | 141 Ų | 141 | 23.9 Ų | 23.9 | 75% | 0.754 | 13% | 0.13 | S | C | * | . | S | Bend | trans | -123.3 | -6.5 | -175.3 | -51 | -65.3 | 0 | 0 | 0 | 113.5 | ||
| 37 | S | 92.5 | Very high | 95.1 | Very high | 32 Ų | 32 | 20.6 Ų | 20.6 | 22% | 0.224 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -137.8 | 176.8 | -176.6 | 65.2 | 0 | 0 | 0 | 0 | 111.9 | Q33 G34 H69 | Q33-S37 PolarHBondContact NE2-O 3.15Å; Q33-S37 VanDerWaalsContact NE2-O 3.15Å; Q33-S37 PolarHBondContact OE1-O 2.91Å; G34-S37 WeakPolarHBondContact CA-O 3.46Å; G34-S37 PolarHBondContact N-O 2.96Å; S37-H69 WeakPolarHBondContact CB-O 3.44Å |
| 38 | G | 94 | Very high | 95 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 136.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | H69 A71 | G38-H69 PolarHBondContact N-O 2.91Å; G38-A71 WeakPolarHBondContact CA-O 3.06Å; G38-A71 PolarHBondContact N-O 3.23Å |
| 39 | K | 94.4 | Very high | 94.7 | Very high | 14 Ų | 14 | 24.6 Ų | 24.6 | 6% | 0.061 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 125.3 | -173.4 | -167.1 | 176.5 | -158.3 | -168.9 | 0 | 112.2 | H11 G32 V41 | H11-K39 PolarHBondContact CE1-O 2.87Å; G32-K39 PolarHBondContact N-O 3.26Å; G32-K39 PolarHBondContact O-N 3.19Å; K39-V41 HydrophobicContact CD-CG2 3.79Å; K39-V41 VanDerWaalsContact CE-CG2 3.46Å; K39-V41 HydrophobicContact CG-CG2 3.75Å |
| 40 | V | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 128.4 | 164.7 | -172.9 | 0 | 0 | 0 | 0 | 109 | T30 M66 V73 V76 L85 | T30-V40 WeakPolarHBondContact O-CA 3.45Å; V40-M66 HydrophobicContact CB-CB 4.36Å; V40-M66 HydrophobicContact CB-CE 3.98Å; V40-M66 HydrophobicContact CG1-CE 3.53Å; V40-M66 PolarHBondContact N-O 3.01Å; V40-M66 PolarHBondContact O-N 3.11Å; V40-V73 HydrophobicContact CG2-CB 4.49Å; V40-V73 HydrophobicContact CG2-CG1 4.13Å; V40-V73 HydrophobicContact CG2-CG2 3.94Å; V40-V76 HydrophobicContact CG1-CG1 4.13Å; V40-V76 HydrophobicContact CG2-CG1 4.37Å; V40-L85 HydrophobicContact CG1-CD2 4.02Å |
| 41 | V | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 131.3 | 176.3 | -165.5 | 0 | 0 | 0 | 0 | 110.2 | A29 T30 K39 W43 M62 C64 Q65 | A29-V41 CarbonylContact C-O 3.59Å; A29-V41 WeakPolarHBondContact CA-O 3.32Å; T30-V41 PolarHBondContact N-O 2.88Å; T30-V41 PolarHBondContact O-N 3.1Å; T30-V41 PolarHBondContact OG1-O 3Å; K39-V41 HydrophobicContact CD-CG2 3.79Å; K39-V41 VanDerWaalsContact CE-CG2 3.46Å; K39-V41 HydrophobicContact CG-CG2 3.75Å; V41-W43 HydrophobicContact CB-CD2 4.49Å; V41-W43 HydrophobicContact CB-CZ2 3.98Å; V41-W43 HydrophobicContact CG1-CD2 3.79Å; V41-W43 VanDerWaalsContact CG1-CE2 3.44Å; V41-W43 HydrophobicContact CG1-CE3 4.24Å; V41-W43 HydrophobicContact CG1-CG 4.31Å; V41-W43 HydrophobicContact CG1-CH2 4.17Å; V41-W43 HydrophobicContact CG1-CZ2 3.67Å; V41-W43 HydrophobicContact CG1-CZ3 4.43Å; V41-W43 HydrophobicContact CG2-CZ2 4.3Å; V41-M62 HydrophobicContact CG1-CE 4.14Å; V41-M62 HydrophobicContact CG1-CG 3.72Å; V41-M62 HydrophobicContact CG1-SD 4.06Å; V41-C64 WeakPolarHBondContact CA-O 3.36Å; V41-Q65 HydrophobicContact CG2-CG 4.37Å |
| 42 | I | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 125.7 | 171.4 | -58.9 | 170.8 | 0 | 0 | 0 | 107.8 | K27 F28 L63 C64 M66 W78 L85 W121 | K27-I42 HydrophobicContact CB-CG2 4.34Å; K27-I42 HydrophobicContact CD-CG2 4.1Å; K27-I42 HydrophobicContact CG-CG2 4.45Å; F28-I42 CarbonylContact O-C 3.44Å; F28-I42 WeakPolarHBondContact O-CA 3.5Å; I42-L63 HydrophobicContact CG2-CB 4.24Å; I42-L63 HydrophobicContact CG2-CD1 4.36Å; I42-L63 PolarHBondContact O-N 3.14Å; I42-C64 HydrophobicContact CB-CB 4.3Å; I42-C64 HydrophobicContact CD1-CB 4.46Å; I42-C64 PolarHBondContact N-O 3.01Å; I42-C64 PolarHBondContact O-N 2.93Å; I42-C64 VanDerWaalsContact O-N 3.11Å; I42-M66 HydrophobicContact CD1-CE 3.98Å; I42-M66 HydrophobicContact CG1-CE 4.35Å; I42-W78 HydrophobicContact CD1-CH2 4Å; I42-W78 HydrophobicContact CD1-CZ2 4.37Å; I42-W78 HydrophobicContact CG1-CZ2 4.4Å; I42-L85 HydrophobicContact CD1-CD2 4.25Å; I42-L85 HydrophobicContact CG1-CD2 4.39Å; I42-W121 HydrophobicContact CD1-CD2 3.7Å; I42-W121 HydrophobicContact CD1-CE3 4.4Å; I42-W121 HydrophobicContact CD1-CG 3.76Å; I42-W121 HydrophobicContact CD1-CZ2 4.27Å |
| 43 | W | 97.4 | Very high | 93.7 | Very high | 8 Ų | 8 | 42.8 Ų | 42.8 | 3% | 0.03 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 153.1 | -174.2 | -53.1 | 96.3 | 0 | 0 | 0 | 110.7 | W8 V9 K27 F28 T30 V41 K61 M62 | W8-W43 AromaticContact CE3-CE3 3.88Å; W8-W43 HydrophobicContact CE3-CE3 3.88Å; W8-W43 HydrophobicContact CE3-CZ3 4.01Å; W8-W43 HydrophobicContact CZ3-CB 4.41Å; W8-W43 HydrophobicContact CZ3-CD2 4.34Å; W8-W43 AromaticContact CZ3-CE3 3.7Å; W8-W43 HydrophobicContact CZ3-CE3 3.7Å; W8-W43 HydrophobicContact CZ3-CZ3 4.31Å; W8-W43 WeakPolarHBondContact O-CH2 3.41Å; V9-W43 HydrophobicContact CG1-CD2 4.3Å; V9-W43 HydrophobicContact CG1-CZ2 4.19Å; V9-W43 HydrophobicContact CG2-CD2 4.49Å; K27-W43 WeakPolarHBondContact CA-O 3.33Å; K27-W43 WeakPolarHBondContact CB-O 3.48Å; F28-W43 HydrophobicContact CD1-CB 3.91Å; F28-W43 HydrophobicContact CD2-CB 4.34Å; F28-W43 AromaticContact CD2-CD1 3.86Å; F28-W43 HydrophobicContact CD2-CG 4.47Å; F28-W43 HydrophobicContact CE1-CB 3.42Å; F28-W43 VanDerWaalsContact CE1-CB 3.42Å; F28-W43 HydrophobicContact CE1-CG 4.22Å; F28-W43 HydrophobicContact CE2-CB 3.89Å; F28-W43 AromaticContact CE2-CD1 3.36Å; F28-W43 AromaticContact CE2-CG 3.83Å; F28-W43 HydrophobicContact CE2-CG 3.83Å; F28-W43 HydrophobicContact CG-CB 4.37Å; F28-W43 HydrophobicContact CZ-CB 3.41Å; F28-W43 VanDerWaalsContact CZ-CB 3.41Å; F28-W43 AromaticContact CZ-CD1 3.74Å; F28-W43 AromaticContact CZ-CG 3.7Å; F28-W43 HydrophobicContact CZ-CG 3.7Å; F28-W43 PolarHBondContact N-O 3.19Å; F28-W43 PolarHBondContact O-N 3.1Å; T30-W43 PolarHBondContact OG1-NE1 3.04Å; V41-W43 HydrophobicContact CB-CD2 4.49Å; V41-W43 HydrophobicContact CB-CZ2 3.98Å; V41-W43 HydrophobicContact CG1-CD2 3.79Å; V41-W43 VanDerWaalsContact CG1-CE2 3.44Å; V41-W43 HydrophobicContact CG1-CE3 4.24Å; V41-W43 HydrophobicContact CG1-CG 4.31Å; V41-W43 HydrophobicContact CG1-CH2 4.17Å; V41-W43 HydrophobicContact CG1-CZ2 3.67Å; V41-W43 HydrophobicContact CG1-CZ3 4.43Å; V41-W43 HydrophobicContact CG2-CZ2 4.3Å; W43-K61 WeakPolarHBondContact CA-O 3.43Å; W43-M62 HydrophobicContact CE3-CB 3.93Å; W43-M62 HydrophobicContact CE3-CG 4.24Å; W43-M62 HydrophobicContact CH2-CE 3.85Å; W43-M62 HydrophobicContact CZ3-CB 4.01Å; W43-M62 HydrophobicContact CZ3-CE 3.78Å; W43-M62 HydrophobicContact CZ3-CG 4.3Å |
| 44 | N | 95.9 | Very high | 93.6 | Very high | 23 Ų | 23 | 44.4 Ų | 44.4 | 12% | 0.123 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 135.4 | 175.5 | -175.6 | -3.5 | 0 | 0 | 0 | 110.4 | T26 S46 P47 I59 P60 K61 L63 | T26-N44 PolarHBondContact O-OD1 2.98Å; N44-S46 PolarHBondContact OD1-N 2.91Å; N44-P47 HydrophobicContact CB-CG 4.39Å; N44-P47 WeakPolarHBondContact ND2-CD 3.3Å; N44-I59 WeakPolarHBondContact ND2-CG2 3.16Å; N44-P60 WeakPolarHBondContact CB-O 3.21Å; N44-P60 PolarHBondContact ND2-O 3.27Å; N44-P60 VanDerWaalsContact ND2-O 3.13Å; N44-K61 PolarHBondContact N-O 2.78Å; N44-L63 HydrophobicContact CB-CD1 4.19Å; N44-L63 HydrophobicContact CB-CD2 4.17Å; N44-L63 HydrophobicContact CB-CG 4.05Å |
| 45 | M | 95.8 | Very high | 93.7 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -79.6 | -27.6 | 175.4 | -79.7 | -67.8 | -70.5 | 0 | 0 | 113.1 | G25 T26 F28 V48 L49 F354 | G25-M45 VanDerWaalsContact O-CB 3.31Å; G25-M45 WeakPolarHBondContact O-CB 3.42Å; G25-M45 WeakPolarHBondContact O-CG 3.37Å; T26-M45 WeakPolarHBondContact O-CB 3.48Å; T26-M45 PolarHBondContact O-N 3.12Å; F28-M45 HydrophobicContact CB-SD 4.24Å; F28-M45 HydrophobicContact CD1-CG 3.87Å; F28-M45 HydrophobicContact CD1-SD 3.35Å; F28-M45 WeakPolarHBondContact CD1-SD 3.45Å; F28-M45 HydrophobicContact CE1-SD 3.95Å; F28-M45 HydrophobicContact CG-SD 4.1Å; M45-V48 WeakPolarHBondContact O-CA 3.17Å; M45-V48 WeakPolarHBondContact O-CB 3.45Å; M45-V48 PolarHBondContact O-N 3.43Å; M45-L49 HydrophobicContact CB-CD1 4.37Å; M45-L49 HydrophobicContact CE-CD1 4.4Å; M45-L49 HydrophobicContact CE-CD2 4.22Å; M45-L49 HydrophobicContact CE-CG 4.33Å; M45-L49 WeakPolarHBondContact O-CG 3.16Å; M45-L49 PolarHBondContact O-N 2.82Å; M45-L49 VanDerWaalsContact O-N 3.15Å; M45-F354 HydrophobicContact CE-CD2 4.11Å; M45-F354 HydrophobicContact CE-CE2 3.7Å; M45-F354 HydrophobicContact CE-CZ 4.19Å |
| 46 | S | 95.4 | Very high | 94 | Very high | 34 Ų | 34 | 46.5 Ų | 46.5 | 24% | 0.238 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.7 | -41.4 | -171.7 | 101.4 | 0 | 0 | 0 | 0 | 113.1 | N44 V48 L49 Q50 D53 | N44-S46 PolarHBondContact OD1-N 2.91Å; S46-V48 PolarHBondContact O-N 2.96Å; S46-V48 VanDerWaalsContact O-N 3.12Å; S46-L49 PolarHBondContact O-N 3.01Å; S46-Q50 PolarHBondContact O-N 3.36Å; S46-D53 WeakPolarHBondContact CB-OD2 3.47Å; S46-D53 PolarHBondContact OG-OD2 3.13Å |
| 47 | P | 95.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.6 | -2.1 | 170.8 | -21.2 | 36.4 | 0 | 0 | 0 | 115.5 | W8 N44 D53 E54 I59 K61 | W8-P47 HydrophobicContact CH2-CB 4.24Å; W8-P47 HydrophobicContact CZ2-CB 3.81Å; N44-P47 HydrophobicContact CB-CG 4.39Å; N44-P47 WeakPolarHBondContact ND2-CD 3.3Å; P47-D53 HydrophobicContact CB-CB 4.49Å; P47-D53 HydrophobicContact CG-CB 4.29Å; P47-E54 HydrophobicContact CB-CB 4.44Å; P47-I59 HydrophobicContact CG-CG2 3.68Å; P47-K61 HydrophobicContact CB-CG 4.14Å; P47-K61 HydrophobicContact CG-CG 4.23Å |
| 48 | V | 95.1 | Very high | 94 | Very high | 7 Ų | 7 | 54.3 Ų | 54.3 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -97.8 | -22.8 | 170.2 | -175.2 | 0 | 0 | 0 | 0 | 110.9 | L4 P6 W8 F28 M45 S46 F354 | L4-V48 WeakPolarHBondContact CD1-O 3.5Å; P6-V48 HydrophobicContact CB-CG2 4.28Å; P6-V48 HydrophobicContact CG-CG1 4.05Å; P6-V48 HydrophobicContact CG-CG2 4.12Å; W8-V48 HydrophobicContact CH2-CG2 3.6Å; W8-V48 HydrophobicContact CZ2-CG2 3.62Å; F28-V48 HydrophobicContact CE1-CG2 3.92Å; F28-V48 HydrophobicContact CZ-CG2 4.4Å; M45-V48 WeakPolarHBondContact O-CA 3.17Å; M45-V48 WeakPolarHBondContact O-CB 3.45Å; M45-V48 PolarHBondContact O-N 3.43Å; S46-V48 PolarHBondContact O-N 2.96Å; S46-V48 VanDerWaalsContact O-N 3.12Å; V48-F354 HydrophobicContact CG1-CB 3.73Å; V48-F354 HydrophobicContact CG1-CD1 4.5Å; V48-F354 HydrophobicContact CG1-CG 4.08Å |
| 49 | L | 92 | Very high | 93.9 | Very high | 82 Ų | 82 | 56.2 Ų | 56.2 | 43% | 0.429 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -99.1 | -28.5 | -177 | -62.6 | 175.2 | 0 | 0 | 0 | 113 | M45 S46 F354 | M45-L49 HydrophobicContact CB-CD1 4.37Å; M45-L49 HydrophobicContact CE-CD1 4.4Å; M45-L49 HydrophobicContact CE-CD2 4.22Å; M45-L49 HydrophobicContact CE-CG 4.33Å; M45-L49 WeakPolarHBondContact O-CG 3.16Å; M45-L49 PolarHBondContact O-N 2.82Å; M45-L49 VanDerWaalsContact O-N 3.15Å; S46-L49 PolarHBondContact O-N 3.01Å; L49-F354 HydrophobicContact CD2-CD1 4.02Å; L49-F354 HydrophobicContact CD2-CE1 3.3Å; L49-F354 HydrophobicContact CD2-CE2 4.45Å; L49-F354 HydrophobicContact CD2-CZ 3.56Å |
| 50 | Q | 92.1 | Very high | 93.8 | Very high | 111 Ų | 111 | 57.8 Ų | 57.8 | 52% | 0.519 | 29% | 0.291 | S | S | . | . | trans | -128.5 | 127.2 | -175.7 | -57.3 | -168.5 | 97.6 | 0 | 0 | 110.9 | S46 D52 D53 E54 | S46-Q50 PolarHBondContact O-N 3.36Å; Q50-D52 VanDerWaalsContact C-N 3.28Å; Q50-D52 PolarHBondContact O-N 2.93Å; Q50-D53 HydrophobicContact CB-CB 4.03Å; Q50-D53 PolarHBondContact NE2-OD2 2.75Å; Q50-D53 PolarHBondContact O-N 2.8Å; Q50-E54 PolarHBondContact O-N 2.68Å | ||
| 51 | E | 91.3 | Very high | 93.6 | Very high | 129 Ų | 129 | 60.8 Ų | 60.8 | 60% | 0.603 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -71.3 | -24.5 | -178.6 | -157 | -166.4 | 127.6 | 0 | 0 | 112.4 | E54 K55 | E51-E54 PolarHBondContact O-N 3.15Å; E51-K55 WeakPolarHBondContact O-CD 3.43Å; E51-K55 WeakPolarHBondContact O-CE 3.39Å; E51-K55 WeakPolarHBondContact O-CG 3.15Å; E51-K55 PolarHBondContact O-N 3.28Å; E51-K55 WeakPolarHBondContact OE1-CE 3.44Å; E51-K55 IonicContact OE1-NZ 2.68Å; E51-K55 PolarHBondContact OE1-NZ 3.36Å |
| 52 | D | 93.5 | Very high | 93.4 | Very high | 115 Ų | 115 | 62.3 Ų | 62.3 | 62% | 0.615 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -76.9 | -40.4 | 176.6 | -59.4 | -39.1 | 0 | 0 | 0 | 111 | Q50 E54 K55 D56 | Q50-D52 VanDerWaalsContact C-N 3.28Å; Q50-D52 PolarHBondContact O-N 2.93Å; D52-E54 PolarHBondContact O-N 2.9Å; D52-K55 PolarHBondContact O-N 2.96Å; D52-K55 IonicContact OD1-NZ 3.58Å; D52-D56 PolarHBondContact O-N 3.29Å |
| 53 | D | 93.6 | Very high | 93.3 | Very high | 27 Ų | 27 | 63 Ų | 63 | 14% | 0.144 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.1 | -24.1 | 169.1 | -65.5 | -0.6 | 0 | 0 | 0 | 112.3 | S46 P47 Q50 I59 | S46-D53 WeakPolarHBondContact CB-OD2 3.47Å; S46-D53 PolarHBondContact OG-OD2 3.13Å; P47-D53 HydrophobicContact CB-CB 4.49Å; P47-D53 HydrophobicContact CG-CB 4.29Å; Q50-D53 HydrophobicContact CB-CB 4.03Å; Q50-D53 PolarHBondContact NE2-OD2 2.75Å; Q50-D53 PolarHBondContact O-N 2.8Å; D53-I59 HydrophobicContact CB-CD1 4.01Å |
| 54 | E | 92.8 | Very high | 93 | Very high | 63 Ų | 63 | 62.7 Ų | 62.7 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -75.9 | -23.9 | 172.1 | -165.8 | 175 | -166.3 | 0 | 0 | 112.7 | W8 P47 Q50 E51 D52 K61 | W8-E54 PolarHBondContact NE1-OE1 2.86Å; P47-E54 HydrophobicContact CB-CB 4.44Å; Q50-E54 PolarHBondContact O-N 2.68Å; E51-E54 PolarHBondContact O-N 3.15Å; D52-E54 PolarHBondContact O-N 2.9Å; E54-K61 WeakPolarHBondContact O-CE 3.49Å; E54-K61 PolarHBondContact O-NZ 2.94Å |
| 55 | K | 92.6 | Very high | 92.9 | Very high | 123 Ų | 123 | 63 Ų | 63 | 54% | 0.535 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -93 | -24.6 | -179.7 | -67.5 | 160.3 | -165.9 | 155.9 | 0 | 113.3 | E51 D52 E57 | E51-K55 WeakPolarHBondContact O-CD 3.43Å; E51-K55 WeakPolarHBondContact O-CE 3.39Å; E51-K55 WeakPolarHBondContact O-CG 3.15Å; E51-K55 PolarHBondContact O-N 3.28Å; E51-K55 WeakPolarHBondContact OE1-CE 3.44Å; E51-K55 IonicContact OE1-NZ 2.68Å; E51-K55 PolarHBondContact OE1-NZ 3.36Å; D52-K55 PolarHBondContact O-N 2.96Å; D52-K55 IonicContact OD1-NZ 3.58Å; K55-E57 PolarHBondContact O-N 3.19Å |
| 56 | D | 92.9 | Very high | 92.7 | Very high | 64 Ų | 64 | 63.2 Ų | 63.2 | 34% | 0.342 | 32% | 0.316 | S | S | . | . | trans | -72.4 | 112.8 | 179.1 | -170.8 | 2 | 0 | 0 | 0 | 111.8 | D52 N58 I59 | D52-D56 PolarHBondContact O-N 3.29Å; D56-N58 PolarHBondContact O-N 3.42Å; D56-N58 VanDerWaalsContact OD1-CB 3.32Å; D56-N58 WeakPolarHBondContact OD1-CB 3.38Å; D56-N58 PolarHBondContact OD1-N 2.94Å; D56-N58 PolarHBondContact OD1-ND2 2.97Å; D56-I59 HydrophobicContact CB-CB 4.47Å; D56-I59 HydrophobicContact CB-CD1 4.12Å; D56-I59 HydrophobicContact CB-CG1 4.12Å; D56-I59 PolarHBondContact O-N 2.73Å; D56-I59 VanDerWaalsContact O-N 3.14Å | ||
| 57 | E | 89.1 | Confident | 92.5 | Very high | 196 Ų | 196 | 64 Ų | 64 | 92% | 0.916 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -17.4 | 175.5 | -61.9 | -163.6 | 145.8 | 0 | 0 | 113.2 | K55 I59 | K55-E57 PolarHBondContact O-N 3.19Å; E57-I59 VanDerWaalsContact C-N 3.34Å |
| 58 | N | 89.9 | Confident | 92.4 | Very high | 141 Ų | 141 | 68.5 Ų | 68.5 | 75% | 0.754 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -19.5 | 175.6 | -58.2 | -81.7 | 0 | 0 | 0 | 112.8 | D56 P60 | D56-N58 PolarHBondContact O-N 3.42Å; D56-N58 VanDerWaalsContact OD1-CB 3.32Å; D56-N58 WeakPolarHBondContact OD1-CB 3.38Å; D56-N58 PolarHBondContact OD1-N 2.94Å; D56-N58 PolarHBondContact OD1-ND2 2.97Å; N58-P60 WeakPolarHBondContact O-CD 3.35Å |
| 59 | I | 91.3 | Very high | 92.5 | Very high | 40 Ų | 40 | 68.2 Ų | 68.2 | 21% | 0.205 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -92.5 | 113.2 | -177.2 | -63.7 | -179.7 | 0 | 0 | 0 | 109.9 | N44 P47 D53 D56 E57 K61 | N44-I59 WeakPolarHBondContact ND2-CG2 3.16Å; P47-I59 HydrophobicContact CG-CG2 3.68Å; D53-I59 HydrophobicContact CB-CD1 4.01Å; D56-I59 HydrophobicContact CB-CB 4.47Å; D56-I59 HydrophobicContact CB-CD1 4.12Å; D56-I59 HydrophobicContact CB-CG1 4.12Å; D56-I59 PolarHBondContact O-N 2.73Å; D56-I59 VanDerWaalsContact O-N 3.14Å; E57-I59 VanDerWaalsContact C-N 3.34Å; I59-K61 PolarHBondContact O-N 3.12Å |
| 60 | P | 91.7 | Very high | 92.6 | Very high | 48 Ų | 48 | 71 Ų | 71 | 31% | 0.312 | 36% | 0.355 | S | S | . | . | trans | -72.3 | 118.5 | -176 | 28.4 | -33.9 | 0 | 0 | 0 | 110.9 | N44 N58 L63 V118 | N44-P60 WeakPolarHBondContact CB-O 3.21Å; N44-P60 PolarHBondContact ND2-O 3.27Å; N44-P60 VanDerWaalsContact ND2-O 3.13Å; N58-P60 WeakPolarHBondContact O-CD 3.35Å; P60-L63 HydrophobicContact CB-CD2 4.43Å; P60-L63 HydrophobicContact CG-CD2 4.03Å; P60-V118 HydrophobicContact CB-CG2 3.76Å; P60-V118 HydrophobicContact CG-CB 4.49Å; P60-V118 HydrophobicContact CG-CG1 4.19Å; P60-V118 HydrophobicContact CG-CG2 4.1Å | ||
| 61 | K | 93.7 | Very high | 92.7 | Very high | 62 Ų | 62 | 67.2 Ų | 67.2 | 27% | 0.27 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -73 | -41.3 | 176.7 | -62.7 | -173.3 | 179.7 | -171.7 | 0 | 112.2 | W8 W43 N44 P47 E54 I59 | W8-K61 HydrophobicContact CD2-CB 4.11Å; W8-K61 HydrophobicContact CD2-CD 3.8Å; W8-K61 HydrophobicContact CD2-CG 4.39Å; W8-K61 HydrophobicContact CE3-CB 3.68Å; W8-K61 HydrophobicContact CE3-CD 4.27Å; W8-K61 HydrophobicContact CE3-CG 4.43Å; W8-K61 HydrophobicContact CG-CD 3.95Å; W8-K61 HydrophobicContact CH2-CB 4.1Å; W8-K61 HydrophobicContact CZ2-CD 4.44Å; W8-K61 HydrophobicContact CZ3-CB 3.67Å; W8-K61 HydrophobicContact CZ3-CG 4.5Å; W8-K61 WeakPolarHBondContact CZ3-O 3.35Å; W43-K61 WeakPolarHBondContact CA-O 3.43Å; N44-K61 PolarHBondContact N-O 2.78Å; P47-K61 HydrophobicContact CB-CG 4.14Å; P47-K61 HydrophobicContact CG-CG 4.23Å; E54-K61 WeakPolarHBondContact O-CE 3.49Å; E54-K61 PolarHBondContact O-NZ 2.94Å; I59-K61 PolarHBondContact O-N 3.12Å |
| 62 | M | 93.6 | Very high | 93 | Very high | 32 Ų | 32 | 62.3 Ų | 62.3 | 16% | 0.158 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 130.6 | 170 | -173.2 | -173.9 | -62.8 | 0 | 0 | 109.2 | V41 W43 Q65 L115 | V41-M62 HydrophobicContact CG1-CE 4.14Å; V41-M62 HydrophobicContact CG1-CG 3.72Å; V41-M62 HydrophobicContact CG1-SD 4.06Å; W43-M62 HydrophobicContact CE3-CB 3.93Å; W43-M62 HydrophobicContact CE3-CG 4.24Å; W43-M62 HydrophobicContact CH2-CE 3.85Å; W43-M62 HydrophobicContact CZ3-CB 4.01Å; W43-M62 HydrophobicContact CZ3-CE 3.78Å; W43-M62 HydrophobicContact CZ3-CG 4.3Å; M62-Q65 HydrophobicContact SD-CB 4.1Å; M62-L115 HydrophobicContact CE-CD1 4.19Å; M62-L115 HydrophobicContact CE-CD2 4.26Å; M62-L115 HydrophobicContact SD-CD1 4.46Å; M62-L115 HydrophobicContact SD-CD2 4.31Å |
| 63 | L | 93.6 | Very high | 93.2 | Very high | 15 Ų | 15 | 56.8 Ų | 56.8 | 8% | 0.079 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -43.2 | 178.3 | -64.1 | 177.9 | 0 | 0 | 0 | 111.9 | K27 I42 N44 P60 V118 E119 | K27-L63 HydrophobicContact CB-CD1 3.8Å; K27-L63 HydrophobicContact CD-CD1 4.01Å; I42-L63 HydrophobicContact CG2-CB 4.24Å; I42-L63 HydrophobicContact CG2-CD1 4.36Å; I42-L63 PolarHBondContact O-N 3.14Å; N44-L63 HydrophobicContact CB-CD1 4.19Å; N44-L63 HydrophobicContact CB-CD2 4.17Å; N44-L63 HydrophobicContact CB-CG 4.05Å; P60-L63 HydrophobicContact CB-CD2 4.43Å; P60-L63 HydrophobicContact CG-CD2 4.03Å; L63-V118 PolarHBondContact O-N 3.31Å; L63-E119 HydrophobicContact CB-CB 4.38Å; L63-E119 HydrophobicContact CB-CG 4.15Å; L63-E119 PolarHBondContact O-N 3.06Å |
| 64 | C | 92.8 | Very high | 93.4 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.014 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 137.2 | 178.5 | -169 | 0 | 0 | 0 | 0 | 111.5 | V41 I42 N117 E119 | V41-C64 WeakPolarHBondContact CA-O 3.36Å; I42-C64 HydrophobicContact CB-CB 4.3Å; I42-C64 HydrophobicContact CD1-CB 4.46Å; I42-C64 PolarHBondContact N-O 3.01Å; I42-C64 PolarHBondContact O-N 2.93Å; I42-C64 VanDerWaalsContact O-N 3.11Å; C64-N117 WeakPolarHBondContact CA-OD1 3.34Å; C64-E119 HydrophobicContact CB-CB 4.42Å; C64-E119 WeakPolarHBondContact CB-O 3.38Å; C64-E119 PolarHBondContact SG-O 3.21Å; C64-E119 VanDerWaalsContact SG-O 3.32Å |
| 65 | Q | 92.7 | Very high | 93.7 | Very high | 28 Ų | 28 | 52.5 Ų | 52.5 | 13% | 0.131 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 139 | 165.3 | -176.7 | 176 | -61.7 | 0 | 0 | 110.2 | V41 M62 D67 N117 | V41-Q65 HydrophobicContact CG2-CG 4.37Å; M62-Q65 HydrophobicContact SD-CB 4.1Å; Q65-D67 WeakPolarHBondContact CG-OD2 3.24Å; Q65-D67 PolarHBondContact NE2-OD1 2.7Å; Q65-D67 PolarHBondContact NE2-OD2 3.21Å; Q65-N117 PolarHBondContact N-OD1 2.94Å; Q65-N117 PolarHBondContact O-ND2 3.25Å |
| 66 | M | 92.1 | Very high | 94 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 4% | 0.039 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 115.8 | -179.6 | -55.6 | 177.2 | -63.9 | 0 | 0 | 109.5 | V40 I42 L85 W97 W121 | V40-M66 HydrophobicContact CB-CB 4.36Å; V40-M66 HydrophobicContact CB-CE 3.98Å; V40-M66 HydrophobicContact CG1-CE 3.53Å; V40-M66 PolarHBondContact N-O 3.01Å; V40-M66 PolarHBondContact O-N 3.11Å; I42-M66 HydrophobicContact CD1-CE 3.98Å; I42-M66 HydrophobicContact CG1-CE 4.35Å; M66-L85 HydrophobicContact CE-CD2 4.06Å; M66-W97 HydrophobicContact CB-CH2 3.77Å; M66-W97 HydrophobicContact CB-CZ2 4.34Å; M66-W97 HydrophobicContact CB-CZ3 3.94Å; M66-W97 HydrophobicContact CE-CD2 4.03Å; M66-W97 HydrophobicContact CE-CE3 4.24Å; M66-W97 HydrophobicContact CE-CG 4.28Å; M66-W97 HydrophobicContact CG-CE3 4.41Å; M66-W97 HydrophobicContact CG-CH2 4.4Å; M66-W97 HydrophobicContact CG-CZ3 4.07Å; M66-W97 HydrophobicContact SD-CD2 3.7Å; M66-W97 HydrophobicContact SD-CE3 3.3Å; M66-W97 HydrophobicContact SD-CG 4.31Å; M66-W97 HydrophobicContact SD-CH2 4.14Å; M66-W97 HydrophobicContact SD-CZ3 3.55Å; M66-W97 VanDerWaalsContact SD-CZ3 3.55Å; M66-W121 HydrophobicContact SD-CB 3.37Å; M66-W121 WeakPolarHBondContact SD-CB 3.46Å; M66-W121 HydrophobicContact SD-CG 4.26Å |
| 67 | D | 91.1 | Very high | 94.2 | Very high | 51 Ų | 51 | 44.3 Ų | 44.3 | 27% | 0.273 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 24.4 | -170.3 | -52.7 | -63.2 | 0 | 0 | 0 | 112.6 | Q65 H69 | Q65-D67 WeakPolarHBondContact CG-OD2 3.24Å; Q65-D67 PolarHBondContact NE2-OD1 2.7Å; Q65-D67 PolarHBondContact NE2-OD2 3.21Å; D67-H69 VanDerWaalsContact C-N 3.34Å; D67-H69 PolarHBondContact O-N 3.38Å |
| 68 | N | 93.5 | Very high | 94.7 | Very high | 95 Ų | 95 | 35.5 Ų | 35.5 | 51% | 0.508 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | -19.1 | -173.2 | -60 | 70.7 | 0 | 0 | 0 | 114.5 | M95 W97 | N68-M95 HydrophobicContact CB-CE 4.2Å; N68-M95 HydrophobicContact CB-SD 3.86Å; N68-M95 WeakPolarHBondContact O-CE 3.4Å; N68-W97 HydrophobicContact CB-CH2 3.79Å; N68-W97 WeakPolarHBondContact OD1-CH2 3.45Å |
| 69 | H | 95.9 | Very high | 95 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 131.6 | 175.4 | -86.3 | -80.3 | 0 | 0 | 0 | 109.8 | S37 G38 D67 A71 V73 S87 D91 | S37-H69 WeakPolarHBondContact CB-O 3.44Å; G38-H69 PolarHBondContact N-O 2.91Å; D67-H69 VanDerWaalsContact C-N 3.34Å; D67-H69 PolarHBondContact O-N 3.38Å; H69-A71 VanDerWaalsContact C-N 3.28Å; H69-A71 PolarHBondContact O-N 3.32Å; H69-V73 HydrophobicContact CB-CG2 3.77Å; H69-S87 PolarHBondContact CD2-OG 2.85Å; H69-S87 PolarHBondContact NE2-O 2.91Å; H69-S87 PolarHBondContact NE2-OG 3.18Å; H69-D91 WeakPolarHBondContact CA-OD2 3.32Å; H69-D91 IonicContact CE1-OD1 2.65Å; H69-D91 IonicContact CG-OD2 3.69Å; H69-D91 VanDerWaalsContact ND1-CG 3.3Å; H69-D91 IonicContact ND1-OD1 3.68Å; H69-D91 PolarHBondContact ND1-OD1 3.4Å; H69-D91 IonicContact ND1-OD2 3.81Å; H69-D91 PolarHBondContact ND1-OD2 2.74Å |
| 70 | L | 94.6 | Very high | 95 | Very high | 140 Ų | 140 | 31.2 Ų | 31.2 | 73% | 0.733 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -80.8 | -8.4 | -172.9 | -60.3 | -179.7 | 0 | 0 | 0 | 113.8 | D91 | L70-D91 HydrophobicContact CB-CB 3.97Å; L70-D91 PolarHBondContact N-OD2 2.92Å |
| 71 | A | 95.4 | Very high | 94.9 | Very high | 31 Ų | 31 | 32.3 Ų | 32.3 | 26% | 0.256 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -154.6 | 179.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | G38 H69 D90 D91 | G38-A71 WeakPolarHBondContact CA-O 3.06Å; G38-A71 PolarHBondContact N-O 3.23Å; H69-A71 VanDerWaalsContact C-N 3.28Å; H69-A71 PolarHBondContact O-N 3.32Å; A71-D90 HydrophobicContact CB-CB 3.68Å; A71-D91 HydrophobicContact CB-CB 4.41Å |
| 72 | C | 96.4 | Very high | 94.8 | Very high | 26 Ų | 26 | 29.6 Ų | 29.6 | 18% | 0.176 | 17% | 0.167 | C | C | . | . | trans | -45.4 | 138.6 | -168.8 | -44.4 | 0 | 0 | 0 | 0 | 114.4 | F17 Q33 G89 D90 | F17-C72 HydrophobicContact CD2-CB 4.47Å; F17-C72 HydrophobicContact CE2-CB 4.02Å; Q33-C72 PolarHBondContact OE1-SG 3.41Å; C72-G89 CarbonylContact O-C 3.44Å; C72-G89 WeakPolarHBondContact O-CA 3.31Å; C72-D90 HydrophobicContact CB-CB 4.49Å; C72-D90 VanDerWaalsContact CB-OD2 3.22Å; C72-D90 WeakPolarHBondContact CB-OD2 3.35Å; C72-D90 PolarHBondContact O-N 2.88Å; C72-D90 PolarHBondContact SG-OD2 2.94Å | ||
| 73 | V | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 112.6 | 171.1 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | G31 G32 V40 H69 V76 | G31-V73 CarbonylContact C-O 3.56Å; G32-V73 PolarHBondContact N-O 3.31Å; G32-V73 PolarHBondContact O-N 3.27Å; G32-V73 VanDerWaalsContact O-N 3.12Å; V40-V73 HydrophobicContact CG2-CB 4.49Å; V40-V73 HydrophobicContact CG2-CG1 4.13Å; V40-V73 HydrophobicContact CG2-CG2 3.94Å; H69-V73 HydrophobicContact CB-CG2 3.77Å; V73-V76 HydrophobicContact CG1-CG1 4.01Å |
| 74 | N | 98.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | -29 | -176.3 | -68.1 | -45.9 | 0 | 0 | 0 | 113.6 | S18 G88 D90 V134 R227 | S18-N74 WeakPolarHBondContact CB-O 3.17Å; N74-G88 PolarHBondContact N-O 2.72Å; N74-D90 PolarHBondContact ND2-OD1 2.81Å; N74-V134 WeakPolarHBondContact CB-O 3.17Å; N74-V134 PolarHBondContact ND2-O 2.8Å; N74-R227 PolarHBondContact O-NH2 3.32Å |
| 75 | C | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 141.5 | -179.6 | -161.7 | 0 | 0 | 0 | 0 | 112.4 | S87 G88 D136 V137 | C75-S87 CarbonylContact O-C 3.59Å; C75-S87 VanDerWaalsContact O-CA 3.26Å; C75-S87 WeakPolarHBondContact O-CA 3.37Å; C75-G88 PolarHBondContact N-O 2.88Å; C75-G88 PolarHBondContact O-N 3.43Å; C75-D136 PolarHBondContact SG-OD1 2.86Å; C75-V137 HydrophobicContact CB-CG2 4.18Å |
| 76 | V | 98.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 133.7 | 165.9 | -70.2 | 0 | 0 | 0 | 0 | 109.4 | S18 A29 V40 V73 L85 A86 | S18-V76 PolarHBondContact OG-N 3.11Å; S18-V76 PolarHBondContact OG-O 2.86Å; A29-V76 HydrophobicContact CB-CB 4.43Å; A29-V76 HydrophobicContact CB-CG2 4.24Å; V40-V76 HydrophobicContact CG1-CG1 4.13Å; V40-V76 HydrophobicContact CG2-CG1 4.37Å; V73-V76 HydrophobicContact CG1-CG1 4.01Å; V76-L85 HydrophobicContact CB-CD1 4.26Å; V76-A86 CarbonylContact C-O 3.45Å; V76-A86 VanDerWaalsContact CA-O 3.3Å; V76-A86 WeakPolarHBondContact CA-O 3.45Å |
| 77 | R | 98.4 | Very high | 95.8 | Very high | 14 Ų | 14 | 33.1 Ų | 33.1 | 5% | 0.053 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 131.1 | 174.5 | -63.6 | -61.1 | 169.1 | -139.1 | -4 | 113.7 | V19 D20 A86 V137 W139 D333 | V19-R77 PolarHBondContact O-NH1 3.01Å; V19-R77 VanDerWaalsContact O-NH1 3.11Å; D20-R77 VanDerWaalsContact OD2-CA 3.29Å; D20-R77 WeakPolarHBondContact OD2-CA 3.31Å; R77-A86 PolarHBondContact N-O 3.07Å; R77-A86 PolarHBondContact O-N 3.02Å; R77-V137 HydrophobicContact CB-CG2 4.18Å; R77-V137 HydrophobicContact CG-CG2 3.95Å; R77-V137 WeakPolarHBondContact CG-O 3.41Å; R77-W139 PolarHBondContact O-NE1 2.87Å; R77-D333 IonicContact CZ-OD1 3.36Å; R77-D333 IonicContact CZ-OD2 2.71Å; R77-D333 VanDerWaalsContact CZ-OD2 3.24Å; R77-D333 IonicContact NH1-OD1 2.63Å; R77-D333 IonicContact NH1-OD2 3.62Å; R77-D333 PolarHBondContact NH1-OD2 2.98Å; R77-D333 VanDerWaalsContact NH2-CG 3.25Å; R77-D333 IonicContact NH2-OD1 2.7Å; R77-D333 PolarHBondContact NH2-OD1 3.19Å; R77-D333 IonicContact NH2-OD2 3.75Å; R77-D333 PolarHBondContact NH2-OD2 2.83Å |
| 78 | W | 98.2 | Very high | 96.1 | Very high | 12 Ų | 12 | 30.7 Ų | 30.7 | 5% | 0.045 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 144.7 | 167.2 | -66.4 | 105.5 | 0 | 0 | 0 | 111 | D20 I21 H22 A29 I42 L85 W121 W139 | D20-W78 PolarHBondContact O-NE1 2.86Å; D20-W78 PolarHBondContact OD2-N 2.78Å; I21-W78 VanDerWaalsContact C-CD1 3.41Å; I21-W78 VanDerWaalsContact O-CD1 3.3Å; H22-W78 HydrophobicContact CB-CD2 4.19Å; H22-W78 HydrophobicContact CB-CG 4.4Å; H22-W78 HydrophobicContact CB-CZ2 4.26Å; H22-W78 AromaticContact CD2-CD2 3.67Å; H22-W78 AromaticContact CD2-CE2 3.93Å; H22-W78 AromaticContact CD2-CE3 3.52Å; H22-W78 AromaticContact CD2-CH2 3.9Å; H22-W78 AromaticContact CD2-CZ3 3.63Å; A29-W78 HydrophobicContact CB-CZ2 3.95Å; I42-W78 HydrophobicContact CD1-CH2 4Å; I42-W78 HydrophobicContact CD1-CZ2 4.37Å; I42-W78 HydrophobicContact CG1-CZ2 4.4Å; W78-L85 HydrophobicContact CD2-CB 4.43Å; W78-L85 HydrophobicContact CD2-CD1 3.84Å; W78-L85 HydrophobicContact CE3-CB 3.81Å; W78-L85 HydrophobicContact CE3-CD1 4.1Å; W78-L85 HydrophobicContact CG-CD1 4.26Å; W78-L85 HydrophobicContact CH2-CB 4.05Å; W78-L85 HydrophobicContact CH2-CD1 4.47Å; W78-L85 HydrophobicContact CH2-CD2 4.22Å; W78-L85 HydrophobicContact CH2-CG 4.49Å; W78-L85 HydrophobicContact CZ2-CD1 4.23Å; W78-L85 HydrophobicContact CZ2-CD2 4.31Å; W78-L85 HydrophobicContact CZ3-CB 3.61Å; W78-L85 HydrophobicContact CZ3-CD1 4.41Å; W78-L85 HydrophobicContact CZ3-CG 4.42Å; W78-W121 AromaticContact CH2-CH2 3.55Å; W78-W121 HydrophobicContact CH2-CH2 3.55Å; W78-W121 AromaticContact CH2-CZ2 3.8Å; W78-W121 HydrophobicContact CH2-CZ2 3.8Å; W78-W121 HydrophobicContact CH2-CZ3 4.01Å; W78-W121 AromaticContact CZ3-CH2 3.35Å; W78-W121 HydrophobicContact CZ3-CH2 3.35Å; W78-W121 HydrophobicContact CZ3-CZ2 4.08Å; W78-W121 AromaticContact CZ3-CZ3 3.66Å; W78-W121 HydrophobicContact CZ3-CZ3 3.66Å; W78-W139 VanDerWaalsContact C-CD1 3.46Å; W78-W139 PolarHBondContact O-NE1 2.8Å |
| 79 | S | 96.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -66.5 | 150.8 | 161.6 | 74.9 | 0 | 0 | 0 | 0 | 108.9 | P23 S81 G82 M83 Y84 D143 | P23-S79 WeakPolarHBondContact CG-O 3.32Å; S79-S81 PolarHBondContact O-N 2.97Å; S79-S81 VanDerWaalsContact O-N 3.16Å; S79-S81 PolarHBondContact OG-OG 2.7Å; S79-G82 WeakPolarHBondContact O-CA 2.93Å; S79-G82 PolarHBondContact O-N 2.85Å; S79-G82 PolarHBondContact OG-N 3.17Å; S79-M83 PolarHBondContact OG-N 3.07Å; S79-Y84 PolarHBondContact N-O 2.77Å; S79-Y84 PolarHBondContact OG-N 2.59Å; S79-Y84 VanDerWaalsContact OG-N 3.08Å; S79-Y84 PolarHBondContact OG-O 3.1Å; S79-D143 VanDerWaalsContact CB-OD2 3.25Å; S79-D143 WeakPolarHBondContact CB-OD2 3.47Å; S79-D143 PolarHBondContact OG-OD2 3.13Å | ||
| 80 | N | 90.8 | Very high | 96.4 | Very high | 91 Ų | 91 | 28.5 Ų | 28.5 | 49% | 0.487 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -27.6 | -177.4 | -61 | -89.4 | 0 | 0 | 0 | 111.8 | P23 G82 S140 D143 | P23-N80 WeakPolarHBondContact CG-O 3.49Å; N80-G82 VanDerWaalsContact C-N 3.34Å; N80-S140 PolarHBondContact ND2-O 2.87Å; N80-D143 WeakPolarHBondContact CB-OD1 3.37Å; N80-D143 VanDerWaalsContact N-CG 3.33Å; N80-D143 PolarHBondContact N-OD1 3.28Å; N80-D143 PolarHBondContact N-OD2 2.65Å; N80-D143 VanDerWaalsContact N-OD2 3.07Å; N80-D143 PolarHBondContact ND2-OD1 3.32Å |
| 81 | S | 89.3 | Confident | 96.5 | Very high | 70 Ų | 70 | 23 Ų | 23 | 49% | 0.49 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -9.3 | 171.1 | 55.8 | 0 | 0 | 0 | 0 | 115.5 | S79 M83 D143 | S79-S81 PolarHBondContact O-N 2.97Å; S79-S81 VanDerWaalsContact O-N 3.16Å; S79-S81 PolarHBondContact OG-OG 2.7Å; S81-M83 PolarHBondContact O-N 3.4Å; S81-D143 WeakPolarHBondContact CB-OD2 3.42Å; S81-D143 PolarHBondContact N-OD2 3.45Å; S81-D143 PolarHBondContact OG-OD2 2.98Å |
| 82 | G | 92.8 | Very high | 96.6 | Very high | 6 Ų | 6 | 25.7 Ų | 25.7 | 6% | 0.062 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 69.3 | -8.2 | -172 | 0 | 0 | 0 | 0 | 0 | 115 | H22 S79 N80 Y84 | H22-G82 PolarHBondContact NE2-O 2.89Å; S79-G82 WeakPolarHBondContact O-CA 2.93Å; S79-G82 PolarHBondContact O-N 2.85Å; S79-G82 PolarHBondContact OG-N 3.17Å; N80-G82 VanDerWaalsContact C-N 3.34Å; G82-Y84 VanDerWaalsContact C-N 3.25Å; G82-Y84 PolarHBondContact O-N 2.89Å |
| 83 | M | 92.6 | Very high | 96.6 | Very high | 99 Ų | 99 | 25.5 Ų | 25.5 | 49% | 0.488 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -67 | -23 | -173.9 | -68.1 | -58.6 | -60.5 | 0 | 0 | 114 | S79 S81 | S79-M83 PolarHBondContact OG-N 3.07Å; S81-M83 PolarHBondContact O-N 3.4Å |
| 84 | Y | 96.9 | Very high | 96.6 | Very high | 60 Ų | 60 | 25.5 Ų | 25.5 | 24% | 0.235 | 13% | 0.131 | C | C | . | . | trans | -134.9 | 144.8 | 179.9 | -58.5 | -74 | 0 | 0 | 0 | 112.2 | S79 G82 V96 W97 K98 V124 W139 | S79-Y84 PolarHBondContact N-O 2.77Å; S79-Y84 PolarHBondContact OG-N 2.59Å; S79-Y84 VanDerWaalsContact OG-N 3.08Å; S79-Y84 PolarHBondContact OG-O 3.1Å; G82-Y84 VanDerWaalsContact C-N 3.25Å; G82-Y84 PolarHBondContact O-N 2.89Å; Y84-V96 HydrophobicContact CD1-CG1 3.86Å; Y84-V96 HydrophobicContact CG-CG1 4.16Å; Y84-W97 VanDerWaalsContact CA-O 3.3Å; Y84-W97 WeakPolarHBondContact CA-O 3.38Å; Y84-K98 HydrophobicContact CD1-CB 4.2Å; Y84-K98 HydrophobicContact CD1-CD 4.47Å; Y84-K98 HydrophobicContact CD1-CG 4.41Å; Y84-K98 HydrophobicContact CE1-CB 4.21Å; Y84-K98 HydrophobicContact CE1-CD 3.76Å; Y84-K98 HydrophobicContact CE1-CG 4.18Å; Y84-K98 PolarHBondContact OH-NZ 2.66Å; Y84-K98 VanDerWaalsContact OH-NZ 3.1Å; Y84-V124 HydrophobicContact CD1-CG2 4.23Å; Y84-V124 HydrophobicContact CE1-CG2 4.13Å; Y84-W139 HydrophobicContact CD2-CH2 4.17Å; Y84-W139 HydrophobicContact CG-CH2 4.08Å | ||
| 85 | L | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 133.5 | 161.3 | -179.1 | 62.6 | 0 | 0 | 0 | 107.6 | A29 V40 I42 M66 V76 W78 V96 W97 | A29-L85 HydrophobicContact CB-CD1 3.83Å; A29-L85 HydrophobicContact CB-CD2 3.91Å; V40-L85 HydrophobicContact CG1-CD2 4.02Å; I42-L85 HydrophobicContact CD1-CD2 4.25Å; I42-L85 HydrophobicContact CG1-CD2 4.39Å; M66-L85 HydrophobicContact CE-CD2 4.06Å; V76-L85 HydrophobicContact CB-CD1 4.26Å; W78-L85 HydrophobicContact CD2-CB 4.43Å; W78-L85 HydrophobicContact CD2-CD1 3.84Å; W78-L85 HydrophobicContact CE3-CB 3.81Å; W78-L85 HydrophobicContact CE3-CD1 4.1Å; W78-L85 HydrophobicContact CG-CD1 4.26Å; W78-L85 HydrophobicContact CH2-CB 4.05Å; W78-L85 HydrophobicContact CH2-CD1 4.47Å; W78-L85 HydrophobicContact CH2-CD2 4.22Å; W78-L85 HydrophobicContact CH2-CG 4.49Å; W78-L85 HydrophobicContact CZ2-CD1 4.23Å; W78-L85 HydrophobicContact CZ2-CD2 4.31Å; W78-L85 HydrophobicContact CZ3-CB 3.61Å; W78-L85 HydrophobicContact CZ3-CD1 4.41Å; W78-L85 HydrophobicContact CZ3-CG 4.42Å; L85-V96 CarbonylContact O-C 3.55Å; L85-V96 WeakPolarHBondContact O-CA 3.33Å; L85-W97 HydrophobicContact CB-CB 4.22Å; L85-W97 PolarHBondContact N-O 3.33Å; L85-W97 VanDerWaalsContact N-O 3.09Å; L85-W97 PolarHBondContact O-N 3.13Å |
| 86 | A | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 137.4 | 166 | 0 | 0 | 0 | 0 | 0 | 109.2 | V76 R77 I94 M95 V137 W139 L146 | V76-A86 CarbonylContact C-O 3.45Å; V76-A86 VanDerWaalsContact CA-O 3.3Å; V76-A86 WeakPolarHBondContact CA-O 3.45Å; R77-A86 PolarHBondContact N-O 3.07Å; R77-A86 PolarHBondContact O-N 3.02Å; A86-I94 HydrophobicContact CB-CG2 4.44Å; A86-M95 CarbonylContact C-O 3.57Å; A86-M95 WeakPolarHBondContact CA-O 3.39Å; A86-V137 HydrophobicContact CB-CG2 4.08Å; A86-W139 HydrophobicContact CB-CZ2 3.86Å; A86-L146 HydrophobicContact CB-CD1 4.15Å; A86-L146 HydrophobicContact CB-CD2 4.09Å |
| 87 | S | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 140.9 | 170.1 | 61.8 | 0 | 0 | 0 | 0 | 111.1 | H69 C75 I94 M95 W97 | H69-S87 PolarHBondContact CD2-OG 2.85Å; H69-S87 PolarHBondContact NE2-O 2.91Å; H69-S87 PolarHBondContact NE2-OG 3.18Å; C75-S87 CarbonylContact O-C 3.59Å; C75-S87 VanDerWaalsContact O-CA 3.26Å; C75-S87 WeakPolarHBondContact O-CA 3.37Å; S87-I94 CarbonylContact O-C 3.58Å; S87-I94 VanDerWaalsContact O-CA 3.25Å; S87-I94 WeakPolarHBondContact O-CA 3.3Å; S87-I94 WeakPolarHBondContact O-CG2 3.47Å; S87-M95 PolarHBondContact N-O 2.76Å; S87-M95 PolarHBondContact O-N 3.38Å; S87-W97 PolarHBondContact OG-NE1 3.32Å |
| 88 | G | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 144.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | N74 C75 L93 | N74-G88 PolarHBondContact N-O 2.72Å; C75-G88 PolarHBondContact N-O 2.88Å; C75-G88 PolarHBondContact O-N 3.43Å; G88-L93 WeakPolarHBondContact CA-O 3.01Å |
| 89 | G | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | -175.4 | -173 | 0 | 0 | 0 | 0 | 0 | 116.5 | C72 D91 K92 L93 V134 | C72-G89 CarbonylContact O-C 3.44Å; C72-G89 WeakPolarHBondContact O-CA 3.31Å; G89-D91 PolarHBondContact O-N 2.7Å; G89-K92 PolarHBondContact O-N 2.99Å; G89-K92 VanDerWaalsContact O-N 3.08Å; G89-L93 PolarHBondContact N-O 2.87Å; G89-V134 PolarHBondContact O-N 2.71Å |
| 90 | D | 97.5 | Very high | 95.5 | Very high | 49 Ų | 49 | 35.3 Ų | 35.3 | 26% | 0.262 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -17.3 | -178.2 | -64.3 | -5.4 | 0 | 0 | 0 | 113 | A71 C72 N74 K92 | A71-D90 HydrophobicContact CB-CB 3.68Å; C72-D90 HydrophobicContact CB-CB 4.49Å; C72-D90 VanDerWaalsContact CB-OD2 3.22Å; C72-D90 WeakPolarHBondContact CB-OD2 3.35Å; C72-D90 PolarHBondContact O-N 2.88Å; C72-D90 PolarHBondContact SG-OD2 2.94Å; N74-D90 PolarHBondContact ND2-OD1 2.81Å; D90-K92 PolarHBondContact O-N 2.82Å |
| 91 | D | 96.4 | Very high | 94.8 | Very high | 25 Ų | 25 | 36.7 Ų | 36.7 | 13% | 0.134 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | 2.7 | 171.3 | 69.8 | -5.4 | 0 | 0 | 0 | 113.5 | H69 L70 A71 G89 L93 | H69-D91 WeakPolarHBondContact CA-OD2 3.32Å; H69-D91 IonicContact CE1-OD1 2.65Å; H69-D91 IonicContact CG-OD2 3.69Å; H69-D91 VanDerWaalsContact ND1-CG 3.3Å; H69-D91 IonicContact ND1-OD1 3.68Å; H69-D91 PolarHBondContact ND1-OD1 3.4Å; H69-D91 IonicContact ND1-OD2 3.81Å; H69-D91 PolarHBondContact ND1-OD2 2.74Å; L70-D91 HydrophobicContact CB-CB 3.97Å; L70-D91 PolarHBondContact N-OD2 2.92Å; A71-D91 HydrophobicContact CB-CB 4.41Å; G89-D91 PolarHBondContact O-N 2.7Å; D91-L93 HydrophobicContact CB-CG 4.45Å; D91-L93 PolarHBondContact O-N 3.08Å; D91-L93 WeakPolarHBondContact OD1-CB 3.08Å; D91-L93 PolarHBondContact OD1-N 2.53Å |
| 92 | K | 97.4 | Very high | 93.5 | Very high | 88 Ų | 88 | 42.9 Ų | 42.9 | 38% | 0.383 | 20% | 0.203 | S | C | . | . | S | Bend | trans | 69.6 | 12.3 | 174.6 | -40.2 | -175.4 | 174.2 | -169.3 | 0 | 113.5 | G89 D90 S131 | G89-K92 PolarHBondContact O-N 2.99Å; G89-K92 VanDerWaalsContact O-N 3.08Å; D90-K92 PolarHBondContact O-N 2.82Å; K92-S131 WeakPolarHBondContact CD-O 3.33Å; K92-S131 WeakPolarHBondContact CE-O 3.19Å; K92-S131 PolarHBondContact NZ-O 3.35Å |
| 93 | L | 97.2 | Very high | 91.4 | Very high | 22 Ų | 22 | 51 Ų | 51 | 12% | 0.115 | 24% | 0.243 | C | C | . | . | trans | -98.3 | 146.9 | 179.2 | -52.4 | -177.4 | 0 | 0 | 0 | 110.1 | G88 G89 D91 M95 I126 R128 | G88-L93 WeakPolarHBondContact CA-O 3.01Å; G89-L93 PolarHBondContact N-O 2.87Å; D91-L93 HydrophobicContact CB-CG 4.45Å; D91-L93 PolarHBondContact O-N 3.08Å; D91-L93 WeakPolarHBondContact OD1-CB 3.08Å; D91-L93 PolarHBondContact OD1-N 2.53Å; L93-M95 HydrophobicContact CB-CE 4.42Å; L93-M95 HydrophobicContact CD1-CE 3.59Å; L93-I126 HydrophobicContact CB-CG2 4.06Å; L93-I126 HydrophobicContact CD1-CG2 4.01Å; L93-I126 HydrophobicContact CD2-CG2 3.99Å; L93-I126 HydrophobicContact CG-CG2 4.24Å; L93-R128 HydrophobicContact CD2-CG 3.71Å | ||
| 94 | I | 98.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 126.2 | 151.2 | -53.5 | 101.4 | 0 | 0 | 0 | 107.7 | A86 S87 I126 L127 V134 V137 L146 W158 | A86-I94 HydrophobicContact CB-CG2 4.44Å; S87-I94 CarbonylContact O-C 3.58Å; S87-I94 VanDerWaalsContact O-CA 3.25Å; S87-I94 WeakPolarHBondContact O-CA 3.3Å; S87-I94 WeakPolarHBondContact O-CG2 3.47Å; I94-I126 CarbonylContact O-C 3.58Å; I94-I126 WeakPolarHBondContact O-CA 3.28Å; I94-L127 HydrophobicContact CB-CB 4.07Å; I94-L127 HydrophobicContact CB-CD1 4.11Å; I94-L127 HydrophobicContact CB-CG 4.21Å; I94-L127 HydrophobicContact CD1-CB 4.24Å; I94-L127 HydrophobicContact CG2-CD1 4.09Å; I94-L127 PolarHBondContact N-O 3.21Å; I94-L127 PolarHBondContact O-N 3Å; I94-V134 HydrophobicContact CD1-CG1 4.44Å; I94-V134 HydrophobicContact CD1-CG2 4.16Å; I94-V134 HydrophobicContact CG1-CG1 3.98Å; I94-V134 HydrophobicContact CG1-CG2 4.24Å; I94-V137 HydrophobicContact CG1-CG1 4.05Å; I94-V137 HydrophobicContact CG2-CG1 4.11Å; I94-L146 HydrophobicContact CG2-CD2 4.33Å; I94-W158 HydrophobicContact CD1-CZ2 4.05Å |
| 95 | M | 98.3 | Very high | 87.2 | Confident | 6 Ų | 6 | 51.8 Ų | 51.8 | 3% | 0.03 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 126.9 | 171.5 | -61.3 | -165.6 | -168.8 | 0 | 0 | 109.5 | N68 A86 S87 L93 W97 I126 | N68-M95 HydrophobicContact CB-CE 4.2Å; N68-M95 HydrophobicContact CB-SD 3.86Å; N68-M95 WeakPolarHBondContact O-CE 3.4Å; A86-M95 CarbonylContact C-O 3.57Å; A86-M95 WeakPolarHBondContact CA-O 3.39Å; S87-M95 PolarHBondContact N-O 2.76Å; S87-M95 PolarHBondContact O-N 3.38Å; L93-M95 HydrophobicContact CB-CE 4.42Å; L93-M95 HydrophobicContact CD1-CE 3.59Å; M95-W97 HydrophobicContact CB-CZ2 3.86Å; M95-W97 HydrophobicContact CG-CZ2 4.38Å; M95-W97 PolarHBondContact O-NE1 3.39Å; M95-W97 HydrophobicContact SD-CH2 4.08Å; M95-W97 HydrophobicContact SD-CZ2 3.68Å; M95-I126 HydrophobicContact CG-CG1 4.42Å; M95-I126 HydrophobicContact CG-CG2 4.49Å |
| 96 | V | 98.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 123 | 172.1 | -175 | 0 | 0 | 0 | 0 | 107.9 | Y84 L85 C123 V124 S125 L127 W139 L146 F163 | Y84-V96 HydrophobicContact CD1-CG1 3.86Å; Y84-V96 HydrophobicContact CG-CG1 4.16Å; L85-V96 CarbonylContact O-C 3.55Å; L85-V96 WeakPolarHBondContact O-CA 3.33Å; V96-C123 CarbonylContact O-C 3.59Å; V96-C123 WeakPolarHBondContact O-CA 3.45Å; V96-V124 HydrophobicContact CB-CG2 4.37Å; V96-V124 HydrophobicContact CG1-CG2 4.08Å; V96-V124 VanDerWaalsContact O-CG2 3.28Å; V96-V124 WeakPolarHBondContact O-CG2 3.41Å; V96-V124 PolarHBondContact O-N 3.2Å; V96-S125 PolarHBondContact N-O 3.04Å; V96-S125 PolarHBondContact O-N 2.82Å; V96-L127 HydrophobicContact CG2-CD1 3.95Å; V96-L127 HydrophobicContact CG2-CD2 4.4Å; V96-L127 HydrophobicContact CG2-CG 4.16Å; V96-W139 HydrophobicContact CG1-CH2 4.28Å; V96-L146 HydrophobicContact CG2-CD2 4.33Å; V96-F163 HydrophobicContact CG1-CD2 4.4Å; V96-F163 HydrophobicContact CG1-CE2 3.92Å; V96-F163 HydrophobicContact CG1-CZ 4.45Å; V96-F163 HydrophobicContact CG2-CD2 4.43Å; V96-F163 HydrophobicContact CG2-CE1 4.22Å; V96-F163 HydrophobicContact CG2-CE2 4.08Å; V96-F163 HydrophobicContact CG2-CZ 3.95Å |
| 97 | W | 97.3 | Very high | 82.4 | Confident | 3 Ų | 3 | 61 Ų | 61 | 1% | 0.011 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 146.8 | -174.5 | -48.8 | 84.5 | 0 | 0 | 0 | 111.2 | M66 N68 Y84 L85 S87 M95 W121 R122 C123 | M66-W97 HydrophobicContact CB-CH2 3.77Å; M66-W97 HydrophobicContact CB-CZ2 4.34Å; M66-W97 HydrophobicContact CB-CZ3 3.94Å; M66-W97 HydrophobicContact CE-CD2 4.03Å; M66-W97 HydrophobicContact CE-CE3 4.24Å; M66-W97 HydrophobicContact CE-CG 4.28Å; M66-W97 HydrophobicContact CG-CE3 4.41Å; M66-W97 HydrophobicContact CG-CH2 4.4Å; M66-W97 HydrophobicContact CG-CZ3 4.07Å; M66-W97 HydrophobicContact SD-CD2 3.7Å; M66-W97 HydrophobicContact SD-CE3 3.3Å; M66-W97 HydrophobicContact SD-CG 4.31Å; M66-W97 HydrophobicContact SD-CH2 4.14Å; M66-W97 HydrophobicContact SD-CZ3 3.55Å; M66-W97 VanDerWaalsContact SD-CZ3 3.55Å; N68-W97 HydrophobicContact CB-CH2 3.79Å; N68-W97 WeakPolarHBondContact OD1-CH2 3.45Å; Y84-W97 VanDerWaalsContact CA-O 3.3Å; Y84-W97 WeakPolarHBondContact CA-O 3.38Å; L85-W97 HydrophobicContact CB-CB 4.22Å; L85-W97 PolarHBondContact N-O 3.33Å; L85-W97 VanDerWaalsContact N-O 3.09Å; L85-W97 PolarHBondContact O-N 3.13Å; S87-W97 PolarHBondContact OG-NE1 3.32Å; M95-W97 HydrophobicContact CB-CZ2 3.86Å; M95-W97 HydrophobicContact CG-CZ2 4.38Å; M95-W97 PolarHBondContact O-NE1 3.39Å; M95-W97 HydrophobicContact SD-CH2 4.08Å; M95-W97 HydrophobicContact SD-CZ2 3.68Å; W97-W121 HydrophobicContact CB-CE3 4.16Å; W97-R122 CarbonylContact C-O 3.46Å; W97-R122 WeakPolarHBondContact CA-O 3.48Å; W97-C123 HydrophobicContact CD2-CB 4.33Å; W97-C123 HydrophobicContact CE3-CB 3.86Å; W97-C123 HydrophobicContact CH2-CB 4.44Å; W97-C123 HydrophobicContact CZ3-CB 3.93Å |
| 98 | K | 94.9 | Very high | 80.2 | Confident | 63 Ų | 63 | 62.4 Ų | 62.4 | 27% | 0.274 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 141.6 | 172.5 | -166.5 | 172.5 | -160.9 | 159.6 | 0 | 110.1 | Y84 A100 R122 V124 | Y84-K98 HydrophobicContact CD1-CB 4.2Å; Y84-K98 HydrophobicContact CD1-CD 4.47Å; Y84-K98 HydrophobicContact CD1-CG 4.41Å; Y84-K98 HydrophobicContact CE1-CB 4.21Å; Y84-K98 HydrophobicContact CE1-CD 3.76Å; Y84-K98 HydrophobicContact CE1-CG 4.18Å; Y84-K98 PolarHBondContact OH-NZ 2.66Å; Y84-K98 VanDerWaalsContact OH-NZ 3.1Å; K98-A100 PolarHBondContact O-N 3.25Å; K98-R122 PolarHBondContact N-O 3.2Å; K98-R122 PolarHBondContact O-N 2.85Å; K98-V124 HydrophobicContact CB-CG1 3.62Å; K98-V124 HydrophobicContact CB-CG2 4.15Å |
| 99 | R | 91.3 | Very high | 77.5 | Confident | 128 Ų | 128 | 72.4 Ų | 72.4 | 48% | 0.483 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 134.6 | 172.4 | -163.5 | 179.2 | 178.8 | 169 | 9.1 | 109.7 | E119 Q120 W121 | R99-E119 VanDerWaalsContact CZ-CD 3.44Å; R99-E119 IonicContact CZ-OE1 2.77Å; R99-E119 IonicContact CZ-OE2 2.75Å; R99-E119 IonicContact NE-OE1 3.57Å; R99-E119 IonicContact NE-OE2 2.67Å; R99-E119 IonicContact NH1-OE1 2.7Å; R99-E119 PolarHBondContact NH1-OE1 2.77Å; R99-E119 VanDerWaalsContact NH1-OE1 3.13Å; R99-E119 IonicContact NH2-OE1 3.52Å; R99-E119 PolarHBondContact NH2-OE1 3.26Å; R99-Q120 CarbonylContact C-O 3.6Å; R99-Q120 WeakPolarHBondContact CA-O 3.43Å; R99-W121 HydrophobicContact CB-CD2 4.13Å; R99-W121 HydrophobicContact CB-CE3 4.25Å; R99-W121 HydrophobicContact CB-CH2 3.8Å; R99-W121 HydrophobicContact CB-CZ2 3.7Å; R99-W121 HydrophobicContact CB-CZ3 4.09Å; R99-W121 HydrophobicContact CG-CZ2 4.05Å; R99-W121 VanDerWaalsContact N-CZ3 3.26Å |
| 100 | A | 85.6 | Confident | 75.2 | Confident | 32 Ų | 32 | 76.1 Ų | 76.1 | 26% | 0.264 | 42% | 0.419 | S | S | . | . | trans | -79 | 138.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110 | K98 Q120 | K98-A100 PolarHBondContact O-N 3.25Å; A100-Q120 HydrophobicContact CB-CB 4.07Å; A100-Q120 PolarHBondContact N-O 2.95Å | ||
| 101 | T | 76 | Confident | 72.9 | Confident | 119 Ų | 119 | 76.4 Ų | 76.4 | 73% | 0.73 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -90.1 | -18.8 | -179.9 | 50.9 | 0 | 0 | 0 | 0 | 113.5 | ||
| 102 | Y | 61.5 | Low | 70.2 | Confident | 201 Ų | 201 | 81.1 Ų | 81.1 | 79% | 0.788 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -105.6 | 128.1 | -176 | -70.1 | -74.9 | 0 | 0 | 0 | 110.9 | ||
| 103 | I | 49.3 | Very low | 67.9 | Low | 175 Ų | 175 | 80.6 Ų | 80.6 | 90% | 0.897 | 48% | 0.479 | S | S | * | . | trans | -94.4 | 107 | -173.1 | -56.1 | 170.6 | 0 | 0 | 0 | 109.1 | ||||
| 104 | G | 53 | Low | 65.5 | Low | 35 Ų | 35 | 89.1 Ų | 89.1 | 36% | 0.361 | 52% | 0.516 | S | S | . | . | trans | -124.5 | 148 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | S106 Q120 | G104-S106 PolarHBondContact O-N 2.62Å; G104-Q120 PolarHBondContact O-NE2 2.98Å | ||
| 105 | P | 47.6 | Very low | 63.4 | Low | 142 Ų | 142 | 93.7 Ų | 93.7 | 92% | 0.922 | 54% | 0.539 | S | S | * | . | trans | -64 | 124.5 | -176.9 | 26 | -34 | 0 | 0 | 0 | 111.3 | ||||
| 106 | S | 47.1 | Very low | 61.6 | Low | 66 Ų | 66 | 97.2 Ų | 97.2 | 46% | 0.462 | 57% | 0.57 | S | S | . | * | trans | -128 | 106.2 | 176.7 | -171.4 | 0 | 0 | 0 | 0 | 110.3 | G104 Q120 | G104-S106 PolarHBondContact O-N 2.62Å; S106-Q120 VanDerWaalsContact CB-NE2 3.29Å | ||
| 107 | T | 48.8 | Very low | 60.3 | Low | 126 Ų | 126 | 98.7 Ų | 98.7 | 77% | 0.773 | 58% | 0.577 | S | S | * | * | B | Isolated β-bridge | trans | -86.1 | 133.6 | 173.2 | 51.4 | 0 | 0 | 0 | 0 | 109.9 | F109 | T107-F109 PolarHBondContact O-N 2.61Å; T107-F109 VanDerWaalsContact O-N 3.14Å |
| 108 | V | 52.5 | Low | 59.6 | Low | 30 Ų | 30 | 102.9 Ų | 102.9 | 18% | 0.182 | 60% | 0.603 | C | S | . | * | P | Polyproline II helix | trans | -58.9 | 119.2 | 174.4 | -179.6 | 0 | 0 | 0 | 0 | 109.4 | G110 S111 | V108-G110 PolarHBondContact O-N 3.12Å; V108-S111 WeakPolarHBondContact CG1-OG 3.42Å; V108-S111 PolarHBondContact O-N 3Å |
| 109 | F | 42.4 | Very low | 59.3 | Low | 210 Ų | 210 | 100.6 Ų | 100.6 | 92% | 0.921 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | 121 | -174 | -169.6 | -91.4 | 0 | 0 | 0 | 110.7 | T107 | T107-F109 PolarHBondContact O-N 2.61Å; T107-F109 VanDerWaalsContact O-N 3.14Å |
| 110 | G | 48.6 | Very low | 59.1 | Low | 79 Ų | 79 | 97 Ų | 97 | 81% | 0.814 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84.5 | -3.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | V108 | V108-G110 PolarHBondContact O-N 3.12Š|
| 111 | S | 47.9 | Very low | 59.3 | Low | 55 Ų | 55 | 96.7 Ų | 96.7 | 39% | 0.385 | 57% | 0.574 | S | S | . | * | trans | -77 | 128 | 177.3 | -75.2 | 0 | 0 | 0 | 0 | 113 | V108 G113 | V108-S111 WeakPolarHBondContact CG1-OG 3.42Å; V108-S111 PolarHBondContact O-N 3Å; S111-G113 VanDerWaalsContact C-N 3.34Å; S111-G113 PolarHBondContact O-N 3.03Å | ||
| 112 | S | 41.3 | Very low | 60.1 | Low | 124 Ų | 124 | 97.7 Ų | 97.7 | 87% | 0.867 | 56% | 0.564 | S | S | * | * | trans | -77.4 | 74.4 | 179.8 | 44.1 | 0 | 0 | 0 | 0 | 113.4 | K114 | S112-K114 PolarHBondContact O-N 3.29Å; S112-K114 VanDerWaalsContact O-N 3.14Å | ||
| 113 | G | 47.7 | Very low | 61.6 | Low | 76 Ų | 76 | 90 Ų | 90 | 78% | 0.784 | 54% | 0.54 | S | S | * | . | S | Bend | trans | 73.7 | 10.1 | 145.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | S111 | S111-G113 VanDerWaalsContact C-N 3.34Å; S111-G113 PolarHBondContact O-N 3.03Å |
| 114 | K | 48.1 | Very low | 63.8 | Low | 202 Ų | 202 | 84.3 Ų | 84.3 | 88% | 0.878 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -133.9 | -1.7 | 176 | -99.9 | -161.7 | 175 | -164.2 | 0 | 117.9 | S112 | S112-K114 PolarHBondContact O-N 3.29Å; S112-K114 VanDerWaalsContact O-N 3.14Å |
| 115 | L | 54.3 | Low | 65.9 | Low | 96 Ų | 96 | 83.9 Ų | 83.9 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | trans | -123.2 | 107.5 | 176.8 | -67.5 | 173.9 | 0 | 0 | 0 | 110.1 | M62 | M62-L115 HydrophobicContact CE-CD1 4.19Å; M62-L115 HydrophobicContact CE-CD2 4.26Å; M62-L115 HydrophobicContact SD-CD1 4.46Å; M62-L115 HydrophobicContact SD-CD2 4.31Å | ||
| 116 | A | 61.3 | Low | 68.2 | Low | 80 Ų | 80 | 80 Ų | 80 | 66% | 0.661 | 48% | 0.476 | S | S | * | . | B | Isolated β-bridge | trans | -103.5 | 132.9 | 171 | 0 | 0 | 0 | 0 | 0 | 109.4 | V118 | A116-V118 PolarHBondContact O-N 3.21Å |
| 117 | N | 68.9 | Low | 70.6 | Confident | 31 Ų | 31 | 76.9 Ų | 76.9 | 17% | 0.166 | 45% | 0.454 | C | S | . | . | trans | -72.4 | 116.4 | 174.4 | -80.5 | -13.2 | 0 | 0 | 0 | 109.4 | C64 Q65 | C64-N117 WeakPolarHBondContact CA-OD1 3.34Å; Q65-N117 PolarHBondContact N-OD1 2.94Å; Q65-N117 PolarHBondContact O-ND2 3.25Å | ||
| 118 | V | 83.4 | Confident | 72.8 | Confident | 91 Ų | 91 | 78.5 Ų | 78.5 | 55% | 0.552 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -82.4 | -39.4 | 179.2 | 179.8 | 0 | 0 | 0 | 0 | 111.2 | P60 L63 A116 | P60-V118 HydrophobicContact CB-CG2 3.76Å; P60-V118 HydrophobicContact CG-CB 4.49Å; P60-V118 HydrophobicContact CG-CG1 4.19Å; P60-V118 HydrophobicContact CG-CG2 4.1Å; L63-V118 PolarHBondContact O-N 3.31Å; A116-V118 PolarHBondContact O-N 3.21Å |
| 119 | E | 88.6 | Confident | 74.7 | Confident | 15 Ų | 15 | 79.5 Ų | 79.5 | 7% | 0.07 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -97.5 | 145.8 | 164.4 | -67 | -160.6 | 164.1 | 0 | 0 | 110.3 | K27 L63 C64 R99 W121 | K27-E119 IonicContact NZ-OE1 3.44Å; K27-E119 PolarHBondContact NZ-OE1 3.14Å; K27-E119 IonicContact NZ-OE2 3.58Å; K27-E119 PolarHBondContact NZ-OE2 3Å; L63-E119 HydrophobicContact CB-CB 4.38Å; L63-E119 HydrophobicContact CB-CG 4.15Å; L63-E119 PolarHBondContact O-N 3.06Å; C64-E119 HydrophobicContact CB-CB 4.42Å; C64-E119 WeakPolarHBondContact CB-O 3.38Å; C64-E119 PolarHBondContact SG-O 3.21Å; C64-E119 VanDerWaalsContact SG-O 3.32Å; R99-E119 VanDerWaalsContact CZ-CD 3.44Å; R99-E119 IonicContact CZ-OE1 2.77Å; R99-E119 IonicContact CZ-OE2 2.75Å; R99-E119 IonicContact NE-OE1 3.57Å; R99-E119 IonicContact NE-OE2 2.67Å; R99-E119 IonicContact NH1-OE1 2.7Å; R99-E119 PolarHBondContact NH1-OE1 2.77Å; R99-E119 VanDerWaalsContact NH1-OE1 3.13Å; R99-E119 IonicContact NH2-OE1 3.52Å; R99-E119 PolarHBondContact NH2-OE1 3.26Å; E119-W121 PolarHBondContact OE2-NE1 3.08Å |
| 120 | Q | 86.1 | Confident | 77.3 | Confident | 53 Ų | 53 | 70.1 Ų | 70.1 | 25% | 0.248 | 41% | 0.413 | C | S | . | . | trans | -110.3 | 132.5 | 171.5 | -68.7 | -173.4 | 6.3 | 0 | 0 | 110.6 | R99 A100 G104 S106 | R99-Q120 CarbonylContact C-O 3.6Å; R99-Q120 WeakPolarHBondContact CA-O 3.43Å; A100-Q120 HydrophobicContact CB-CB 4.07Å; A100-Q120 PolarHBondContact N-O 2.95Å; G104-Q120 PolarHBondContact O-NE2 2.98Å; S106-Q120 VanDerWaalsContact CB-NE2 3.29Å | ||
| 121 | W | 91.4 | Very high | 79.6 | Confident | 25 Ų | 25 | 70.5 Ų | 70.5 | 10% | 0.095 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 132.5 | -178.2 | -73.4 | 82.2 | 0 | 0 | 0 | 108.4 | I42 M66 W78 W97 R99 E119 | I42-W121 HydrophobicContact CD1-CD2 3.7Å; I42-W121 HydrophobicContact CD1-CE3 4.4Å; I42-W121 HydrophobicContact CD1-CG 3.76Å; I42-W121 HydrophobicContact CD1-CZ2 4.27Å; M66-W121 HydrophobicContact SD-CB 3.37Å; M66-W121 WeakPolarHBondContact SD-CB 3.46Å; M66-W121 HydrophobicContact SD-CG 4.26Å; W78-W121 AromaticContact CH2-CH2 3.55Å; W78-W121 HydrophobicContact CH2-CH2 3.55Å; W78-W121 AromaticContact CH2-CZ2 3.8Å; W78-W121 HydrophobicContact CH2-CZ2 3.8Å; W78-W121 HydrophobicContact CH2-CZ3 4.01Å; W78-W121 AromaticContact CZ3-CH2 3.35Å; W78-W121 HydrophobicContact CZ3-CH2 3.35Å; W78-W121 HydrophobicContact CZ3-CZ2 4.08Å; W78-W121 AromaticContact CZ3-CZ3 3.66Å; W78-W121 HydrophobicContact CZ3-CZ3 3.66Å; W97-W121 HydrophobicContact CB-CE3 4.16Å; R99-W121 HydrophobicContact CB-CD2 4.13Å; R99-W121 HydrophobicContact CB-CE3 4.25Å; R99-W121 HydrophobicContact CB-CH2 3.8Å; R99-W121 HydrophobicContact CB-CZ2 3.7Å; R99-W121 HydrophobicContact CB-CZ3 4.09Å; R99-W121 HydrophobicContact CG-CZ2 4.05Å; R99-W121 VanDerWaalsContact N-CZ3 3.26Å; E119-W121 PolarHBondContact OE2-NE1 3.08Å |
| 122 | R | 91.5 | Very high | 81.9 | Confident | 139 Ų | 139 | 68.2 Ų | 68.2 | 53% | 0.525 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 138.8 | 178.5 | 65 | 178.5 | -175.6 | 170.7 | 2 | 110.1 | W97 K98 V124 | W97-R122 CarbonylContact C-O 3.46Å; W97-R122 WeakPolarHBondContact CA-O 3.48Å; K98-R122 PolarHBondContact N-O 3.2Å; K98-R122 PolarHBondContact O-N 2.85Å; R122-V124 HydrophobicContact CG-CG1 4.03Å; R122-V124 PolarHBondContact O-N 2.82Å |
| 123 | C | 94.6 | Very high | 84.6 | Confident | 41 Ų | 41 | 64.9 Ų | 64.9 | 28% | 0.277 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 116.8 | 167.6 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | V96 W97 S125 I126 | V96-C123 CarbonylContact O-C 3.59Å; V96-C123 WeakPolarHBondContact O-CA 3.45Å; W97-C123 HydrophobicContact CD2-CB 4.33Å; W97-C123 HydrophobicContact CE3-CB 3.86Å; W97-C123 HydrophobicContact CH2-CB 4.44Å; W97-C123 HydrophobicContact CZ3-CB 3.93Å; C123-S125 PolarHBondContact SG-O 2.89Å; C123-S125 VanDerWaalsContact SG-O 3.34Å; C123-I126 WeakPolarHBondContact SG-CG1 3.31Å |
| 124 | V | 94.9 | Very high | 87 | Confident | 54 Ų | 54 | 61.3 Ų | 61.3 | 33% | 0.327 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | -17.5 | 179.3 | -68.2 | 0 | 0 | 0 | 0 | 112.8 | Y84 V96 K98 R122 | Y84-V124 HydrophobicContact CD1-CG2 4.23Å; Y84-V124 HydrophobicContact CE1-CG2 4.13Å; V96-V124 HydrophobicContact CB-CG2 4.37Å; V96-V124 HydrophobicContact CG1-CG2 4.08Å; V96-V124 VanDerWaalsContact O-CG2 3.28Å; V96-V124 WeakPolarHBondContact O-CG2 3.41Å; V96-V124 PolarHBondContact O-N 3.2Å; K98-V124 HydrophobicContact CB-CG1 3.62Å; K98-V124 HydrophobicContact CB-CG2 4.15Å; R122-V124 HydrophobicContact CG-CG1 4.03Å; R122-V124 PolarHBondContact O-N 2.82Å |
| 125 | S | 95.9 | Very high | 89.4 | Confident | 27 Ų | 27 | 52.1 Ų | 52.1 | 19% | 0.189 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 137.8 | 173.3 | -70.6 | 0 | 0 | 0 | 0 | 110.6 | V96 C123 F163 | V96-S125 PolarHBondContact N-O 3.04Å; V96-S125 PolarHBondContact O-N 2.82Å; C123-S125 PolarHBondContact SG-O 2.89Å; C123-S125 VanDerWaalsContact SG-O 3.34Å; S125-F163 WeakPolarHBondContact OG-CB 3.34Å |
| 126 | I | 97.5 | Very high | 91.5 | Very high | 61 Ų | 61 | 47.7 Ų | 47.7 | 31% | 0.313 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 108.2 | 170.9 | -53.6 | 172 | 0 | 0 | 0 | 107.4 | L93 I94 M95 C123 R128 | L93-I126 HydrophobicContact CB-CG2 4.06Å; L93-I126 HydrophobicContact CD1-CG2 4.01Å; L93-I126 HydrophobicContact CD2-CG2 3.99Å; L93-I126 HydrophobicContact CG-CG2 4.24Å; I94-I126 CarbonylContact O-C 3.58Å; I94-I126 WeakPolarHBondContact O-CA 3.28Å; M95-I126 HydrophobicContact CG-CG1 4.42Å; M95-I126 HydrophobicContact CG-CG2 4.49Å; C123-I126 WeakPolarHBondContact SG-CG1 3.31Å; I126-R128 HydrophobicContact CG2-CG 4.34Å |
| 127 | L | 97.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 128 | -176.7 | -37.9 | -179.6 | 0 | 0 | 0 | 108.6 | I94 V96 L146 W158 F163 P164 | I94-L127 HydrophobicContact CB-CB 4.07Å; I94-L127 HydrophobicContact CB-CD1 4.11Å; I94-L127 HydrophobicContact CB-CG 4.21Å; I94-L127 HydrophobicContact CD1-CB 4.24Å; I94-L127 HydrophobicContact CG2-CD1 4.09Å; I94-L127 PolarHBondContact N-O 3.21Å; I94-L127 PolarHBondContact O-N 3Å; V96-L127 HydrophobicContact CG2-CD1 3.95Å; V96-L127 HydrophobicContact CG2-CD2 4.4Å; V96-L127 HydrophobicContact CG2-CG 4.16Å; L127-L146 HydrophobicContact CD1-CD2 3.86Å; L127-W158 HydrophobicContact CB-CD2 4.13Å; L127-W158 HydrophobicContact CB-CE3 4.01Å; L127-W158 HydrophobicContact CB-CH2 3.55Å; L127-W158 HydrophobicContact CB-CZ2 3.67Å; L127-W158 HydrophobicContact CB-CZ3 3.73Å; L127-W158 HydrophobicContact CD1-CB 4.48Å; L127-W158 HydrophobicContact CD1-CD2 3.78Å; L127-W158 HydrophobicContact CD1-CE3 4.17Å; L127-W158 HydrophobicContact CD1-CG 3.92Å; L127-W158 HydrophobicContact CD2-CE3 4.34Å; L127-W158 HydrophobicContact CG-CD2 4.44Å; L127-W158 HydrophobicContact CG-CE3 4.4Å; L127-F163 HydrophobicContact CD1-CD1 3.85Å; L127-F163 HydrophobicContact CD1-CE1 3.71Å; L127-F163 HydrophobicContact CD2-CB 4.04Å; L127-F163 HydrophobicContact CD2-CD1 3.56Å; L127-F163 HydrophobicContact CD2-CE1 4.27Å; L127-F163 HydrophobicContact CD2-CG 4.05Å; L127-F163 HydrophobicContact CG-CD1 4.37Å; L127-P164 HydrophobicContact CD2-CB 3.78Å |
| 128 | R | 95 | Very high | 94.7 | Very high | 159 Ų | 159 | 43 Ų | 43 | 60% | 0.6 | 23% | 0.226 | S | C | * | . | trans | -131.1 | 113 | -176.1 | -67.1 | -175.3 | 176.4 | 90.3 | -3.5 | 109.3 | L93 I126 | L93-R128 HydrophobicContact CD2-CG 3.71Å; I126-R128 HydrophobicContact CG2-CG 4.34Å | ||
| 129 | S | 91.6 | Very high | 95.3 | Very high | 52 Ų | 52 | 39.5 Ų | 39.5 | 36% | 0.364 | 20% | 0.203 | S | C | . | . | trans | -156.3 | -42.7 | 177.9 | -179.6 | 0 | 0 | 0 | 0 | 111 | W158 | S129-W158 VanDerWaalsContact CB-CH2 3.48Š| ||
| 130 | H | 97.1 | Very high | 95.5 | Very high | 13 Ų | 13 | 39.1 Ų | 39.1 | 6% | 0.06 | 20% | 0.202 | C | C | . | . | trans | -64 | 140.6 | 177.3 | -70.3 | -61.1 | 0 | 0 | 0 | 112.3 | V134 S148 S150 D152 T154 | H130-V134 HydrophobicContact CB-CG2 4.27Å; H130-S148 PolarHBondContact CD2-OG 3.09Å; H130-S148 PolarHBondContact NE2-O 2.97Å; H130-S148 PolarHBondContact NE2-OG 3.03Å; H130-S150 VanDerWaalsContact CG-CB 3.47Å; H130-S150 WeakPolarHBondContact ND1-CB 3.34Å; H130-D152 WeakPolarHBondContact CA-OD2 3.34Å; H130-D152 IonicContact CG-OD2 3.07Å; H130-D152 IonicContact ND1-OD1 2.76Å; H130-D152 PolarHBondContact ND1-OD1 2.86Å; H130-D152 IonicContact ND1-OD2 2.77Å; H130-D152 PolarHBondContact ND1-OD2 2.81Å; H130-T154 PolarHBondContact CE1-OG1 2.81Å; H130-T154 VanDerWaalsContact CE1-OG1 3.28Å; H130-T154 PolarHBondContact ND1-OG1 2.87Å; H130-T154 VanDerWaalsContact ND1-OG1 3.16Å | ||
| 131 | S | 95.8 | Very high | 95.4 | Very high | 87 Ų | 87 | 38.4 Ų | 38.4 | 61% | 0.608 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -97.5 | -5.5 | 178 | 61.9 | 0 | 0 | 0 | 0 | 113.1 | K92 D152 | K92-S131 WeakPolarHBondContact CD-O 3.33Å; K92-S131 WeakPolarHBondContact CE-O 3.19Å; K92-S131 PolarHBondContact NZ-O 3.35Å; S131-D152 PolarHBondContact N-OD2 2.96Å; S131-D152 VanDerWaalsContact OG-CB 3.22Å; S131-D152 WeakPolarHBondContact OG-CB 3.48Å; S131-D152 PolarHBondContact OG-OD2 2.92Å |
| 132 | G | 96.9 | Very high | 94.7 | Very high | 6 Ų | 6 | 42.7 Ų | 42.7 | 6% | 0.062 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -131.2 | 179 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S150 | G132-S150 PolarHBondContact O-OG 2.85Š|
| 133 | D | 97.9 | Very high | 94.5 | Very high | 55 Ų | 55 | 37.1 Ų | 37.1 | 29% | 0.294 | 20% | 0.204 | S | C | . | . | trans | -48.4 | 132.7 | 177.1 | -37.6 | -20.7 | 0 | 0 | 0 | 111.2 | M135 S150 V151 | D133-M135 HydrophobicContact CB-SD 4.35Å; D133-S150 VanDerWaalsContact O-CA 3.24Å; D133-S150 WeakPolarHBondContact O-CA 3.19Å; D133-S150 VanDerWaalsContact O-CB 3.25Å; D133-S150 WeakPolarHBondContact O-CB 3.46Å; D133-S150 PolarHBondContact O-OG 3.33Å; D133-V151 HydrophobicContact CB-CG1 4.2Å; D133-V151 HydrophobicContact CB-CG2 3.84Å; D133-V151 VanDerWaalsContact N-CG2 3.33Å; D133-V151 PolarHBondContact O-N 3.45Å | ||
| 134 | V | 98.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 120.8 | 177.4 | -178.3 | 0 | 0 | 0 | 0 | 108.6 | N74 G89 I94 H130 V137 | N74-V134 WeakPolarHBondContact CB-O 3.17Å; N74-V134 PolarHBondContact ND2-O 2.8Å; G89-V134 PolarHBondContact O-N 2.71Å; I94-V134 HydrophobicContact CD1-CG1 4.44Å; I94-V134 HydrophobicContact CD1-CG2 4.16Å; I94-V134 HydrophobicContact CG1-CG1 3.98Å; I94-V134 HydrophobicContact CG1-CG2 4.24Å; H130-V134 HydrophobicContact CB-CG2 4.27Å; V134-V137 HydrophobicContact CG1-CG1 4.17Å |
| 135 | M | 98.1 | Very high | 94.1 | Very high | 9 Ų | 9 | 34.8 Ų | 34.8 | 4% | 0.044 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | -32.7 | -171.5 | -62.4 | -52.9 | -58.1 | 0 | 0 | 113.4 | D133 C149 V151 V177 K178 H224 R227 | D133-M135 HydrophobicContact CB-SD 4.35Å; M135-C149 PolarHBondContact N-O 2.74Å; M135-V151 HydrophobicContact CG-CG1 3.66Å; M135-V151 HydrophobicContact SD-CG1 3.68Å; M135-V177 WeakPolarHBondContact CB-O 3.13Å; M135-K178 HydrophobicContact CB-CG 4.48Å; M135-K178 HydrophobicContact CE-CG 4.4Å; M135-K178 HydrophobicContact CG-CG 4.28Å; M135-H224 WeakPolarHBondContact CE-O 3.42Å; M135-R227 VanDerWaalsContact O-CZ 3.26Å; M135-R227 PolarHBondContact O-NH1 2.82Å; M135-R227 PolarHBondContact O-NH2 2.86Å |
| 136 | D | 98.4 | Very high | 94.2 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 156.1 | 177.6 | -144.8 | -12.9 | 0 | 0 | 0 | 111.8 | C75 S148 C149 G179 L180 R227 | C75-D136 PolarHBondContact SG-OD1 2.86Å; D136-S148 WeakPolarHBondContact O-CA 3.46Å; D136-C149 WeakPolarHBondContact CB-SG 3.39Å; D136-C149 PolarHBondContact O-N 3.48Å; D136-G179 VanDerWaalsContact OD2-CA 3.31Å; D136-G179 WeakPolarHBondContact OD2-CA 3.3Å; D136-L180 HydrophobicContact CB-CB 4.4Å; D136-L180 HydrophobicContact CB-CG 4.39Å; D136-L180 PolarHBondContact OD2-N 3.21Å; D136-R227 VanDerWaalsContact CG-CZ 3.5Å; D136-R227 IonicContact OD1-CZ 3.91Å; D136-R227 IonicContact OD1-NE 4Å; D136-R227 IonicContact OD1-NH1 2.98Å; D136-R227 PolarHBondContact OD1-NH1 2.86Å; D136-R227 VanDerWaalsContact OD2-CD 3.22Å; D136-R227 WeakPolarHBondContact OD2-CD 3.4Å; D136-R227 IonicContact OD2-CZ 2.69Å; D136-R227 IonicContact OD2-NE 2.78Å; D136-R227 IonicContact OD2-NH1 2.7Å; D136-R227 PolarHBondContact OD2-NH1 2.92Å |
| 137 | V | 98.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 148 | 168.2 | -63.7 | 0 | 0 | 0 | 0 | 109.1 | C75 R77 A86 I94 V134 L146 A147 | C75-V137 HydrophobicContact CB-CG2 4.18Å; R77-V137 HydrophobicContact CB-CG2 4.18Å; R77-V137 HydrophobicContact CG-CG2 3.95Å; R77-V137 WeakPolarHBondContact CG-O 3.41Å; A86-V137 HydrophobicContact CB-CG2 4.08Å; I94-V137 HydrophobicContact CG1-CG1 4.05Å; I94-V137 HydrophobicContact CG2-CG1 4.11Å; V134-V137 HydrophobicContact CG1-CG1 4.17Å; V137-L146 HydrophobicContact CB-CD1 4.32Å; V137-A147 CarbonylContact C-O 3.53Å; V137-A147 WeakPolarHBondContact CA-O 3.42Å |
| 138 | A | 98.1 | Very high | 94.2 | Very high | 13 Ų | 13 | 30.6 Ų | 30.6 | 11% | 0.107 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 130.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | A147 L180 W182 | A138-A147 PolarHBondContact N-O 2.84Å; A138-A147 PolarHBondContact O-N 3.49Å; A138-L180 HydrophobicContact CB-CB 4.09Å; A138-W182 PolarHBondContact O-NE1 2.85Å |
| 139 | W | 96.6 | Very high | 94.4 | Very high | 18 Ų | 18 | 23 Ų | 23 | 7% | 0.068 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 140.9 | 174.1 | -62 | 90.8 | 0 | 0 | 0 | 111.1 | R77 W78 Y84 A86 V96 D143 L146 A160 F163 W182 | R77-W139 PolarHBondContact O-NE1 2.87Å; W78-W139 VanDerWaalsContact C-CD1 3.46Å; W78-W139 PolarHBondContact O-NE1 2.8Å; Y84-W139 HydrophobicContact CD2-CH2 4.17Å; Y84-W139 HydrophobicContact CG-CH2 4.08Å; A86-W139 HydrophobicContact CB-CZ2 3.86Å; V96-W139 HydrophobicContact CG1-CH2 4.28Å; W139-D143 HydrophobicContact CE3-CB 4.32Å; W139-L146 HydrophobicContact CD2-CD1 3.83Å; W139-L146 HydrophobicContact CE3-CB 4.32Å; W139-L146 HydrophobicContact CE3-CD1 4.34Å; W139-L146 HydrophobicContact CG-CD1 4.02Å; W139-L146 HydrophobicContact CZ2-CD1 4.39Å; W139-L146 HydrophobicContact CZ3-CB 4.48Å; W139-A160 HydrophobicContact CE3-CB 4.33Å; W139-A160 HydrophobicContact CZ3-CB 3.8Å; W139-F163 HydrophobicContact CH2-CE2 4.04Å; W139-F163 AromaticContact CH2-CZ 3.87Å; W139-F163 HydrophobicContact CH2-CZ 3.87Å; W139-F163 HydrophobicContact CZ3-CE2 4.28Å; W139-F163 AromaticContact CZ3-CZ 3.98Å; W139-F163 HydrophobicContact CZ3-CZ 3.98Å; W139-W182 VanDerWaalsContact C-CD1 3.41Å |
| 140 | S | 93.4 | Very high | 94.7 | Very high | 6 Ų | 6 | 20.5 Ų | 20.5 | 4% | 0.042 | 12% | 0.115 | C | C | . | . | trans | -70.7 | 159.6 | 172.3 | 73.3 | 0 | 0 | 0 | 0 | 111 | N80 H142 D143 W145 | N80-S140 PolarHBondContact ND2-O 2.87Å; S140-H142 PolarHBondContact O-N 3.11Å; S140-D143 PolarHBondContact O-N 2.62Å; S140-W145 PolarHBondContact N-O 3.08Å; S140-W145 PolarHBondContact OG-N 2.92Å; S140-W145 VanDerWaalsContact OG-N 3.13Å; S140-W145 PolarHBondContact OG-O 3.46Å | ||
| 141 | P | 83.1 | Confident | 94.7 | Very high | 39 Ų | 39 | 21.4 Ų | 21.4 | 25% | 0.253 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -7.1 | -169.2 | -27.5 | 35.8 | 0 | 0 | 0 | 117.5 | D183 | P141-D183 WeakPolarHBondContact CG-O 3.45Š|
| 142 | H | 76.4 | Confident | 94.8 | Very high | 115 Ų | 115 | 18.9 Ų | 18.9 | 53% | 0.532 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -131 | 19.5 | 179 | -69.5 | -77.7 | 0 | 0 | 0 | 112.9 | S140 A144 A384 | S140-H142 PolarHBondContact O-N 3.11Å; H142-A144 PolarHBondContact O-N 2.89Å; H142-A384 PolarHBondContact CE1-O 2.85Å; H142-A384 WeakPolarHBondContact NE2-CA 3.39Å; H142-A384 PolarHBondContact NE2-O 2.94Å |
| 143 | D | 87.3 | Confident | 94.8 | Very high | 22 Ų | 22 | 20.9 Ų | 20.9 | 12% | 0.118 | 11% | 0.11 | C | C | . | . | S | Bend | trans | 54.2 | 16.4 | -178.7 | -60.1 | -19.7 | 0 | 0 | 0 | 115.4 | S79 N80 S81 W139 S140 W145 A160 | S79-D143 VanDerWaalsContact CB-OD2 3.25Å; S79-D143 WeakPolarHBondContact CB-OD2 3.47Å; S79-D143 PolarHBondContact OG-OD2 3.13Å; N80-D143 WeakPolarHBondContact CB-OD1 3.37Å; N80-D143 VanDerWaalsContact N-CG 3.33Å; N80-D143 PolarHBondContact N-OD1 3.28Å; N80-D143 PolarHBondContact N-OD2 2.65Å; N80-D143 VanDerWaalsContact N-OD2 3.07Å; N80-D143 PolarHBondContact ND2-OD1 3.32Å; S81-D143 WeakPolarHBondContact CB-OD2 3.42Å; S81-D143 PolarHBondContact N-OD2 3.45Å; S81-D143 PolarHBondContact OG-OD2 2.98Å; W139-D143 HydrophobicContact CE3-CB 4.32Å; S140-D143 PolarHBondContact O-N 2.62Å; D143-W145 VanDerWaalsContact C-N 3.32Å; D143-A160 WeakPolarHBondContact O-CB 3.35Å |
| 144 | A | 87.3 | Confident | 94.9 | Very high | 8 Ų | 8 | 18.5 Ų | 18.5 | 7% | 0.066 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -72 | -28.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | H142 A160 Y404 | H142-A144 PolarHBondContact O-N 2.89Å; A144-A160 PolarHBondContact O-N 2.99Å; A144-A160 VanDerWaalsContact O-N 3.11Å; A144-Y404 HydrophobicContact CB-CE1 4.41Å |
| 145 | W | 94.2 | Very high | 94.9 | Very high | 37 Ų | 37 | 18.5 Ų | 18.5 | 14% | 0.14 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 146.5 | -179.5 | -54.1 | -43.2 | 0 | 0 | 0 | 111.4 | S140 D143 I157 W158 L167 W182 T203 W206 M401 | S140-W145 PolarHBondContact N-O 3.08Å; S140-W145 PolarHBondContact OG-N 2.92Å; S140-W145 VanDerWaalsContact OG-N 3.13Å; S140-W145 PolarHBondContact OG-O 3.46Å; D143-W145 VanDerWaalsContact C-N 3.32Å; W145-I157 HydrophobicContact CB-CG2 4.26Å; W145-I157 HydrophobicContact CG-CG2 4.41Å; W145-W158 WeakPolarHBondContact CA-O 3.46Å; W145-L167 HydrophobicContact CG-CD1 4.31Å; W145-L167 VanDerWaalsContact NE1-CD1 3.29Å; W145-W182 HydrophobicContact CB-CH2 3.8Å; W145-W182 HydrophobicContact CB-CZ2 3.9Å; W145-W182 HydrophobicContact CD2-CH2 4.23Å; W145-W182 AromaticContact CE3-CH2 3.64Å; W145-W182 HydrophobicContact CE3-CH2 3.64Å; W145-W182 AromaticContact CE3-CZ3 3.58Å; W145-W182 HydrophobicContact CE3-CZ3 3.58Å; W145-W182 HydrophobicContact CG-CH2 4.35Å; W145-W182 HydrophobicContact CZ3-CZ3 4.12Å; W145-T203 HydrophobicContact CZ3-CG2 4.16Å; W145-W206 HydrophobicContact CD2-CH2 4.05Å; W145-W206 HydrophobicContact CD2-CZ2 4.16Å; W145-W206 AromaticContact CE3-CH2 3.75Å; W145-W206 HydrophobicContact CE3-CH2 3.75Å; W145-W206 HydrophobicContact CE3-CZ2 4.22Å; W145-W206 HydrophobicContact CH2-CH2 4.2Å; W145-W206 HydrophobicContact CH2-CZ2 4.08Å; W145-W206 HydrophobicContact CZ2-CH2 4.48Å; W145-W206 HydrophobicContact CZ2-CZ2 4.04Å; W145-W206 AromaticContact CZ3-CH2 3.83Å; W145-W206 HydrophobicContact CZ3-CH2 3.83Å; W145-W206 HydrophobicContact CZ3-CZ2 4.18Å; W145-M401 HydrophobicContact CH2-SD 4.02Å; W145-M401 HydrophobicContact CZ2-SD 3.73Å |
| 146 | L | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 132.6 | 165.6 | 176.7 | 66.8 | 0 | 0 | 0 | 107.7 | A86 I94 V96 L127 V137 W139 W158 F163 | A86-L146 HydrophobicContact CB-CD1 4.15Å; A86-L146 HydrophobicContact CB-CD2 4.09Å; I94-L146 HydrophobicContact CG2-CD2 4.33Å; V96-L146 HydrophobicContact CG2-CD2 4.33Å; L127-L146 HydrophobicContact CD1-CD2 3.86Å; V137-L146 HydrophobicContact CB-CD1 4.32Å; W139-L146 HydrophobicContact CD2-CD1 3.83Å; W139-L146 HydrophobicContact CE3-CB 4.32Å; W139-L146 HydrophobicContact CE3-CD1 4.34Å; W139-L146 HydrophobicContact CG-CD1 4.02Å; W139-L146 HydrophobicContact CZ2-CD1 4.39Å; W139-L146 HydrophobicContact CZ3-CB 4.48Å; L146-W158 HydrophobicContact CB-CB 4.35Å; L146-W158 PolarHBondContact N-O 3.24Å; L146-W158 VanDerWaalsContact N-O 3.1Å; L146-W158 PolarHBondContact O-N 3.24Å; L146-F163 HydrophobicContact CB-CE1 4.1Å; L146-F163 HydrophobicContact CB-CZ 4.11Å; L146-F163 HydrophobicContact CD2-CE1 3.91Å; L146-F163 HydrophobicContact CD2-CZ 3.93Å |
| 147 | A | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 145.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | V137 A138 V156 I157 L180 W182 I189 | V137-A147 CarbonylContact C-O 3.53Å; V137-A147 WeakPolarHBondContact CA-O 3.42Å; A138-A147 PolarHBondContact N-O 2.84Å; A138-A147 PolarHBondContact O-N 3.49Å; A147-V156 CarbonylContact C-O 3.56Å; A147-V156 WeakPolarHBondContact CA-O 3.43Å; A147-I157 HydrophobicContact CB-CD1 3.67Å; A147-L180 HydrophobicContact CB-CD1 3.81Å; A147-W182 HydrophobicContact CB-CZ2 3.71Å; A147-I189 HydrophobicContact CB-CD1 3.37Å |
| 148 | S | 98.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 148 | 170.9 | 61.7 | 0 | 0 | 0 | 0 | 110.8 | H130 D136 V155 V156 W158 L180 | H130-S148 PolarHBondContact CD2-OG 3.09Å; H130-S148 PolarHBondContact NE2-O 2.97Å; H130-S148 PolarHBondContact NE2-OG 3.03Å; D136-S148 WeakPolarHBondContact O-CA 3.46Å; S148-V155 CarbonylContact O-C 3.58Å; S148-V155 VanDerWaalsContact O-CA 3.27Å; S148-V155 WeakPolarHBondContact O-CA 3.37Å; S148-V155 WeakPolarHBondContact O-CG1 3.35Å; S148-V156 PolarHBondContact N-O 3.29Å; S148-V156 PolarHBondContact O-N 3.23Å; S148-W158 PolarHBondContact OG-NE1 3.25Å; S148-L180 VanDerWaalsContact C-CD1 3.48Å |
| 149 | C | 98.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 157.6 | 174.8 | 78.7 | 0 | 0 | 0 | 0 | 112.5 | M135 D136 T154 V155 V177 L180 | M135-C149 PolarHBondContact N-O 2.74Å; D136-C149 WeakPolarHBondContact CB-SG 3.39Å; D136-C149 PolarHBondContact O-N 3.48Å; C149-T154 WeakPolarHBondContact CA-O 3.44Å; C149-V155 HydrophobicContact CB-CG2 4Å; C149-V177 HydrophobicContact CB-CB 3.88Å; C149-V177 HydrophobicContact CB-CG1 3.53Å; C149-V177 PolarHBondContact SG-O 2.92Å; C149-V177 VanDerWaalsContact SG-O 3.34Å; C149-L180 HydrophobicContact CB-CD1 3.79Å; C149-L180 HydrophobicContact CB-CD2 4.12Å; C149-L180 HydrophobicContact CB-CG 3.82Å |
| 150 | S | 98.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 163.2 | -170.3 | 176.1 | 0 | 0 | 0 | 0 | 113.7 | H130 G132 D133 D152 N153 T154 V177 | H130-S150 VanDerWaalsContact CG-CB 3.47Å; H130-S150 WeakPolarHBondContact ND1-CB 3.34Å; G132-S150 PolarHBondContact O-OG 2.85Å; D133-S150 VanDerWaalsContact O-CA 3.24Å; D133-S150 WeakPolarHBondContact O-CA 3.19Å; D133-S150 VanDerWaalsContact O-CB 3.25Å; D133-S150 WeakPolarHBondContact O-CB 3.46Å; D133-S150 PolarHBondContact O-OG 3.33Å; S150-D152 WeakPolarHBondContact CB-OD1 3.35Å; S150-D152 PolarHBondContact O-N 2.67Å; S150-D152 PolarHBondContact OG-N 3.47Å; S150-D152 VanDerWaalsContact OG-N 3.14Å; S150-N153 PolarHBondContact O-N 2.84Å; S150-T154 PolarHBondContact N-O 2.99Å; S150-V177 PolarHBondContact O-N 2.66Å; S150-V177 VanDerWaalsContact O-N 3.08Å |
| 151 | V | 97.4 | Very high | 93.7 | Very high | 32 Ų | 32 | 21.8 Ų | 21.8 | 19% | 0.194 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -5.5 | 164.5 | -53 | 0 | 0 | 0 | 0 | 113.8 | D133 M135 N153 L176 | D133-V151 HydrophobicContact CB-CG1 4.2Å; D133-V151 HydrophobicContact CB-CG2 3.84Å; D133-V151 VanDerWaalsContact N-CG2 3.33Å; D133-V151 PolarHBondContact O-N 3.45Å; M135-V151 HydrophobicContact CG-CG1 3.66Å; M135-V151 HydrophobicContact SD-CG1 3.68Å; V151-N153 PolarHBondContact O-N 2.87Å; V151-N153 PolarHBondContact O-OD1 3.37Å; V151-L176 HydrophobicContact CB-CB 4.24Å; V151-L176 HydrophobicContact CB-CD1 4.31Å; V151-L176 HydrophobicContact CB-CD2 4.07Å; V151-L176 HydrophobicContact CB-CG 4.42Å; V151-L176 HydrophobicContact CG1-CB 4.26Å; V151-L176 HydrophobicContact CG1-CD1 4.2Å; V151-L176 VanDerWaalsContact O-CD2 3.31Å; V151-L176 WeakPolarHBondContact O-CD2 3.18Å |
| 152 | D | 97.4 | Very high | 93.9 | Very high | 33 Ų | 33 | 25.8 Ų | 25.8 | 18% | 0.176 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | 12.6 | 169.7 | 75.3 | 7.7 | 0 | 0 | 0 | 115.1 | H130 S131 S150 T154 | H130-D152 WeakPolarHBondContact CA-OD2 3.34Å; H130-D152 IonicContact CG-OD2 3.07Å; H130-D152 IonicContact ND1-OD1 2.76Å; H130-D152 PolarHBondContact ND1-OD1 2.86Å; H130-D152 IonicContact ND1-OD2 2.77Å; H130-D152 PolarHBondContact ND1-OD2 2.81Å; S131-D152 PolarHBondContact N-OD2 2.96Å; S131-D152 VanDerWaalsContact OG-CB 3.22Å; S131-D152 WeakPolarHBondContact OG-CB 3.48Å; S131-D152 PolarHBondContact OG-OD2 2.92Å; S150-D152 WeakPolarHBondContact CB-OD1 3.35Å; S150-D152 PolarHBondContact O-N 2.67Å; S150-D152 PolarHBondContact OG-N 3.47Å; S150-D152 VanDerWaalsContact OG-N 3.14Å; D152-T154 PolarHBondContact O-N 2.99Å; D152-T154 WeakPolarHBondContact OD1-CB 3.49Å; D152-T154 PolarHBondContact OD1-N 3.31Å; D152-T154 PolarHBondContact OD1-OG1 3.12Å |
| 153 | N | 97.9 | Very high | 94.6 | Very high | 48 Ų | 48 | 22 Ų | 22 | 26% | 0.257 | 11% | 0.113 | S | C | . | . | S | Bend | trans | 66.2 | 12.6 | -179.5 | -53 | -9.7 | 0 | 0 | 0 | 115 | S150 V151 S174 G175 L176 | S150-N153 PolarHBondContact O-N 2.84Å; V151-N153 PolarHBondContact O-N 2.87Å; V151-N153 PolarHBondContact O-OD1 3.37Å; N153-S174 PolarHBondContact ND2-O 3.49Å; N153-G175 WeakPolarHBondContact OD1-CA 3.48Å; N153-G175 PolarHBondContact OD1-O 2.87Å; N153-G175 VanDerWaalsContact OD1-O 3.09Å; N153-L176 PolarHBondContact OD1-N 3.41Å |
| 154 | T | 98 | Very high | 94.9 | Very high | 5 Ų | 5 | 24.8 Ų | 24.8 | 3% | 0.031 | 13% | 0.133 | C | C | . | . | trans | -111.9 | 160.3 | -179.5 | 73.6 | 0 | 0 | 0 | 0 | 114.2 | H130 C149 S150 D152 T169 R171 | H130-T154 PolarHBondContact CE1-OG1 2.81Å; H130-T154 VanDerWaalsContact CE1-OG1 3.28Å; H130-T154 PolarHBondContact ND1-OG1 2.87Å; H130-T154 VanDerWaalsContact ND1-OG1 3.16Å; C149-T154 WeakPolarHBondContact CA-O 3.44Å; S150-T154 PolarHBondContact N-O 2.99Å; D152-T154 PolarHBondContact O-N 2.99Å; D152-T154 WeakPolarHBondContact OD1-CB 3.49Å; D152-T154 PolarHBondContact OD1-N 3.31Å; D152-T154 PolarHBondContact OD1-OG1 3.12Å; T154-T169 HydrophobicContact CG2-CG2 4.25Å; T154-R171 HydrophobicContact CG2-CG 4.26Å; T154-R171 VanDerWaalsContact CG2-NH1 3.34Å | ||
| 155 | V | 98.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 131.1 | 162.3 | -178.9 | 0 | 0 | 0 | 0 | 107.9 | S148 C149 I157 T169 L170 V177 L180 | S148-V155 CarbonylContact O-C 3.58Å; S148-V155 VanDerWaalsContact O-CA 3.27Å; S148-V155 WeakPolarHBondContact O-CA 3.37Å; S148-V155 WeakPolarHBondContact O-CG1 3.35Å; C149-V155 HydrophobicContact CB-CG2 4Å; V155-I157 HydrophobicContact CG1-CD1 4.15Å; V155-T169 CarbonylContact O-C 3.6Å; V155-T169 WeakPolarHBondContact O-CA 3.31Å; V155-L170 HydrophobicContact CB-CB 4.06Å; V155-L170 HydrophobicContact CB-CD1 3.99Å; V155-L170 HydrophobicContact CB-CG 4.05Å; V155-L170 HydrophobicContact CG1-CD1 3.94Å; V155-L170 HydrophobicContact CG1-CG 4.32Å; V155-L170 PolarHBondContact N-O 3.1Å; V155-L170 VanDerWaalsContact N-O 3.16Å; V155-L170 PolarHBondContact O-N 3.23Å; V155-V177 HydrophobicContact CG2-CG1 4.05Å; V155-L180 HydrophobicContact CB-CD2 4.47Å; V155-L180 HydrophobicContact CG1-CD1 4.22Å; V155-L180 HydrophobicContact CG1-CD2 3.71Å; V155-L180 HydrophobicContact CG2-CD2 3.88Å |
| 156 | V | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 133.9 | 176.8 | 179.9 | 0 | 0 | 0 | 0 | 109.3 | A147 S148 W158 I166 T169 | A147-V156 CarbonylContact C-O 3.56Å; A147-V156 WeakPolarHBondContact CA-O 3.43Å; S148-V156 PolarHBondContact N-O 3.29Å; S148-V156 PolarHBondContact O-N 3.23Å; V156-W158 HydrophobicContact CB-CZ2 4.34Å; V156-W158 HydrophobicContact CG1-CD2 4.03Å; V156-W158 VanDerWaalsContact CG1-CE2 3.49Å; V156-W158 HydrophobicContact CG1-CG 4.44Å; V156-W158 HydrophobicContact CG1-CH2 4.37Å; V156-W158 HydrophobicContact CG1-CZ2 3.7Å; V156-I166 HydrophobicContact CG1-CD1 4.24Å; V156-I166 HydrophobicContact CG1-CG1 4.06Å; V156-I166 HydrophobicContact CG1-CG2 3.84Å; V156-T169 HydrophobicContact CG2-CG2 4.03Å |
| 157 | I | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 122.6 | 176.5 | -50.6 | -60.2 | 0 | 0 | 0 | 108.7 | W145 A147 V155 L167 A168 L170 W182 I189 W206 | W145-I157 HydrophobicContact CB-CG2 4.26Å; W145-I157 HydrophobicContact CG-CG2 4.41Å; A147-I157 HydrophobicContact CB-CD1 3.67Å; V155-I157 HydrophobicContact CG1-CD1 4.15Å; I157-L167 HydrophobicContact CG2-CB 4.39Å; I157-L167 PolarHBondContact O-N 2.93Å; I157-A168 HydrophobicContact CB-CB 4.2Å; I157-A168 HydrophobicContact CG1-CB 4.17Å; I157-A168 PolarHBondContact N-O 3.23Å; I157-A168 PolarHBondContact O-N 3.09Å; I157-L170 HydrophobicContact CD1-CD1 4.28Å; I157-L170 HydrophobicContact CG1-CD1 4.42Å; I157-L170 HydrophobicContact CG1-CD2 4.25Å; I157-L170 HydrophobicContact CG1-CG 4.34Å; I157-W182 HydrophobicContact CD1-CH2 4.23Å; I157-W182 HydrophobicContact CD1-CZ2 4.38Å; I157-W182 HydrophobicContact CG2-CH2 4.29Å; I157-I189 HydrophobicContact CD1-CD1 3.87Å; I157-W206 HydrophobicContact CD1-CE3 4.45Å; I157-W206 HydrophobicContact CD1-CZ3 4.1Å; I157-W206 HydrophobicContact CG1-CD2 4.39Å; I157-W206 HydrophobicContact CG1-CE3 3.89Å; I157-W206 HydrophobicContact CG1-CH2 4.39Å; I157-W206 HydrophobicContact CG1-CZ3 3.88Å; I157-W206 HydrophobicContact CG2-CH2 3.77Å; I157-W206 HydrophobicContact CG2-CZ2 3.93Å; I157-W206 HydrophobicContact CG2-CZ3 4.13Å |
| 158 | W | 97 | Very high | 94.7 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 141.4 | -176.1 | -53.2 | 88.4 | 0 | 0 | 0 | 110.8 | I94 L127 S129 W145 L146 S148 V156 A160 F163 P164 E165 I166 | I94-W158 HydrophobicContact CD1-CZ2 4.05Å; L127-W158 HydrophobicContact CB-CD2 4.13Å; L127-W158 HydrophobicContact CB-CE3 4.01Å; L127-W158 HydrophobicContact CB-CH2 3.55Å; L127-W158 HydrophobicContact CB-CZ2 3.67Å; L127-W158 HydrophobicContact CB-CZ3 3.73Å; L127-W158 HydrophobicContact CD1-CB 4.48Å; L127-W158 HydrophobicContact CD1-CD2 3.78Å; L127-W158 HydrophobicContact CD1-CE3 4.17Å; L127-W158 HydrophobicContact CD1-CG 3.92Å; L127-W158 HydrophobicContact CD2-CE3 4.34Å; L127-W158 HydrophobicContact CG-CD2 4.44Å; L127-W158 HydrophobicContact CG-CE3 4.4Å; S129-W158 VanDerWaalsContact CB-CH2 3.48Å; W145-W158 WeakPolarHBondContact CA-O 3.46Å; L146-W158 HydrophobicContact CB-CB 4.35Å; L146-W158 PolarHBondContact N-O 3.24Å; L146-W158 VanDerWaalsContact N-O 3.1Å; L146-W158 PolarHBondContact O-N 3.24Å; S148-W158 PolarHBondContact OG-NE1 3.25Å; V156-W158 HydrophobicContact CB-CZ2 4.34Å; V156-W158 HydrophobicContact CG1-CD2 4.03Å; V156-W158 VanDerWaalsContact CG1-CE2 3.49Å; V156-W158 HydrophobicContact CG1-CG 4.44Å; V156-W158 HydrophobicContact CG1-CH2 4.37Å; V156-W158 HydrophobicContact CG1-CZ2 3.7Å; W158-A160 PolarHBondContact O-N 3Å; W158-F163 HydrophobicContact CB-CD1 4.29Å; W158-F163 HydrophobicContact CB-CE1 3.97Å; W158-P164 HydrophobicContact CZ3-CB 4.44Å; W158-P164 WeakPolarHBondContact CZ3-O 3.4Å; W158-E165 CarbonylContact C-O 3.6Å; W158-E165 WeakPolarHBondContact CA-O 3.35Å; W158-I166 HydrophobicContact CD2-CG1 4.21Å; W158-I166 HydrophobicContact CE3-CD1 4.38Å; W158-I166 HydrophobicContact CE3-CG1 3.49Å; W158-I166 VanDerWaalsContact CE3-CG1 3.49Å; W158-I166 HydrophobicContact CH2-CD1 3.9Å; W158-I166 HydrophobicContact CH2-CG1 3.91Å; W158-I166 HydrophobicContact CZ3-CD1 3.74Å; W158-I166 HydrophobicContact CZ3-CG1 3.31Å |
| 159 | N | 90.1 | Very high | 94.7 | Very high | 22 Ų | 22 | 35.5 Ų | 35.5 | 12% | 0.118 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 107.6 | 168.5 | -177.6 | -8.2 | 0 | 0 | 0 | 109.4 | V161 K162 F163 E165 L167 | N159-V161 VanDerWaalsContact C-N 3.28Å; N159-V161 PolarHBondContact O-N 3.46Å; N159-V161 PolarHBondContact OD1-N 3.4Å; N159-V161 VanDerWaalsContact OD1-N 3.07Å; N159-K162 CarbonylContact O-C 3.59Å; N159-K162 VanDerWaalsContact O-C 3.27Å; N159-K162 PolarHBondContact O-N 3.01Å; N159-K162 PolarHBondContact OD1-N 2.66Å; N159-F163 PolarHBondContact O-N 2.9Å; N159-F163 VanDerWaalsContact O-N 3.12Å; N159-E165 HydrophobicContact CB-CB 4.11Å; N159-E165 HydrophobicContact CB-CG 4.27Å; N159-E165 PolarHBondContact N-O 3.19Å; N159-E165 PolarHBondContact ND2-OE2 2.94Å; N159-L167 HydrophobicContact CB-CD1 4Å; N159-L167 HydrophobicContact CB-CD2 4.07Å; N159-L167 HydrophobicContact CB-CG 3.94Å |
| 160 | A | 89 | Confident | 94.6 | Very high | 8 Ų | 8 | 35.9 Ų | 35.9 | 7% | 0.066 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -16.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | W139 D143 A144 W158 F163 | W139-A160 HydrophobicContact CE3-CB 4.33Å; W139-A160 HydrophobicContact CZ3-CB 3.8Å; D143-A160 WeakPolarHBondContact O-CB 3.35Å; A144-A160 PolarHBondContact O-N 2.99Å; A144-A160 VanDerWaalsContact O-N 3.11Å; W158-A160 PolarHBondContact O-N 3Å; A160-F163 VanDerWaalsContact CA-CZ 3.49Å; A160-F163 HydrophobicContact CB-CE1 4.26Å; A160-F163 HydrophobicContact CB-CE2 3.99Å; A160-F163 HydrophobicContact CB-CZ 3.65Å; A160-F163 WeakPolarHBondContact O-CD2 3.23Å; A160-F163 WeakPolarHBondContact O-CE2 3.47Å |
| 161 | V | 86.6 | Confident | 94.5 | Very high | 85 Ų | 85 | 44.3 Ų | 44.3 | 52% | 0.515 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -18.5 | 172.1 | 172.9 | 0 | 0 | 0 | 0 | 112 | N159 Y404 | N159-V161 VanDerWaalsContact C-N 3.28Å; N159-V161 PolarHBondContact O-N 3.46Å; N159-V161 PolarHBondContact OD1-N 3.4Å; N159-V161 VanDerWaalsContact OD1-N 3.07Å; V161-Y404 HydrophobicContact CB-CE2 4.1Å; V161-Y404 HydrophobicContact CG1-CE2 4.46Å; V161-Y404 HydrophobicContact CG2-CE2 3.71Å; V161-Y404 VanDerWaalsContact CG2-OH 3.28Å; V161-Y404 WeakPolarHBondContact CG2-OH 3.2Å |
| 162 | K | 87.1 | Confident | 94.2 | Very high | 123 Ų | 123 | 45 Ų | 45 | 54% | 0.535 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -138.9 | 50.7 | -177 | -162.2 | -172.2 | 157.5 | -155.5 | 0 | 112 | N159 E165 | N159-K162 CarbonylContact O-C 3.59Å; N159-K162 VanDerWaalsContact O-C 3.27Å; N159-K162 PolarHBondContact O-N 3.01Å; N159-K162 PolarHBondContact OD1-N 2.66Å; K162-E165 WeakPolarHBondContact CE-OE1 3.49Å; K162-E165 IonicContact NZ-OE1 3.18Å; K162-E165 PolarHBondContact NZ-OE1 2.89Å; K162-E165 WeakPolarHBondContact O-CB 3.39Å; K162-E165 PolarHBondContact O-N 3.31Å |
| 163 | F | 90.8 | Very high | 94.2 | Very high | 35 Ų | 35 | 44.2 Ų | 44.2 | 15% | 0.154 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 140.9 | 172.3 | -69.5 | -60.9 | 0 | 0 | 0 | 111 | V96 S125 L127 W139 L146 W158 N159 A160 | V96-F163 HydrophobicContact CG1-CD2 4.4Å; V96-F163 HydrophobicContact CG1-CE2 3.92Å; V96-F163 HydrophobicContact CG1-CZ 4.45Å; V96-F163 HydrophobicContact CG2-CD2 4.43Å; V96-F163 HydrophobicContact CG2-CE1 4.22Å; V96-F163 HydrophobicContact CG2-CE2 4.08Å; V96-F163 HydrophobicContact CG2-CZ 3.95Å; S125-F163 WeakPolarHBondContact OG-CB 3.34Å; L127-F163 HydrophobicContact CD1-CD1 3.85Å; L127-F163 HydrophobicContact CD1-CE1 3.71Å; L127-F163 HydrophobicContact CD2-CB 4.04Å; L127-F163 HydrophobicContact CD2-CD1 3.56Å; L127-F163 HydrophobicContact CD2-CE1 4.27Å; L127-F163 HydrophobicContact CD2-CG 4.05Å; L127-F163 HydrophobicContact CG-CD1 4.37Å; W139-F163 HydrophobicContact CH2-CE2 4.04Å; W139-F163 AromaticContact CH2-CZ 3.87Å; W139-F163 HydrophobicContact CH2-CZ 3.87Å; W139-F163 HydrophobicContact CZ3-CE2 4.28Å; W139-F163 AromaticContact CZ3-CZ 3.98Å; W139-F163 HydrophobicContact CZ3-CZ 3.98Å; L146-F163 HydrophobicContact CB-CE1 4.1Å; L146-F163 HydrophobicContact CB-CZ 4.11Å; L146-F163 HydrophobicContact CD2-CE1 3.91Å; L146-F163 HydrophobicContact CD2-CZ 3.93Å; W158-F163 HydrophobicContact CB-CD1 4.29Å; W158-F163 HydrophobicContact CB-CE1 3.97Å; N159-F163 PolarHBondContact O-N 2.9Å; N159-F163 VanDerWaalsContact O-N 3.12Å; A160-F163 VanDerWaalsContact CA-CZ 3.49Å; A160-F163 HydrophobicContact CB-CE1 4.26Å; A160-F163 HydrophobicContact CB-CE2 3.99Å; A160-F163 HydrophobicContact CB-CZ 3.65Å; A160-F163 WeakPolarHBondContact O-CD2 3.23Å; A160-F163 WeakPolarHBondContact O-CE2 3.47Å |
| 164 | P | 94.1 | Very high | 94.1 | Very high | 82 Ų | 82 | 46.6 Ų | 46.6 | 53% | 0.532 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -98.3 | 35.7 | 4.5 | 40.5 | -36.4 | 0 | 0 | 0 | 113.8 | L127 W158 I166 | L127-P164 HydrophobicContact CD2-CB 3.78Å; W158-P164 HydrophobicContact CZ3-CB 4.44Å; W158-P164 WeakPolarHBondContact CZ3-O 3.4Å; P164-I166 PolarHBondContact O-N 3.01Å |
| 165 | E | 93.4 | Very high | 94 | Very high | 68 Ų | 68 | 46.9 Ų | 46.9 | 32% | 0.318 | 26% | 0.26 | S | S | . | . | trans | -62.9 | 130.4 | -180 | -179.7 | 173.2 | -98.1 | 0 | 0 | 112.3 | W158 N159 K162 | W158-E165 CarbonylContact C-O 3.6Å; W158-E165 WeakPolarHBondContact CA-O 3.35Å; N159-E165 HydrophobicContact CB-CB 4.11Å; N159-E165 HydrophobicContact CB-CG 4.27Å; N159-E165 PolarHBondContact N-O 3.19Å; N159-E165 PolarHBondContact ND2-OE2 2.94Å; K162-E165 WeakPolarHBondContact CE-OE1 3.49Å; K162-E165 IonicContact NZ-OE1 3.18Å; K162-E165 PolarHBondContact NZ-OE1 2.89Å; K162-E165 WeakPolarHBondContact O-CB 3.39Å; K162-E165 PolarHBondContact O-N 3.31Å | ||
| 166 | I | 95.5 | Very high | 93.9 | Very high | 69 Ų | 69 | 50 Ų | 50 | 35% | 0.354 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 131.4 | 175.6 | -62.9 | 169 | 0 | 0 | 0 | 108.4 | V156 W158 P164 A168 | V156-I166 HydrophobicContact CG1-CD1 4.24Å; V156-I166 HydrophobicContact CG1-CG1 4.06Å; V156-I166 HydrophobicContact CG1-CG2 3.84Å; W158-I166 HydrophobicContact CD2-CG1 4.21Å; W158-I166 HydrophobicContact CE3-CD1 4.38Å; W158-I166 HydrophobicContact CE3-CG1 3.49Å; W158-I166 VanDerWaalsContact CE3-CG1 3.49Å; W158-I166 HydrophobicContact CH2-CD1 3.9Å; W158-I166 HydrophobicContact CH2-CG1 3.91Å; W158-I166 HydrophobicContact CZ3-CD1 3.74Å; W158-I166 HydrophobicContact CZ3-CG1 3.31Å; P164-I166 PolarHBondContact O-N 3.01Å; I166-A168 WeakPolarHBondContact CG2-O 3.39Å |
| 167 | L | 90.1 | Very high | 93.9 | Very high | 71 Ų | 71 | 50 Ų | 50 | 37% | 0.372 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | -35.3 | 175.9 | -62.4 | 176.5 | 0 | 0 | 0 | 112.2 | W145 I157 N159 | W145-L167 HydrophobicContact CG-CD1 4.31Å; W145-L167 VanDerWaalsContact NE1-CD1 3.29Å; I157-L167 HydrophobicContact CG2-CB 4.39Å; I157-L167 PolarHBondContact O-N 2.93Å; N159-L167 HydrophobicContact CB-CD1 4Å; N159-L167 HydrophobicContact CB-CD2 4.07Å; N159-L167 HydrophobicContact CB-CG 3.94Å |
| 168 | A | 93.8 | Very high | 93.9 | Very high | 15 Ų | 15 | 50.7 Ų | 50.7 | 12% | 0.124 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 158.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I157 I166 L170 W206 | I157-A168 HydrophobicContact CB-CB 4.2Å; I157-A168 HydrophobicContact CG1-CB 4.17Å; I157-A168 PolarHBondContact N-O 3.23Å; I157-A168 PolarHBondContact O-N 3.09Å; I166-A168 WeakPolarHBondContact CG2-O 3.39Å; A168-L170 HydrophobicContact CB-CD2 3.98Å; A168-W206 HydrophobicContact CB-CB 3.76Å; A168-W206 HydrophobicContact CB-CD2 4Å; A168-W206 HydrophobicContact CB-CG 3.5Å; A168-W206 VanDerWaalsContact CB-CG 3.5Å |
| 169 | T | 97.6 | Very high | 93.9 | Very high | 47 Ų | 47 | 50.6 Ų | 50.6 | 29% | 0.288 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 104.2 | 165.3 | -57.7 | 0 | 0 | 0 | 0 | 108.1 | T154 V155 V156 R171 | T154-T169 HydrophobicContact CG2-CG2 4.25Å; V155-T169 CarbonylContact O-C 3.6Å; V155-T169 WeakPolarHBondContact O-CA 3.31Å; V156-T169 HydrophobicContact CG2-CG2 4.03Å; T169-R171 HydrophobicContact CG2-CG 4.28Å; T169-R171 PolarHBondContact O-N 3.24Å |
| 170 | L | 98 | Very high | 94.2 | Very high | 7 Ų | 7 | 49.7 Ų | 49.7 | 4% | 0.037 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 122.7 | -178 | -34.1 | -178.8 | 0 | 0 | 0 | 108.1 | V155 I157 A168 I189 W201 W206 | V155-L170 HydrophobicContact CB-CB 4.06Å; V155-L170 HydrophobicContact CB-CD1 3.99Å; V155-L170 HydrophobicContact CB-CG 4.05Å; V155-L170 HydrophobicContact CG1-CD1 3.94Å; V155-L170 HydrophobicContact CG1-CG 4.32Å; V155-L170 PolarHBondContact N-O 3.1Å; V155-L170 VanDerWaalsContact N-O 3.16Å; V155-L170 PolarHBondContact O-N 3.23Å; I157-L170 HydrophobicContact CD1-CD1 4.28Å; I157-L170 HydrophobicContact CG1-CD1 4.42Å; I157-L170 HydrophobicContact CG1-CD2 4.25Å; I157-L170 HydrophobicContact CG1-CG 4.34Å; A168-L170 HydrophobicContact CB-CD2 3.98Å; L170-I189 HydrophobicContact CD1-CG2 4.03Å; L170-W201 HydrophobicContact CB-CD2 4.04Å; L170-W201 HydrophobicContact CB-CE3 3.95Å; L170-W201 HydrophobicContact CB-CH2 4.15Å; L170-W201 HydrophobicContact CB-CZ2 4.22Å; L170-W201 HydrophobicContact CB-CZ3 4.01Å; L170-W201 HydrophobicContact CD1-CB 3.99Å; L170-W201 HydrophobicContact CD1-CD2 3.85Å; L170-W201 HydrophobicContact CD1-CE3 4.4Å; L170-W201 HydrophobicContact CD1-CG 3.64Å; L170-W201 HydrophobicContact CG-CD2 4.47Å; L170-W206 HydrophobicContact CD2-CB 3.76Å; L170-W206 HydrophobicContact CD2-CE3 4.25Å; L170-W206 HydrophobicContact CD2-CG 4.43Å |
| 171 | R | 96.3 | Very high | 94.7 | Very high | 178 Ų | 178 | 50 Ų | 50 | 67% | 0.672 | 28% | 0.275 | S | S | * | . | trans | -125.3 | 142.5 | -179.6 | -62.1 | -177.2 | -178.3 | -82.7 | -5 | 108.7 | T154 T169 W201 | T154-R171 HydrophobicContact CG2-CG 4.26Å; T154-R171 VanDerWaalsContact CG2-NH1 3.34Å; T169-R171 HydrophobicContact CG2-CG 4.28Å; T169-R171 PolarHBondContact O-N 3.24Å; R171-W201 WeakPolarHBondContact O-CH2 3.39Å | ||
| 172 | G | 91.1 | Very high | 95.1 | Very high | 47 Ų | 47 | 46.9 Ų | 46.9 | 49% | 0.485 | 25% | 0.254 | S | S | . | . | trans | 142.5 | -8.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | K199 | G172-K199 WeakPolarHBondContact O-CE 3.36Å; G172-K199 PolarHBondContact O-NZ 3.47Å | ||
| 173 | H | 97.3 | Very high | 95.5 | Very high | 15 Ų | 15 | 41 Ų | 41 | 7% | 0.069 | 23% | 0.228 | C | C | . | . | trans | -73.5 | 145.2 | 156.3 | -81.1 | -65.9 | 0 | 0 | 0 | 110 | V177 S191 A193 D195 S197 K199 | H173-V177 HydrophobicContact CB-CG2 3.91Å; H173-S191 PolarHBondContact CD2-OG 3.02Å; H173-S191 PolarHBondContact NE2-OG 3.05Å; H173-A193 HydrophobicContact CB-CB 4.29Å; H173-A193 VanDerWaalsContact ND1-CB 3.32Å; H173-A193 WeakPolarHBondContact ND1-CB 3.48Å; H173-D195 WeakPolarHBondContact CA-OD2 3.4Å; H173-D195 WeakPolarHBondContact CB-OD2 3.39Å; H173-D195 IonicContact CE1-OD1 2.76Å; H173-D195 IonicContact CG-OD2 3.6Å; H173-D195 IonicContact ND1-OD1 3.75Å; H173-D195 PolarHBondContact ND1-OD1 2.92Å; H173-D195 IonicContact ND1-OD2 2.7Å; H173-D195 PolarHBondContact ND1-OD2 3.46Å; H173-S197 PolarHBondContact CE1-OG 3.09Å; H173-S197 VanDerWaalsContact CE1-OG 3.31Å; H173-S197 PolarHBondContact ND1-OG 2.94Å; H173-K199 VanDerWaalsContact ND1-CE 3.28Å; H173-K199 WeakPolarHBondContact ND1-CE 3.48Å | ||
| 174 | S | 95.5 | Very high | 95.4 | Very high | 99 Ų | 99 | 40.7 Ų | 40.7 | 69% | 0.692 | 23% | 0.23 | S | C | * | . | trans | -108.9 | 2.4 | 177 | 58.4 | 0 | 0 | 0 | 0 | 113.3 | N153 D195 | N153-S174 PolarHBondContact ND2-O 3.49Å; S174-D195 PolarHBondContact N-OD2 2.81Å; S174-D195 VanDerWaalsContact OG-CB 3.27Å; S174-D195 WeakPolarHBondContact OG-CB 3.36Å | ||
| 175 | G | 95 | Very high | 94.9 | Very high | 11 Ų | 11 | 37.1 Ų | 37.1 | 11% | 0.113 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -144.5 | 175.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | N153 V177 | N153-G175 WeakPolarHBondContact OD1-CA 3.48Å; N153-G175 PolarHBondContact OD1-O 2.87Å; N153-G175 VanDerWaalsContact OD1-O 3.09Å; G175-V177 PolarHBondContact O-N 3.05Å |
| 176 | L | 97.1 | Very high | 94.4 | Very high | 65 Ų | 65 | 34.4 Ų | 34.4 | 34% | 0.34 | 20% | 0.197 | S | C | . | . | trans | -61.7 | 122.5 | -166.1 | -38.9 | -173 | 0 | 0 | 0 | 111 | V151 N153 A193 D194 | V151-L176 HydrophobicContact CB-CB 4.24Å; V151-L176 HydrophobicContact CB-CD1 4.31Å; V151-L176 HydrophobicContact CB-CD2 4.07Å; V151-L176 HydrophobicContact CB-CG 4.42Å; V151-L176 HydrophobicContact CG1-CB 4.26Å; V151-L176 HydrophobicContact CG1-CD1 4.2Å; V151-L176 VanDerWaalsContact O-CD2 3.31Å; V151-L176 WeakPolarHBondContact O-CD2 3.18Å; N153-L176 PolarHBondContact OD1-N 3.41Å; L176-A193 CarbonylContact O-C 3.59Å; L176-A193 WeakPolarHBondContact O-CA 3.49Å; L176-A193 VanDerWaalsContact O-CB 3.31Å; L176-A193 WeakPolarHBondContact O-CB 3.29Å; L176-D194 HydrophobicContact CB-CB 4.33Å; L176-D194 WeakPolarHBondContact CD1-OD2 3.4Å; L176-D194 HydrophobicContact CG-CB 4.44Å; L176-D194 WeakPolarHBondContact CG-OD2 3.4Å; L176-D194 PolarHBondContact O-N 3.08Å | ||
| 177 | V | 98.2 | Very high | 94 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 122.7 | -178.8 | -168.9 | 0 | 0 | 0 | 0 | 109 | M135 C149 S150 V155 H173 G175 A193 | M135-V177 WeakPolarHBondContact CB-O 3.13Å; C149-V177 HydrophobicContact CB-CB 3.88Å; C149-V177 HydrophobicContact CB-CG1 3.53Å; C149-V177 PolarHBondContact SG-O 2.92Å; C149-V177 VanDerWaalsContact SG-O 3.34Å; S150-V177 PolarHBondContact O-N 2.66Å; S150-V177 VanDerWaalsContact O-N 3.08Å; V155-V177 HydrophobicContact CG2-CG1 4.05Å; H173-V177 HydrophobicContact CB-CG2 3.91Å; G175-V177 PolarHBondContact O-N 3.05Å; V177-A193 HydrophobicContact CB-CB 4.38Å; V177-A193 HydrophobicContact CG2-CB 4.11Å |
| 178 | K | 97.5 | Very high | 94.3 | Very high | 15 Ų | 15 | 33.1 Ų | 33.1 | 7% | 0.065 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 6.5 | -166.8 | -75 | 177.4 | 176.5 | 164.5 | 0 | 114.9 | M135 Q192 D194 T222 T223 L226 R227 | M135-K178 HydrophobicContact CB-CG 4.48Å; M135-K178 HydrophobicContact CE-CG 4.4Å; M135-K178 HydrophobicContact CG-CG 4.28Å; K178-Q192 PolarHBondContact N-O 3.22Å; K178-D194 WeakPolarHBondContact CD-OD1 3.32Å; K178-D194 WeakPolarHBondContact CE-OD1 3.43Å; K178-D194 WeakPolarHBondContact CE-OD2 3.47Å; K178-D194 IonicContact NZ-OD1 3.1Å; K178-D194 PolarHBondContact NZ-OD1 3.32Å; K178-D194 IonicContact NZ-OD2 3.13Å; K178-D194 PolarHBondContact NZ-OD2 2.56Å; K178-T222 PolarHBondContact NZ-OG1 3.46Å; K178-T223 PolarHBondContact NZ-O 3.22Å; K178-L226 HydrophobicContact CB-CB 3.95Å; K178-L226 HydrophobicContact CB-CD1 4.12Å; K178-L226 HydrophobicContact CB-CG 4.07Å; K178-L226 HydrophobicContact CD-CD1 4.41Å; K178-L226 PolarHBondContact O-N 3.34Å; K178-R227 PolarHBondContact O-NH1 2.85Å |
| 179 | G | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 141.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | D136 S191 Q192 L226 | D136-G179 VanDerWaalsContact OD2-CA 3.31Å; D136-G179 WeakPolarHBondContact OD2-CA 3.3Å; G179-S191 WeakPolarHBondContact O-CA 3.43Å; G179-Q192 PolarHBondContact N-O 3.29Å; G179-Q192 PolarHBondContact O-N 3.01Å; G179-L226 WeakPolarHBondContact CA-O 3.4Å |
| 180 | L | 98.1 | Very high | 94.5 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 146.5 | 170.9 | -71.1 | 176 | 0 | 0 | 0 | 112.7 | D136 A138 A147 S148 C149 V155 I189 A190 | D136-L180 HydrophobicContact CB-CB 4.4Å; D136-L180 HydrophobicContact CB-CG 4.39Å; D136-L180 PolarHBondContact OD2-N 3.21Å; A138-L180 HydrophobicContact CB-CB 4.09Å; A147-L180 HydrophobicContact CB-CD1 3.81Å; S148-L180 VanDerWaalsContact C-CD1 3.48Å; C149-L180 HydrophobicContact CB-CD1 3.79Å; C149-L180 HydrophobicContact CB-CD2 4.12Å; C149-L180 HydrophobicContact CB-CG 3.82Å; V155-L180 HydrophobicContact CB-CD2 4.47Å; V155-L180 HydrophobicContact CG1-CD1 4.22Å; V155-L180 HydrophobicContact CG1-CD2 3.71Å; V155-L180 HydrophobicContact CG2-CD2 3.88Å; L180-I189 HydrophobicContact CD2-CD1 4.17Å; L180-A190 WeakPolarHBondContact CA-O 3.39Å |
| 181 | T | 98.1 | Very high | 94.5 | Very high | 15 Ų | 15 | 29.9 Ų | 29.9 | 9% | 0.092 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 141.2 | 167.6 | -172.7 | 0 | 0 | 0 | 0 | 111.6 | I189 A190 L228 W230 L237 | T181-I189 WeakPolarHBondContact O-CG1 3.34Å; T181-A190 HydrophobicContact CG2-CB 3.95Å; T181-A190 PolarHBondContact N-O 2.73Å; T181-A190 PolarHBondContact O-N 2.96Å; T181-L228 HydrophobicContact CG2-CD1 3.87Å; T181-L228 HydrophobicContact CG2-CD2 4.45Å; T181-L228 HydrophobicContact CG2-CG 3.61Å; T181-W230 HydrophobicContact CG2-CG 4.49Å; T181-W230 PolarHBondContact OG1-N 2.85Å; T181-L237 HydrophobicContact CG2-CD1 3.57Å |
| 182 | W | 96.6 | Very high | 94.6 | Very high | 18 Ų | 18 | 21.6 Ų | 21.6 | 7% | 0.068 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 142.1 | 173.7 | -67.1 | 93.1 | 0 | 0 | 0 | 110.8 | A138 W139 W145 A147 I157 I189 T203 W206 | A138-W182 PolarHBondContact O-NE1 2.85Å; W139-W182 VanDerWaalsContact C-CD1 3.41Å; W145-W182 HydrophobicContact CB-CH2 3.8Å; W145-W182 HydrophobicContact CB-CZ2 3.9Å; W145-W182 HydrophobicContact CD2-CH2 4.23Å; W145-W182 AromaticContact CE3-CH2 3.64Å; W145-W182 HydrophobicContact CE3-CH2 3.64Å; W145-W182 AromaticContact CE3-CZ3 3.58Å; W145-W182 HydrophobicContact CE3-CZ3 3.58Å; W145-W182 HydrophobicContact CG-CH2 4.35Å; W145-W182 HydrophobicContact CZ3-CZ3 4.12Å; A147-W182 HydrophobicContact CB-CZ2 3.71Å; I157-W182 HydrophobicContact CD1-CH2 4.23Å; I157-W182 HydrophobicContact CD1-CZ2 4.38Å; I157-W182 HydrophobicContact CG2-CH2 4.29Å; W182-I189 HydrophobicContact CD2-CB 4.32Å; W182-I189 HydrophobicContact CD2-CD1 4.14Å; W182-I189 HydrophobicContact CD2-CG1 4.21Å; W182-I189 HydrophobicContact CE3-CB 3.94Å; W182-I189 HydrophobicContact CE3-CD1 4.42Å; W182-I189 HydrophobicContact CE3-CG1 4.34Å; W182-I189 HydrophobicContact CH2-CD1 4.3Å; W182-I189 HydrophobicContact CZ2-CD1 4.01Å; W182-I189 HydrophobicContact CZ3-CB 4.18Å; W182-I189 HydrophobicContact CZ3-CD1 4.49Å; W182-T203 HydrophobicContact CE3-CG2 4.17Å; W182-T203 HydrophobicContact CZ3-CG2 3.74Å; W182-W206 AromaticContact CH2-CH2 3.78Å; W182-W206 HydrophobicContact CH2-CH2 3.78Å; W182-W206 HydrophobicContact CH2-CZ3 4Å; W182-W206 AromaticContact CZ3-CH2 3.89Å; W182-W206 HydrophobicContact CZ3-CH2 3.89Å; W182-W206 HydrophobicContact CZ3-CZ3 4.01Å |
| 183 | D | 93.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -61.1 | 128.2 | 165.1 | 168.7 | 27 | 0 | 0 | 0 | 109.6 | P141 V185 G186 K187 Y188 W230 R255 | P141-D183 WeakPolarHBondContact CG-O 3.45Å; D183-V185 PolarHBondContact O-N 3.05Å; D183-V185 WeakPolarHBondContact OD1-CB 3.48Å; D183-V185 WeakPolarHBondContact OD1-CG2 3.31Å; D183-V185 PolarHBondContact OD1-N 2.83Å; D183-G186 WeakPolarHBondContact O-CA 3.02Å; D183-G186 PolarHBondContact O-N 2.9Å; D183-G186 PolarHBondContact OD2-N 2.88Å; D183-K187 WeakPolarHBondContact OD2-CB 3.34Å; D183-K187 PolarHBondContact OD2-N 2.79Å; D183-Y188 WeakPolarHBondContact CB-O 3.18Å; D183-Y188 PolarHBondContact N-O 2.87Å; D183-Y188 PolarHBondContact OD2-N 2.86Å; D183-W230 HydrophobicContact CB-CD2 4.41Å; D183-W230 HydrophobicContact CB-CZ2 4.38Å; D183-R255 VanDerWaalsContact CG-NH1 3.35Å; D183-R255 IonicContact OD1-CZ 2.83Å; D183-R255 IonicContact OD1-NH1 2.69Å; D183-R255 PolarHBondContact OD1-NH1 3.01Å; D183-R255 IonicContact OD1-NH2 3.34Å; D183-R255 PolarHBondContact OD1-NH2 3.33Å; D183-R255 IonicContact OD2-CZ 2.84Å; D183-R255 IonicContact OD2-NH1 3.55Å; D183-R255 IonicContact OD2-NH2 3.61Å; D183-R255 PolarHBondContact OD2-NH2 3.09Å | ||
| 184 | P | 89.6 | Confident | 94.8 | Very high | 28 Ų | 28 | 21 Ų | 21 | 18% | 0.182 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -22.4 | 176.4 | 27.8 | -37.3 | 0 | 0 | 0 | 112.8 | G186 S231 A384 | P184-G186 VanDerWaalsContact C-N 3.26Å; P184-S231 WeakPolarHBondContact CG-O 3.28Å; P184-A384 WeakPolarHBondContact O-CB 3.47Å |
| 185 | V | 84.3 | Confident | 94.8 | Very high | 7 Ų | 7 | 18 Ų | 18 | 4% | 0.042 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -7.8 | 175.2 | -164.4 | 0 | 0 | 0 | 0 | 111.5 | D183 K187 Y379 S382 | D183-V185 PolarHBondContact O-N 3.05Å; D183-V185 WeakPolarHBondContact OD1-CB 3.48Å; D183-V185 WeakPolarHBondContact OD1-CG2 3.31Å; D183-V185 PolarHBondContact OD1-N 2.83Å; V185-K187 VanDerWaalsContact C-N 3.33Å; V185-K187 PolarHBondContact O-N 2.91Å; V185-Y379 HydrophobicContact CB-CD2 4.34Å; V185-Y379 HydrophobicContact CG1-CD2 3.83Å; V185-Y379 HydrophobicContact CG1-CG 4.03Å; V185-Y379 HydrophobicContact CG2-CD2 3.5Å; V185-Y379 VanDerWaalsContact CG2-CD2 3.5Å; V185-Y379 HydrophobicContact CG2-CE2 3.57Å; V185-Y379 HydrophobicContact CG2-CG 4.32Å; V185-S382 WeakPolarHBondContact CG1-OG 3.48Å; V185-S382 PolarHBondContact O-OG 2.9Å |
| 186 | G | 82.9 | Confident | 94.8 | Very high | 11 Ų | 11 | 23.4 Ų | 23.4 | 11% | 0.113 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 75.8 | 5.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | D183 P184 T203 | D183-G186 WeakPolarHBondContact O-CA 3.02Å; D183-G186 PolarHBondContact O-N 2.9Å; D183-G186 PolarHBondContact OD2-N 2.88Å; P184-G186 VanDerWaalsContact C-N 3.26Å; G186-T203 WeakPolarHBondContact O-CB 3.5Å; G186-T203 WeakPolarHBondContact O-CG2 3.5Å; G186-T203 PolarHBondContact O-OG1 3.37Å |
| 187 | K | 87.4 | Confident | 94.7 | Very high | 102 Ų | 102 | 20.5 Ų | 20.5 | 44% | 0.443 | 10% | 0.098 | S | C | . | . | S | Bend | trans | -80.6 | -27.4 | -178.7 | -169.4 | -178 | 177.6 | -157.3 | 0 | 112.8 | D183 V185 T203 | D183-K187 WeakPolarHBondContact OD2-CB 3.34Å; D183-K187 PolarHBondContact OD2-N 2.79Å; V185-K187 VanDerWaalsContact C-N 3.33Å; V185-K187 PolarHBondContact O-N 2.91Å; K187-T203 PolarHBondContact O-N 3.27Å; K187-T203 PolarHBondContact O-OG1 3.06Å; K187-T203 VanDerWaalsContact O-OG1 3.1Å |
| 188 | Y | 94.8 | Very high | 94.7 | Very high | 12 Ų | 12 | 20.5 Ų | 20.5 | 5% | 0.047 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 155.2 | -173.6 | -57.7 | -68.2 | 0 | 0 | 0 | 114.4 | D183 V200 W201 R202 E209 W258 | D183-Y188 WeakPolarHBondContact CB-O 3.18Å; D183-Y188 PolarHBondContact N-O 2.87Å; D183-Y188 PolarHBondContact OD2-N 2.86Å; Y188-V200 HydrophobicContact CD1-CG1 3.76Å; Y188-V200 HydrophobicContact CG-CG1 3.8Å; Y188-W201 CarbonylContact C-O 3.5Å; Y188-W201 VanDerWaalsContact CA-O 3.27Å; Y188-W201 WeakPolarHBondContact CA-O 3.45Å; Y188-R202 HydrophobicContact CD1-CG 4.3Å; Y188-R202 HydrophobicContact CE1-CG 3.95Å; Y188-E209 HydrophobicContact CD1-CB 4.44Å; Y188-E209 HydrophobicContact CD1-CG 4.49Å; Y188-E209 HydrophobicContact CE1-CB 4.02Å; Y188-E209 HydrophobicContact CE1-CG 3.65Å; Y188-E209 WeakPolarHBondContact CE1-OE1 3.02Å; Y188-E209 VanDerWaalsContact CZ-OE1 3.27Å; Y188-E209 PolarHBondContact OH-OE1 2.62Å; Y188-W258 AromaticContact CD2-CH2 3.98Å; Y188-W258 HydrophobicContact CD2-CH2 3.98Å; Y188-W258 HydrophobicContact CD2-CZ2 4.28Å; Y188-W258 HydrophobicContact CE1-CZ2 4.16Å; Y188-W258 AromaticContact CE2-CH2 3.98Å; Y188-W258 HydrophobicContact CE2-CH2 3.98Å; Y188-W258 AromaticContact CE2-CZ2 3.88Å; Y188-W258 HydrophobicContact CE2-CZ2 3.88Å; Y188-W258 HydrophobicContact CG-CH2 4.35Å; Y188-W258 AromaticContact CZ-CZ2 3.81Å |
| 189 | I | 97.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 142.3 | 157.1 | -173.6 | 175.7 | 0 | 0 | 0 | 108.3 | A147 I157 L170 L180 T181 W182 V200 W201 W206 | A147-I189 HydrophobicContact CB-CD1 3.37Å; I157-I189 HydrophobicContact CD1-CD1 3.87Å; L170-I189 HydrophobicContact CD1-CG2 4.03Å; L180-I189 HydrophobicContact CD2-CD1 4.17Å; T181-I189 WeakPolarHBondContact O-CG1 3.34Å; W182-I189 HydrophobicContact CD2-CB 4.32Å; W182-I189 HydrophobicContact CD2-CD1 4.14Å; W182-I189 HydrophobicContact CD2-CG1 4.21Å; W182-I189 HydrophobicContact CE3-CB 3.94Å; W182-I189 HydrophobicContact CE3-CD1 4.42Å; W182-I189 HydrophobicContact CE3-CG1 4.34Å; W182-I189 HydrophobicContact CH2-CD1 4.3Å; W182-I189 HydrophobicContact CZ2-CD1 4.01Å; W182-I189 HydrophobicContact CZ3-CB 4.18Å; W182-I189 HydrophobicContact CZ3-CD1 4.49Å; I189-V200 WeakPolarHBondContact O-CA 3.4Å; I189-W201 HydrophobicContact CG2-CB 3.87Å; I189-W201 HydrophobicContact CG2-CG 4.35Å; I189-W201 PolarHBondContact N-O 3.05Å; I189-W201 PolarHBondContact O-N 2.84Å; I189-W206 HydrophobicContact CG2-CZ3 4.37Å |
| 190 | A | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 141 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L180 T181 L198 K199 V200 L228 L237 | L180-A190 WeakPolarHBondContact CA-O 3.39Å; T181-A190 HydrophobicContact CG2-CB 3.95Å; T181-A190 PolarHBondContact N-O 2.73Å; T181-A190 PolarHBondContact O-N 2.96Å; A190-L198 HydrophobicContact CB-CD2 4.44Å; A190-K199 WeakPolarHBondContact CA-O 3.37Å; A190-V200 HydrophobicContact CB-CG2 4.29Å; A190-L228 HydrophobicContact CB-CD1 3.92Å; A190-L237 HydrophobicContact CB-CD1 4.23Å; A190-L237 HydrophobicContact CB-CD2 3.49Å; A190-L237 VanDerWaalsContact CB-CD2 3.49Å |
| 191 | S | 98.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 147 | 178.6 | 59.5 | 0 | 0 | 0 | 0 | 111.2 | H173 G179 L198 K199 W201 | H173-S191 PolarHBondContact CD2-OG 3.02Å; H173-S191 PolarHBondContact NE2-OG 3.05Å; G179-S191 WeakPolarHBondContact O-CA 3.43Å; S191-L198 CarbonylContact O-C 3.6Å; S191-L198 WeakPolarHBondContact O-CA 3.29Å; S191-K199 PolarHBondContact N-O 2.86Å; S191-K199 PolarHBondContact O-N 3.11Å; S191-W201 PolarHBondContact OG-NE1 3.43Å |
| 192 | Q | 97.9 | Very high | 94.6 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 1% | 0.014 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 139.1 | 176.9 | -162.6 | -179.4 | -3.3 | 0 | 0 | 110.9 | K178 G179 L198 L226 L228 A240 | K178-Q192 PolarHBondContact N-O 3.22Å; G179-Q192 PolarHBondContact N-O 3.29Å; G179-Q192 PolarHBondContact O-N 3.01Å; Q192-L198 HydrophobicContact CG-CB 4.39Å; Q192-L226 HydrophobicContact CB-CB 4.23Å; Q192-L226 HydrophobicContact CG-CB 4.28Å; Q192-L226 HydrophobicContact CG-CD1 4.14Å; Q192-L228 HydrophobicContact CB-CD1 4.26Å; Q192-L228 HydrophobicContact CB-CD2 4.08Å; Q192-A240 PolarHBondContact NE2-O 3.09Å; Q192-A240 PolarHBondContact OE1-O 2.79Å |
| 193 | A | 97.1 | Very high | 94.1 | Very high | 5 Ų | 5 | 23 Ų | 23 | 4% | 0.041 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 168.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | H173 L176 V177 D195 S197 | H173-A193 HydrophobicContact CB-CB 4.29Å; H173-A193 VanDerWaalsContact ND1-CB 3.32Å; H173-A193 WeakPolarHBondContact ND1-CB 3.48Å; L176-A193 CarbonylContact O-C 3.59Å; L176-A193 WeakPolarHBondContact O-CA 3.49Å; L176-A193 VanDerWaalsContact O-CB 3.31Å; L176-A193 WeakPolarHBondContact O-CB 3.29Å; V177-A193 HydrophobicContact CB-CB 4.38Å; V177-A193 HydrophobicContact CG2-CB 4.11Å; A193-D195 PolarHBondContact O-N 2.9Å; A193-S197 PolarHBondContact N-O 2.88Å |
| 194 | D | 95.6 | Very high | 93.6 | Very high | 45 Ų | 45 | 26.9 Ų | 26.9 | 24% | 0.241 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -9.7 | 177.5 | -74 | -9.5 | 0 | 0 | 0 | 114.4 | L176 K178 R196 T222 | L176-D194 HydrophobicContact CB-CB 4.33Å; L176-D194 WeakPolarHBondContact CD1-OD2 3.4Å; L176-D194 HydrophobicContact CG-CB 4.44Å; L176-D194 WeakPolarHBondContact CG-OD2 3.4Å; L176-D194 PolarHBondContact O-N 3.08Å; K178-D194 WeakPolarHBondContact CD-OD1 3.32Å; K178-D194 WeakPolarHBondContact CE-OD1 3.43Å; K178-D194 WeakPolarHBondContact CE-OD2 3.47Å; K178-D194 IonicContact NZ-OD1 3.1Å; K178-D194 PolarHBondContact NZ-OD1 3.32Å; K178-D194 IonicContact NZ-OD2 3.13Å; K178-D194 PolarHBondContact NZ-OD2 2.56Å; D194-R196 PolarHBondContact O-N 2.82Å; D194-R196 VanDerWaalsContact O-N 3.13Å; D194-T222 VanDerWaalsContact OD1-CB 3.29Å; D194-T222 WeakPolarHBondContact OD1-CB 3.35Å; D194-T222 PolarHBondContact OD1-OG1 3.15Å |
| 195 | D | 94.8 | Very high | 93.1 | Very high | 35 Ų | 35 | 28.3 Ų | 28.3 | 19% | 0.187 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | 11.4 | 176.1 | 63.9 | 12.1 | 0 | 0 | 0 | 114.6 | H173 S174 A193 S197 | H173-D195 WeakPolarHBondContact CA-OD2 3.4Å; H173-D195 WeakPolarHBondContact CB-OD2 3.39Å; H173-D195 IonicContact CE1-OD1 2.76Å; H173-D195 IonicContact CG-OD2 3.6Å; H173-D195 IonicContact ND1-OD1 3.75Å; H173-D195 PolarHBondContact ND1-OD1 2.92Å; H173-D195 IonicContact ND1-OD2 2.7Å; H173-D195 PolarHBondContact ND1-OD2 3.46Å; S174-D195 PolarHBondContact N-OD2 2.81Å; S174-D195 VanDerWaalsContact OG-CB 3.27Å; S174-D195 WeakPolarHBondContact OG-CB 3.36Å; A193-D195 PolarHBondContact O-N 2.9Å; D195-S197 VanDerWaalsContact CG-OG 3.27Å; D195-S197 PolarHBondContact O-N 3.46Å; D195-S197 WeakPolarHBondContact OD1-CB 3.29Å; D195-S197 PolarHBondContact OD1-N 3.24Å; D195-S197 PolarHBondContact OD1-OG 2.83Å; D195-S197 PolarHBondContact OD2-OG 3.04Å |
| 196 | R | 95.1 | Very high | 93.5 | Very high | 125 Ų | 125 | 30 Ų | 30 | 47% | 0.472 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 35.6 | -174.5 | -54.6 | 179.2 | -171.7 | -172.4 | 7.2 | 112.2 | D194 T213 F216 D217 C219 | D194-R196 PolarHBondContact O-N 2.82Å; D194-R196 VanDerWaalsContact O-N 3.13Å; R196-T213 WeakPolarHBondContact O-CA 3.47Å; R196-F216 HydrophobicContact CB-CB 3.77Å; R196-F216 WeakPolarHBondContact CD-O 3.27Å; R196-F216 WeakPolarHBondContact O-CB 3.47Å; R196-D217 PolarHBondContact NH1-O 2.97Å; R196-C219 PolarHBondContact NH2-O 2.76Å |
| 197 | S | 96.2 | Very high | 93.9 | Very high | 4 Ų | 4 | 34.6 Ų | 34.6 | 3% | 0.028 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 146 | 170.8 | 77.1 | 0 | 0 | 0 | 0 | 113.7 | H173 A193 D195 K199 I212 | H173-S197 PolarHBondContact CE1-OG 3.09Å; H173-S197 VanDerWaalsContact CE1-OG 3.31Å; H173-S197 PolarHBondContact ND1-OG 2.94Å; A193-S197 PolarHBondContact N-O 2.88Å; D195-S197 VanDerWaalsContact CG-OG 3.27Å; D195-S197 PolarHBondContact O-N 3.46Å; D195-S197 WeakPolarHBondContact OD1-CB 3.29Å; D195-S197 PolarHBondContact OD1-N 3.24Å; D195-S197 PolarHBondContact OD1-OG 2.83Å; D195-S197 PolarHBondContact OD2-OG 3.04Å; S197-K199 VanDerWaalsContact OG-CE 3.27Å; S197-K199 WeakPolarHBondContact OG-CE 3.39Å; S197-I212 WeakPolarHBondContact CA-O 3.29Å |
| 198 | L | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 127.5 | 156.6 | -176.6 | 156.8 | 0 | 0 | 0 | 107.1 | A190 S191 Q192 V200 I212 F216 L228 L237 I253 | A190-L198 HydrophobicContact CB-CD2 4.44Å; S191-L198 CarbonylContact O-C 3.6Å; S191-L198 WeakPolarHBondContact O-CA 3.29Å; Q192-L198 HydrophobicContact CG-CB 4.39Å; L198-V200 HydrophobicContact CD2-CG2 3.74Å; L198-I212 HydrophobicContact CD2-CD1 4.3Å; L198-I212 PolarHBondContact N-O 2.85Å; L198-I212 PolarHBondContact O-N 2.56Å; L198-F216 HydrophobicContact CB-CE2 3.78Å; L198-F216 HydrophobicContact CB-CZ 4Å; L198-L228 HydrophobicContact CD1-CD1 3.61Å; L198-L228 HydrophobicContact CG-CD1 4.07Å; L198-L237 HydrophobicContact CD1-CD2 4.12Å; L198-L237 HydrophobicContact CD1-CG 4.44Å; L198-L237 HydrophobicContact CD2-CD2 3.75Å; L198-I253 HydrophobicContact CD1-CD1 4.1Å |
| 199 | K | 98.5 | Very high | 94.5 | Very high | 20 Ų | 20 | 35.4 Ų | 35.4 | 9% | 0.087 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 141.7 | 177.3 | -69.6 | 179 | -161.8 | -77.2 | 0 | 110.2 | G172 H173 A190 S191 S197 W201 L208 T210 S211 | G172-K199 WeakPolarHBondContact O-CE 3.36Å; G172-K199 PolarHBondContact O-NZ 3.47Å; H173-K199 VanDerWaalsContact ND1-CE 3.28Å; H173-K199 WeakPolarHBondContact ND1-CE 3.48Å; A190-K199 WeakPolarHBondContact CA-O 3.37Å; S191-K199 PolarHBondContact N-O 2.86Å; S191-K199 PolarHBondContact O-N 3.11Å; S197-K199 VanDerWaalsContact OG-CE 3.27Å; S197-K199 WeakPolarHBondContact OG-CE 3.39Å; K199-W201 HydrophobicContact CB-CZ2 3.84Å; K199-W201 HydrophobicContact CD-CH2 4.09Å; K199-W201 HydrophobicContact CD-CZ2 3.68Å; K199-W201 HydrophobicContact CG-CZ2 4.4Å; K199-L208 HydrophobicContact CB-CD1 3.69Å; K199-L208 HydrophobicContact CD-CD1 4.01Å; K199-L208 HydrophobicContact CG-CD1 3.91Å; K199-T210 WeakPolarHBondContact CA-O 3.3Å; K199-S211 PolarHBondContact NZ-OG 2.88Å |
| 200 | V | 98.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 131.4 | 174.8 | -171.5 | 0 | 0 | 0 | 0 | 108.4 | Y188 I189 A190 L198 E209 T210 L237 W258 | Y188-V200 HydrophobicContact CD1-CG1 3.76Å; Y188-V200 HydrophobicContact CG-CG1 3.8Å; I189-V200 WeakPolarHBondContact O-CA 3.4Å; A190-V200 HydrophobicContact CB-CG2 4.29Å; L198-V200 HydrophobicContact CD2-CG2 3.74Å; V200-E209 WeakPolarHBondContact O-CB 3.41Å; V200-E209 PolarHBondContact O-N 3.04Å; V200-T210 HydrophobicContact CB-CG2 3.79Å; V200-T210 HydrophobicContact CG2-CG2 3.81Å; V200-T210 PolarHBondContact N-O 3.2Å; V200-T210 PolarHBondContact O-N 2.93Å; V200-L237 HydrophobicContact CG2-CD2 4.24Å; V200-W258 HydrophobicContact CB-CH2 4.28Å; V200-W258 HydrophobicContact CB-CZ2 4.47Å; V200-W258 HydrophobicContact CG1-CH2 3.67Å; V200-W258 HydrophobicContact CG1-CZ2 4.03Å; V200-W258 HydrophobicContact CG1-CZ3 4.24Å; V200-W258 HydrophobicContact CG2-CE3 4.23Å; V200-W258 HydrophobicContact CG2-CH2 4.16Å; V200-W258 HydrophobicContact CG2-CZ3 3.91Å |
| 201 | W | 97.8 | Very high | 94.4 | Very high | 9 Ų | 9 | 39.2 Ų | 39.2 | 3% | 0.034 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 139.2 | -174.7 | -41 | 80.2 | 0 | 0 | 0 | 109.3 | L170 R171 Y188 I189 S191 K199 Q207 L208 | L170-W201 HydrophobicContact CB-CD2 4.04Å; L170-W201 HydrophobicContact CB-CE3 3.95Å; L170-W201 HydrophobicContact CB-CH2 4.15Å; L170-W201 HydrophobicContact CB-CZ2 4.22Å; L170-W201 HydrophobicContact CB-CZ3 4.01Å; L170-W201 HydrophobicContact CD1-CB 3.99Å; L170-W201 HydrophobicContact CD1-CD2 3.85Å; L170-W201 HydrophobicContact CD1-CE3 4.4Å; L170-W201 HydrophobicContact CD1-CG 3.64Å; L170-W201 HydrophobicContact CG-CD2 4.47Å; R171-W201 WeakPolarHBondContact O-CH2 3.39Å; Y188-W201 CarbonylContact C-O 3.5Å; Y188-W201 VanDerWaalsContact CA-O 3.27Å; Y188-W201 WeakPolarHBondContact CA-O 3.45Å; I189-W201 HydrophobicContact CG2-CB 3.87Å; I189-W201 HydrophobicContact CG2-CG 4.35Å; I189-W201 PolarHBondContact N-O 3.05Å; I189-W201 PolarHBondContact O-N 2.84Å; S191-W201 PolarHBondContact OG-NE1 3.43Å; K199-W201 HydrophobicContact CB-CZ2 3.84Å; K199-W201 HydrophobicContact CD-CH2 4.09Å; K199-W201 HydrophobicContact CD-CZ2 3.68Å; K199-W201 HydrophobicContact CG-CZ2 4.4Å; W201-Q207 CarbonylContact C-O 3.56Å; W201-Q207 VanDerWaalsContact CA-O 3.23Å; W201-Q207 WeakPolarHBondContact CA-O 3.26Å; W201-L208 HydrophobicContact CD2-CD1 4Å; W201-L208 HydrophobicContact CE3-CB 3.89Å; W201-L208 HydrophobicContact CE3-CD1 3.92Å; W201-L208 HydrophobicContact CH2-CD1 4.1Å; W201-L208 HydrophobicContact CZ2-CD1 4.19Å; W201-L208 HydrophobicContact CZ3-CB 3.93Å; W201-L208 HydrophobicContact CZ3-CD1 3.97Å; W201-L208 HydrophobicContact CZ3-CG 4.48Å |
| 202 | R | 92.6 | Very high | 94.4 | Very high | 73 Ų | 73 | 39.9 Ų | 39.9 | 28% | 0.275 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 143.3 | 175.3 | -71.6 | -168.8 | -65.1 | -109.7 | 11.4 | 110.8 | Y188 D205 W206 Q207 E209 | Y188-R202 HydrophobicContact CD1-CG 4.3Å; Y188-R202 HydrophobicContact CE1-CG 3.95Å; R202-D205 WeakPolarHBondContact CB-OD1 3.4Å; R202-D205 IonicContact CZ-OD1 3.88Å; R202-D205 IonicContact CZ-OD2 3.79Å; R202-D205 IonicContact NE-OD1 3.21Å; R202-D205 PolarHBondContact NE-OD1 3.43Å; R202-D205 IonicContact NE-OD2 2.74Å; R202-D205 PolarHBondContact NE-OD2 2.84Å; R202-D205 VanDerWaalsContact NE-OD2 3.17Å; R202-D205 IonicContact NH2-OD1 2.73Å; R202-D205 IonicContact NH2-OD2 2.66Å; R202-D205 PolarHBondContact NH2-OD2 3.08Å; R202-W206 WeakPolarHBondContact O-CA 3.39Å; R202-W206 PolarHBondContact O-N 2.8Å; R202-W206 VanDerWaalsContact O-N 3.14Å; R202-Q207 PolarHBondContact N-O 3.16Å; R202-E209 VanDerWaalsContact CD-OE2 3.26Å; R202-E209 WeakPolarHBondContact CD-OE2 3.45Å; R202-E209 HydrophobicContact CG-CB 4.2Å; R202-E209 WeakPolarHBondContact CG-OE2 3.37Å; R202-E209 IonicContact CZ-OE2 3.5Å; R202-E209 IonicContact NE-OE2 3.58Å; R202-E209 IonicContact NH1-OE2 2.78Å; R202-E209 PolarHBondContact NH1-OE2 3.1Å |
| 203 | T | 86.3 | Confident | 94.4 | Very high | 4 Ų | 4 | 42.9 Ų | 42.9 | 3% | 0.025 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -8.5 | 174 | 58.8 | 0 | 0 | 0 | 0 | 113.7 | W145 W182 G186 K187 W206 | W145-T203 HydrophobicContact CZ3-CG2 4.16Å; W182-T203 HydrophobicContact CE3-CG2 4.17Å; W182-T203 HydrophobicContact CZ3-CG2 3.74Å; G186-T203 WeakPolarHBondContact O-CB 3.5Å; G186-T203 WeakPolarHBondContact O-CG2 3.5Å; G186-T203 PolarHBondContact O-OG1 3.37Å; K187-T203 PolarHBondContact O-N 3.27Å; K187-T203 PolarHBondContact O-OG1 3.06Å; K187-T203 VanDerWaalsContact O-OG1 3.1Å; T203-W206 HydrophobicContact CG2-CH2 4.12Å; T203-W206 HydrophobicContact CG2-CZ3 4Å |
| 204 | L | 83.1 | Confident | 94.3 | Very high | 80 Ų | 80 | 50.2 Ų | 50.2 | 42% | 0.419 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -48.4 | 178 | 176.6 | 59.7 | 0 | 0 | 0 | 111.9 | N398 | L204-N398 HydrophobicContact CD1-CB 3.6Å; L204-N398 PolarHBondContact O-ND2 2.74Å |
| 205 | D | 80.4 | Confident | 94.2 | Very high | 58 Ų | 58 | 48.4 Ų | 48.4 | 31% | 0.31 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -133.4 | 4.1 | -168.3 | 61.5 | -13.3 | 0 | 0 | 0 | 113.2 | R202 Q207 | R202-D205 WeakPolarHBondContact CB-OD1 3.4Å; R202-D205 IonicContact CZ-OD1 3.88Å; R202-D205 IonicContact CZ-OD2 3.79Å; R202-D205 IonicContact NE-OD1 3.21Å; R202-D205 PolarHBondContact NE-OD1 3.43Å; R202-D205 IonicContact NE-OD2 2.74Å; R202-D205 PolarHBondContact NE-OD2 2.84Å; R202-D205 VanDerWaalsContact NE-OD2 3.17Å; R202-D205 IonicContact NH2-OD1 2.73Å; R202-D205 IonicContact NH2-OD2 2.66Å; R202-D205 PolarHBondContact NH2-OD2 3.08Å; D205-Q207 HydrophobicContact CB-CG 4.12Å; D205-Q207 PolarHBondContact O-N 3.07Å; D205-Q207 VanDerWaalsContact O-N 3.11Å; D205-Q207 PolarHBondContact O-NE2 3.47Å; D205-Q207 PolarHBondContact OD1-N 2.95Å; D205-Q207 VanDerWaalsContact OD2-CG 3.29Å; D205-Q207 WeakPolarHBondContact OD2-CG 3.33Å |
| 206 | W | 91.3 | Very high | 94.2 | Very high | 42 Ų | 42 | 46.9 Ų | 46.9 | 16% | 0.159 | 23% | 0.226 | C | C | . | . | trans | 57.8 | 19.4 | -178.4 | -55.6 | 110.5 | 0 | 0 | 0 | 114.8 | W145 I157 A168 L170 W182 I189 R202 T203 | W145-W206 HydrophobicContact CD2-CH2 4.05Å; W145-W206 HydrophobicContact CD2-CZ2 4.16Å; W145-W206 AromaticContact CE3-CH2 3.75Å; W145-W206 HydrophobicContact CE3-CH2 3.75Å; W145-W206 HydrophobicContact CE3-CZ2 4.22Å; W145-W206 HydrophobicContact CH2-CH2 4.2Å; W145-W206 HydrophobicContact CH2-CZ2 4.08Å; W145-W206 HydrophobicContact CZ2-CH2 4.48Å; W145-W206 HydrophobicContact CZ2-CZ2 4.04Å; W145-W206 AromaticContact CZ3-CH2 3.83Å; W145-W206 HydrophobicContact CZ3-CH2 3.83Å; W145-W206 HydrophobicContact CZ3-CZ2 4.18Å; I157-W206 HydrophobicContact CD1-CE3 4.45Å; I157-W206 HydrophobicContact CD1-CZ3 4.1Å; I157-W206 HydrophobicContact CG1-CD2 4.39Å; I157-W206 HydrophobicContact CG1-CE3 3.89Å; I157-W206 HydrophobicContact CG1-CH2 4.39Å; I157-W206 HydrophobicContact CG1-CZ3 3.88Å; I157-W206 HydrophobicContact CG2-CH2 3.77Å; I157-W206 HydrophobicContact CG2-CZ2 3.93Å; I157-W206 HydrophobicContact CG2-CZ3 4.13Å; A168-W206 HydrophobicContact CB-CB 3.76Å; A168-W206 HydrophobicContact CB-CD2 4Å; A168-W206 HydrophobicContact CB-CG 3.5Å; A168-W206 VanDerWaalsContact CB-CG 3.5Å; L170-W206 HydrophobicContact CD2-CB 3.76Å; L170-W206 HydrophobicContact CD2-CE3 4.25Å; L170-W206 HydrophobicContact CD2-CG 4.43Å; W182-W206 AromaticContact CH2-CH2 3.78Å; W182-W206 HydrophobicContact CH2-CH2 3.78Å; W182-W206 HydrophobicContact CH2-CZ3 4Å; W182-W206 AromaticContact CZ3-CH2 3.89Å; W182-W206 HydrophobicContact CZ3-CH2 3.89Å; W182-W206 HydrophobicContact CZ3-CZ3 4.01Å; I189-W206 HydrophobicContact CG2-CZ3 4.37Å; R202-W206 WeakPolarHBondContact O-CA 3.39Å; R202-W206 PolarHBondContact O-N 2.8Å; R202-W206 VanDerWaalsContact O-N 3.14Å; T203-W206 HydrophobicContact CG2-CH2 4.12Å; T203-W206 HydrophobicContact CG2-CZ3 4Å | ||
| 207 | Q | 92.7 | Very high | 94 | Very high | 109 Ų | 109 | 45.1 Ų | 45.1 | 51% | 0.509 | 23% | 0.226 | S | C | . | . | trans | -85.5 | 156.9 | 179.1 | -60.5 | -50.1 | -55.1 | 0 | 0 | 112.6 | W201 R202 D205 E209 | W201-Q207 CarbonylContact C-O 3.56Å; W201-Q207 VanDerWaalsContact CA-O 3.23Å; W201-Q207 WeakPolarHBondContact CA-O 3.26Å; R202-Q207 PolarHBondContact N-O 3.16Å; D205-Q207 HydrophobicContact CB-CG 4.12Å; D205-Q207 PolarHBondContact O-N 3.07Å; D205-Q207 VanDerWaalsContact O-N 3.11Å; D205-Q207 PolarHBondContact O-NE2 3.47Å; D205-Q207 PolarHBondContact OD1-N 2.95Å; D205-Q207 VanDerWaalsContact OD2-CG 3.29Å; D205-Q207 WeakPolarHBondContact OD2-CG 3.33Å; Q207-E209 PolarHBondContact O-N 2.99Å | ||
| 208 | L | 97.4 | Very high | 93.7 | Very high | 72 Ų | 72 | 50 Ų | 50 | 38% | 0.377 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 119.4 | 174 | -174.6 | 68.3 | 0 | 0 | 0 | 110.2 | K199 W201 T210 | K199-L208 HydrophobicContact CB-CD1 3.69Å; K199-L208 HydrophobicContact CD-CD1 4.01Å; K199-L208 HydrophobicContact CG-CD1 3.91Å; W201-L208 HydrophobicContact CD2-CD1 4Å; W201-L208 HydrophobicContact CE3-CB 3.89Å; W201-L208 HydrophobicContact CE3-CD1 3.92Å; W201-L208 HydrophobicContact CH2-CD1 4.1Å; W201-L208 HydrophobicContact CZ2-CD1 4.19Å; W201-L208 HydrophobicContact CZ3-CB 3.93Å; W201-L208 HydrophobicContact CZ3-CD1 3.97Å; W201-L208 HydrophobicContact CZ3-CG 4.48Å; L208-T210 VanDerWaalsContact CD1-O 3.31Å; L208-T210 WeakPolarHBondContact CD1-O 3.3Å |
| 209 | E | 95.9 | Very high | 93.2 | Very high | 58 Ų | 58 | 50.5 Ų | 50.5 | 27% | 0.271 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | -44.5 | 173.2 | -173.3 | 86 | 138.2 | 0 | 0 | 110.8 | Y188 V200 R202 Q207 W258 | Y188-E209 HydrophobicContact CD1-CB 4.44Å; Y188-E209 HydrophobicContact CD1-CG 4.49Å; Y188-E209 HydrophobicContact CE1-CB 4.02Å; Y188-E209 HydrophobicContact CE1-CG 3.65Å; Y188-E209 WeakPolarHBondContact CE1-OE1 3.02Å; Y188-E209 VanDerWaalsContact CZ-OE1 3.27Å; Y188-E209 PolarHBondContact OH-OE1 2.62Å; V200-E209 WeakPolarHBondContact O-CB 3.41Å; V200-E209 PolarHBondContact O-N 3.04Å; R202-E209 VanDerWaalsContact CD-OE2 3.26Å; R202-E209 WeakPolarHBondContact CD-OE2 3.45Å; R202-E209 HydrophobicContact CG-CB 4.2Å; R202-E209 WeakPolarHBondContact CG-OE2 3.37Å; R202-E209 IonicContact CZ-OE2 3.5Å; R202-E209 IonicContact NE-OE2 3.58Å; R202-E209 IonicContact NH1-OE2 2.78Å; R202-E209 PolarHBondContact NH1-OE2 3.1Å; Q207-E209 PolarHBondContact O-N 2.99Å; E209-W258 HydrophobicContact CG-CZ2 4.17Å |
| 210 | T | 97.9 | Very high | 91.9 | Very high | 32 Ų | 32 | 52.9 Ų | 52.9 | 20% | 0.196 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 157.8 | -179.1 | -172.9 | 0 | 0 | 0 | 0 | 112.3 | K199 V200 L208 I212 W258 | K199-T210 WeakPolarHBondContact CA-O 3.3Å; V200-T210 HydrophobicContact CB-CG2 3.79Å; V200-T210 HydrophobicContact CG2-CG2 3.81Å; V200-T210 PolarHBondContact N-O 3.2Å; V200-T210 PolarHBondContact O-N 2.93Å; L208-T210 VanDerWaalsContact CD1-O 3.31Å; L208-T210 WeakPolarHBondContact CD1-O 3.3Å; T210-I212 HydrophobicContact CG2-CD1 4.42Å; T210-I212 HydrophobicContact CG2-CG1 4.25Å; T210-W258 HydrophobicContact CG2-CB 4.26Å; T210-W258 HydrophobicContact CG2-CD2 3.6Å; T210-W258 HydrophobicContact CG2-CE3 4.24Å; T210-W258 HydrophobicContact CG2-CG 3.55Å; T210-W258 HydrophobicContact CG2-CZ2 4.47Å |
| 211 | S | 97.9 | Very high | 90.5 | Very high | 49 Ų | 49 | 55.6 Ų | 55.6 | 34% | 0.343 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 107.4 | 175.3 | -174 | 0 | 0 | 0 | 0 | 109.1 | K199 | K199-S211 PolarHBondContact NZ-OG 2.88Å |
| 212 | I | 98 | Very high | 89.6 | Confident | 14 Ų | 14 | 58 Ų | 58 | 7% | 0.072 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 115.4 | -174 | -56.3 | 178.4 | 0 | 0 | 0 | 108.8 | S197 L198 T210 P215 F216 I253 W258 T260 | S197-I212 WeakPolarHBondContact CA-O 3.29Å; L198-I212 HydrophobicContact CD2-CD1 4.3Å; L198-I212 PolarHBondContact N-O 2.85Å; L198-I212 PolarHBondContact O-N 2.56Å; T210-I212 HydrophobicContact CG2-CD1 4.42Å; T210-I212 HydrophobicContact CG2-CG1 4.25Å; I212-P215 HydrophobicContact CG2-CG 4.16Å; I212-F216 HydrophobicContact CG2-CE2 4.43Å; I212-F216 WeakPolarHBondContact O-CD2 3.25Å; I212-F216 WeakPolarHBondContact O-CE2 3.21Å; I212-I253 HydrophobicContact CD1-CG1 4.15Å; I212-I253 HydrophobicContact CD1-CG2 3.61Å; I212-W258 HydrophobicContact CD1-CB 4.09Å; I212-T260 HydrophobicContact CG2-CG2 3.64Å |
| 213 | T | 96.8 | Very high | 89.6 | Confident | 67 Ų | 67 | 54.9 Ų | 54.9 | 41% | 0.411 | 31% | 0.314 | S | S | . | . | trans | -113.8 | -41.5 | -178.5 | 58.2 | 0 | 0 | 0 | 0 | 113.9 | R196 P215 F216 D217 | R196-T213 WeakPolarHBondContact O-CA 3.47Å; T213-P215 WeakPolarHBondContact O-CD 3.37Å; T213-F216 WeakPolarHBondContact O-CA 3.42Å; T213-F216 WeakPolarHBondContact O-CB 3.39Å; T213-F216 WeakPolarHBondContact O-CD2 3.24Å; T213-F216 PolarHBondContact O-N 2.73Å; T213-D217 PolarHBondContact O-N 3.37Å | ||
| 214 | K | 94.9 | Very high | 89.9 | Confident | 159 Ų | 159 | 58 Ų | 58 | 69% | 0.691 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -44.2 | -43.3 | -170.3 | -175.8 | -175.3 | 175.6 | -170.3 | 0 | 116.5 | F216 D217 | K214-F216 PolarHBondContact O-N 2.78Å; K214-F216 VanDerWaalsContact O-N 3.16Å; K214-D217 WeakPolarHBondContact CA-OD2 3.46Å |
| 215 | P | 95.1 | Very high | 90.5 | Very high | 7 Ų | 7 | 54.2 Ų | 54.2 | 5% | 0.045 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -65.3 | -12.9 | 177.1 | -23.1 | 36.5 | 0 | 0 | 0 | 115.2 | I212 T213 A242 M243 Q251 T260 | I212-P215 HydrophobicContact CG2-CG 4.16Å; T213-P215 WeakPolarHBondContact O-CD 3.37Å; P215-A242 HydrophobicContact CB-CB 4.02Å; P215-A242 WeakPolarHBondContact O-CB 3.31Å; P215-M243 PolarHBondContact O-N 3.49Å; P215-Q251 HydrophobicContact CB-CB 4.07Å; P215-Q251 HydrophobicContact CB-CG 3.81Å; P215-Q251 HydrophobicContact CG-CB 4.48Å; P215-Q251 HydrophobicContact CG-CG 3.72Å; P215-T260 HydrophobicContact CG-CG2 3.69Å |
| 216 | F | 94.9 | Very high | 91.3 | Very high | 3 Ų | 3 | 51.8 Ų | 51.8 | 1% | 0.013 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -112.7 | -6.8 | -171 | -47.8 | -66.2 | 0 | 0 | 0 | 112.8 | R196 L198 I212 T213 K214 E218 C219 S239 H241 A242 | R196-F216 HydrophobicContact CB-CB 3.77Å; R196-F216 WeakPolarHBondContact CD-O 3.27Å; R196-F216 WeakPolarHBondContact O-CB 3.47Å; L198-F216 HydrophobicContact CB-CE2 3.78Å; L198-F216 HydrophobicContact CB-CZ 4Å; I212-F216 HydrophobicContact CG2-CE2 4.43Å; I212-F216 WeakPolarHBondContact O-CD2 3.25Å; I212-F216 WeakPolarHBondContact O-CE2 3.21Å; T213-F216 WeakPolarHBondContact O-CA 3.42Å; T213-F216 WeakPolarHBondContact O-CB 3.39Å; T213-F216 WeakPolarHBondContact O-CD2 3.24Å; T213-F216 PolarHBondContact O-N 2.73Å; K214-F216 PolarHBondContact O-N 2.78Å; K214-F216 VanDerWaalsContact O-N 3.16Å; F216-E218 VanDerWaalsContact C-N 3.27Å; F216-E218 PolarHBondContact O-N 3.47Å; F216-C219 WeakPolarHBondContact O-CB 3.29Å; F216-C219 PolarHBondContact O-N 3.16Å; F216-C219 PolarHBondContact O-SG 3.46Å; F216-S239 WeakPolarHBondContact CE1-OG 3.18Å; F216-H241 WeakPolarHBondContact CD1-O 3.46Å; F216-A242 HydrophobicContact CD1-CB 4.12Å; F216-A242 HydrophobicContact CE1-CB 3.88Å |
| 217 | D | 90.9 | Very high | 91.6 | Very high | 88 Ų | 88 | 49.9 Ų | 49.9 | 47% | 0.471 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -40.1 | -176.4 | -67.3 | -20.7 | 0 | 0 | 0 | 112 | R196 T213 K214 C219 | R196-D217 PolarHBondContact NH1-O 2.97Å; T213-D217 PolarHBondContact O-N 3.37Å; K214-D217 WeakPolarHBondContact CA-OD2 3.46Å; D217-C219 VanDerWaalsContact C-N 3.34Å; D217-C219 PolarHBondContact O-N 3.45Å |
| 218 | E | 89.3 | Confident | 91.8 | Very high | 107 Ų | 107 | 44.7 Ų | 44.7 | 50% | 0.5 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -0.2 | 176.5 | -70.6 | -178.7 | -171.5 | 0 | 0 | 114.6 | F216 G220 M243 S246 | F216-E218 VanDerWaalsContact C-N 3.27Å; F216-E218 PolarHBondContact O-N 3.47Å; E218-G220 PolarHBondContact O-N 3.12Å; E218-M243 HydrophobicContact CB-CB 3.7Å; E218-M243 HydrophobicContact CB-CG 4.1Å; E218-S246 WeakPolarHBondContact OE2-CA 3.43Å; E218-S246 PolarHBondContact OE2-N 2.86Å |
| 219 | C | 87.6 | Confident | 91.9 | Very high | 9 Ų | 9 | 41.8 Ų | 41.8 | 6% | 0.061 | 25% | 0.25 | C | C | . | . | trans | -66.4 | 107.5 | -173.6 | -74.6 | 0 | 0 | 0 | 0 | 113.2 | R196 F216 D217 G221 M243 | R196-C219 PolarHBondContact NH2-O 2.76Å; F216-C219 WeakPolarHBondContact O-CB 3.29Å; F216-C219 PolarHBondContact O-N 3.16Å; F216-C219 PolarHBondContact O-SG 3.46Å; D217-C219 VanDerWaalsContact C-N 3.34Å; D217-C219 PolarHBondContact O-N 3.45Å; C219-G221 PolarHBondContact O-N 3.47Å; C219-M243 HydrophobicContact CB-CG 4.44Å | ||
| 220 | G | 70.5 | Confident | 91.9 | Very high | 70 Ų | 70 | 39.5 Ų | 39.5 | 72% | 0.722 | 24% | 0.239 | S | C | * | . | trans | -83.3 | 91.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | E218 | E218-G220 PolarHBondContact O-N 3.12Š| ||
| 221 | G | 70.1 | Confident | 91.9 | Very high | 57 Ų | 57 | 38 Ų | 38 | 59% | 0.588 | 23% | 0.23 | S | C | * | . | S | Bend | trans | 84.5 | -160.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | C219 | C219-G221 PolarHBondContact O-N 3.47Š|
| 222 | T | 78.8 | Confident | 91.7 | Very high | 61 Ų | 61 | 36.1 Ų | 36.1 | 37% | 0.374 | 22% | 0.216 | S | C | . | . | trans | -146.8 | 160.6 | -174.4 | 179 | 0 | 0 | 0 | 0 | 112.7 | K178 D194 | K178-T222 PolarHBondContact NZ-OG1 3.46Å; D194-T222 VanDerWaalsContact OD1-CB 3.29Å; D194-T222 WeakPolarHBondContact OD1-CB 3.35Å; D194-T222 PolarHBondContact OD1-OG1 3.15Å | ||
| 223 | T | 91.4 | Very high | 91.4 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | trans | -90.6 | 170.8 | 171.1 | 45.7 | 0 | 0 | 0 | 0 | 111.5 | K178 V225 L226 A270 T272 | K178-T223 PolarHBondContact NZ-O 3.22Å; T223-V225 VanDerWaalsContact CB-O 3.3Å; T223-V225 WeakPolarHBondContact CB-O 3.46Å; T223-V225 PolarHBondContact OG1-O 2.9Å; T223-L226 WeakPolarHBondContact OG1-CD2 3.33Å; T223-A270 HydrophobicContact CG2-CB 3.58Å; T223-T272 HydrophobicContact CG2-CG2 3.7Å | ||
| 224 | H | 92.4 | Very high | 91.1 | Very high | 70 Ų | 70 | 33.1 Ų | 33.1 | 32% | 0.324 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -73.3 | -31.1 | 175.6 | -170.3 | -57 | 0 | 0 | 0 | 112.1 | F17 M135 M332 M348 | F17-H224 AromaticContact CE1-NE2 3.65Å; F17-H224 AromaticContact CZ-NE2 3.81Å; M135-H224 WeakPolarHBondContact CE-O 3.42Å; H224-M332 HydrophobicContact CB-CE 4.05Å; H224-M348 HydrophobicContact CB-CE 4.27Å |
| 225 | V | 96 | Very high | 91 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -136.6 | 155.5 | 175.4 | -61.6 | 0 | 0 | 0 | 0 | 109.5 | T223 R227 M332 | T223-V225 VanDerWaalsContact CB-O 3.3Å; T223-V225 WeakPolarHBondContact CB-O 3.46Å; T223-V225 PolarHBondContact OG1-O 2.9Å; V225-R227 HydrophobicContact CB-CG 4.13Å; V225-R227 HydrophobicContact CG2-CG 4.02Å; V225-M332 HydrophobicContact CB-CE 4.36Å; V225-M332 HydrophobicContact CG1-CE 3.77Å; V225-M332 HydrophobicContact CG2-CE 3.69Å; V225-M332 WeakPolarHBondContact CG2-O 3.41Å | ||
| 226 | L | 96.8 | Very high | 91.1 | Very high | 7 Ų | 7 | 31.7 Ų | 31.7 | 4% | 0.037 | 19% | 0.19 | C | C | . | . | trans | -128.3 | 57.2 | 176.9 | -71 | 170.9 | 0 | 0 | 0 | 109.2 | K178 G179 Q192 T223 L228 A240 H241 | K178-L226 HydrophobicContact CB-CB 3.95Å; K178-L226 HydrophobicContact CB-CD1 4.12Å; K178-L226 HydrophobicContact CB-CG 4.07Å; K178-L226 HydrophobicContact CD-CD1 4.41Å; K178-L226 PolarHBondContact O-N 3.34Å; G179-L226 WeakPolarHBondContact CA-O 3.4Å; Q192-L226 HydrophobicContact CB-CB 4.23Å; Q192-L226 HydrophobicContact CG-CB 4.28Å; Q192-L226 HydrophobicContact CG-CD1 4.14Å; T223-L226 WeakPolarHBondContact OG1-CD2 3.33Å; L226-L228 WeakPolarHBondContact O-CD2 3.34Å; L226-L228 PolarHBondContact O-N 2.94Å; L226-A240 HydrophobicContact CB-CB 4.11Å; L226-A240 HydrophobicContact CD2-CB 3.94Å; L226-H241 HydrophobicContact CD2-CB 3.91Å | ||
| 227 | R | 97.4 | Very high | 91.2 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -70.1 | 95.1 | -173.1 | -60 | -71.4 | -175.4 | -112 | -1.3 | 110.4 | N74 M135 D136 K178 V225 T272 V273 V274 | N74-R227 PolarHBondContact O-NH2 3.32Å; M135-R227 VanDerWaalsContact O-CZ 3.26Å; M135-R227 PolarHBondContact O-NH1 2.82Å; M135-R227 PolarHBondContact O-NH2 2.86Å; D136-R227 VanDerWaalsContact CG-CZ 3.5Å; D136-R227 IonicContact OD1-CZ 3.91Å; D136-R227 IonicContact OD1-NE 4Å; D136-R227 IonicContact OD1-NH1 2.98Å; D136-R227 PolarHBondContact OD1-NH1 2.86Å; D136-R227 VanDerWaalsContact OD2-CD 3.22Å; D136-R227 WeakPolarHBondContact OD2-CD 3.4Å; D136-R227 IonicContact OD2-CZ 2.69Å; D136-R227 IonicContact OD2-NE 2.78Å; D136-R227 IonicContact OD2-NH1 2.7Å; D136-R227 PolarHBondContact OD2-NH1 2.92Å; K178-R227 PolarHBondContact O-NH1 2.85Å; V225-R227 HydrophobicContact CB-CG 4.13Å; V225-R227 HydrophobicContact CG2-CG 4.02Å; R227-T272 PolarHBondContact N-O 2.89Å; R227-T272 VanDerWaalsContact N-O 3.11Å; R227-V273 HydrophobicContact CB-CB 3.81Å; R227-V273 HydrophobicContact CB-CG2 3.67Å; R227-V273 HydrophobicContact CG-CB 4.27Å; R227-V273 HydrophobicContact CG-CG2 4.25Å; R227-V273 CarbonylContact O-C 3.51Å; R227-V273 WeakPolarHBondContact O-CA 3.44Å; R227-V274 PolarHBondContact O-N 3.09Å |
| 228 | L | 98.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -84.6 | 163.8 | 171.7 | 69.8 | 167.4 | 0 | 0 | 0 | 112.4 | T181 A190 Q192 L198 L226 L237 V238 | T181-L228 HydrophobicContact CG2-CD1 3.87Å; T181-L228 HydrophobicContact CG2-CD2 4.45Å; T181-L228 HydrophobicContact CG2-CG 3.61Å; A190-L228 HydrophobicContact CB-CD1 3.92Å; Q192-L228 HydrophobicContact CB-CD1 4.26Å; Q192-L228 HydrophobicContact CB-CD2 4.08Å; L198-L228 HydrophobicContact CD1-CD1 3.61Å; L198-L228 HydrophobicContact CG-CD1 4.07Å; L226-L228 WeakPolarHBondContact O-CD2 3.34Å; L226-L228 PolarHBondContact O-N 2.94Å; L228-L237 HydrophobicContact CD1-CD1 4.16Å; L228-V238 WeakPolarHBondContact CA-O 3.26Å; L228-V238 WeakPolarHBondContact CB-O 3.2Å | ||
| 229 | S | 98.4 | Very high | 92 | Very high | 12 Ų | 12 | 22.3 Ų | 22.3 | 8% | 0.084 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 137.3 | 178.8 | -173.6 | 0 | 0 | 0 | 0 | 113.1 | V238 V274 F276 | S229-V238 PolarHBondContact N-O 3.5Å; S229-V238 PolarHBondContact O-N 3.09Å; S229-V274 VanDerWaalsContact CB-O 3.26Å; S229-V274 WeakPolarHBondContact CB-O 3.28Å; S229-F276 WeakPolarHBondContact O-CE2 3.49Å; S229-F276 PolarHBondContact OG-N 3.39Å |
| 230 | W | 97.6 | Very high | 92.3 | Very high | 9 Ų | 9 | 21.9 Ų | 21.9 | 3% | 0.034 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 152.9 | 160.1 | -76.4 | 97 | 0 | 0 | 0 | 111.9 | T181 D183 G234 Y236 L237 R255 W258 F276 | T181-W230 HydrophobicContact CG2-CG 4.49Å; T181-W230 PolarHBondContact OG1-N 2.85Å; D183-W230 HydrophobicContact CB-CD2 4.41Å; D183-W230 HydrophobicContact CB-CZ2 4.38Å; W230-G234 WeakPolarHBondContact CZ3-O 3.48Å; W230-Y236 CarbonylContact C-O 3.58Å; W230-Y236 WeakPolarHBondContact CA-O 3.46Å; W230-Y236 VanDerWaalsContact CE3-O 3.31Å; W230-L237 HydrophobicContact CD2-CB 3.98Å; W230-L237 HydrophobicContact CD2-CD1 4.1Å; W230-L237 HydrophobicContact CE3-CB 3.95Å; W230-L237 HydrophobicContact CG-CD1 4Å; W230-L237 HydrophobicContact CH2-CB 4.16Å; W230-L237 HydrophobicContact CZ2-CB 4.19Å; W230-L237 HydrophobicContact CZ2-CD2 4.1Å; W230-L237 HydrophobicContact CZ3-CB 4.04Å; W230-R255 HydrophobicContact CH2-CB 4.41Å; W230-R255 HydrophobicContact CH2-CG 4.14Å; W230-R255 HydrophobicContact CZ3-CB 4.11Å; W230-R255 HydrophobicContact CZ3-CG 4.14Å; W230-W258 AromaticContact CH2-CH2 3.74Å; W230-W258 HydrophobicContact CH2-CH2 3.74Å; W230-W258 AromaticContact CH2-CZ3 3.64Å; W230-W258 HydrophobicContact CH2-CZ3 3.64Å; W230-W258 HydrophobicContact CZ2-CH2 4.09Å; W230-W258 HydrophobicContact CZ2-CZ3 4.09Å; W230-F276 WeakPolarHBondContact O-CB 3.48Å; W230-F276 WeakPolarHBondContact O-CD2 3.24Å; W230-F276 WeakPolarHBondContact O-CG 3.33Å |
| 231 | S | 96.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.007 | 11% | 0.111 | C | C | . | . | trans | -76.8 | 147.6 | 166.3 | 59.4 | 0 | 0 | 0 | 0 | 111.4 | P184 D233 G234 H235 Y236 | P184-S231 WeakPolarHBondContact CG-O 3.28Å; S231-D233 VanDerWaalsContact CB-OD1 3.25Å; S231-D233 WeakPolarHBondContact CB-OD1 3.46Å; S231-D233 PolarHBondContact O-N 3.13Å; S231-D233 PolarHBondContact OG-OD1 3.03Å; S231-G234 PolarHBondContact O-N 2.97Å; S231-H235 PolarHBondContact OG-N 3.12Å; S231-Y236 PolarHBondContact N-O 3.12Å; S231-Y236 PolarHBondContact OG-N 2.85Å; S231-Y236 PolarHBondContact OG-O 2.72Å; S231-Y236 VanDerWaalsContact OG-O 3.09Å | ||
| 232 | P | 94.3 | Very high | 94.7 | Very high | 10 Ų | 10 | 16.7 Ų | 16.7 | 7% | 0.065 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -15.2 | -176.4 | 30.3 | -39.9 | 0 | 0 | 0 | 113.7 | G234 N277 I280 C298 H375 | P232-G234 VanDerWaalsContact C-N 3.34Å; P232-N277 VanDerWaalsContact CG-O 3.24Å; P232-N277 WeakPolarHBondContact CG-O 3.39Å; P232-I280 HydrophobicContact CB-CG1 4.06Å; P232-I280 HydrophobicContact CG-CG1 3.82Å; P232-C298 HydrophobicContact CG-CB 4.36Å; P232-C298 VanDerWaalsContact CG-SG 3.54Å; P232-H375 PolarHBondContact O-CE1 2.86Å; P232-H375 PolarHBondContact O-NE2 3.15Å |
| 233 | D | 90.9 | Very high | 95.4 | Very high | 17 Ų | 17 | 15.4 Ų | 15.4 | 9% | 0.091 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -5.1 | 169.8 | 61.4 | 16.2 | 0 | 0 | 0 | 113.5 | S231 H235 I280 C298 Y379 | S231-D233 VanDerWaalsContact CB-OD1 3.25Å; S231-D233 WeakPolarHBondContact CB-OD1 3.46Å; S231-D233 PolarHBondContact O-N 3.13Å; S231-D233 PolarHBondContact OG-OD1 3.03Å; D233-H235 PolarHBondContact O-N 3.22Å; D233-H235 PolarHBondContact O-ND1 3.48Å; D233-H235 WeakPolarHBondContact OD1-CB 3.47Å; D233-H235 IonicContact OD1-CG 3.63Å; D233-H235 PolarHBondContact OD1-N 2.85Å; D233-H235 IonicContact OD1-ND1 2.97Å; D233-I280 HydrophobicContact CB-CD1 3.94Å; D233-I280 HydrophobicContact CB-CG1 4.38Å; D233-C298 PolarHBondContact OD2-SG 2.79Å; D233-Y379 WeakPolarHBondContact O-CE2 3.4Å; D233-Y379 PolarHBondContact O-OH 3.07Å |
| 234 | G | 91.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.087 | C | C | . | . | S | Bend | trans | 72.8 | -2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | W230 S231 P232 R255 Y379 | W230-G234 WeakPolarHBondContact CZ3-O 3.48Å; S231-G234 PolarHBondContact O-N 2.97Å; P232-G234 VanDerWaalsContact C-N 3.34Å; G234-R255 WeakPolarHBondContact O-CD 3.43Å; G234-R255 PolarHBondContact O-NH1 2.84Å; G234-Y379 PolarHBondContact O-OH 3.17Å |
| 235 | H | 92.9 | Very high | 95.2 | Very high | 69 Ų | 69 | 21.8 Ų | 21.8 | 32% | 0.319 | 11% | 0.109 | S | C | . | . | S | Bend | trans | -76.2 | -31.7 | -171.9 | -73.5 | 45.7 | 0 | 0 | 0 | 113.5 | S231 D233 R255 Y379 | S231-H235 PolarHBondContact OG-N 3.12Å; D233-H235 PolarHBondContact O-N 3.22Å; D233-H235 PolarHBondContact O-ND1 3.48Å; D233-H235 WeakPolarHBondContact OD1-CB 3.47Å; D233-H235 IonicContact OD1-CG 3.63Å; D233-H235 PolarHBondContact OD1-N 2.85Å; D233-H235 IonicContact OD1-ND1 2.97Å; H235-R255 WeakPolarHBondContact O-CB 3.06Å; H235-R255 PolarHBondContact O-N 2.96Å; H235-Y379 PolarHBondContact N-OH 3.38Å; H235-Y379 PolarHBondContact ND1-OH 3.39Å |
| 236 | Y | 96.4 | Very high | 94.7 | Very high | 68 Ų | 68 | 26.2 Ų | 26.2 | 27% | 0.267 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 141.2 | -172.2 | -58.9 | -77.7 | 0 | 0 | 0 | 111.9 | W230 S231 I252 I253 E254 | W230-Y236 CarbonylContact C-O 3.58Å; W230-Y236 WeakPolarHBondContact CA-O 3.46Å; W230-Y236 VanDerWaalsContact CE3-O 3.31Å; S231-Y236 PolarHBondContact N-O 3.12Å; S231-Y236 PolarHBondContact OG-N 2.85Å; S231-Y236 PolarHBondContact OG-O 2.72Å; S231-Y236 VanDerWaalsContact OG-O 3.09Å; Y236-I252 HydrophobicContact CD1-CG2 3.49Å; Y236-I252 VanDerWaalsContact CD1-CG2 3.49Å; Y236-I252 HydrophobicContact CE1-CG2 4.23Å; Y236-I252 HydrophobicContact CG-CG2 4.04Å; Y236-I253 WeakPolarHBondContact CA-O 3.39Å; Y236-E254 HydrophobicContact CD1-CG 4.45Å; Y236-E254 HydrophobicContact CE1-CG 4.12Å |
| 237 | L | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 134.9 | 163.9 | 174.2 | 59 | 0 | 0 | 0 | 107.6 | T181 A190 L198 V200 L228 W230 I253 | T181-L237 HydrophobicContact CG2-CD1 3.57Å; A190-L237 HydrophobicContact CB-CD1 4.23Å; A190-L237 HydrophobicContact CB-CD2 3.49Å; A190-L237 VanDerWaalsContact CB-CD2 3.49Å; L198-L237 HydrophobicContact CD1-CD2 4.12Å; L198-L237 HydrophobicContact CD1-CG 4.44Å; L198-L237 HydrophobicContact CD2-CD2 3.75Å; V200-L237 HydrophobicContact CG2-CD2 4.24Å; L228-L237 HydrophobicContact CD1-CD1 4.16Å; W230-L237 HydrophobicContact CD2-CB 3.98Å; W230-L237 HydrophobicContact CD2-CD1 4.1Å; W230-L237 HydrophobicContact CE3-CB 3.95Å; W230-L237 HydrophobicContact CG-CD1 4Å; W230-L237 HydrophobicContact CH2-CB 4.16Å; W230-L237 HydrophobicContact CZ2-CB 4.19Å; W230-L237 HydrophobicContact CZ2-CD2 4.1Å; W230-L237 HydrophobicContact CZ3-CB 4.04Å; L237-I253 HydrophobicContact CB-CB 4.32Å; L237-I253 HydrophobicContact CG-CD1 4.49Å; L237-I253 PolarHBondContact N-O 3.2Å; L237-I253 WeakPolarHBondContact O-CA 3.4Å; L237-I253 WeakPolarHBondContact O-CB 3.4Å; L237-I253 WeakPolarHBondContact O-CD1 3.44Å; L237-I253 PolarHBondContact O-N 2.85Å |
| 238 | V | 98.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 126.1 | 178.2 | -174.4 | 0 | 0 | 0 | 0 | 110.2 | L228 S229 A250 Q251 I252 F264 V274 F276 | L228-V238 WeakPolarHBondContact CA-O 3.26Å; L228-V238 WeakPolarHBondContact CB-O 3.2Å; S229-V238 PolarHBondContact N-O 3.5Å; S229-V238 PolarHBondContact O-N 3.09Å; V238-A250 HydrophobicContact CG1-CB 3.98Å; V238-Q251 VanDerWaalsContact CA-O 3.29Å; V238-Q251 WeakPolarHBondContact CA-O 3.26Å; V238-Q251 WeakPolarHBondContact CG1-O 3.46Å; V238-I252 HydrophobicContact CG1-CG1 4.38Å; V238-I252 HydrophobicContact CG2-CB 4.22Å; V238-I252 HydrophobicContact CG2-CG1 3.91Å; V238-I252 HydrophobicContact CG2-CG2 4.1Å; V238-F264 HydrophobicContact CG1-CD2 4Å; V238-F264 HydrophobicContact CG1-CE2 4.09Å; V238-F264 HydrophobicContact CG2-CE2 4.19Å; V238-V274 HydrophobicContact CB-CG1 3.9Å; V238-V274 HydrophobicContact CG1-CB 4.43Å; V238-V274 HydrophobicContact CG1-CG1 3.74Å; V238-V274 HydrophobicContact CG1-CG2 4.18Å; V238-F276 HydrophobicContact CB-CE2 3.93Å; V238-F276 HydrophobicContact CB-CZ 4.46Å; V238-F276 HydrophobicContact CG2-CE2 3.47Å; V238-F276 VanDerWaalsContact CG2-CE2 3.47Å; V238-F276 HydrophobicContact CG2-CZ 3.55Å |
| 239 | S | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -86.8 | 155.5 | -176.4 | 81.8 | 0 | 0 | 0 | 0 | 112.4 | F216 A250 Q251 V274 | F216-S239 WeakPolarHBondContact CE1-OG 3.18Å; S239-A250 WeakPolarHBondContact O-CB 3.3Å; S239-Q251 PolarHBondContact N-O 2.99Å; S239-V274 WeakPolarHBondContact O-CG2 3.36Å | ||
| 240 | A | 94.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -72.7 | 167 | 158.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q192 L226 A242 | Q192-A240 PolarHBondContact NE2-O 3.09Å; Q192-A240 PolarHBondContact OE1-O 2.79Å; L226-A240 HydrophobicContact CB-CB 4.11Å; L226-A240 HydrophobicContact CD2-CB 3.94Å; A240-A242 PolarHBondContact O-N 3.32Å |
| 241 | H | 94.8 | Very high | 94 | Very high | 19 Ų | 19 | 28 Ų | 28 | 9% | 0.088 | 16% | 0.157 | C | C | . | . | S | Bend | trans | 17.8 | 86.4 | 176.5 | -164.9 | 3.1 | 0 | 0 | 0 | 116.9 | F216 L226 A270 V271 | F216-H241 WeakPolarHBondContact CD1-O 3.46Å; L226-H241 HydrophobicContact CD2-CB 3.91Å; H241-A270 HydrophobicContact CB-CB 4.32Å; H241-A270 WeakPolarHBondContact CD2-CB 3.47Å; H241-A270 WeakPolarHBondContact NE2-CB 3.4Å; H241-V271 WeakPolarHBondContact CB-O 3.47Å; H241-V271 PolarHBondContact N-O 2.93Å |
| 242 | A | 95.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 178.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | P215 F216 A240 T249 Q251 | P215-A242 HydrophobicContact CB-CB 4.02Å; P215-A242 WeakPolarHBondContact O-CB 3.31Å; F216-A242 HydrophobicContact CD1-CB 4.12Å; F216-A242 HydrophobicContact CE1-CB 3.88Å; A240-A242 PolarHBondContact O-N 3.32Å; A242-T249 HydrophobicContact CB-CG2 3.76Å; A242-T249 PolarHBondContact N-O 3.11Å; A242-T249 PolarHBondContact O-N 3.26Å; A242-Q251 HydrophobicContact CB-CB 3.63Å |
| 243 | M | 94.1 | Very high | 94.3 | Very high | 34 Ų | 34 | 28.4 Ų | 28.4 | 17% | 0.167 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 140.4 | 175.6 | -66.1 | -67.1 | -70.7 | 0 | 0 | 110.9 | P215 E218 C219 S246 G247 P248 | P215-M243 PolarHBondContact O-N 3.49Å; E218-M243 HydrophobicContact CB-CB 3.7Å; E218-M243 HydrophobicContact CB-CG 4.1Å; C219-M243 HydrophobicContact CB-CG 4.44Å; M243-S246 VanDerWaalsContact CE-C 3.46Å; M243-S246 WeakPolarHBondContact CE-O 3.49Å; M243-G247 CarbonylContact C-O 3.41Å; M243-G247 WeakPolarHBondContact CA-O 3.43Å; M243-P248 HydrophobicContact SD-CB 4.15Å |
| 244 | N | 92.1 | Very high | 94.6 | Very high | 64 Ų | 64 | 29.4 Ų | 29.4 | 34% | 0.342 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 121.3 | 176.8 | -176.8 | 6.1 | 0 | 0 | 0 | 109.1 | S246 G247 T249 D263 | N244-S246 VanDerWaalsContact C-N 3.34Å; N244-S246 PolarHBondContact O-N 3.46Å; N244-G247 PolarHBondContact N-O 2.82Å; N244-G247 WeakPolarHBondContact O-CA 3.11Å; N244-G247 PolarHBondContact O-N 3.18Å; N244-T249 HydrophobicContact CB-CG2 3.95Å; N244-D263 WeakPolarHBondContact CB-OD2 3.11Å; N244-D263 VanDerWaalsContact ND2-CG 3.27Å; N244-D263 PolarHBondContact ND2-OD1 3.45Å; N244-D263 VanDerWaalsContact ND2-OD1 3.14Å; N244-D263 PolarHBondContact ND2-OD2 3.35Å |
| 245 | N | 87.6 | Confident | 94.7 | Very high | 145 Ų | 145 | 30 Ų | 30 | 78% | 0.775 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51 | 46.8 | -173.1 | -60.3 | -78.1 | 0 | 0 | 0 | 113.1 | G247 | N245-G247 PolarHBondContact O-N 2.91Š|
| 246 | S | 84.9 | Confident | 94.5 | Very high | 93 Ų | 93 | 32.6 Ų | 32.6 | 65% | 0.65 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60 | 4.8 | -171.4 | -48.7 | 0 | 0 | 0 | 0 | 116.5 | E218 M243 N244 | E218-S246 WeakPolarHBondContact OE2-CA 3.43Å; E218-S246 PolarHBondContact OE2-N 2.86Å; M243-S246 VanDerWaalsContact CE-C 3.46Å; M243-S246 WeakPolarHBondContact CE-O 3.49Å; N244-S246 VanDerWaalsContact C-N 3.34Å; N244-S246 PolarHBondContact O-N 3.46Å |
| 247 | G | 91.1 | Very high | 94.3 | Very high | 28 Ų | 28 | 32.2 Ų | 32.2 | 29% | 0.289 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 140.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | M243 N244 N245 | M243-G247 CarbonylContact C-O 3.41Å; M243-G247 WeakPolarHBondContact CA-O 3.43Å; N244-G247 PolarHBondContact N-O 2.82Å; N244-G247 WeakPolarHBondContact O-CA 3.11Å; N244-G247 PolarHBondContact O-N 3.18Å; N245-G247 PolarHBondContact O-N 2.91Å |
| 248 | P | 93.9 | Very high | 94.2 | Very high | 26 Ų | 26 | 34.2 Ų | 34.2 | 17% | 0.169 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 133.9 | 176.4 | 30.3 | -32.8 | 0 | 0 | 0 | 111 | M243 | M243-P248 HydrophobicContact SD-CB 4.15Å |
| 249 | T | 95.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 169.7 | -174.6 | -161.3 | 0 | 0 | 0 | 0 | 111.6 | A242 N244 D263 F264 | A242-T249 HydrophobicContact CB-CG2 3.76Å; A242-T249 PolarHBondContact N-O 3.11Å; A242-T249 PolarHBondContact O-N 3.26Å; N244-T249 HydrophobicContact CB-CG2 3.95Å; T249-D263 VanDerWaalsContact CB-OD2 3.27Å; T249-D263 WeakPolarHBondContact CB-OD2 3.44Å; T249-D263 HydrophobicContact CG2-CB 3.98Å; T249-D263 VanDerWaalsContact CG2-OD2 3.3Å; T249-D263 WeakPolarHBondContact CG2-OD2 3.25Å; T249-D263 WeakPolarHBondContact OG1-CB 3.26Å; T249-D263 VanDerWaalsContact OG1-CG 3.32Å; T249-D263 PolarHBondContact OG1-OD2 2.78Å; T249-F264 PolarHBondContact OG1-O 2.79Å |
| 250 | A | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 109.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | V238 S239 I252 D263 F264 V271 V274 V302 | V238-A250 HydrophobicContact CG1-CB 3.98Å; S239-A250 WeakPolarHBondContact O-CB 3.3Å; A250-I252 PolarHBondContact O-N 3.27Å; A250-D263 CarbonylContact O-C 3.53Å; A250-D263 WeakPolarHBondContact O-CA 3.22Å; A250-F264 HydrophobicContact CB-CB 4.24Å; A250-F264 HydrophobicContact CB-CD2 4.38Å; A250-F264 PolarHBondContact O-N 3.34Å; A250-V271 HydrophobicContact CB-CG1 4.21Å; A250-V271 HydrophobicContact CB-CG2 4.3Å; A250-V274 HydrophobicContact CB-CG2 3.88Å; A250-V302 HydrophobicContact CB-CG1 4.32Å |
| 251 | Q | 97.6 | Very high | 94.1 | Very high | 12 Ų | 12 | 45.5 Ų | 45.5 | 6% | 0.056 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 128.8 | -176.4 | 179 | 69.1 | 58.8 | 0 | 0 | 110.1 | P215 V238 S239 A242 I253 T260 M262 | P215-Q251 HydrophobicContact CB-CB 4.07Å; P215-Q251 HydrophobicContact CB-CG 3.81Å; P215-Q251 HydrophobicContact CG-CB 4.48Å; P215-Q251 HydrophobicContact CG-CG 3.72Å; V238-Q251 VanDerWaalsContact CA-O 3.29Å; V238-Q251 WeakPolarHBondContact CA-O 3.26Å; V238-Q251 WeakPolarHBondContact CG1-O 3.46Å; S239-Q251 PolarHBondContact N-O 2.99Å; A242-Q251 HydrophobicContact CB-CB 3.63Å; Q251-I253 HydrophobicContact CB-CD1 4.41Å; Q251-I253 HydrophobicContact CG-CD1 4.02Å; Q251-I253 HydrophobicContact CG-CG1 4.11Å; Q251-I253 WeakPolarHBondContact O-CD1 3.45Å; Q251-T260 HydrophobicContact CG-CG2 4.38Å; Q251-T260 VanDerWaalsContact NE2-CA 3.35Å; Q251-T260 PolarHBondContact NE2-O 2.92Å; Q251-M262 PolarHBondContact NE2-O 2.9Å |
| 252 | I | 97.9 | Very high | 94.1 | Very high | 20 Ų | 20 | 49 Ų | 49 | 10% | 0.103 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 129.2 | 166.4 | -51.8 | 165.6 | 0 | 0 | 0 | 107.9 | Y236 V238 A250 M262 F264 | Y236-I252 HydrophobicContact CD1-CG2 3.49Å; Y236-I252 VanDerWaalsContact CD1-CG2 3.49Å; Y236-I252 HydrophobicContact CE1-CG2 4.23Å; Y236-I252 HydrophobicContact CG-CG2 4.04Å; V238-I252 HydrophobicContact CG1-CG1 4.38Å; V238-I252 HydrophobicContact CG2-CB 4.22Å; V238-I252 HydrophobicContact CG2-CG1 3.91Å; V238-I252 HydrophobicContact CG2-CG2 4.1Å; A250-I252 PolarHBondContact O-N 3.27Å; I252-M262 WeakPolarHBondContact CA-O 3.21Å; I252-M262 HydrophobicContact CB-CB 4.21Å; I252-M262 VanDerWaalsContact CB-O 3.23Å; I252-M262 WeakPolarHBondContact CB-O 3.47Å; I252-M262 HydrophobicContact CD1-CB 4.07Å; I252-M262 PolarHBondContact N-O 3.36Å; I252-F264 HydrophobicContact CD1-CD1 4.09Å; I252-F264 HydrophobicContact CD1-CD2 4.42Å; I252-F264 HydrophobicContact CD1-CE1 3.84Å; I252-F264 HydrophobicContact CD1-CE2 4.19Å; I252-F264 HydrophobicContact CD1-CG 4.37Å; I252-F264 HydrophobicContact CD1-CZ 3.9Å; I252-F264 HydrophobicContact CG1-CD2 4.29Å; I252-F264 HydrophobicContact CG1-CE2 4.16Å; I252-F264 HydrophobicContact CG1-CZ 4.35Å |
| 253 | I | 98.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 123.3 | 176.3 | -57.8 | 96.9 | 0 | 0 | 0 | 108.2 | L198 I212 Y236 L237 Q251 W258 K259 T260 | L198-I253 HydrophobicContact CD1-CD1 4.1Å; I212-I253 HydrophobicContact CD1-CG1 4.15Å; I212-I253 HydrophobicContact CD1-CG2 3.61Å; Y236-I253 WeakPolarHBondContact CA-O 3.39Å; L237-I253 HydrophobicContact CB-CB 4.32Å; L237-I253 HydrophobicContact CG-CD1 4.49Å; L237-I253 PolarHBondContact N-O 3.2Å; L237-I253 WeakPolarHBondContact O-CA 3.4Å; L237-I253 WeakPolarHBondContact O-CB 3.4Å; L237-I253 WeakPolarHBondContact O-CD1 3.44Å; L237-I253 PolarHBondContact O-N 2.85Å; Q251-I253 HydrophobicContact CB-CD1 4.41Å; Q251-I253 HydrophobicContact CG-CD1 4.02Å; Q251-I253 HydrophobicContact CG-CG1 4.11Å; Q251-I253 WeakPolarHBondContact O-CD1 3.45Å; I253-W258 HydrophobicContact CG2-CE3 3.99Å; I253-K259 WeakPolarHBondContact CA-O 3.47Å; I253-T260 HydrophobicContact CG1-CG2 4.15Å |
| 254 | E | 96.3 | Very high | 94.2 | Very high | 38 Ų | 38 | 50 Ų | 50 | 18% | 0.178 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 130.5 | 170.5 | -67.6 | 170.3 | -155.7 | 0 | 0 | 110 | Y236 E256 W258 K259 | Y236-E254 HydrophobicContact CD1-CG 4.45Å; Y236-E254 HydrophobicContact CE1-CG 4.12Å; E254-E256 VanDerWaalsContact C-N 3.28Å; E254-E256 PolarHBondContact O-N 3.45Å; E254-W258 WeakPolarHBondContact O-CA 3.43Å; E254-W258 PolarHBondContact O-N 2.87Å; E254-W258 VanDerWaalsContact O-N 3.15Å; E254-K259 HydrophobicContact CB-CB 4.24Å; E254-K259 HydrophobicContact CG-CB 4.46Å; E254-K259 PolarHBondContact N-O 3.07Å; E254-K259 PolarHBondContact O-N 2.77Å; E254-K259 WeakPolarHBondContact OE2-CD 3.28Å; E254-K259 IonicContact OE2-NZ 3.73Å; E254-K259 PolarHBondContact OE2-NZ 3.44Å |
| 255 | R | 93.8 | Very high | 94.2 | Very high | 14 Ų | 14 | 51.1 Ų | 51.1 | 5% | 0.053 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -46.6 | 173.2 | -171.7 | -165.7 | -165.3 | 91.4 | 3 | 111.7 | D183 W230 G234 H235 G257 | D183-R255 VanDerWaalsContact CG-NH1 3.35Å; D183-R255 IonicContact OD1-CZ 2.83Å; D183-R255 IonicContact OD1-NH1 2.69Å; D183-R255 PolarHBondContact OD1-NH1 3.01Å; D183-R255 IonicContact OD1-NH2 3.34Å; D183-R255 PolarHBondContact OD1-NH2 3.33Å; D183-R255 IonicContact OD2-CZ 2.84Å; D183-R255 IonicContact OD2-NH1 3.55Å; D183-R255 IonicContact OD2-NH2 3.61Å; D183-R255 PolarHBondContact OD2-NH2 3.09Å; W230-R255 HydrophobicContact CH2-CB 4.41Å; W230-R255 HydrophobicContact CH2-CG 4.14Å; W230-R255 HydrophobicContact CZ3-CB 4.11Å; W230-R255 HydrophobicContact CZ3-CG 4.14Å; G234-R255 WeakPolarHBondContact O-CD 3.43Å; G234-R255 PolarHBondContact O-NH1 2.84Å; H235-R255 WeakPolarHBondContact O-CB 3.06Å; H235-R255 PolarHBondContact O-N 2.96Å; R255-G257 PolarHBondContact O-N 2.89Å |
| 256 | E | 90.3 | Very high | 94.3 | Very high | 123 Ų | 123 | 46.7 Ų | 46.7 | 58% | 0.575 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | 95.4 | -173.8 | -60.7 | -49.7 | 131.8 | 0 | 0 | 111.5 | E254 K259 | E254-E256 VanDerWaalsContact C-N 3.28Å; E254-E256 PolarHBondContact O-N 3.45Å; E256-K259 PolarHBondContact O-NZ 2.8Å |
| 257 | G | 91.9 | Very high | 94.8 | Very high | 59 Ų | 59 | 42.8 Ų | 42.8 | 61% | 0.608 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.3 | 16 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | R255 K259 | R255-G257 PolarHBondContact O-N 2.89Å; G257-K259 VanDerWaalsContact C-N 3.26Å; G257-K259 PolarHBondContact O-N 2.98Å; G257-K259 VanDerWaalsContact O-N 3.14Å |
| 258 | W | 96.1 | Very high | 94.9 | Very high | 42 Ų | 42 | 50.8 Ų | 50.8 | 16% | 0.159 | 27% | 0.272 | C | S | . | . | trans | 55.1 | 34.3 | 169.4 | -55.1 | 116.2 | 0 | 0 | 0 | 115 | Y188 V200 E209 T210 I212 W230 I253 E254 | Y188-W258 AromaticContact CD2-CH2 3.98Å; Y188-W258 HydrophobicContact CD2-CH2 3.98Å; Y188-W258 HydrophobicContact CD2-CZ2 4.28Å; Y188-W258 HydrophobicContact CE1-CZ2 4.16Å; Y188-W258 AromaticContact CE2-CH2 3.98Å; Y188-W258 HydrophobicContact CE2-CH2 3.98Å; Y188-W258 AromaticContact CE2-CZ2 3.88Å; Y188-W258 HydrophobicContact CE2-CZ2 3.88Å; Y188-W258 HydrophobicContact CG-CH2 4.35Å; Y188-W258 AromaticContact CZ-CZ2 3.81Å; V200-W258 HydrophobicContact CB-CH2 4.28Å; V200-W258 HydrophobicContact CB-CZ2 4.47Å; V200-W258 HydrophobicContact CG1-CH2 3.67Å; V200-W258 HydrophobicContact CG1-CZ2 4.03Å; V200-W258 HydrophobicContact CG1-CZ3 4.24Å; V200-W258 HydrophobicContact CG2-CE3 4.23Å; V200-W258 HydrophobicContact CG2-CH2 4.16Å; V200-W258 HydrophobicContact CG2-CZ3 3.91Å; E209-W258 HydrophobicContact CG-CZ2 4.17Å; T210-W258 HydrophobicContact CG2-CB 4.26Å; T210-W258 HydrophobicContact CG2-CD2 3.6Å; T210-W258 HydrophobicContact CG2-CE3 4.24Å; T210-W258 HydrophobicContact CG2-CG 3.55Å; T210-W258 HydrophobicContact CG2-CZ2 4.47Å; I212-W258 HydrophobicContact CD1-CB 4.09Å; W230-W258 AromaticContact CH2-CH2 3.74Å; W230-W258 HydrophobicContact CH2-CH2 3.74Å; W230-W258 AromaticContact CH2-CZ3 3.64Å; W230-W258 HydrophobicContact CH2-CZ3 3.64Å; W230-W258 HydrophobicContact CZ2-CH2 4.09Å; W230-W258 HydrophobicContact CZ2-CZ3 4.09Å; I253-W258 HydrophobicContact CG2-CE3 3.99Å; E254-W258 WeakPolarHBondContact O-CA 3.43Å; E254-W258 PolarHBondContact O-N 2.87Å; E254-W258 VanDerWaalsContact O-N 3.15Å | ||
| 259 | K | 95.9 | Very high | 95 | Very high | 87 Ų | 87 | 55 Ų | 55 | 38% | 0.378 | 29% | 0.288 | S | S | . | . | trans | -77.4 | 140.3 | -171.9 | -47.6 | -170.2 | -149.4 | 69.1 | 0 | 111.9 | I253 E254 E256 G257 | I253-K259 WeakPolarHBondContact CA-O 3.47Å; E254-K259 HydrophobicContact CB-CB 4.24Å; E254-K259 HydrophobicContact CG-CB 4.46Å; E254-K259 PolarHBondContact N-O 3.07Å; E254-K259 PolarHBondContact O-N 2.77Å; E254-K259 WeakPolarHBondContact OE2-CD 3.28Å; E254-K259 IonicContact OE2-NZ 3.73Å; E254-K259 PolarHBondContact OE2-NZ 3.44Å; E256-K259 PolarHBondContact O-NZ 2.8Å; G257-K259 VanDerWaalsContact C-N 3.26Å; G257-K259 PolarHBondContact O-N 2.98Å; G257-K259 VanDerWaalsContact O-N 3.14Å | ||
| 260 | T | 96.8 | Very high | 95 | Very high | 33 Ų | 33 | 55.6 Ų | 55.6 | 20% | 0.202 | 29% | 0.292 | C | S | . | . | trans | -115 | 54.8 | -175 | 64.2 | 0 | 0 | 0 | 0 | 111.2 | I212 P215 Q251 I253 | I212-T260 HydrophobicContact CG2-CG2 3.64Å; P215-T260 HydrophobicContact CG-CG2 3.69Å; Q251-T260 HydrophobicContact CG-CG2 4.38Å; Q251-T260 VanDerWaalsContact NE2-CA 3.35Å; Q251-T260 PolarHBondContact NE2-O 2.92Å; I253-T260 HydrophobicContact CG1-CG2 4.15Å | ||
| 261 | N | 94.6 | Very high | 95 | Very high | 118 Ų | 118 | 55.6 Ų | 55.6 | 63% | 0.631 | 29% | 0.292 | S | S | * | . | trans | -100.9 | -4.7 | -168.8 | -66.7 | -21.1 | 0 | 0 | 0 | 114.7 | ||||
| 262 | M | 94.5 | Very high | 95 | Very high | 92 Ų | 92 | 55.1 Ų | 55.1 | 45% | 0.453 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 150.7 | -175.1 | -52.4 | -174.7 | -158.1 | 0 | 0 | 110.5 | Q251 I252 | Q251-M262 PolarHBondContact NE2-O 2.9Å; I252-M262 WeakPolarHBondContact CA-O 3.21Å; I252-M262 HydrophobicContact CB-CB 4.21Å; I252-M262 VanDerWaalsContact CB-O 3.23Å; I252-M262 WeakPolarHBondContact CB-O 3.47Å; I252-M262 HydrophobicContact CD1-CB 4.07Å; I252-M262 PolarHBondContact N-O 3.36Å |
| 263 | D | 95.6 | Very high | 95 | Very high | 38 Ų | 38 | 54.2 Ų | 54.2 | 20% | 0.203 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 154.4 | -175.8 | 66.2 | -44 | 0 | 0 | 0 | 113 | N244 T249 A250 V265 | N244-D263 WeakPolarHBondContact CB-OD2 3.11Å; N244-D263 VanDerWaalsContact ND2-CG 3.27Å; N244-D263 PolarHBondContact ND2-OD1 3.45Å; N244-D263 VanDerWaalsContact ND2-OD1 3.14Å; N244-D263 PolarHBondContact ND2-OD2 3.35Å; T249-D263 VanDerWaalsContact CB-OD2 3.27Å; T249-D263 WeakPolarHBondContact CB-OD2 3.44Å; T249-D263 HydrophobicContact CG2-CB 3.98Å; T249-D263 VanDerWaalsContact CG2-OD2 3.3Å; T249-D263 WeakPolarHBondContact CG2-OD2 3.25Å; T249-D263 WeakPolarHBondContact OG1-CB 3.26Å; T249-D263 VanDerWaalsContact OG1-CG 3.32Å; T249-D263 PolarHBondContact OG1-OD2 2.78Å; A250-D263 CarbonylContact O-C 3.53Å; A250-D263 WeakPolarHBondContact O-CA 3.22Å; D263-V265 PolarHBondContact O-N 2.86Å; D263-V265 WeakPolarHBondContact OD2-CG2 3.25Å |
| 264 | F | 95.6 | Very high | 95 | Very high | 17 Ų | 17 | 54.2 Ų | 54.2 | 8% | 0.075 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 89.2 | 175.9 | -63.4 | -52.3 | 0 | 0 | 0 | 111.2 | V238 T249 A250 I252 C300 V302 W312 | V238-F264 HydrophobicContact CG1-CD2 4Å; V238-F264 HydrophobicContact CG1-CE2 4.09Å; V238-F264 HydrophobicContact CG2-CE2 4.19Å; T249-F264 PolarHBondContact OG1-O 2.79Å; A250-F264 HydrophobicContact CB-CB 4.24Å; A250-F264 HydrophobicContact CB-CD2 4.38Å; A250-F264 PolarHBondContact O-N 3.34Å; I252-F264 HydrophobicContact CD1-CD1 4.09Å; I252-F264 HydrophobicContact CD1-CD2 4.42Å; I252-F264 HydrophobicContact CD1-CE1 3.84Å; I252-F264 HydrophobicContact CD1-CE2 4.19Å; I252-F264 HydrophobicContact CD1-CG 4.37Å; I252-F264 HydrophobicContact CD1-CZ 3.9Å; I252-F264 HydrophobicContact CG1-CD2 4.29Å; I252-F264 HydrophobicContact CG1-CE2 4.16Å; I252-F264 HydrophobicContact CG1-CZ 4.35Å; F264-C300 HydrophobicContact CE2-CB 4.28Å; F264-C300 HydrophobicContact CZ-CB 4.41Å; F264-V302 HydrophobicContact CD2-CG2 3.96Å; F264-W312 HydrophobicContact CB-CD2 4.39Å; F264-W312 HydrophobicContact CB-CH2 4.37Å; F264-W312 HydrophobicContact CB-CZ2 3.89Å; F264-W312 HydrophobicContact CD1-CB 4.27Å; F264-W312 AromaticContact CD1-CD2 3.39Å; F264-W312 HydrophobicContact CD1-CD2 3.39Å; F264-W312 AromaticContact CD1-CE2 3.8Å; F264-W312 AromaticContact CD1-CE3 3.47Å; F264-W312 HydrophobicContact CD1-CE3 3.47Å; F264-W312 VanDerWaalsContact CD1-CE3 3.47Å; F264-W312 AromaticContact CD1-CG 3.77Å; F264-W312 HydrophobicContact CD1-CG 3.77Å; F264-W312 HydrophobicContact CD1-CH2 4.27Å; F264-W312 HydrophobicContact CD1-CZ2 4.24Å; F264-W312 AromaticContact CD1-CZ3 3.91Å; F264-W312 HydrophobicContact CD1-CZ3 3.91Å; F264-W312 HydrophobicContact CE1-CB 3.78Å; F264-W312 AromaticContact CE1-CD2 3.8Å; F264-W312 HydrophobicContact CE1-CD2 3.8Å; F264-W312 AromaticContact CE1-CE3 3.82Å; F264-W312 HydrophobicContact CE1-CE3 3.82Å; F264-W312 AromaticContact CE1-CG 3.81Å; F264-W312 HydrophobicContact CE1-CG 3.81Å; F264-W312 HydrophobicContact CG-CD2 4.04Å; F264-W312 HydrophobicContact CG-CE3 4.46Å; F264-W312 HydrophobicContact CG-CG 4.26Å; F264-W312 HydrophobicContact CG-CZ2 4.44Å; F264-W312 HydrophobicContact CZ-CB 4.07Å; F264-W312 HydrophobicContact CZ-CG 4.33Å |
| 265 | V | 93.4 | Very high | 95.1 | Very high | 87 Ų | 87 | 54.3 Ų | 54.3 | 53% | 0.527 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 138.6 | 178.2 | -175.1 | 0 | 0 | 0 | 0 | 111.6 | D263 W312 | D263-V265 PolarHBondContact O-N 2.86Å; D263-V265 WeakPolarHBondContact OD2-CG2 3.25Å; V265-W312 WeakPolarHBondContact O-CH2 3.39Å |
| 266 | G | 89.9 | Confident | 95.3 | Very high | 52 Ų | 52 | 54.3 Ų | 54.3 | 54% | 0.536 | 29% | 0.286 | S | S | . | . | trans | 154.6 | -20.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 267 | H | 94.9 | Very high | 95.7 | Very high | 12 Ų | 12 | 48.5 Ų | 48.5 | 6% | 0.056 | 26% | 0.259 | C | S | . | . | trans | -73.5 | 149 | 175.7 | -73.2 | -71.7 | 0 | 0 | 0 | 112.1 | V271 S304 D306 S308 S310 | H267-V271 HydrophobicContact CB-CG2 4.33Å; H267-S304 VanDerWaalsContact ND1-CB 3.3Å; H267-S304 WeakPolarHBondContact ND1-CB 3.14Å; H267-D306 VanDerWaalsContact CA-OD2 3.29Å; H267-D306 WeakPolarHBondContact CA-OD2 3.35Å; H267-D306 WeakPolarHBondContact CB-OD2 3.45Å; H267-D306 IonicContact CG-OD2 3.79Å; H267-D306 IonicContact ND1-OD1 2.95Å; H267-D306 PolarHBondContact ND1-OD1 3.11Å; H267-D306 IonicContact ND1-OD2 3.17Å; H267-D306 PolarHBondContact ND1-OD2 2.9Å; H267-S308 PolarHBondContact CE1-O 3.5Å; H267-S308 PolarHBondContact CE1-OG 3.36Å; H267-S308 VanDerWaalsContact CE1-OG 3.29Å; H267-S308 PolarHBondContact ND1-OG 3.25Å; H267-S310 PolarHBondContact NE2-OG 2.93Å | ||
| 268 | R | 93.5 | Very high | 95.7 | Very high | 196 Ų | 196 | 47.8 Ų | 47.8 | 74% | 0.74 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -93.7 | -10.3 | -177.4 | -58.8 | 179.6 | -174.8 | -102.7 | 3.3 | 113.3 | D306 | R268-D306 HydrophobicContact CB-CB 4.1Å; R268-D306 PolarHBondContact N-OD2 3.47Å |
| 269 | K | 95.3 | Very high | 95.6 | Very high | 115 Ų | 115 | 47.4 Ų | 47.4 | 50% | 0.5 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -145.1 | 169.2 | 177 | -59.2 | -179.1 | -173.1 | 167.1 | 0 | 109.4 | V271 S304 K305 D306 | K269-V271 PolarHBondContact O-N 3.02Å; K269-S304 PolarHBondContact O-OG 2.95Å; K269-K305 HydrophobicContact CB-CB 4.16Å; K269-D306 HydrophobicContact CB-CB 3.94Å; K269-D306 HydrophobicContact CD-CB 4.27Å; K269-D306 HydrophobicContact CG-CB 3.98Å |
| 270 | A | 95.6 | Very high | 95.5 | Very high | 13 Ų | 13 | 43.4 Ų | 43.4 | 11% | 0.107 | 23% | 0.225 | C | C | . | . | trans | -40.8 | 124.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | T223 H241 T272 S304 K305 | T223-A270 HydrophobicContact CG2-CB 3.58Å; H241-A270 HydrophobicContact CB-CB 4.32Å; H241-A270 WeakPolarHBondContact CD2-CB 3.47Å; H241-A270 WeakPolarHBondContact NE2-CB 3.4Å; A270-T272 PolarHBondContact O-N 3.33Å; A270-S304 PolarHBondContact O-OG 2.79Å; A270-S304 VanDerWaalsContact O-OG 3.09Å; A270-K305 WeakPolarHBondContact O-CB 3.47Å; A270-K305 PolarHBondContact O-N 3.04Å | ||
| 271 | V | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 124.9 | 168.7 | 170.4 | 0 | 0 | 0 | 0 | 108.9 | H241 A250 H267 K269 V274 V302 | H241-V271 WeakPolarHBondContact CB-O 3.47Å; H241-V271 PolarHBondContact N-O 2.93Å; A250-V271 HydrophobicContact CB-CG1 4.21Å; A250-V271 HydrophobicContact CB-CG2 4.3Å; H267-V271 HydrophobicContact CB-CG2 4.33Å; K269-V271 PolarHBondContact O-N 3.02Å; V271-V274 HydrophobicContact CG1-CG2 3.77Å; V271-V302 HydrophobicContact CB-CG1 4.32Å; V271-V302 HydrophobicContact CG1-CG1 3.56Å; V271-V302 HydrophobicContact CG2-CG1 3.76Å |
| 272 | T | 97.4 | Very high | 95.1 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -34.1 | 180 | 43 | 0 | 0 | 0 | 0 | 112.6 | T223 R227 A270 G303 K305 I331 | T223-T272 HydrophobicContact CG2-CG2 3.7Å; R227-T272 PolarHBondContact N-O 2.89Å; R227-T272 VanDerWaalsContact N-O 3.11Å; A270-T272 PolarHBondContact O-N 3.33Å; T272-G303 PolarHBondContact N-O 3.11Å; T272-G303 PolarHBondContact OG1-O 2.79Å; T272-K305 HydrophobicContact CG2-CB 4.33Å; T272-I331 WeakPolarHBondContact CB-O 3.35Å; T272-I331 PolarHBondContact OG1-O 3.02Å |
| 273 | V | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 138.4 | -175.7 | 52.4 | 0 | 0 | 0 | 0 | 112.4 | R227 K275 V302 G303 I331 I334 | R227-V273 HydrophobicContact CB-CB 3.81Å; R227-V273 HydrophobicContact CB-CG2 3.67Å; R227-V273 HydrophobicContact CG-CB 4.27Å; R227-V273 HydrophobicContact CG-CG2 4.25Å; R227-V273 CarbonylContact O-C 3.51Å; R227-V273 WeakPolarHBondContact O-CA 3.44Å; V273-K275 HydrophobicContact CG2-CG 3.92Å; V273-V302 WeakPolarHBondContact O-CA 3.36Å; V273-G303 PolarHBondContact N-O 3Å; V273-G303 PolarHBondContact O-N 3.09Å; V273-I331 HydrophobicContact CG1-CG2 3.68Å; V273-I334 HydrophobicContact CG1-CD1 3.79Å; V273-I334 HydrophobicContact CG1-CG1 3.91Å; V273-I334 HydrophobicContact CG2-CB 4.03Å; V273-I334 HydrophobicContact CG2-CD1 4.11Å; V273-I334 HydrophobicContact CG2-CG1 4.06Å |
| 274 | V | 98.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 130.9 | 168.1 | -176 | 0 | 0 | 0 | 0 | 107.9 | R227 S229 V238 S239 A250 V271 C300 A301 V302 | R227-V274 PolarHBondContact O-N 3.09Å; S229-V274 VanDerWaalsContact CB-O 3.26Å; S229-V274 WeakPolarHBondContact CB-O 3.28Å; V238-V274 HydrophobicContact CB-CG1 3.9Å; V238-V274 HydrophobicContact CG1-CB 4.43Å; V238-V274 HydrophobicContact CG1-CG1 3.74Å; V238-V274 HydrophobicContact CG1-CG2 4.18Å; S239-V274 WeakPolarHBondContact O-CG2 3.36Å; A250-V274 HydrophobicContact CB-CG2 3.88Å; V271-V274 HydrophobicContact CG1-CG2 3.77Å; V274-C300 WeakPolarHBondContact CG1-SG 3.45Å; V274-A301 WeakPolarHBondContact CA-O 3.46Å; V274-V302 HydrophobicContact CG1-CG2 4.3Å; V274-V302 HydrophobicContact CG2-CG1 4.34Å; V274-V302 HydrophobicContact CG2-CG2 4.36Å |
| 275 | K | 98.4 | Very high | 91.9 | Very high | 40 Ų | 40 | 49 Ų | 49 | 17% | 0.174 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 117.3 | 176.1 | -75.9 | -68.9 | -168 | 177.9 | 0 | 110.8 | V273 A301 I334 W336 | V273-K275 HydrophobicContact CG2-CG 3.92Å; K275-A301 PolarHBondContact N-O 2.83Å; K275-A301 PolarHBondContact O-N 2.96Å; K275-I334 HydrophobicContact CB-CB 4.03Å; K275-I334 HydrophobicContact CB-CG2 3.69Å; K275-I334 HydrophobicContact CG-CB 3.8Å; K275-I334 HydrophobicContact CG-CG2 3.98Å; K275-I334 WeakPolarHBondContact CG-O 3.34Å; K275-W336 PolarHBondContact O-NE1 3.32Å |
| 276 | F | 98.4 | Very high | 90.3 | Very high | 15 Ų | 15 | 53.3 Ų | 53.3 | 7% | 0.066 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 151.1 | 166.4 | -76.1 | -93.9 | 0 | 0 | 0 | 111.4 | S229 W230 V238 C298 C299 C300 W336 | S229-F276 WeakPolarHBondContact O-CE2 3.49Å; S229-F276 PolarHBondContact OG-N 3.39Å; W230-F276 WeakPolarHBondContact O-CB 3.48Å; W230-F276 WeakPolarHBondContact O-CD2 3.24Å; W230-F276 WeakPolarHBondContact O-CG 3.33Å; V238-F276 HydrophobicContact CB-CE2 3.93Å; V238-F276 HydrophobicContact CB-CZ 4.46Å; V238-F276 HydrophobicContact CG2-CE2 3.47Å; V238-F276 VanDerWaalsContact CG2-CE2 3.47Å; V238-F276 HydrophobicContact CG2-CZ 3.55Å; F276-C298 HydrophobicContact CD1-CB 4.07Å; F276-C298 HydrophobicContact CE1-CB 4.15Å; F276-C299 WeakPolarHBondContact CA-O 3.3Å; F276-C299 WeakPolarHBondContact CD1-O 3.38Å; F276-C300 HydrophobicContact CD1-CB 3.59Å; F276-C300 HydrophobicContact CD2-CB 4.45Å; F276-C300 VanDerWaalsContact CD2-SG 3.59Å; F276-C300 HydrophobicContact CE1-CB 3.63Å; F276-C300 HydrophobicContact CG-CB 4.03Å; F276-C300 HydrophobicContact CZ-CB 4.11Å; F276-W336 PolarHBondContact O-NE1 2.9Å |
| 277 | N | 97.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 141.1 | 168.7 | -167.2 | -60.9 | 0 | 0 | 0 | 109.6 | P232 K279 F281 C299 W336 G340 | P232-N277 VanDerWaalsContact CG-O 3.24Å; P232-N277 WeakPolarHBondContact CG-O 3.39Å; N277-K279 PolarHBondContact O-N 2.99Å; N277-K279 WeakPolarHBondContact OD1-CB 3.3Å; N277-K279 PolarHBondContact OD1-N 2.9Å; N277-F281 HydrophobicContact CB-CE2 4.26Å; N277-C299 HydrophobicContact CB-CB 3.82Å; N277-C299 WeakPolarHBondContact CB-O 3.48Å; N277-C299 PolarHBondContact N-O 3.46Å; N277-W336 HydrophobicContact CB-CD2 4.05Å; N277-W336 HydrophobicContact CB-CE3 4.38Å; N277-W336 HydrophobicContact CB-CG 4.42Å; N277-W336 HydrophobicContact CB-CZ2 4.23Å; N277-W336 WeakPolarHBondContact ND2-CZ3 3.46Å; N277-G340 PolarHBondContact ND2-O 3.18Å; N277-G340 WeakPolarHBondContact OD1-CA 3.37Å |
| 278 | P | 93.2 | Very high | 86.7 | Confident | 44 Ų | 44 | 62.7 Ų | 62.7 | 29% | 0.286 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | -14.1 | 178.4 | 27.2 | -36 | 0 | 0 | 0 | 113.9 | W336 K371 | P278-W336 HydrophobicContact CG-CB 4.42Å; P278-K371 PolarHBondContact O-NZ 2.52Å |
| 279 | K | 93.4 | Very high | 84.9 | Confident | 33 Ų | 33 | 57.1 Ų | 57.1 | 14% | 0.143 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 139.7 | 177.8 | -59.3 | -63.2 | 177.6 | 176.5 | 0 | 111.8 | N277 F281 L338 P365 E368 | N277-K279 PolarHBondContact O-N 2.99Å; N277-K279 WeakPolarHBondContact OD1-CB 3.3Å; N277-K279 PolarHBondContact OD1-N 2.9Å; K279-F281 HydrophobicContact CB-CE2 3.98Å; K279-F281 HydrophobicContact CB-CZ 4Å; K279-F281 WeakPolarHBondContact O-CD2 2.99Å; K279-F281 WeakPolarHBondContact O-CE2 3.14Å; K279-L338 WeakPolarHBondContact CE-O 3.38Å; K279-P365 HydrophobicContact CB-CB 4.13Å; K279-P365 HydrophobicContact CD-CB 4.43Å; K279-P365 HydrophobicContact CG-CB 4.21Å; K279-E368 IonicContact NZ-OE1 3.82Å; K279-E368 PolarHBondContact NZ-OE1 3.36Å |
| 280 | I | 94.5 | Very high | 82.8 | Confident | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.015 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 141.4 | 161.1 | -55.8 | 167.9 | 0 | 0 | 0 | 106.4 | P232 D233 P296 L366 K371 I374 | P232-I280 HydrophobicContact CB-CG1 4.06Å; P232-I280 HydrophobicContact CG-CG1 3.82Å; D233-I280 HydrophobicContact CB-CD1 3.94Å; D233-I280 HydrophobicContact CB-CG1 4.38Å; I280-P296 HydrophobicContact CG2-CB 3.67Å; I280-L366 HydrophobicContact CB-CB 4.43Å; I280-L366 HydrophobicContact CB-CD1 3.77Å; I280-L366 HydrophobicContact CB-CG 3.99Å; I280-L366 HydrophobicContact CD1-CD1 4.39Å; I280-L366 HydrophobicContact CG2-CD1 3.53Å; I280-L366 HydrophobicContact CG2-CG 3.97Å; I280-L366 PolarHBondContact O-N 2.8Å; I280-K371 HydrophobicContact CD1-CB 4.22Å; I280-K371 HydrophobicContact CD1-CD 4.24Å; I280-K371 HydrophobicContact CD1-CG 3.88Å; I280-I374 HydrophobicContact CD1-CD1 4.35Å |
| 281 | F | 93.4 | Very high | 80.6 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 154.7 | -178.5 | -66.9 | -90.7 | 0 | 0 | 0 | 111.8 | N277 K279 P296 Y297 C299 L362 G363 D364 P365 | N277-F281 HydrophobicContact CB-CE2 4.26Å; K279-F281 HydrophobicContact CB-CE2 3.98Å; K279-F281 HydrophobicContact CB-CZ 4Å; K279-F281 WeakPolarHBondContact O-CD2 2.99Å; K279-F281 WeakPolarHBondContact O-CE2 3.14Å; F281-P296 CarbonylContact O-C 3.59Å; F281-P296 VanDerWaalsContact O-CA 3.29Å; F281-P296 WeakPolarHBondContact O-CA 3.22Å; F281-Y297 HydrophobicContact CB-CD2 4.02Å; F281-Y297 HydrophobicContact CB-CE1 4.46Å; F281-Y297 HydrophobicContact CB-CE2 3.51Å; F281-Y297 HydrophobicContact CG-CE2 4.42Å; F281-Y297 PolarHBondContact N-O 3.35Å; F281-Y297 PolarHBondContact O-N 2.96Å; F281-C299 HydrophobicContact CD2-CB 4.23Å; F281-C299 HydrophobicContact CE2-CB 4.03Å; F281-L362 HydrophobicContact CD1-CB 4.19Å; F281-L362 HydrophobicContact CE1-CB 3.9Å; F281-L362 HydrophobicContact CZ-CB 4.22Å; F281-L362 HydrophobicContact CZ-CD1 4.29Å; F281-G363 WeakPolarHBondContact CD1-O 3.22Å; F281-D364 CarbonylContact C-O 3.53Å; F281-D364 WeakPolarHBondContact CA-O 3.41Å; F281-P365 HydrophobicContact CD1-CB 4.37Å; F281-P365 HydrophobicContact CE1-CB 4.21Å |
| 282 | K | 89.8 | Confident | 78.5 | Confident | 55 Ų | 55 | 68.3 Ų | 68.3 | 24% | 0.239 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 151 | 169.8 | 59.9 | -174.6 | 167.2 | -149.3 | 0 | 110.2 | K284 D364 L366 E370 | K282-K284 PolarHBondContact O-N 3.18Å; K282-D364 HydrophobicContact CG-CB 4.09Å; K282-D364 WeakPolarHBondContact CG-O 3.36Å; K282-D364 PolarHBondContact N-O 3.24Å; K282-D364 PolarHBondContact O-N 2.89Å; K282-L366 HydrophobicContact CB-CD2 3.92Å; K282-L366 HydrophobicContact CD-CD2 3.53Å; K282-L366 HydrophobicContact CG-CD2 3.8Å; K282-E370 IonicContact NZ-OE1 3.46Å; K282-E370 PolarHBondContact NZ-OE1 2.7Å; K282-E370 IonicContact NZ-OE2 3.29Å; K282-E370 PolarHBondContact NZ-OE2 2.88Å |
| 283 | K | 82.1 | Confident | 76.6 | Confident | 151 Ų | 151 | 73.9 Ų | 73.9 | 66% | 0.657 | 42% | 0.415 | S | S | * | . | trans | -78.3 | 112.5 | -175.7 | -172.8 | 172.9 | -176.5 | 173 | 0 | 110.6 | Q285 Y297 | K283-Q285 PolarHBondContact O-N 2.94Å; K283-Q285 VanDerWaalsContact O-N 3.12Å; K283-Y297 HydrophobicContact CB-CE1 4.25Å | ||
| 284 | K | 70.3 | Confident | 75.2 | Confident | 89 Ų | 89 | 75.9 Ų | 75.9 | 39% | 0.387 | 43% | 0.429 | S | S | . | . | trans | -43.3 | 113.1 | 174.3 | -167 | 167.6 | -178.2 | 178.8 | 0 | 111.7 | K282 K286 D360 D364 | K282-K284 PolarHBondContact O-N 3.18Å; K284-K286 PolarHBondContact O-N 2.82Å; K284-D360 WeakPolarHBondContact CD-OD1 3.22Å; K284-D360 WeakPolarHBondContact CE-OD1 3.46Å; K284-D360 IonicContact NZ-OD1 3.37Å; K284-D360 PolarHBondContact NZ-OD1 3.42Å; K284-D360 IonicContact NZ-OD2 2.95Å; K284-D364 WeakPolarHBondContact CA-OD2 3.46Å; K284-D364 VanDerWaalsContact CB-OD2 3.3Å; K284-D364 WeakPolarHBondContact CB-OD2 3.27Å; K284-D364 WeakPolarHBondContact CG-OD2 3.33Å | ||
| 285 | Q | 64.9 | Low | 74.3 | Confident | 122 Ų | 122 | 80.2 Ų | 80.2 | 57% | 0.57 | 46% | 0.459 | S | S | * | . | trans | -70.5 | 116.5 | -179.1 | -75.4 | -171.6 | -19.2 | 0 | 0 | 109.4 | K283 N287 | K283-Q285 PolarHBondContact O-N 2.94Å; K283-Q285 VanDerWaalsContact O-N 3.12Å; Q285-N287 PolarHBondContact O-N 2.97Å | ||
| 286 | K | 59.9 | Low | 74 | Confident | 176 Ų | 176 | 81.7 Ų | 81.7 | 77% | 0.765 | 47% | 0.472 | S | S | * | . | trans | -74.5 | 121 | 167.3 | -71 | -166.6 | 175.7 | -170.5 | 0 | 108.7 | K284 G288 S289 | K284-K286 PolarHBondContact O-N 2.82Å; K286-G288 PolarHBondContact O-N 2.99Å; K286-S289 PolarHBondContact O-N 3.18Å; K286-S289 PolarHBondContact O-OG 3.39Å | ||
| 287 | N | 49.9 | Very low | 73.8 | Confident | 169 Ų | 169 | 81.8 Ų | 81.8 | 90% | 0.904 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.7 | 121.5 | 177.9 | -67 | -5.5 | 0 | 0 | 0 | 110.9 | Q285 | Q285-N287 PolarHBondContact O-N 2.97Š|
| 288 | G | 60.2 | Low | 73.7 | Confident | 92 Ų | 92 | 81.7 Ų | 81.7 | 95% | 0.948 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.4 | -0.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | K286 | K286-G288 PolarHBondContact O-N 2.99Š|
| 289 | S | 54.8 | Low | 73.9 | Confident | 79 Ų | 79 | 79.6 Ų | 79.6 | 55% | 0.552 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -100.5 | 149.5 | 171.8 | 61.5 | 0 | 0 | 0 | 0 | 112.9 | K286 | K286-S289 PolarHBondContact O-N 3.18Å; K286-S289 PolarHBondContact O-OG 3.39Å |
| 290 | S | 51.2 | Low | 74.1 | Confident | 93 Ų | 93 | 78.1 Ų | 78.1 | 65% | 0.65 | 45% | 0.452 | S | S | * | . | trans | -49.3 | 143.3 | -162 | 62.2 | 0 | 0 | 0 | 0 | 116.4 | K292 | S290-K292 PolarHBondContact O-N 2.9Š| ||
| 291 | A | 49.3 | Very low | 74.3 | Confident | 104 Ų | 104 | 78 Ų | 78 | 86% | 0.86 | 45% | 0.451 | S | S | * | . | trans | -68.7 | 39.2 | 180 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 292 | K | 53.1 | Low | 74.5 | Confident | 166 Ų | 166 | 78 Ų | 78 | 72% | 0.722 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -79.7 | 130.3 | 163.5 | -71.4 | -173.8 | 174.6 | -177.1 | 0 | 108.5 | S290 S294 | S290-K292 PolarHBondContact O-N 2.9Å; K292-S294 PolarHBondContact O-N 3.25Å |
| 293 | P | 57.7 | Low | 74.9 | Confident | 120 Ų | 120 | 75.3 Ų | 75.3 | 78% | 0.779 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -61 | 131.7 | 172.6 | 26.1 | -33.1 | 0 | 0 | 0 | 109 | C295 | P293-C295 PolarHBondContact O-N 3Š|
| 294 | S | 68.4 | Low | 75.7 | Confident | 41 Ų | 41 | 68.1 Ų | 68.1 | 29% | 0.287 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 125.5 | 175.5 | 55.1 | 0 | 0 | 0 | 0 | 109.3 | K292 | K292-S294 PolarHBondContact O-N 3.25Š|
| 295 | C | 80.4 | Confident | 76.9 | Confident | 92 Ų | 92 | 68.9 Ų | 68.9 | 62% | 0.622 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 137.9 | 171.5 | 47.2 | 0 | 0 | 0 | 0 | 110.5 | P293 | P293-C295 PolarHBondContact O-N 3Š|
| 296 | P | 91.4 | Very high | 78.4 | Confident | 70 Ų | 70 | 63.9 Ų | 63.9 | 46% | 0.455 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 153.6 | 171 | 30.3 | -34.2 | 0 | 0 | 0 | 110.5 | I280 F281 L366 I374 | I280-P296 HydrophobicContact CG2-CB 3.67Å; F281-P296 CarbonylContact O-C 3.59Å; F281-P296 VanDerWaalsContact O-CA 3.29Å; F281-P296 WeakPolarHBondContact O-CA 3.22Å; P296-L366 HydrophobicContact CB-CD1 4.17Å; P296-I374 HydrophobicContact CB-CD1 4.3Å; P296-I374 HydrophobicContact CG-CD1 4.16Å |
| 297 | Y | 93.8 | Very high | 80.2 | Confident | 17 Ų | 17 | 59.3 Ų | 59.3 | 7% | 0.067 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 160.2 | 176.5 | 57.2 | -93 | 0 | 0 | 0 | 111.6 | F281 K283 L313 T314 C315 L362 | F281-Y297 HydrophobicContact CB-CD2 4.02Å; F281-Y297 HydrophobicContact CB-CE1 4.46Å; F281-Y297 HydrophobicContact CB-CE2 3.51Å; F281-Y297 HydrophobicContact CG-CE2 4.42Å; F281-Y297 PolarHBondContact N-O 3.35Å; F281-Y297 PolarHBondContact O-N 2.96Å; K283-Y297 HydrophobicContact CB-CE1 4.25Å; Y297-L313 HydrophobicContact CD2-CB 4.23Å; Y297-L313 HydrophobicContact CD2-CD2 4.32Å; Y297-L313 HydrophobicContact CE2-CB 4.49Å; Y297-L313 HydrophobicContact CE2-CD1 3.99Å; Y297-L313 HydrophobicContact CE2-CD2 4.13Å; Y297-L313 HydrophobicContact CE2-CG 4.44Å; Y297-T314 WeakPolarHBondContact CB-OG1 3.19Å; Y297-C315 HydrophobicContact CD1-CB 3.98Å; Y297-C315 VanDerWaalsContact CD2-SG 3.59Å; Y297-C315 HydrophobicContact CG-CB 3.86Å; Y297-L362 WeakPolarHBondContact CE2-O 3.41Å; Y297-L362 PolarHBondContact OH-O 2.77Å |
| 298 | C | 96.3 | Very high | 82.4 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 149.3 | -178.9 | -71.2 | 0 | 0 | 0 | 0 | 111 | P232 D233 F276 L313 T314 | P232-C298 HydrophobicContact CG-CB 4.36Å; P232-C298 VanDerWaalsContact CG-SG 3.54Å; D233-C298 PolarHBondContact OD2-SG 2.79Å; F276-C298 HydrophobicContact CD1-CB 4.07Å; F276-C298 HydrophobicContact CE1-CB 4.15Å; C298-L313 WeakPolarHBondContact O-CA 3.31Å; C298-T314 HydrophobicContact CB-CG2 4.06Å; C298-T314 PolarHBondContact N-OG1 3.14Å; C298-T314 PolarHBondContact O-N 2.88Å |
| 299 | C | 97.3 | Very high | 84.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 139.8 | 172 | -177.9 | 0 | 0 | 0 | 0 | 110.3 | F276 N277 F281 W312 L313 W336 | F276-C299 WeakPolarHBondContact CA-O 3.3Å; F276-C299 WeakPolarHBondContact CD1-O 3.38Å; N277-C299 HydrophobicContact CB-CB 3.82Å; N277-C299 WeakPolarHBondContact CB-O 3.48Å; N277-C299 PolarHBondContact N-O 3.46Å; F281-C299 HydrophobicContact CD2-CB 4.23Å; F281-C299 HydrophobicContact CE2-CB 4.03Å; C299-W312 CarbonylContact C-O 3.53Å; C299-W312 WeakPolarHBondContact CA-O 3.38Å; C299-L313 HydrophobicContact CB-CD2 3.58Å; C299-W336 VanDerWaalsContact SG-CH2 3.53Å |
| 300 | C | 97.9 | Very high | 86.3 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 133.6 | -178.7 | -162.6 | 0 | 0 | 0 | 0 | 111.9 | F264 V274 F276 V311 W312 | F264-C300 HydrophobicContact CE2-CB 4.28Å; F264-C300 HydrophobicContact CZ-CB 4.41Å; V274-C300 WeakPolarHBondContact CG1-SG 3.45Å; F276-C300 HydrophobicContact CD1-CB 3.59Å; F276-C300 HydrophobicContact CD2-CB 4.45Å; F276-C300 VanDerWaalsContact CD2-SG 3.59Å; F276-C300 HydrophobicContact CE1-CB 3.63Å; F276-C300 HydrophobicContact CG-CB 4.03Å; F276-C300 HydrophobicContact CZ-CB 4.11Å; C300-V311 CarbonylContact O-C 3.59Å; C300-V311 WeakPolarHBondContact O-CA 3.45Å; C300-W312 PolarHBondContact N-O 2.92Å; C300-W312 PolarHBondContact O-N 2.75Å |
| 301 | A | 98.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 139.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | V274 K275 S310 V311 I334 W336 I343 | V274-A301 WeakPolarHBondContact CA-O 3.46Å; K275-A301 PolarHBondContact N-O 2.83Å; K275-A301 PolarHBondContact O-N 2.96Å; A301-S310 CarbonylContact C-O 3.55Å; A301-S310 WeakPolarHBondContact CA-O 3.35Å; A301-V311 HydrophobicContact CB-CG2 4.25Å; A301-I334 HydrophobicContact CB-CD1 4.08Å; A301-I334 HydrophobicContact CB-CG2 4.38Å; A301-W336 HydrophobicContact CB-CZ2 3.7Å; A301-I343 HydrophobicContact CB-CD1 3.38Å |
| 302 | V | 98.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 122.7 | -176.5 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | A250 F264 V271 V273 V274 L309 S310 | A250-V302 HydrophobicContact CB-CG1 4.32Å; F264-V302 HydrophobicContact CD2-CG2 3.96Å; V271-V302 HydrophobicContact CB-CG1 4.32Å; V271-V302 HydrophobicContact CG1-CG1 3.56Å; V271-V302 HydrophobicContact CG2-CG1 3.76Å; V273-V302 WeakPolarHBondContact O-CA 3.36Å; V274-V302 HydrophobicContact CG1-CG2 4.3Å; V274-V302 HydrophobicContact CG2-CG1 4.34Å; V274-V302 HydrophobicContact CG2-CG2 4.36Å; V302-L309 CarbonylContact O-C 3.53Å; V302-L309 WeakPolarHBondContact O-CA 3.42Å; V302-S310 PolarHBondContact N-O 3.39Å; V302-S310 PolarHBondContact O-N 3.02Å |
| 303 | G | 98.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 143.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T272 V273 | T272-G303 PolarHBondContact N-O 3.11Å; T272-G303 PolarHBondContact OG1-O 2.79Å; V273-G303 PolarHBondContact N-O 3Å; V273-G303 PolarHBondContact O-N 3.09Å |
| 304 | S | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 158.7 | -173.7 | 171.6 | 0 | 0 | 0 | 0 | 114.5 | H267 K269 A270 D306 R307 S308 | H267-S304 VanDerWaalsContact ND1-CB 3.3Å; H267-S304 WeakPolarHBondContact ND1-CB 3.14Å; K269-S304 PolarHBondContact O-OG 2.95Å; A270-S304 PolarHBondContact O-OG 2.79Å; A270-S304 VanDerWaalsContact O-OG 3.09Å; S304-D306 VanDerWaalsContact CB-OD1 3.27Å; S304-D306 WeakPolarHBondContact CB-OD1 3.47Å; S304-D306 PolarHBondContact O-N 3.25Å; S304-D306 VanDerWaalsContact OG-CG 3.26Å; S304-D306 PolarHBondContact OG-N 2.95Å; S304-D306 VanDerWaalsContact OG-N 3.07Å; S304-D306 PolarHBondContact OG-OD1 2.79Å; S304-R307 PolarHBondContact O-N 3.48Å; S304-S308 PolarHBondContact N-O 2.89Å |
| 305 | K | 97 | Very high | 95.5 | Very high | 105 Ų | 105 | 26 Ų | 26 | 46% | 0.457 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -9.5 | 167 | -167.7 | 172.2 | -178.6 | 178.3 | 0 | 113.4 | K269 A270 T272 S330 | K269-K305 HydrophobicContact CB-CB 4.16Å; A270-K305 WeakPolarHBondContact O-CB 3.47Å; A270-K305 PolarHBondContact O-N 3.04Å; T272-K305 HydrophobicContact CG2-CB 4.33Å; K305-S330 WeakPolarHBondContact CA-OG 3.48Å |
| 306 | D | 95.8 | Very high | 96 | Very high | 17 Ų | 17 | 25.5 Ų | 25.5 | 9% | 0.091 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 1.1 | 168.5 | 72 | 13 | 0 | 0 | 0 | 114.3 | H267 R268 K269 S304 S308 | H267-D306 VanDerWaalsContact CA-OD2 3.29Å; H267-D306 WeakPolarHBondContact CA-OD2 3.35Å; H267-D306 WeakPolarHBondContact CB-OD2 3.45Å; H267-D306 IonicContact CG-OD2 3.79Å; H267-D306 IonicContact ND1-OD1 2.95Å; H267-D306 PolarHBondContact ND1-OD1 3.11Å; H267-D306 IonicContact ND1-OD2 3.17Å; H267-D306 PolarHBondContact ND1-OD2 2.9Å; R268-D306 HydrophobicContact CB-CB 4.1Å; R268-D306 PolarHBondContact N-OD2 3.47Å; K269-D306 HydrophobicContact CB-CB 3.94Å; K269-D306 HydrophobicContact CD-CB 4.27Å; K269-D306 HydrophobicContact CG-CB 3.98Å; S304-D306 VanDerWaalsContact CB-OD1 3.27Å; S304-D306 WeakPolarHBondContact CB-OD1 3.47Å; S304-D306 PolarHBondContact O-N 3.25Å; S304-D306 VanDerWaalsContact OG-CG 3.26Å; S304-D306 PolarHBondContact OG-N 2.95Å; S304-D306 VanDerWaalsContact OG-N 3.07Å; S304-D306 PolarHBondContact OG-OD1 2.79Å; D306-S308 VanDerWaalsContact C-N 3.25Å; D306-S308 PolarHBondContact O-N 3.4Å; D306-S308 WeakPolarHBondContact OD1-CA 3.3Å; D306-S308 VanDerWaalsContact OD1-CB 3.29Å; D306-S308 WeakPolarHBondContact OD1-CB 3.27Å; D306-S308 PolarHBondContact OD1-N 3.33Å; D306-S308 PolarHBondContact OD1-OG 3.11Å; D306-S308 PolarHBondContact OD2-OG 3.01Å |
| 307 | R | 97 | Very high | 95.9 | Very high | 80 Ų | 80 | 32.2 Ų | 32.2 | 30% | 0.302 | 16% | 0.155 | S | C | . | . | S | Bend | trans | 72.5 | 13.9 | 178.3 | -38.6 | -177.9 | -73.2 | -172.4 | 2.3 | 114 | S304 E325 L326 F327 D328 K329 | S304-R307 PolarHBondContact O-N 3.48Å; R307-E325 IonicContact CZ-OE1 3.87Å; R307-E325 IonicContact NE-OE1 2.83Å; R307-E325 IonicContact NH2-OE1 3.27Å; R307-E325 PolarHBondContact NH2-OE1 3.28Å; R307-E325 WeakPolarHBondContact O-CA 3.29Å; R307-E325 PolarHBondContact O-N 3.25Å; R307-L326 PolarHBondContact O-N 2.96Å; R307-F327 WeakPolarHBondContact CB-O 3.23Å; R307-F327 WeakPolarHBondContact CD-O 3.37Å; R307-D328 VanDerWaalsContact CD-C 3.44Å; R307-D328 WeakPolarHBondContact CD-O 3.22Å; R307-D328 PolarHBondContact NH1-O 2.79Å; R307-K329 WeakPolarHBondContact CG-O 3.47Å |
| 308 | S | 96.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.007 | 19% | 0.188 | C | C | . | . | trans | -108.8 | 149.6 | 176.1 | 72.3 | 0 | 0 | 0 | 0 | 113.1 | H267 S304 D306 I323 H324 I331 | H267-S308 PolarHBondContact CE1-O 3.5Å; H267-S308 PolarHBondContact CE1-OG 3.36Å; H267-S308 VanDerWaalsContact CE1-OG 3.29Å; H267-S308 PolarHBondContact ND1-OG 3.25Å; S304-S308 PolarHBondContact N-O 2.89Å; D306-S308 VanDerWaalsContact C-N 3.25Å; D306-S308 PolarHBondContact O-N 3.4Å; D306-S308 WeakPolarHBondContact OD1-CA 3.3Å; D306-S308 VanDerWaalsContact OD1-CB 3.29Å; D306-S308 WeakPolarHBondContact OD1-CB 3.27Å; D306-S308 PolarHBondContact OD1-N 3.33Å; D306-S308 PolarHBondContact OD1-OG 3.11Å; D306-S308 PolarHBondContact OD2-OG 3.01Å; S308-I323 CarbonylContact C-O 3.6Å; S308-I323 WeakPolarHBondContact CA-O 3.38Å; S308-I323 WeakPolarHBondContact CB-O 3.45Å; S308-H324 WeakPolarHBondContact CB-ND1 3.47Å; S308-I331 WeakPolarHBondContact O-CD1 3.46Å | ||
| 309 | L | 98.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 135.1 | 173.7 | -176.1 | 79.2 | 0 | 0 | 0 | 108.4 | V302 V311 V322 I323 L326 I331 I334 V345 L355 | V302-L309 CarbonylContact O-C 3.53Å; V302-L309 WeakPolarHBondContact O-CA 3.42Å; L309-V311 HydrophobicContact CD2-CG2 4.49Å; L309-V322 CarbonylContact O-C 3.56Å; L309-V322 WeakPolarHBondContact O-CA 3.36Å; L309-I323 PolarHBondContact N-O 2.91Å; L309-I323 PolarHBondContact O-N 3.01Å; L309-L326 HydrophobicContact CB-CD2 3.87Å; L309-L326 HydrophobicContact CD2-CD2 4.11Å; L309-I331 HydrophobicContact CB-CD1 3.9Å; L309-I331 HydrophobicContact CD1-CD1 4.2Å; L309-I334 HydrophobicContact CD1-CD1 3.63Å; L309-I334 HydrophobicContact CD1-CG1 4.42Å; L309-V345 HydrophobicContact CD1-CG1 4.48Å; L309-V345 HydrophobicContact CD1-CG2 4.24Å; L309-V345 HydrophobicContact CD2-CG2 4.11Å; L309-L355 HydrophobicContact CD2-CD2 3.4Å; L309-L355 VanDerWaalsContact CD2-CD2 3.4Å |
| 310 | S | 98.1 | Very high | 95.8 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 3% | 0.028 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 144.8 | 167.8 | 63.1 | 0 | 0 | 0 | 0 | 111.2 | H267 A301 V302 W312 V321 | H267-S310 PolarHBondContact NE2-OG 2.93Å; A301-S310 CarbonylContact C-O 3.55Å; A301-S310 WeakPolarHBondContact CA-O 3.35Å; V302-S310 PolarHBondContact N-O 3.39Å; V302-S310 PolarHBondContact O-N 3.02Å; S310-W312 PolarHBondContact OG-NE1 2.74Å; S310-V321 CarbonylContact C-O 3.53Å; S310-V321 WeakPolarHBondContact CA-O 3.43Å |
| 311 | V | 98.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 129.4 | 178.5 | -179.2 | 0 | 0 | 0 | 0 | 108.6 | C300 A301 L309 P319 L320 V321 W336 F357 | C300-V311 CarbonylContact O-C 3.59Å; C300-V311 WeakPolarHBondContact O-CA 3.45Å; A301-V311 HydrophobicContact CB-CG2 4.25Å; L309-V311 HydrophobicContact CD2-CG2 4.49Å; V311-P319 CarbonylContact O-C 3.55Å; V311-P319 WeakPolarHBondContact O-CA 3.47Å; V311-P319 WeakPolarHBondContact O-CB 3.49Å; V311-L320 PolarHBondContact O-N 3.1Å; V311-V321 HydrophobicContact CB-CB 4.46Å; V311-V321 PolarHBondContact N-O 2.87Å; V311-V321 PolarHBondContact O-N 3.4Å; V311-W336 HydrophobicContact CG1-CH2 4.23Å; V311-F357 HydrophobicContact CG1-CZ 4.39Å; V311-F357 HydrophobicContact CG2-CZ 4.15Å |
| 312 | W | 97.6 | Very high | 95.6 | Very high | 24 Ų | 24 | 50.4 Ų | 50.4 | 9% | 0.091 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 148.5 | -171 | -60.3 | 77.9 | 0 | 0 | 0 | 110.5 | F264 V265 C299 C300 S310 P319 | F264-W312 HydrophobicContact CB-CD2 4.39Å; F264-W312 HydrophobicContact CB-CH2 4.37Å; F264-W312 HydrophobicContact CB-CZ2 3.89Å; F264-W312 HydrophobicContact CD1-CB 4.27Å; F264-W312 AromaticContact CD1-CD2 3.39Å; F264-W312 HydrophobicContact CD1-CD2 3.39Å; F264-W312 AromaticContact CD1-CE2 3.8Å; F264-W312 AromaticContact CD1-CE3 3.47Å; F264-W312 HydrophobicContact CD1-CE3 3.47Å; F264-W312 VanDerWaalsContact CD1-CE3 3.47Å; F264-W312 AromaticContact CD1-CG 3.77Å; F264-W312 HydrophobicContact CD1-CG 3.77Å; F264-W312 HydrophobicContact CD1-CH2 4.27Å; F264-W312 HydrophobicContact CD1-CZ2 4.24Å; F264-W312 AromaticContact CD1-CZ3 3.91Å; F264-W312 HydrophobicContact CD1-CZ3 3.91Å; F264-W312 HydrophobicContact CE1-CB 3.78Å; F264-W312 AromaticContact CE1-CD2 3.8Å; F264-W312 HydrophobicContact CE1-CD2 3.8Å; F264-W312 AromaticContact CE1-CE3 3.82Å; F264-W312 HydrophobicContact CE1-CE3 3.82Å; F264-W312 AromaticContact CE1-CG 3.81Å; F264-W312 HydrophobicContact CE1-CG 3.81Å; F264-W312 HydrophobicContact CG-CD2 4.04Å; F264-W312 HydrophobicContact CG-CE3 4.46Å; F264-W312 HydrophobicContact CG-CG 4.26Å; F264-W312 HydrophobicContact CG-CZ2 4.44Å; F264-W312 HydrophobicContact CZ-CB 4.07Å; F264-W312 HydrophobicContact CZ-CG 4.33Å; V265-W312 WeakPolarHBondContact O-CH2 3.39Å; C299-W312 CarbonylContact C-O 3.53Å; C299-W312 WeakPolarHBondContact CA-O 3.38Å; C300-W312 PolarHBondContact N-O 2.92Å; C300-W312 PolarHBondContact O-N 2.75Å; S310-W312 PolarHBondContact OG-NE1 2.74Å; W312-P319 HydrophobicContact CD2-CB 3.9Å; W312-P319 HydrophobicContact CE3-CB 4.24Å; W312-P319 HydrophobicContact CG-CB 4.34Å; W312-P319 HydrophobicContact CH2-CG 4.32Å; W312-P319 HydrophobicContact CZ2-CB 4.17Å; W312-P319 HydrophobicContact CZ2-CG 4.22Å |
| 313 | L | 95.1 | Very high | 95.6 | Very high | 9 Ų | 9 | 52 Ų | 52 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 133.7 | 168.5 | -58.5 | -179.4 | 0 | 0 | 0 | 108.1 | Y297 C298 C299 C315 L316 L320 L362 | Y297-L313 HydrophobicContact CD2-CB 4.23Å; Y297-L313 HydrophobicContact CD2-CD2 4.32Å; Y297-L313 HydrophobicContact CE2-CB 4.49Å; Y297-L313 HydrophobicContact CE2-CD1 3.99Å; Y297-L313 HydrophobicContact CE2-CD2 4.13Å; Y297-L313 HydrophobicContact CE2-CG 4.44Å; C298-L313 WeakPolarHBondContact O-CA 3.31Å; C299-L313 HydrophobicContact CB-CD2 3.58Å; L313-C315 PolarHBondContact O-N 2.68Å; L313-L316 HydrophobicContact CB-CD1 4.13Å; L313-L316 HydrophobicContact CB-CG 4.1Å; L313-L316 HydrophobicContact CD1-CD1 3.96Å; L313-L316 HydrophobicContact CD1-CG 4.47Å; L313-L316 HydrophobicContact CG-CD1 4.28Å; L313-L316 PolarHBondContact O-N 2.92Å; L313-L320 HydrophobicContact CD1-CD1 4.23Å; L313-L320 HydrophobicContact CD1-CD2 4.17Å; L313-L320 HydrophobicContact CG-CB 4.45Å; L313-L320 HydrophobicContact CG-CD2 4.3Å; L313-L362 HydrophobicContact CD2-CD2 4.11Å |
| 314 | T | 92.3 | Very high | 95.5 | Very high | 60 Ų | 60 | 57 Ų | 57 | 37% | 0.368 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -11.5 | -177.3 | 59.4 | 0 | 0 | 0 | 0 | 113.9 | Y297 C298 | Y297-T314 WeakPolarHBondContact CB-OG1 3.19Å; C298-T314 HydrophobicContact CB-CG2 4.06Å; C298-T314 PolarHBondContact N-OG1 3.14Å; C298-T314 PolarHBondContact O-N 2.88Å |
| 315 | C | 89.6 | Confident | 95.3 | Very high | 64 Ų | 64 | 63.1 Ų | 63.1 | 43% | 0.432 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -3.9 | 171.2 | 62.7 | 0 | 0 | 0 | 0 | 114.5 | Y297 L313 | Y297-C315 HydrophobicContact CD1-CB 3.98Å; Y297-C315 VanDerWaalsContact CD2-SG 3.59Å; Y297-C315 HydrophobicContact CG-CB 3.86Å; L313-C315 PolarHBondContact O-N 2.68Å |
| 316 | L | 90.8 | Very high | 95.3 | Very high | 81 Ų | 81 | 58.2 Ų | 58.2 | 42% | 0.424 | 28% | 0.282 | S | S | . | . | trans | -115.9 | 144.9 | -177.9 | -61.4 | -177.9 | 0 | 0 | 0 | 112.1 | L313 R318 L320 | L313-L316 HydrophobicContact CB-CD1 4.13Å; L313-L316 HydrophobicContact CB-CG 4.1Å; L313-L316 HydrophobicContact CD1-CD1 3.96Å; L313-L316 HydrophobicContact CD1-CG 4.47Å; L313-L316 HydrophobicContact CG-CD1 4.28Å; L313-L316 PolarHBondContact O-N 2.92Å; L316-R318 VanDerWaalsContact C-N 3.28Å; L316-R318 WeakPolarHBondContact CB-O 3.32Å; L316-R318 PolarHBondContact O-N 3.05Å; L316-L320 HydrophobicContact CD1-CD1 4.17Å | ||
| 317 | K | 90.3 | Very high | 95.3 | Very high | 212 Ų | 212 | 57.8 Ų | 57.8 | 92% | 0.922 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -85.9 | 8.4 | 174.9 | -63.1 | -169.6 | 176.5 | -171.8 | 0 | 114.2 | ||
| 318 | R | 93.4 | Very high | 95.2 | Very high | 201 Ų | 201 | 60 Ų | 60 | 76% | 0.758 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -149.8 | 156.3 | -175.5 | -72.6 | -169 | 178.1 | -162.1 | -1.3 | 108.6 | L316 | L316-R318 VanDerWaalsContact C-N 3.28Å; L316-R318 WeakPolarHBondContact CB-O 3.32Å; L316-R318 PolarHBondContact O-N 3.05Å |
| 319 | P | 95.9 | Very high | 95.2 | Very high | 42 Ų | 42 | 64.5 Ų | 64.5 | 27% | 0.273 | 32% | 0.317 | S | S | . | . | trans | -60.4 | 144.9 | 170.7 | 26.6 | -33.3 | 0 | 0 | 0 | 110.2 | V311 W312 V322 | V311-P319 CarbonylContact O-C 3.55Å; V311-P319 WeakPolarHBondContact O-CA 3.47Å; V311-P319 WeakPolarHBondContact O-CB 3.49Å; W312-P319 HydrophobicContact CD2-CB 3.9Å; W312-P319 HydrophobicContact CE3-CB 4.24Å; W312-P319 HydrophobicContact CG-CB 4.34Å; W312-P319 HydrophobicContact CH2-CG 4.32Å; W312-P319 HydrophobicContact CZ2-CB 4.17Å; W312-P319 HydrophobicContact CZ2-CG 4.22Å; P319-V322 HydrophobicContact CB-CG2 3.79Å; P319-V322 HydrophobicContact CG-CG2 3.44Å; P319-V322 VanDerWaalsContact CG-CG2 3.44Å | ||
| 320 | L | 95.2 | Very high | 95.2 | Very high | 58 Ų | 58 | 65.1 Ų | 65.1 | 30% | 0.304 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -67.9 | -41.5 | 170.6 | -177.3 | 71 | 0 | 0 | 0 | 110.4 | V311 L313 L316 F357 L362 | V311-L320 PolarHBondContact O-N 3.1Å; L313-L320 HydrophobicContact CD1-CD1 4.23Å; L313-L320 HydrophobicContact CD1-CD2 4.17Å; L313-L320 HydrophobicContact CG-CB 4.45Å; L313-L320 HydrophobicContact CG-CD2 4.3Å; L316-L320 HydrophobicContact CD1-CD1 4.17Å; L320-F357 HydrophobicContact CD2-CE1 4.49Å; L320-L362 HydrophobicContact CD2-CD2 3.71Å |
| 321 | V | 95.8 | Very high | 95.2 | Very high | 34 Ų | 34 | 64.9 Ų | 64.9 | 21% | 0.206 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 143.4 | 179.3 | 172.8 | 0 | 0 | 0 | 0 | 109.8 | M1 S310 V311 I323 F357 | M1-V321 HydrophobicContact CE-CG1 4.12Å; M1-V321 HydrophobicContact SD-CB 4.5Å; M1-V321 HydrophobicContact SD-CG1 3.94Å; M1-V321 HydrophobicContact SD-CG2 3.87Å; S310-V321 CarbonylContact C-O 3.53Å; S310-V321 WeakPolarHBondContact CA-O 3.43Å; V311-V321 HydrophobicContact CB-CB 4.46Å; V311-V321 PolarHBondContact N-O 2.87Å; V311-V321 PolarHBondContact O-N 3.4Å; V321-I323 HydrophobicContact CG1-CD1 4.31Å; V321-I323 HydrophobicContact CG1-CG1 3.89Å; V321-F357 HydrophobicContact CG2-CE1 3.99Å |
| 322 | V | 97.1 | Very high | 95.2 | Very high | 65 Ų | 65 | 64.9 Ų | 64.9 | 39% | 0.394 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 125.4 | 162.5 | -174.2 | 0 | 0 | 0 | 0 | 108.1 | L309 P319 | L309-V322 CarbonylContact O-C 3.56Å; L309-V322 WeakPolarHBondContact O-CA 3.36Å; P319-V322 HydrophobicContact CB-CG2 3.79Å; P319-V322 HydrophobicContact CG-CG2 3.44Å; P319-V322 VanDerWaalsContact CG-CG2 3.44Å |
| 323 | I | 97.4 | Very high | 95.2 | Very high | 33 Ų | 33 | 63.8 Ų | 63.8 | 17% | 0.169 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 112.3 | 172 | -60.2 | 168 | 0 | 0 | 0 | 107.4 | M1 L3 S308 L309 V321 L326 L355 | M1-I323 HydrophobicContact CE-CD1 3.73Å; L3-I323 HydrophobicContact CD2-CD1 4.42Å; S308-I323 CarbonylContact C-O 3.6Å; S308-I323 WeakPolarHBondContact CA-O 3.38Å; S308-I323 WeakPolarHBondContact CB-O 3.45Å; L309-I323 PolarHBondContact N-O 2.91Å; L309-I323 PolarHBondContact O-N 3.01Å; V321-I323 HydrophobicContact CG1-CD1 4.31Å; V321-I323 HydrophobicContact CG1-CG1 3.89Å; I323-L326 HydrophobicContact CG2-CB 4.03Å; I323-L326 HydrophobicContact CG2-CD1 4.11Å; I323-L355 HydrophobicContact CD1-CD2 4.09Å |
| 324 | H | 96.5 | Very high | 95.4 | Very high | 106 Ų | 106 | 63.3 Ų | 63.3 | 49% | 0.491 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -82.7 | 147.9 | 170.7 | -63 | -54 | 0 | 0 | 0 | 111.1 | S308 L326 | S308-H324 WeakPolarHBondContact CB-ND1 3.47Å; H324-L326 VanDerWaalsContact C-N 3.26Å; H324-L326 PolarHBondContact O-N 3.08Å |
| 325 | E | 94.1 | Very high | 95.7 | Very high | 127 Ų | 127 | 60.9 Ų | 60.9 | 59% | 0.593 | 30% | 0.299 | S | S | * | . | trans | 52.6 | 43.2 | 175.9 | -46.4 | -154.8 | 120.9 | 0 | 0 | 113.2 | R307 F327 | R307-E325 IonicContact CZ-OE1 3.87Å; R307-E325 IonicContact NE-OE1 2.83Å; R307-E325 IonicContact NH2-OE1 3.27Å; R307-E325 PolarHBondContact NH2-OE1 3.28Å; R307-E325 WeakPolarHBondContact O-CA 3.29Å; R307-E325 PolarHBondContact O-N 3.25Å; E325-F327 PolarHBondContact O-N 3.47Å | ||
| 326 | L | 96.4 | Very high | 96.1 | Very high | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -61.6 | -23.7 | 174.4 | -179.1 | 60.8 | 0 | 0 | 0 | 111.6 | L3 K5 R307 L309 I323 H324 I331 A353 | L3-L326 HydrophobicContact CD1-CD1 3.81Å; L3-L326 HydrophobicContact CD2-CD1 4.06Å; K5-L326 WeakPolarHBondContact CE-O 3.32Å; K5-L326 PolarHBondContact NZ-O 3.21Å; R307-L326 PolarHBondContact O-N 2.96Å; L309-L326 HydrophobicContact CB-CD2 3.87Å; L309-L326 HydrophobicContact CD2-CD2 4.11Å; I323-L326 HydrophobicContact CG2-CB 4.03Å; I323-L326 HydrophobicContact CG2-CD1 4.11Å; H324-L326 VanDerWaalsContact C-N 3.26Å; H324-L326 PolarHBondContact O-N 3.08Å; L326-I331 HydrophobicContact CD2-CD1 4.38Å; L326-A353 HydrophobicContact CD1-CB 3.98Å; L326-A353 HydrophobicContact CG-CB 4.35Å |
| 327 | F | 96.4 | Very high | 96.2 | Very high | 7 Ų | 7 | 55.5 Ų | 55.5 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -144.4 | 163.7 | -174.5 | -71.7 | -70.7 | 0 | 0 | 0 | 111.5 | R307 E325 K329 I331 V345 D349 S351 A353 | R307-F327 WeakPolarHBondContact CB-O 3.23Å; R307-F327 WeakPolarHBondContact CD-O 3.37Å; E325-F327 PolarHBondContact O-N 3.47Å; F327-K329 WeakPolarHBondContact CB-O 3.35Å; F327-I331 HydrophobicContact CD2-CD1 4.34Å; F327-I331 HydrophobicContact CD2-CG1 3.67Å; F327-I331 HydrophobicContact CE2-CG1 4.07Å; F327-V345 HydrophobicContact CE2-CB 4.14Å; F327-V345 HydrophobicContact CE2-CG1 3.75Å; F327-V345 HydrophobicContact CZ-CB 4.37Å; F327-V345 HydrophobicContact CZ-CG1 4.37Å; F327-V345 WeakPolarHBondContact CZ-O 3.43Å; F327-D349 WeakPolarHBondContact CB-OD2 3.37Å; F327-S351 WeakPolarHBondContact CD1-OG 3.39Å; F327-S351 WeakPolarHBondContact CE1-OG 3.19Å; F327-A353 HydrophobicContact CE1-CB 4.14Å; F327-A353 HydrophobicContact CE2-CB 4.29Å; F327-A353 HydrophobicContact CZ-CB 3.58Å |
| 328 | D | 95.3 | Very high | 96.1 | Very high | 128 Ų | 128 | 49.7 Ų | 49.7 | 68% | 0.684 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -78.4 | -27.6 | 176.2 | -76 | -39.9 | 0 | 0 | 0 | 112.1 | R307 D349 | R307-D328 VanDerWaalsContact CD-C 3.44Å; R307-D328 WeakPolarHBondContact CD-O 3.22Å; R307-D328 PolarHBondContact NH1-O 2.79Å; D328-D349 HydrophobicContact CB-CB 4.25Å; D328-D349 PolarHBondContact N-OD2 2.85Å |
| 329 | K | 96.7 | Very high | 95.8 | Very high | 94 Ų | 94 | 44.7 Ų | 44.7 | 41% | 0.409 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -124.7 | -173.1 | 177 | -61.2 | -174.6 | -149 | 158 | 0 | 112 | R307 F327 S347 M348 D349 | R307-K329 WeakPolarHBondContact CG-O 3.47Å; F327-K329 WeakPolarHBondContact CB-O 3.35Å; K329-S347 PolarHBondContact O-OG 3.21Å; K329-M348 HydrophobicContact CB-CB 4.06Å; K329-M348 HydrophobicContact CD-CB 4.43Å; K329-M348 HydrophobicContact CD-CG 4.24Å; K329-M348 WeakPolarHBondContact CD-O 3.37Å; K329-M348 PolarHBondContact NZ-O 2.85Å; K329-D349 HydrophobicContact CB-CB 4.14Å; K329-D349 HydrophobicContact CD-CB 4.16Å; K329-D349 HydrophobicContact CG-CB 4Å; K329-D349 PolarHBondContact N-OD2 3.41Å; K329-D349 VanDerWaalsContact N-OD2 3.12Å |
| 330 | S | 97 | Very high | 95.7 | Very high | 14 Ų | 14 | 42.7 Ų | 42.7 | 10% | 0.098 | 22% | 0.219 | C | C | . | . | trans | -58.4 | 135.2 | -179 | -170.2 | 0 | 0 | 0 | 0 | 111.7 | K305 S347 M348 | K305-S330 WeakPolarHBondContact CA-OG 3.48Å; S330-S347 WeakPolarHBondContact O-CA 3.4Å; S330-S347 PolarHBondContact O-OG 2.8Å; S330-M348 PolarHBondContact O-N 2.89Å | ||
| 331 | I | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 138.1 | 158.8 | -64.9 | 173 | 0 | 0 | 0 | 107.8 | T272 V273 S308 L309 L326 F327 I334 V345 | T272-I331 WeakPolarHBondContact CB-O 3.35Å; T272-I331 PolarHBondContact OG1-O 3.02Å; V273-I331 HydrophobicContact CG1-CG2 3.68Å; S308-I331 WeakPolarHBondContact O-CD1 3.46Å; L309-I331 HydrophobicContact CB-CD1 3.9Å; L309-I331 HydrophobicContact CD1-CD1 4.2Å; L326-I331 HydrophobicContact CD2-CD1 4.38Å; F327-I331 HydrophobicContact CD2-CD1 4.34Å; F327-I331 HydrophobicContact CD2-CG1 3.67Å; F327-I331 HydrophobicContact CE2-CG1 4.07Å; I331-I334 HydrophobicContact CG2-CG1 4.49Å; I331-V345 HydrophobicContact CB-CG1 4.46Å; I331-V345 HydrophobicContact CD1-CG1 4.19Å; I331-V345 HydrophobicContact CG1-CG1 4.16Å; I331-V345 HydrophobicContact CG2-CG1 3.53Å |
| 332 | M | 98 | Very high | 95.6 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | -43.2 | -176.7 | -70.9 | -56 | -49.2 | 0 | 0 | 112.5 | F17 H224 V225 C346 M348 | F17-M332 HydrophobicContact CD1-CE 3.98Å; F17-M332 HydrophobicContact CD1-CG 4.42Å; H224-M332 HydrophobicContact CB-CE 4.05Å; V225-M332 HydrophobicContact CB-CE 4.36Å; V225-M332 HydrophobicContact CG1-CE 3.77Å; V225-M332 HydrophobicContact CG2-CE 3.69Å; V225-M332 WeakPolarHBondContact CG2-O 3.41Å; M332-C346 PolarHBondContact N-O 2.83Å; M332-M348 HydrophobicContact CG-CB 3.9Å; M332-M348 HydrophobicContact SD-CB 4.13Å; M332-M348 HydrophobicContact SD-CE 3.78Å |
| 333 | D | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 160.3 | -174.2 | -157.9 | 19.8 | 0 | 0 | 0 | 111.6 | S18 V19 R77 C346 | S18-D333 VanDerWaalsContact CA-OD2 3.26Å; S18-D333 WeakPolarHBondContact CA-OD2 3.46Å; S18-D333 VanDerWaalsContact CB-OD2 3.31Å; S18-D333 WeakPolarHBondContact CB-OD2 3.48Å; S18-D333 PolarHBondContact OG-OD2 2.95Å; V19-D333 HydrophobicContact CG1-CB 4.38Å; V19-D333 PolarHBondContact N-OD2 2.61Å; R77-D333 IonicContact CZ-OD1 3.36Å; R77-D333 IonicContact CZ-OD2 2.71Å; R77-D333 VanDerWaalsContact CZ-OD2 3.24Å; R77-D333 IonicContact NH1-OD1 2.63Å; R77-D333 IonicContact NH1-OD2 3.62Å; R77-D333 PolarHBondContact NH1-OD2 2.98Å; R77-D333 VanDerWaalsContact NH2-CG 3.25Å; R77-D333 IonicContact NH2-OD1 2.7Å; R77-D333 PolarHBondContact NH2-OD1 3.19Å; R77-D333 IonicContact NH2-OD2 3.75Å; R77-D333 PolarHBondContact NH2-OD2 2.83Å; D333-C346 PolarHBondContact O-N 2.86Å; D333-C346 VanDerWaalsContact O-N 3.09Å |
| 334 | I | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 141.1 | -175.5 | -68.7 | 173.5 | 0 | 0 | 0 | 108.4 | V273 K275 A301 L309 I331 I343 L344 V345 | V273-I334 HydrophobicContact CG1-CD1 3.79Å; V273-I334 HydrophobicContact CG1-CG1 3.91Å; V273-I334 HydrophobicContact CG2-CB 4.03Å; V273-I334 HydrophobicContact CG2-CD1 4.11Å; V273-I334 HydrophobicContact CG2-CG1 4.06Å; K275-I334 HydrophobicContact CB-CB 4.03Å; K275-I334 HydrophobicContact CB-CG2 3.69Å; K275-I334 HydrophobicContact CG-CB 3.8Å; K275-I334 HydrophobicContact CG-CG2 3.98Å; K275-I334 WeakPolarHBondContact CG-O 3.34Å; A301-I334 HydrophobicContact CB-CD1 4.08Å; A301-I334 HydrophobicContact CB-CG2 4.38Å; L309-I334 HydrophobicContact CD1-CD1 3.63Å; L309-I334 HydrophobicContact CD1-CG1 4.42Å; I331-I334 HydrophobicContact CG2-CG1 4.49Å; I334-I343 HydrophobicContact CG2-CD1 3.54Å; I334-I343 HydrophobicContact CG2-CG1 3.74Å; I334-L344 WeakPolarHBondContact CA-O 3.43Å; I334-V345 HydrophobicContact CG1-CG1 4.05Å; I334-V345 HydrophobicContact CG1-CG2 4.22Å |
| 335 | S | 98.3 | Very high | 95.7 | Very high | 9 Ų | 9 | 30.5 Ų | 30.5 | 6% | 0.063 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 144.9 | 166.9 | -174 | 0 | 0 | 0 | 0 | 110.9 | D20 I21 I343 L344 | D20-S335 VanDerWaalsContact OD1-CB 3.31Å; D20-S335 WeakPolarHBondContact OD1-CB 3.43Å; D20-S335 PolarHBondContact OD1-OG 3.42Å; I21-S335 PolarHBondContact N-OG 3.02Å; I21-S335 VanDerWaalsContact N-OG 3.11Å; S335-I343 WeakPolarHBondContact O-CA 3.18Å; S335-L344 PolarHBondContact N-O 3.43Å; S335-L344 PolarHBondContact O-N 2.98Å |
| 336 | W | 97.7 | Very high | 95.9 | Very high | 20 Ų | 20 | 24.4 Ų | 24.4 | 8% | 0.076 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 145.3 | -178.6 | -72.3 | 96.1 | 0 | 0 | 0 | 109.9 | K275 F276 N277 P278 C299 A301 V311 G342 I343 | K275-W336 PolarHBondContact O-NE1 3.32Å; F276-W336 PolarHBondContact O-NE1 2.9Å; N277-W336 HydrophobicContact CB-CD2 4.05Å; N277-W336 HydrophobicContact CB-CE3 4.38Å; N277-W336 HydrophobicContact CB-CG 4.42Å; N277-W336 HydrophobicContact CB-CZ2 4.23Å; N277-W336 WeakPolarHBondContact ND2-CZ3 3.46Å; P278-W336 HydrophobicContact CG-CB 4.42Å; C299-W336 VanDerWaalsContact SG-CH2 3.53Å; A301-W336 HydrophobicContact CB-CZ2 3.7Å; V311-W336 HydrophobicContact CG1-CH2 4.23Å; W336-G342 WeakPolarHBondContact CA-O 3.46Å; W336-I343 HydrophobicContact CD2-CB 4.04Å; W336-I343 HydrophobicContact CD2-CD1 4.41Å; W336-I343 HydrophobicContact CD2-CG1 4.3Å; W336-I343 HydrophobicContact CE3-CB 3.73Å; W336-I343 HydrophobicContact CE3-CG1 4.48Å; W336-I343 HydrophobicContact CE3-CG2 4.47Å; W336-I343 HydrophobicContact CH2-CB 4.44Å; W336-I343 HydrophobicContact CH2-CD1 4.37Å; W336-I343 HydrophobicContact CZ2-CD1 4.06Å; W336-I343 HydrophobicContact CZ3-CB 3.94Å; W336-I343 HydrophobicContact CZ3-CG2 4.2Å |
| 337 | T | 94.3 | Very high | 95.9 | Very high | 12 Ų | 12 | 24.3 Ų | 24.3 | 7% | 0.074 | 13% | 0.126 | C | C | . | . | trans | -68 | 150.8 | 171.5 | 54.5 | 0 | 0 | 0 | 0 | 110.6 | I21 N339 G340 G342 F354 | I21-T337 HydrophobicContact CD1-CG2 3.65Å; I21-T337 HydrophobicContact CG2-CG2 4.49Å; T337-N339 WeakPolarHBondContact CB-OD1 3.39Å; T337-N339 PolarHBondContact O-N 2.63Å; T337-N339 PolarHBondContact OG1-OD1 2.98Å; T337-G340 WeakPolarHBondContact O-CA 3.38Å; T337-G340 PolarHBondContact O-N 2.82Å; T337-G342 PolarHBondContact N-O 2.98Å; T337-G342 VanDerWaalsContact OG1-CA 3.32Å; T337-G342 WeakPolarHBondContact OG1-CA 3.38Å; T337-G342 PolarHBondContact OG1-N 3.37Å; T337-G342 PolarHBondContact OG1-O 2.92Å; T337-F354 HydrophobicContact CG2-CE2 4.05Å; T337-F354 HydrophobicContact CG2-CZ 4.27Å | ||
| 338 | L | 88.3 | Confident | 96 | Very high | 90 Ų | 90 | 26.4 Ų | 26.4 | 47% | 0.471 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -23.3 | -178.6 | -173.4 | 60.6 | 0 | 0 | 0 | 113.6 | P23 K279 G340 | P23-L338 HydrophobicContact CB-CD2 4.48Å; P23-L338 VanDerWaalsContact O-CB 3.31Å; P23-L338 WeakPolarHBondContact O-CB 3.45Å; P23-L338 WeakPolarHBondContact O-CD2 3.42Å; K279-L338 WeakPolarHBondContact CE-O 3.38Å; L338-G340 PolarHBondContact O-N 3.14Å |
| 339 | N | 87.3 | Confident | 95.9 | Very high | 95 Ų | 95 | 21.3 Ų | 21.3 | 51% | 0.508 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -9.4 | 171.5 | 72.6 | 0.6 | 0 | 0 | 0 | 113.8 | T337 L341 | T337-N339 WeakPolarHBondContact CB-OD1 3.39Å; T337-N339 PolarHBondContact O-N 2.63Å; T337-N339 PolarHBondContact OG1-OD1 2.98Å; N339-L341 VanDerWaalsContact C-N 3.3Å; N339-L341 PolarHBondContact O-N 3Å; N339-L341 PolarHBondContact OD1-N 2.95Å |
| 340 | G | 92.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.091 | C | C | . | . | S | Bend | trans | 75.9 | 5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | N277 T337 L338 L362 | N277-G340 PolarHBondContact ND2-O 3.18Å; N277-G340 WeakPolarHBondContact OD1-CA 3.37Å; T337-G340 WeakPolarHBondContact O-CA 3.38Å; T337-G340 PolarHBondContact O-N 2.82Å; L338-G340 PolarHBondContact O-N 3.14Å; G340-L362 VanDerWaalsContact O-CD1 3.31Å; G340-L362 WeakPolarHBondContact O-CD1 3.36Å |
| 341 | L | 94.1 | Very high | 95.8 | Very high | 37 Ų | 37 | 18.3 Ų | 18.3 | 19% | 0.194 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -101.4 | -23.6 | -176.9 | -63.7 | -176.2 | 0 | 0 | 0 | 114.1 | N339 F357 L362 | N339-L341 VanDerWaalsContact C-N 3.3Å; N339-L341 PolarHBondContact O-N 3Å; N339-L341 PolarHBondContact OD1-N 2.95Å; L341-F357 WeakPolarHBondContact O-CB 3.24Å; L341-F357 PolarHBondContact O-N 3.11Å; L341-L362 HydrophobicContact CD2-CD1 4.12Å |
| 342 | G | 95.1 | Very high | 95.7 | Very high | 3 Ų | 3 | 18.5 Ų | 18.5 | 3% | 0.031 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 146 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | W336 T337 L355 | W336-G342 WeakPolarHBondContact CA-O 3.46Å; T337-G342 PolarHBondContact N-O 2.98Å; T337-G342 VanDerWaalsContact OG1-CA 3.32Å; T337-G342 WeakPolarHBondContact OG1-CA 3.38Å; T337-G342 PolarHBondContact OG1-N 3.37Å; T337-G342 PolarHBondContact OG1-O 2.92Å; G342-L355 WeakPolarHBondContact CA-O 3.2Å |
| 343 | I | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 129.2 | 173.1 | 176.8 | -178 | 0 | 0 | 0 | 109.9 | A301 I334 S335 W336 V345 F354 L355 F357 | A301-I343 HydrophobicContact CB-CD1 3.38Å; I334-I343 HydrophobicContact CG2-CD1 3.54Å; I334-I343 HydrophobicContact CG2-CG1 3.74Å; S335-I343 WeakPolarHBondContact O-CA 3.18Å; W336-I343 HydrophobicContact CD2-CB 4.04Å; W336-I343 HydrophobicContact CD2-CD1 4.41Å; W336-I343 HydrophobicContact CD2-CG1 4.3Å; W336-I343 HydrophobicContact CE3-CB 3.73Å; W336-I343 HydrophobicContact CE3-CG1 4.48Å; W336-I343 HydrophobicContact CE3-CG2 4.47Å; W336-I343 HydrophobicContact CH2-CB 4.44Å; W336-I343 HydrophobicContact CH2-CD1 4.37Å; W336-I343 HydrophobicContact CZ2-CD1 4.06Å; W336-I343 HydrophobicContact CZ3-CB 3.94Å; W336-I343 HydrophobicContact CZ3-CG2 4.2Å; I343-V345 HydrophobicContact CD1-CG2 4.12Å; I343-V345 HydrophobicContact CG1-CG2 3.98Å; I343-F354 CarbonylContact O-C 3.52Å; I343-F354 WeakPolarHBondContact O-CA 3.29Å; I343-F354 WeakPolarHBondContact O-CD2 3.44Å; I343-L355 HydrophobicContact CG2-CB 3.62Å; I343-L355 HydrophobicContact CG2-CD2 3.87Å; I343-L355 HydrophobicContact CG2-CG 4.23Å; I343-L355 PolarHBondContact N-O 3.41Å; I343-L355 PolarHBondContact O-N 3.18Å; I343-F357 HydrophobicContact CG2-CD2 4.43Å; I343-F357 HydrophobicContact CG2-CE2 3.86Å |
| 344 | L | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 131.9 | 175.9 | -171.5 | 63.6 | 0 | 0 | 0 | 109.2 | V19 I21 F28 I334 S335 V352 F354 | V19-L344 HydrophobicContact CG2-CD2 3.48Å; V19-L344 VanDerWaalsContact CG2-CD2 3.48Å; V19-L344 HydrophobicContact CG2-CG 3.86Å; I21-L344 HydrophobicContact CD1-CB 3.73Å; I21-L344 HydrophobicContact CG1-CB 4.01Å; I21-L344 HydrophobicContact CG1-CD2 4.07Å; F28-L344 HydrophobicContact CB-CD2 3.88Å; F28-L344 HydrophobicContact CD1-CD2 4.16Å; F28-L344 HydrophobicContact CD2-CD2 3.4Å; F28-L344 VanDerWaalsContact CD2-CD2 3.4Å; F28-L344 HydrophobicContact CE2-CD2 3.84Å; F28-L344 HydrophobicContact CG-CD2 3.56Å; F28-L344 HydrophobicContact CZ-CD2 4.37Å; I334-L344 WeakPolarHBondContact CA-O 3.43Å; S335-L344 PolarHBondContact N-O 3.43Å; S335-L344 PolarHBondContact O-N 2.98Å; L344-V352 HydrophobicContact CD1-CB 4.17Å; L344-V352 HydrophobicContact CD1-CG2 4Å; L344-F354 HydrophobicContact CB-CD2 4.08Å; L344-F354 HydrophobicContact CD1-CB 3.96Å; L344-F354 HydrophobicContact CD1-CD2 4.13Å |
| 345 | V | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 138.5 | -173.7 | -171.2 | 0 | 0 | 0 | 0 | 109.1 | L309 F327 I331 I334 I343 V352 A353 | L309-V345 HydrophobicContact CD1-CG1 4.48Å; L309-V345 HydrophobicContact CD1-CG2 4.24Å; L309-V345 HydrophobicContact CD2-CG2 4.11Å; F327-V345 HydrophobicContact CE2-CB 4.14Å; F327-V345 HydrophobicContact CE2-CG1 3.75Å; F327-V345 HydrophobicContact CZ-CB 4.37Å; F327-V345 HydrophobicContact CZ-CG1 4.37Å; F327-V345 WeakPolarHBondContact CZ-O 3.43Å; I331-V345 HydrophobicContact CB-CG1 4.46Å; I331-V345 HydrophobicContact CD1-CG1 4.19Å; I331-V345 HydrophobicContact CG1-CG1 4.16Å; I331-V345 HydrophobicContact CG2-CG1 3.53Å; I334-V345 HydrophobicContact CG1-CG1 4.05Å; I334-V345 HydrophobicContact CG1-CG2 4.22Å; I343-V345 HydrophobicContact CD1-CG2 4.12Å; I343-V345 HydrophobicContact CG1-CG2 3.98Å; V345-V352 CarbonylContact O-C 3.5Å; V345-V352 WeakPolarHBondContact O-CA 3.45Å; V345-V352 WeakPolarHBondContact O-CB 3.33Å; V345-A353 PolarHBondContact N-O 2.67Å; V345-A353 PolarHBondContact O-N 2.99Å |
| 346 | C | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 157.7 | 177 | 77.3 | 0 | 0 | 0 | 0 | 113.6 | I16 V19 M332 D333 V352 | I16-C346 HydrophobicContact CB-CB 4.3Å; I16-C346 HydrophobicContact CG2-CB 3.7Å; V19-C346 HydrophobicContact CB-CB 3.95Å; V19-C346 HydrophobicContact CG1-CB 3.83Å; M332-C346 PolarHBondContact N-O 2.83Å; D333-C346 PolarHBondContact O-N 2.86Å; D333-C346 VanDerWaalsContact O-N 3.09Å; C346-V352 HydrophobicContact CB-CG1 3.91Å |
| 347 | S | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 153 | -176.4 | 174.5 | 0 | 0 | 0 | 0 | 113.9 | I16 K329 S330 D349 G350 S351 | I16-S347 PolarHBondContact N-O 3.14Å; I16-S347 CarbonylContact O-C 3.59Å; K329-S347 PolarHBondContact O-OG 3.21Å; S330-S347 WeakPolarHBondContact O-CA 3.4Å; S330-S347 PolarHBondContact O-OG 2.8Å; S347-D349 WeakPolarHBondContact CB-OD1 3.34Å; S347-D349 WeakPolarHBondContact CB-OD2 3.38Å; S347-D349 PolarHBondContact O-N 3.02Å; S347-D349 VanDerWaalsContact O-N 3.1Å; S347-D349 PolarHBondContact OG-N 2.76Å; S347-D349 PolarHBondContact OG-OD1 2.81Å; S347-D349 PolarHBondContact OG-OD2 2.83Å; S347-G350 PolarHBondContact O-N 2.93Å; S347-S351 PolarHBondContact N-O 2.87Å; S347-S351 VanDerWaalsContact N-O 3.08Å |
| 348 | M | 96.6 | Very high | 95.3 | Very high | 52 Ų | 52 | 21.3 Ų | 21.3 | 26% | 0.256 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -7.8 | 172 | -176.1 | 178.7 | -88.5 | 0 | 0 | 113.6 | P15 F17 H224 K329 S330 M332 G350 | P15-M348 HydrophobicContact CB-CG 4.19Å; P15-M348 HydrophobicContact CG-CG 4.3Å; F17-M348 HydrophobicContact CE1-CE 3.98Å; F17-M348 HydrophobicContact CE1-CG 4.48Å; H224-M348 HydrophobicContact CB-CE 4.27Å; K329-M348 HydrophobicContact CB-CB 4.06Å; K329-M348 HydrophobicContact CD-CB 4.43Å; K329-M348 HydrophobicContact CD-CG 4.24Å; K329-M348 WeakPolarHBondContact CD-O 3.37Å; K329-M348 PolarHBondContact NZ-O 2.85Å; S330-M348 PolarHBondContact O-N 2.89Å; M332-M348 HydrophobicContact CG-CB 3.9Å; M332-M348 HydrophobicContact SD-CB 4.13Å; M332-M348 HydrophobicContact SD-CE 3.78Å; M348-G350 VanDerWaalsContact C-N 3.32Å |
| 349 | D | 95 | Very high | 95.4 | Very high | 21 Ų | 21 | 21.1 Ų | 21.1 | 11% | 0.112 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -14.9 | 167.3 | 52.3 | 49.1 | 0 | 0 | 0 | 113.8 | F327 D328 K329 S347 S351 | F327-D349 WeakPolarHBondContact CB-OD2 3.37Å; D328-D349 HydrophobicContact CB-CB 4.25Å; D328-D349 PolarHBondContact N-OD2 2.85Å; K329-D349 HydrophobicContact CB-CB 4.14Å; K329-D349 HydrophobicContact CD-CB 4.16Å; K329-D349 HydrophobicContact CG-CB 4Å; K329-D349 PolarHBondContact N-OD2 3.41Å; K329-D349 VanDerWaalsContact N-OD2 3.12Å; S347-D349 WeakPolarHBondContact CB-OD1 3.34Å; S347-D349 WeakPolarHBondContact CB-OD2 3.38Å; S347-D349 PolarHBondContact O-N 3.02Å; S347-D349 VanDerWaalsContact O-N 3.1Å; S347-D349 PolarHBondContact OG-N 2.76Å; S347-D349 PolarHBondContact OG-OD1 2.81Å; S347-D349 PolarHBondContact OG-OD2 2.83Å; D349-S351 WeakPolarHBondContact OD1-CB 3.42Å; D349-S351 PolarHBondContact OD1-N 3.1Å; D349-S351 PolarHBondContact OD1-OG 2.94Å |
| 350 | G | 94.8 | Very high | 95.5 | Very high | 3 Ų | 3 | 22.5 Ų | 22.5 | 3% | 0.031 | 13% | 0.125 | C | C | . | . | S | Bend | trans | 98.4 | 10.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | N10 K14 I16 S347 M348 | N10-G350 VanDerWaalsContact CA-O 3.28Å; N10-G350 WeakPolarHBondContact CA-O 3.27Å; N10-G350 WeakPolarHBondContact CB-O 3.49Å; K14-G350 WeakPolarHBondContact O-CA 3.37Å; I16-G350 VanDerWaalsContact CD1-O 3.31Å; I16-G350 WeakPolarHBondContact CD1-O 3.45Å; S347-G350 PolarHBondContact O-N 2.93Å; M348-G350 VanDerWaalsContact C-N 3.32Å |
| 351 | S | 95.4 | Very high | 95.5 | Very high | 42 Ų | 42 | 25.9 Ų | 25.9 | 29% | 0.294 | 14% | 0.14 | S | C | . | . | trans | -111.3 | 169.4 | 177.5 | 70.9 | 0 | 0 | 0 | 0 | 113.2 | F327 S347 D349 | F327-S351 WeakPolarHBondContact CD1-OG 3.39Å; F327-S351 WeakPolarHBondContact CE1-OG 3.19Å; S347-S351 PolarHBondContact N-O 2.87Å; S347-S351 VanDerWaalsContact N-O 3.08Å; D349-S351 WeakPolarHBondContact OD1-CB 3.42Å; D349-S351 PolarHBondContact OD1-N 3.1Å; D349-S351 PolarHBondContact OD1-OG 2.94Å | ||
| 352 | V | 97.4 | Very high | 95.4 | Very high | 3 Ų | 3 | 24.1 Ų | 24.1 | 2% | 0.018 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 161.9 | 171.4 | -50.9 | 0 | 0 | 0 | 0 | 111.6 | P6 V9 I16 T30 L344 V345 C346 | P6-V352 HydrophobicContact CG-CG2 3.82Å; V9-V352 HydrophobicContact CB-CG2 3.77Å; V9-V352 HydrophobicContact CG1-CB 4.37Å; V9-V352 HydrophobicContact CG1-CG1 3.87Å; V9-V352 HydrophobicContact CG1-CG2 3.55Å; V9-V352 HydrophobicContact CG2-CG2 4.28Å; I16-V352 HydrophobicContact CD1-CG1 4.15Å; T30-V352 HydrophobicContact CG2-CG1 4.46Å; L344-V352 HydrophobicContact CD1-CB 4.17Å; L344-V352 HydrophobicContact CD1-CG2 4Å; V345-V352 CarbonylContact O-C 3.5Å; V345-V352 WeakPolarHBondContact O-CA 3.45Å; V345-V352 WeakPolarHBondContact O-CB 3.33Å; C346-V352 HydrophobicContact CB-CG1 3.91Å |
| 353 | A | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 137.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | L3 L4 K5 L326 F327 V345 L355 | L3-A353 HydrophobicContact CD1-CB 4.17Å; L4-A353 WeakPolarHBondContact O-CA 3.48Å; K5-A353 HydrophobicContact CG-CB 3.99Å; L326-A353 HydrophobicContact CD1-CB 3.98Å; L326-A353 HydrophobicContact CG-CB 4.35Å; F327-A353 HydrophobicContact CE1-CB 4.14Å; F327-A353 HydrophobicContact CE2-CB 4.29Å; F327-A353 HydrophobicContact CZ-CB 3.58Å; V345-A353 PolarHBondContact N-O 2.67Å; V345-A353 PolarHBondContact O-N 2.99Å; A353-L355 HydrophobicContact CB-CD1 4.42Å |
| 354 | F | 97.8 | Very high | 94.8 | Very high | 4 Ų | 4 | 25.8 Ų | 25.8 | 2% | 0.018 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 135.6 | 176.1 | -175.5 | -100 | 0 | 0 | 0 | 110.3 | L4 M45 V48 L49 T337 I343 L344 D356 | L4-F354 HydrophobicContact CD1-CD1 4.48Å; L4-F354 PolarHBondContact N-O 2.92Å; L4-F354 PolarHBondContact O-N 3.12Å; M45-F354 HydrophobicContact CE-CD2 4.11Å; M45-F354 HydrophobicContact CE-CE2 3.7Å; M45-F354 HydrophobicContact CE-CZ 4.19Å; V48-F354 HydrophobicContact CG1-CB 3.73Å; V48-F354 HydrophobicContact CG1-CD1 4.5Å; V48-F354 HydrophobicContact CG1-CG 4.08Å; L49-F354 HydrophobicContact CD2-CD1 4.02Å; L49-F354 HydrophobicContact CD2-CE1 3.3Å; L49-F354 HydrophobicContact CD2-CE2 4.45Å; L49-F354 HydrophobicContact CD2-CZ 3.56Å; T337-F354 HydrophobicContact CG2-CE2 4.05Å; T337-F354 HydrophobicContact CG2-CZ 4.27Å; I343-F354 CarbonylContact O-C 3.52Å; I343-F354 WeakPolarHBondContact O-CA 3.29Å; I343-F354 WeakPolarHBondContact O-CD2 3.44Å; L344-F354 HydrophobicContact CB-CD2 4.08Å; L344-F354 HydrophobicContact CD1-CB 3.96Å; L344-F354 HydrophobicContact CD1-CD2 4.13Å; F354-D356 HydrophobicContact CE1-CB 4.04Å |
| 355 | L | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 132.4 | 177.9 | -60.2 | 50.3 | 0 | 0 | 0 | 108.4 | M1 K2 L3 L309 I323 G342 I343 A353 F357 | M1-L355 HydrophobicContact CE-CB 3.77Å; M1-L355 HydrophobicContact CE-CD2 3.35Å; M1-L355 HydrophobicContact CE-CG 3.59Å; K2-L355 WeakPolarHBondContact O-CA 3.38Å; L3-L355 HydrophobicContact CD1-CD1 3.6Å; L3-L355 HydrophobicContact CD1-CG 3.97Å; L309-L355 HydrophobicContact CD2-CD2 3.4Å; L309-L355 VanDerWaalsContact CD2-CD2 3.4Å; I323-L355 HydrophobicContact CD1-CD2 4.09Å; G342-L355 WeakPolarHBondContact CA-O 3.2Å; I343-L355 HydrophobicContact CG2-CB 3.62Å; I343-L355 HydrophobicContact CG2-CD2 3.87Å; I343-L355 HydrophobicContact CG2-CG 4.23Å; I343-L355 PolarHBondContact N-O 3.41Å; I343-L355 PolarHBondContact O-N 3.18Å; A353-L355 HydrophobicContact CB-CD1 4.42Å; L355-F357 HydrophobicContact CB-CE2 4.21Å; L355-F357 HydrophobicContact CD2-CE2 4.47Å |
| 356 | D | 95 | Very high | 94.1 | Very high | 45 Ų | 45 | 28.8 Ų | 28.8 | 24% | 0.241 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 109.3 | -176.9 | 177.7 | 38.1 | 0 | 0 | 0 | 109.2 | M1 K2 F354 | M1-D356 CarbonylContact C-O 3.36Å; M1-D356 WeakPolarHBondContact CA-O 3.45Å; K2-D356 HydrophobicContact CB-CB 4.15Å; K2-D356 HydrophobicContact CD-CB 4.49Å; K2-D356 WeakPolarHBondContact CD-OD2 3.38Å; K2-D356 WeakPolarHBondContact CE-OD2 3.25Å; K2-D356 PolarHBondContact N-O 3.38Å; K2-D356 IonicContact NZ-OD2 2.91Å; K2-D356 PolarHBondContact NZ-OD2 3.07Å; K2-D356 PolarHBondContact O-N 2.74Å; F354-D356 HydrophobicContact CE1-CB 4.04Å |
| 357 | F | 95.8 | Very high | 93.7 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 1% | 0.013 | 17% | 0.174 | C | C | . | . | trans | -95.8 | 144.1 | 178.7 | -70.3 | -87.7 | 0 | 0 | 0 | 111.7 | M1 V311 L320 V321 L341 I343 L355 E361 L362 | M1-F357 HydrophobicContact CB-CD1 4.19Å; M1-F357 HydrophobicContact CB-CE1 4.34Å; M1-F357 HydrophobicContact CE-CE1 4.01Å; M1-F357 HydrophobicContact CE-CE2 4.2Å; M1-F357 HydrophobicContact CE-CZ 3.6Å; M1-F357 HydrophobicContact CG-CD1 4.03Å; M1-F357 HydrophobicContact CG-CE1 3.87Å; M1-F357 HydrophobicContact CG-CZ 4.27Å; M1-F357 HydrophobicContact SD-CE1 3.79Å; M1-F357 HydrophobicContact SD-CZ 4.02Å; V311-F357 HydrophobicContact CG1-CZ 4.39Å; V311-F357 HydrophobicContact CG2-CZ 4.15Å; L320-F357 HydrophobicContact CD2-CE1 4.49Å; V321-F357 HydrophobicContact CG2-CE1 3.99Å; L341-F357 WeakPolarHBondContact O-CB 3.24Å; L341-F357 PolarHBondContact O-N 3.11Å; I343-F357 HydrophobicContact CG2-CD2 4.43Å; I343-F357 HydrophobicContact CG2-CE2 3.86Å; L355-F357 HydrophobicContact CB-CE2 4.21Å; L355-F357 HydrophobicContact CD2-CE2 4.47Å; F357-E361 HydrophobicContact CD1-CB 4.36Å; F357-L362 HydrophobicContact CB-CD1 3.63Å; F357-L362 HydrophobicContact CB-CG 3.87Å; F357-L362 HydrophobicContact CD1-CD2 4.41Å; F357-L362 HydrophobicContact CD1-CG 4.39Å; F357-L362 HydrophobicContact CD2-CD1 4.24Å; F357-L362 HydrophobicContact CG-CD1 3.96Å; F357-L362 HydrophobicContact CG-CD2 4.45Å; F357-L362 HydrophobicContact CG-CG 4.13Å | ||
| 358 | S | 93 | Very high | 93 | Very high | 50 Ų | 50 | 34.3 Ų | 34.3 | 35% | 0.35 | 19% | 0.19 | S | C | . | . | trans | -80 | 155.5 | 170.4 | 83.9 | 0 | 0 | 0 | 0 | 111.5 | D360 E361 L362 | S358-D360 PolarHBondContact O-N 3.13Å; S358-D360 PolarHBondContact OG-N 2.88Å; S358-E361 PolarHBondContact N-OE2 3.44Å; S358-E361 WeakPolarHBondContact O-CB 3.43Å; S358-E361 PolarHBondContact O-N 2.65Å; S358-E361 WeakPolarHBondContact OG-CG 3.36Å; S358-E361 PolarHBondContact OG-N 2.75Å; S358-L362 PolarHBondContact O-N 2.87Å | ||
| 359 | Q | 90.4 | Very high | 92.4 | Very high | 86 Ų | 86 | 37.2 Ų | 37.2 | 40% | 0.402 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.3 | -21.3 | 172 | -170.2 | 175.7 | -5.2 | 0 | 0 | 112.6 | E361 G363 D364 | Q359-E361 VanDerWaalsContact C-N 3.35Å; Q359-G363 WeakPolarHBondContact CG-O 3.38Å; Q359-G363 CarbonylContact O-C 3.36Å; Q359-G363 WeakPolarHBondContact O-CA 3.5Å; Q359-G363 PolarHBondContact O-N 3.38Å; Q359-D364 PolarHBondContact NE2-OD1 3.38Å |
| 360 | D | 89.6 | Confident | 92 | Very high | 124 Ų | 124 | 38.8 Ų | 38.8 | 66% | 0.663 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -79 | -16.2 | 173.3 | -67.6 | -56.3 | 0 | 0 | 0 | 113.4 | K284 S358 | K284-D360 WeakPolarHBondContact CD-OD1 3.22Å; K284-D360 WeakPolarHBondContact CE-OD1 3.46Å; K284-D360 IonicContact NZ-OD1 3.37Å; K284-D360 PolarHBondContact NZ-OD1 3.42Å; K284-D360 IonicContact NZ-OD2 2.95Å; S358-D360 PolarHBondContact O-N 3.13Å; S358-D360 PolarHBondContact OG-N 2.88Å |
| 361 | E | 91.5 | Very high | 91.6 | Very high | 70 Ų | 70 | 40.4 Ų | 40.4 | 33% | 0.327 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -90.4 | -41.8 | 177 | -69.4 | 170.4 | 142.2 | 0 | 0 | 112.6 | M1 F357 S358 Q359 | M1-E361 VanDerWaalsContact CA-OE2 3.32Å; M1-E361 WeakPolarHBondContact CA-OE2 3.43Å; M1-E361 WeakPolarHBondContact CB-OE1 3.16Å; M1-E361 PolarHBondContact N-OE1 3.29Å; M1-E361 PolarHBondContact N-OE2 2.68Å; F357-E361 HydrophobicContact CD1-CB 4.36Å; S358-E361 PolarHBondContact N-OE2 3.44Å; S358-E361 WeakPolarHBondContact O-CB 3.43Å; S358-E361 PolarHBondContact O-N 2.65Å; S358-E361 WeakPolarHBondContact OG-CG 3.36Å; S358-E361 PolarHBondContact OG-N 2.75Å; Q359-E361 VanDerWaalsContact C-N 3.35Å |
| 362 | L | 91.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -94.7 | -26.1 | 179.6 | -64.4 | 178.5 | 0 | 0 | 0 | 113.5 | F281 Y297 L313 L320 G340 L341 F357 S358 | F281-L362 HydrophobicContact CD1-CB 4.19Å; F281-L362 HydrophobicContact CE1-CB 3.9Å; F281-L362 HydrophobicContact CZ-CB 4.22Å; F281-L362 HydrophobicContact CZ-CD1 4.29Å; Y297-L362 WeakPolarHBondContact CE2-O 3.41Å; Y297-L362 PolarHBondContact OH-O 2.77Å; L313-L362 HydrophobicContact CD2-CD2 4.11Å; L320-L362 HydrophobicContact CD2-CD2 3.71Å; G340-L362 VanDerWaalsContact O-CD1 3.31Å; G340-L362 WeakPolarHBondContact O-CD1 3.36Å; L341-L362 HydrophobicContact CD2-CD1 4.12Å; F357-L362 HydrophobicContact CB-CD1 3.63Å; F357-L362 HydrophobicContact CB-CG 3.87Å; F357-L362 HydrophobicContact CD1-CD2 4.41Å; F357-L362 HydrophobicContact CD1-CG 4.39Å; F357-L362 HydrophobicContact CD2-CD1 4.24Å; F357-L362 HydrophobicContact CG-CD1 3.96Å; F357-L362 HydrophobicContact CG-CD2 4.45Å; F357-L362 HydrophobicContact CG-CG 4.13Å; S358-L362 PolarHBondContact O-N 2.87Å |
| 363 | G | 90.1 | Very high | 90.1 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | trans | 98 | -173.6 | -173 | 0 | 0 | 0 | 0 | 0 | 113 | F281 Q359 | F281-G363 WeakPolarHBondContact CD1-O 3.22Å; Q359-G363 WeakPolarHBondContact CG-O 3.38Å; Q359-G363 CarbonylContact O-C 3.36Å; Q359-G363 WeakPolarHBondContact O-CA 3.5Å; Q359-G363 PolarHBondContact O-N 3.38Å | ||
| 364 | D | 90.2 | Very high | 89.5 | Confident | 33 Ų | 33 | 48.5 Ų | 48.5 | 18% | 0.176 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 128 | -178.9 | -56 | -46.4 | 0 | 0 | 0 | 109.6 | F281 K282 K284 Q359 | F281-D364 CarbonylContact C-O 3.53Å; F281-D364 WeakPolarHBondContact CA-O 3.41Å; K282-D364 HydrophobicContact CG-CB 4.09Å; K282-D364 WeakPolarHBondContact CG-O 3.36Å; K282-D364 PolarHBondContact N-O 3.24Å; K282-D364 PolarHBondContact O-N 2.89Å; K284-D364 WeakPolarHBondContact CA-OD2 3.46Å; K284-D364 VanDerWaalsContact CB-OD2 3.3Å; K284-D364 WeakPolarHBondContact CB-OD2 3.27Å; K284-D364 WeakPolarHBondContact CG-OD2 3.33Å; Q359-D364 PolarHBondContact NE2-OD1 3.38Å |
| 365 | P | 92 | Very high | 88.8 | Confident | 48 Ų | 48 | 48.8 Ų | 48.8 | 31% | 0.312 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 146.6 | 174.6 | 28 | -33.8 | 0 | 0 | 0 | 111 | K279 F281 | K279-P365 HydrophobicContact CB-CB 4.13Å; K279-P365 HydrophobicContact CD-CB 4.43Å; K279-P365 HydrophobicContact CG-CB 4.21Å; F281-P365 HydrophobicContact CD1-CB 4.37Å; F281-P365 HydrophobicContact CE1-CB 4.21Å |
| 366 | L | 90.7 | Very high | 87.8 | Confident | 15 Ų | 15 | 52.9 Ų | 52.9 | 8% | 0.079 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 149.9 | 168.1 | -63.2 | -166 | 0 | 0 | 0 | 110.9 | I280 K282 P296 E370 I374 | I280-L366 HydrophobicContact CB-CB 4.43Å; I280-L366 HydrophobicContact CB-CD1 3.77Å; I280-L366 HydrophobicContact CB-CG 3.99Å; I280-L366 HydrophobicContact CD1-CD1 4.39Å; I280-L366 HydrophobicContact CG2-CD1 3.53Å; I280-L366 HydrophobicContact CG2-CG 3.97Å; I280-L366 PolarHBondContact O-N 2.8Å; K282-L366 HydrophobicContact CB-CD2 3.92Å; K282-L366 HydrophobicContact CD-CD2 3.53Å; K282-L366 HydrophobicContact CG-CD2 3.8Å; P296-L366 HydrophobicContact CB-CD1 4.17Å; L366-E370 VanDerWaalsContact CA-OE2 3.3Å; L366-E370 WeakPolarHBondContact CA-OE2 3.42Å; L366-E370 HydrophobicContact CB-CB 3.99Å; L366-E370 HydrophobicContact CD1-CB 4.28Å; L366-E370 HydrophobicContact CG-CB 4.5Å; L366-I374 HydrophobicContact CD1-CD1 3.37Å |
| 367 | S | 88 | Confident | 87.2 | Confident | 43 Ų | 43 | 55.3 Ų | 55.3 | 30% | 0.301 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 157.8 | 166.7 | 89.2 | 0 | 0 | 0 | 0 | 110.8 | E369 E370 K371 | S367-E369 WeakPolarHBondContact CB-OE2 3.35Å; S367-E369 PolarHBondContact O-N 3.32Å; S367-E369 PolarHBondContact OG-N 3.48Å; S367-E369 PolarHBondContact OG-OE2 2.93Å; S367-E370 PolarHBondContact N-OE2 3.04Å; S367-E370 WeakPolarHBondContact O-CB 3.49Å; S367-E370 PolarHBondContact O-N 2.98Å; S367-E370 VanDerWaalsContact O-N 3.12Å; S367-E370 PolarHBondContact OG-N 3.5Å; S367-E370 VanDerWaalsContact OG-N 3.08Å; S367-K371 PolarHBondContact O-N 2.85Å |
| 368 | E | 83 | Confident | 86.5 | Confident | 72 Ų | 72 | 58.3 Ų | 58.3 | 34% | 0.336 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.8 | -24.1 | 177.8 | -65.1 | -60.5 | 148.5 | 0 | 0 | 111.5 | K279 K371 S372 | K279-E368 IonicContact NZ-OE1 3.82Å; K279-E368 PolarHBondContact NZ-OE1 3.36Å; E368-K371 IonicContact OE1-NZ 3.83Å; E368-K371 PolarHBondContact OE1-NZ 3.48Å; E368-K371 WeakPolarHBondContact OE2-CD 3.36Å; E368-K371 VanDerWaalsContact OE2-CE 3.29Å; E368-K371 WeakPolarHBondContact OE2-CE 3.43Å; E368-K371 IonicContact OE2-NZ 2.84Å; E368-K371 PolarHBondContact OE2-NZ 3.03Å; E368-S372 WeakPolarHBondContact O-CB 3.27Å; E368-S372 PolarHBondContact O-N 3.11Å; E368-S372 PolarHBondContact O-OG 3.38Å |
| 369 | E | 83.3 | Confident | 85.9 | Confident | 114 Ų | 114 | 58.3 Ų | 58.3 | 53% | 0.533 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -74.7 | -34.6 | 171.2 | -45.5 | 74.3 | -162 | 0 | 0 | 112.1 | S367 R373 | S367-E369 WeakPolarHBondContact CB-OE2 3.35Å; S367-E369 PolarHBondContact O-N 3.32Å; S367-E369 PolarHBondContact OG-N 3.48Å; S367-E369 PolarHBondContact OG-OE2 2.93Å; E369-R373 WeakPolarHBondContact O-CB 3.5Å; E369-R373 VanDerWaalsContact O-CG 3.3Å; E369-R373 WeakPolarHBondContact O-CG 3.15Å; E369-R373 PolarHBondContact O-N 3.15Å; E369-R373 PolarHBondContact O-NH1 2.92Å |
| 370 | E | 87.9 | Confident | 84.9 | Confident | 53 Ų | 53 | 56 Ų | 56 | 25% | 0.248 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.8 | -46.3 | 170.6 | -76.6 | 179.7 | 133 | 0 | 0 | 111 | K282 L366 S367 R373 I374 | K282-E370 IonicContact NZ-OE1 3.46Å; K282-E370 PolarHBondContact NZ-OE1 2.7Å; K282-E370 IonicContact NZ-OE2 3.29Å; K282-E370 PolarHBondContact NZ-OE2 2.88Å; L366-E370 VanDerWaalsContact CA-OE2 3.3Å; L366-E370 WeakPolarHBondContact CA-OE2 3.42Å; L366-E370 HydrophobicContact CB-CB 3.99Å; L366-E370 HydrophobicContact CD1-CB 4.28Å; L366-E370 HydrophobicContact CG-CB 4.5Å; S367-E370 PolarHBondContact N-OE2 3.04Å; S367-E370 WeakPolarHBondContact O-CB 3.49Å; S367-E370 PolarHBondContact O-N 2.98Å; S367-E370 VanDerWaalsContact O-N 3.12Å; S367-E370 PolarHBondContact OG-N 3.5Å; S367-E370 VanDerWaalsContact OG-N 3.08Å; E370-R373 PolarHBondContact O-N 3.3Å; E370-I374 WeakPolarHBondContact O-CG1 3.11Å; E370-I374 PolarHBondContact O-N 3.2Å |
| 371 | K | 84.9 | Confident | 83.2 | Confident | 37 Ų | 37 | 55.4 Ų | 55.4 | 16% | 0.161 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 175.3 | 172.1 | 171.2 | 150.6 | -153 | 0 | 112.2 | P278 I280 S367 E368 R373 I374 H375 | P278-K371 PolarHBondContact O-NZ 2.52Å; I280-K371 HydrophobicContact CD1-CB 4.22Å; I280-K371 HydrophobicContact CD1-CD 4.24Å; I280-K371 HydrophobicContact CD1-CG 3.88Å; S367-K371 PolarHBondContact O-N 2.85Å; E368-K371 IonicContact OE1-NZ 3.83Å; E368-K371 PolarHBondContact OE1-NZ 3.48Å; E368-K371 WeakPolarHBondContact OE2-CD 3.36Å; E368-K371 VanDerWaalsContact OE2-CE 3.29Å; E368-K371 WeakPolarHBondContact OE2-CE 3.43Å; E368-K371 IonicContact OE2-NZ 2.84Å; E368-K371 PolarHBondContact OE2-NZ 3.03Å; K371-R373 VanDerWaalsContact C-N 3.34Å; K371-R373 PolarHBondContact O-N 2.53Å; K371-I374 WeakPolarHBondContact O-CB 3.2Å; K371-I374 PolarHBondContact O-N 3.02Å; K371-I374 VanDerWaalsContact O-N 3.16Å; K371-H375 PolarHBondContact O-N 3.38Å |
| 372 | S | 80.6 | Confident | 80.9 | Confident | 40 Ų | 40 | 52.6 Ų | 52.6 | 28% | 0.28 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60 | -41.9 | 173.7 | -64 | 0 | 0 | 0 | 0 | 111.9 | E368 H375 Q376 | E368-S372 WeakPolarHBondContact O-CB 3.27Å; E368-S372 PolarHBondContact O-N 3.11Å; E368-S372 PolarHBondContact O-OG 3.38Å; S372-H375 PolarHBondContact O-N 3.47Å; S372-Q376 WeakPolarHBondContact O-CB 3.46Å; S372-Q376 PolarHBondContact O-N 3.28Å |
| 373 | R | 81.9 | Confident | 78.6 | Confident | 140 Ų | 140 | 55.7 Ų | 55.7 | 53% | 0.528 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.6 | -39.7 | 174.1 | -78.3 | -173.4 | -61.2 | -85.7 | 7.1 | 112.3 | E369 E370 K371 Q376 S377 | E369-R373 WeakPolarHBondContact O-CB 3.5Å; E369-R373 VanDerWaalsContact O-CG 3.3Å; E369-R373 WeakPolarHBondContact O-CG 3.15Å; E369-R373 PolarHBondContact O-N 3.15Å; E369-R373 PolarHBondContact O-NH1 2.92Å; E370-R373 PolarHBondContact O-N 3.3Å; K371-R373 VanDerWaalsContact C-N 3.34Å; K371-R373 PolarHBondContact O-N 2.53Å; R373-Q376 PolarHBondContact O-N 3.02Å; R373-S377 VanDerWaalsContact O-CB 3.26Å; R373-S377 WeakPolarHBondContact O-CB 3.43Å; R373-S377 PolarHBondContact O-N 3.2Å; R373-S377 PolarHBondContact O-OG 2.72Å |
| 374 | I | 84 | Confident | 76.3 | Confident | 35 Ų | 35 | 56.2 Ų | 56.2 | 18% | 0.179 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.3 | -58.7 | 174.1 | -70 | 167.5 | 0 | 0 | 0 | 109.5 | I280 P296 L366 E370 K371 Q376 S377 T378 | I280-I374 HydrophobicContact CD1-CD1 4.35Å; P296-I374 HydrophobicContact CB-CD1 4.3Å; P296-I374 HydrophobicContact CG-CD1 4.16Å; L366-I374 HydrophobicContact CD1-CD1 3.37Å; E370-I374 WeakPolarHBondContact O-CG1 3.11Å; E370-I374 PolarHBondContact O-N 3.2Å; K371-I374 WeakPolarHBondContact O-CB 3.2Å; K371-I374 PolarHBondContact O-N 3.02Å; K371-I374 VanDerWaalsContact O-N 3.16Å; I374-Q376 VanDerWaalsContact C-N 3.27Å; I374-Q376 PolarHBondContact O-N 3.34Å; I374-S377 PolarHBondContact O-N 2.93Å; I374-S377 PolarHBondContact O-OG 3.49Å; I374-T378 PolarHBondContact O-N 2.87Å; I374-T378 PolarHBondContact O-OG1 2.94Å; I374-T378 VanDerWaalsContact O-OG1 3.11Å |
| 375 | H | 82.9 | Confident | 74 | Confident | 11 Ų | 11 | 56.3 Ų | 56.3 | 5% | 0.051 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -55.5 | -42.2 | 179.3 | -65 | 163.8 | 0 | 0 | 0 | 112.3 | P232 K371 S372 S377 T378 Y379 I385 | P232-H375 PolarHBondContact O-CE1 2.86Å; P232-H375 PolarHBondContact O-NE2 3.15Å; K371-H375 PolarHBondContact O-N 3.38Å; S372-H375 PolarHBondContact O-N 3.47Å; H375-S377 VanDerWaalsContact C-N 3.35Å; H375-S377 PolarHBondContact O-N 3.27Å; H375-T378 PolarHBondContact O-N 3.22Å; H375-Y379 HydrophobicContact CB-CD2 4.48Å; H375-Y379 WeakPolarHBondContact O-CB 3.31Å; H375-Y379 PolarHBondContact O-N 3.41Å; H375-I385 HydrophobicContact CB-CD1 3.56Å; H375-I385 HydrophobicContact CB-CG1 4.4Å |
| 376 | Q | 78 | Confident | 71.5 | Confident | 85 Ų | 85 | 56.1 Ų | 56.1 | 40% | 0.397 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.7 | -37.4 | 178.2 | -170.6 | 179.8 | 26.2 | 0 | 0 | 112.7 | S372 R373 I374 G380 I385 | S372-Q376 WeakPolarHBondContact O-CB 3.46Å; S372-Q376 PolarHBondContact O-N 3.28Å; R373-Q376 PolarHBondContact O-N 3.02Å; I374-Q376 VanDerWaalsContact C-N 3.27Å; I374-Q376 PolarHBondContact O-N 3.34Å; Q376-G380 WeakPolarHBondContact CA-O 3.39Å; Q376-G380 CarbonylContact O-C 3.54Å; Q376-G380 VanDerWaalsContact O-CA 3.24Å; Q376-G380 WeakPolarHBondContact O-CA 3.42Å; Q376-G380 PolarHBondContact O-N 3.25Å; Q376-G380 VanDerWaalsContact O-N 3.11Å; Q376-I385 HydrophobicContact CB-CD1 4.08Å |
| 377 | S | 80.9 | Confident | 69.3 | Low | 96 Ų | 96 | 59.2 Ų | 59.2 | 67% | 0.671 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -75.9 | -33 | 179.1 | 71.3 | 0 | 0 | 0 | 0 | 113.5 | R373 I374 H375 | R373-S377 VanDerWaalsContact O-CB 3.26Å; R373-S377 WeakPolarHBondContact O-CB 3.43Å; R373-S377 PolarHBondContact O-N 3.2Å; R373-S377 PolarHBondContact O-OG 2.72Å; I374-S377 PolarHBondContact O-N 2.93Å; I374-S377 PolarHBondContact O-OG 3.49Å; H375-S377 VanDerWaalsContact C-N 3.35Å; H375-S377 PolarHBondContact O-N 3.27Å |
| 378 | T | 81.9 | Confident | 66.9 | Low | 66 Ų | 66 | 62.6 Ų | 62.6 | 41% | 0.405 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -86.6 | -37.2 | -179 | -46.4 | 0 | 0 | 0 | 0 | 112.4 | I374 H375 | I374-T378 PolarHBondContact O-N 2.87Å; I374-T378 PolarHBondContact O-OG1 2.94Å; I374-T378 VanDerWaalsContact O-OG1 3.11Å; H375-T378 PolarHBondContact O-N 3.22Å |
| 379 | Y | 80.9 | Confident | 64.6 | Low | 51 Ų | 51 | 63.6 Ų | 63.6 | 20% | 0.2 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -122 | 6.2 | -169.1 | -50.8 | -60 | 0 | 0 | 0 | 114.4 | V185 D233 G234 H235 H375 | V185-Y379 HydrophobicContact CB-CD2 4.34Å; V185-Y379 HydrophobicContact CG1-CD2 3.83Å; V185-Y379 HydrophobicContact CG1-CG 4.03Å; V185-Y379 HydrophobicContact CG2-CD2 3.5Å; V185-Y379 VanDerWaalsContact CG2-CD2 3.5Å; V185-Y379 HydrophobicContact CG2-CE2 3.57Å; V185-Y379 HydrophobicContact CG2-CG 4.32Å; D233-Y379 WeakPolarHBondContact O-CE2 3.4Å; D233-Y379 PolarHBondContact O-OH 3.07Å; G234-Y379 PolarHBondContact O-OH 3.17Å; H235-Y379 PolarHBondContact N-OH 3.38Å; H235-Y379 PolarHBondContact ND1-OH 3.39Å; H375-Y379 HydrophobicContact CB-CD2 4.48Å; H375-Y379 WeakPolarHBondContact O-CB 3.31Å; H375-Y379 PolarHBondContact O-N 3.41Å |
| 380 | G | 69.1 | Low | 62.5 | Low | 36 Ų | 36 | 64.2 Ų | 64.2 | 37% | 0.371 | 35% | 0.349 | S | S | . | . | S | Bend | trans | 73.7 | -165.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113 | Q376 S382 | Q376-G380 WeakPolarHBondContact CA-O 3.39Å; Q376-G380 CarbonylContact O-C 3.54Å; Q376-G380 VanDerWaalsContact O-CA 3.24Å; Q376-G380 WeakPolarHBondContact O-CA 3.42Å; Q376-G380 PolarHBondContact O-N 3.25Å; Q376-G380 VanDerWaalsContact O-N 3.11Å; G380-S382 VanDerWaalsContact C-N 3.27Å; G380-S382 PolarHBondContact O-N 2.92Å |
| 381 | K | 54.3 | Low | 60.2 | Low | 113 Ų | 113 | 63.1 Ų | 63.1 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -69.7 | 80.7 | 178.2 | -69.2 | -171.3 | -179.3 | -175.9 | 0 | 110.9 | T393 A394 | K381-T393 PolarHBondContact NZ-O 2.84Å; K381-T393 PolarHBondContact NZ-OG1 3.15Å; K381-A394 HydrophobicContact CD-CB 4.43Å |
| 382 | S | 42.5 | Very low | 57.6 | Low | 11 Ų | 11 | 66.8 Ų | 66.8 | 8% | 0.077 | 37% | 0.374 | C | S | . | . | trans | -62.7 | 144.4 | 178.7 | 158.5 | 0 | 0 | 0 | 0 | 112.4 | V185 G380 A384 I385 | V185-S382 WeakPolarHBondContact CG1-OG 3.48Å; V185-S382 PolarHBondContact O-OG 2.9Å; G380-S382 VanDerWaalsContact C-N 3.27Å; G380-S382 PolarHBondContact O-N 2.92Å; S382-A384 PolarHBondContact O-N 2.87Å; S382-A384 VanDerWaalsContact O-N 3.09Å; S382-A384 PolarHBondContact OG-N 2.94Å; S382-I385 PolarHBondContact O-N 3.44Å; S382-I385 VanDerWaalsContact O-N 3.11Å | ||
| 383 | L | 44.3 | Very low | 55.4 | Low | 65 Ų | 65 | 69.3 Ų | 69.3 | 34% | 0.34 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -51.8 | -25.7 | 169.4 | -71.1 | 164.6 | 0 | 0 | 0 | 113 | M401 | L383-M401 HydrophobicContact CD2-CB 4.43Å; L383-M401 HydrophobicContact CD2-CG 4.45Å |
| 384 | A | 40.7 | Very low | 53.1 | Low | 16 Ų | 16 | 63.7 Ų | 63.7 | 13% | 0.132 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -89.1 | 5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | H142 P184 S382 | H142-A384 PolarHBondContact CE1-O 2.85Å; H142-A384 WeakPolarHBondContact NE2-CA 3.39Å; H142-A384 PolarHBondContact NE2-O 2.94Å; P184-A384 WeakPolarHBondContact O-CB 3.47Å; S382-A384 PolarHBondContact O-N 2.87Å; S382-A384 VanDerWaalsContact O-N 3.09Å; S382-A384 PolarHBondContact OG-N 2.94Å |
| 385 | I | 42.8 | Very low | 50.7 | Low | 36 Ų | 36 | 68.6 Ų | 68.6 | 19% | 0.185 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -116.1 | 2.5 | -177.5 | -45.1 | 171.9 | 0 | 0 | 0 | 111.9 | H375 Q376 S382 T387 | H375-I385 HydrophobicContact CB-CD1 3.56Å; H375-I385 HydrophobicContact CB-CG1 4.4Å; Q376-I385 HydrophobicContact CB-CD1 4.08Å; S382-I385 PolarHBondContact O-N 3.44Å; S382-I385 VanDerWaalsContact O-N 3.11Å; I385-T387 PolarHBondContact O-N 3.28Å; I385-T387 VanDerWaalsContact O-N 3.12Å |
| 386 | M | 39.8 | Very low | 48.7 | Very low | 43 Ų | 43 | 69.8 Ų | 69.8 | 21% | 0.212 | 41% | 0.41 | C | S | . | . | trans | -79.5 | 100.2 | -168.4 | -58.4 | -138.5 | 74 | 0 | 0 | 113.5 | L391 A394 | M386-L391 HydrophobicContact CB-CD2 4.31Å; M386-L391 HydrophobicContact CE-CD2 3.46Å; M386-L391 VanDerWaalsContact CE-CD2 3.46Å; M386-L391 HydrophobicContact CE-CG 4.14Å; M386-L391 HydrophobicContact SD-CD2 3.7Å; M386-A394 HydrophobicContact CE-CB 3.48Å; M386-A394 VanDerWaalsContact CE-CB 3.48Å; M386-A394 HydrophobicContact SD-CB 3.97Å | ||
| 387 | T | 44 | Very low | 46.8 | Very low | 81 Ų | 81 | 73.4 Ų | 73.4 | 50% | 0.497 | 43% | 0.426 | S | S | . | . | trans | -79.8 | 151.2 | 167.3 | 54.4 | 0 | 0 | 0 | 0 | 111.8 | I385 A389 Q390 | I385-T387 PolarHBondContact O-N 3.28Å; I385-T387 VanDerWaalsContact O-N 3.12Å; T387-A389 PolarHBondContact O-N 2.81Å; T387-Q390 PolarHBondContact O-N 2.91Å; T387-Q390 VanDerWaalsContact O-N 3.12Å | ||
| 388 | E | 37.7 | Very low | 44.8 | Very low | 114 Ų | 114 | 69.6 Ų | 69.6 | 53% | 0.533 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -45.3 | -41.4 | -175.1 | -72.8 | 176.3 | -159.9 | 0 | 0 | 114.3 | Q412 | E388-Q412 PolarHBondContact OE1-NE2 3.08Å; E388-Q412 PolarHBondContact OE1-OE1 3.4Å |
| 389 | A | 34.9 | Very low | 42.6 | Very low | 93 Ų | 93 | 70.4 Ų | 70.4 | 77% | 0.769 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -81.8 | -16.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | T387 | T387-A389 PolarHBondContact O-N 2.81Š|
| 390 | Q | 37.9 | Very low | 40.7 | Very low | 127 Ų | 127 | 73.2 Ų | 73.2 | 59% | 0.593 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -103.1 | 11 | -171.7 | -62 | -170.3 | -2.9 | 0 | 0 | 113.7 | T387 S392 | T387-Q390 PolarHBondContact O-N 2.91Å; T387-Q390 VanDerWaalsContact O-N 3.12Å; Q390-S392 PolarHBondContact O-N 2.93Å |
| 391 | L | 39.6 | Very low | 39.8 | Very low | 30 Ų | 30 | 73.1 Ų | 73.1 | 16% | 0.157 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -74.1 | -18.1 | -168.3 | -90.4 | 165 | 0 | 0 | 0 | 116.4 | M386 T393 Q405 | M386-L391 HydrophobicContact CB-CD2 4.31Å; M386-L391 HydrophobicContact CE-CD2 3.46Å; M386-L391 VanDerWaalsContact CE-CD2 3.46Å; M386-L391 HydrophobicContact CE-CG 4.14Å; M386-L391 HydrophobicContact SD-CD2 3.7Å; L391-T393 PolarHBondContact O-N 2.85Å; L391-T393 VanDerWaalsContact O-N 3.15Å; L391-Q405 HydrophobicContact CD1-CG 3.99Å; L391-Q405 HydrophobicContact CD2-CG 4.18Å |
| 392 | S | 31.4 | Very low | 39.2 | Very low | 113 Ų | 113 | 70.6 Ų | 70.6 | 79% | 0.79 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -72.7 | -2.9 | -173.7 | 54.1 | 0 | 0 | 0 | 0 | 115.6 | Q390 | Q390-S392 PolarHBondContact O-N 2.93Š|
| 393 | T | 34.2 | Very low | 39.3 | Very low | 93 Ų | 93 | 74.8 Ų | 74.8 | 57% | 0.571 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -139.2 | 24.2 | -170.1 | 62.4 | 0 | 0 | 0 | 0 | 115.2 | K381 L391 | K381-T393 PolarHBondContact NZ-O 2.84Å; K381-T393 PolarHBondContact NZ-OG1 3.15Å; L391-T393 PolarHBondContact O-N 2.85Å; L391-T393 VanDerWaalsContact O-N 3.15Å |
| 394 | A | 34.2 | Very low | 39.5 | Very low | 22 Ų | 22 | 74.2 Ų | 74.2 | 18% | 0.182 | 41% | 0.412 | C | S | . | . | trans | -99.2 | 138.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | K381 M386 I396 | K381-A394 HydrophobicContact CD-CB 4.43Å; M386-A394 HydrophobicContact CE-CB 3.48Å; M386-A394 VanDerWaalsContact CE-CB 3.48Å; M386-A394 HydrophobicContact SD-CB 3.97Å; A394-I396 HydrophobicContact CB-CG1 4.09Å | ||
| 395 | V | 33.3 | Very low | 39.9 | Very low | 139 Ų | 139 | 75.2 Ų | 75.2 | 84% | 0.842 | 41% | 0.414 | S | S | * | . | trans | -80.2 | 119.7 | 161.9 | 178.6 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 396 | I | 40.8 | Very low | 40.1 | Very low | 36 Ų | 36 | 80.9 Ų | 80.9 | 19% | 0.185 | 43% | 0.433 | C | S | . | . | trans | -110.3 | 105.8 | -171.6 | -63.6 | 169.8 | 0 | 0 | 0 | 108.5 | A394 N398 L402 | A394-I396 HydrophobicContact CB-CG1 4.09Å; I396-N398 VanDerWaalsContact C-N 3.33Å; I396-N398 WeakPolarHBondContact CG2-O 3.22Å; I396-N398 PolarHBondContact O-N 3.36Å; I396-L402 HydrophobicContact CB-CD1 3.92Å; I396-L402 HydrophobicContact CB-CG 4.19Å; I396-L402 HydrophobicContact CD1-CD1 4.29Å; I396-L402 HydrophobicContact CD1-CG 3.86Å; I396-L402 HydrophobicContact CG2-CB 4.1Å; I396-L402 HydrophobicContact CG2-CD1 3.99Å; I396-L402 HydrophobicContact CG2-CG 3.93Å | ||
| 397 | E | 36.9 | Very low | 40.7 | Very low | 160 Ų | 160 | 87.5 Ų | 87.5 | 75% | 0.748 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -75 | -18.1 | -174.1 | -61.9 | -179.3 | 157.5 | 0 | 0 | 113.6 | ||
| 398 | N | 39.4 | Very low | 41 | Very low | 17 Ų | 17 | 87.6 Ų | 87.6 | 9% | 0.091 | 45% | 0.451 | C | S | . | . | trans | -108.2 | 110.9 | 177 | -168.3 | -35.8 | 0 | 0 | 0 | 112 | L204 I396 E400 M401 L402 | L204-N398 HydrophobicContact CD1-CB 3.6Å; L204-N398 PolarHBondContact O-ND2 2.74Å; I396-N398 VanDerWaalsContact C-N 3.33Å; I396-N398 WeakPolarHBondContact CG2-O 3.22Å; I396-N398 PolarHBondContact O-N 3.36Å; N398-E400 VanDerWaalsContact C-N 3.3Å; N398-E400 PolarHBondContact O-N 3.47Å; N398-E400 PolarHBondContact OD1-N 3.14Å; N398-M401 HydrophobicContact CB-CB 4.25Å; N398-M401 HydrophobicContact CB-CG 4.02Å; N398-M401 PolarHBondContact O-N 2.66Å; N398-L402 PolarHBondContact O-N 2.55Å | ||
| 399 | P | 35.6 | Very low | 41.3 | Very low | 83 Ų | 83 | 85.8 Ų | 85.8 | 54% | 0.539 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.1 | -28.7 | 178.6 | -25.8 | 35.6 | 0 | 0 | 0 | 115.4 | L402 K403 | P399-L402 WeakPolarHBondContact O-CB 3.31Å; P399-L402 PolarHBondContact O-N 3.06Å; P399-K403 WeakPolarHBondContact O-CG 3.17Å; P399-K403 PolarHBondContact O-N 3.34Å; P399-K403 VanDerWaalsContact O-N 3.16Å |
| 400 | E | 41.5 | Very low | 41.9 | Very low | 110 Ų | 110 | 86.8 Ų | 86.8 | 51% | 0.514 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -76 | -35.9 | -179.5 | -65.9 | -50.8 | 130.6 | 0 | 0 | 112.3 | N398 L402 K403 Y404 | N398-E400 VanDerWaalsContact C-N 3.3Å; N398-E400 PolarHBondContact O-N 3.47Å; N398-E400 PolarHBondContact OD1-N 3.14Å; E400-L402 PolarHBondContact O-N 2.74Å; E400-K403 PolarHBondContact O-N 2.86Å; E400-K403 VanDerWaalsContact O-N 3.12Å; E400-K403 WeakPolarHBondContact OE1-CD 3.4Å; E400-K403 WeakPolarHBondContact OE1-CE 3.37Å; E400-K403 IonicContact OE1-NZ 3.8Å; E400-K403 PolarHBondContact OE1-NZ 3.12Å; E400-K403 VanDerWaalsContact OE2-CD 3.25Å; E400-K403 WeakPolarHBondContact OE2-CD 3.33Å; E400-K403 IonicContact OE2-NZ 2.66Å; E400-Y404 WeakPolarHBondContact O-CB 3.4Å; E400-Y404 PolarHBondContact O-N 3.16Å |
| 401 | M | 49.2 | Very low | 42.4 | Very low | 34 Ų | 34 | 86 Ų | 86 | 17% | 0.167 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -58.3 | -41 | 169.2 | -70.1 | -64.1 | -69.9 | 0 | 0 | 110.8 | W145 L383 N398 K403 Y404 Q405 | W145-M401 HydrophobicContact CH2-SD 4.02Å; W145-M401 HydrophobicContact CZ2-SD 3.73Å; L383-M401 HydrophobicContact CD2-CB 4.43Å; L383-M401 HydrophobicContact CD2-CG 4.45Å; N398-M401 HydrophobicContact CB-CB 4.25Å; N398-M401 HydrophobicContact CB-CG 4.02Å; N398-M401 PolarHBondContact O-N 2.66Å; M401-K403 VanDerWaalsContact C-N 3.29Å; M401-K403 PolarHBondContact O-N 3.1Å; M401-Y404 PolarHBondContact O-N 2.98Å; M401-Q405 WeakPolarHBondContact O-CB 3.36Å; M401-Q405 PolarHBondContact O-N 3.39Å |
| 402 | L | 42.2 | Very low | 42.8 | Very low | 60 Ų | 60 | 88.2 Ų | 88.2 | 31% | 0.314 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.2 | -27.5 | 177.1 | -133.1 | 171.6 | 0 | 0 | 0 | 113.4 | I396 N398 P399 E400 R406 | I396-L402 HydrophobicContact CB-CD1 3.92Å; I396-L402 HydrophobicContact CB-CG 4.19Å; I396-L402 HydrophobicContact CD1-CD1 4.29Å; I396-L402 HydrophobicContact CD1-CG 3.86Å; I396-L402 HydrophobicContact CG2-CB 4.1Å; I396-L402 HydrophobicContact CG2-CD1 3.99Å; I396-L402 HydrophobicContact CG2-CG 3.93Å; N398-L402 PolarHBondContact O-N 2.55Å; P399-L402 WeakPolarHBondContact O-CB 3.31Å; P399-L402 PolarHBondContact O-N 3.06Å; E400-L402 PolarHBondContact O-N 2.74Å; L402-R406 PolarHBondContact O-NE 3.29Å |
| 403 | K | 44.6 | Very low | 43.4 | Very low | 99 Ų | 99 | 88 Ų | 88 | 43% | 0.43 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -82.4 | -44.4 | 174.2 | -70.9 | 164 | 179.6 | 176.4 | 0 | 111.7 | P399 E400 M401 Q405 R406 R407 | P399-K403 WeakPolarHBondContact O-CG 3.17Å; P399-K403 PolarHBondContact O-N 3.34Å; P399-K403 VanDerWaalsContact O-N 3.16Å; E400-K403 PolarHBondContact O-N 2.86Å; E400-K403 VanDerWaalsContact O-N 3.12Å; E400-K403 WeakPolarHBondContact OE1-CD 3.4Å; E400-K403 WeakPolarHBondContact OE1-CE 3.37Å; E400-K403 IonicContact OE1-NZ 3.8Å; E400-K403 PolarHBondContact OE1-NZ 3.12Å; E400-K403 VanDerWaalsContact OE2-CD 3.25Å; E400-K403 WeakPolarHBondContact OE2-CD 3.33Å; E400-K403 IonicContact OE2-NZ 2.66Å; M401-K403 VanDerWaalsContact C-N 3.29Å; M401-K403 PolarHBondContact O-N 3.1Å; K403-Q405 VanDerWaalsContact C-N 3.34Å; K403-Q405 PolarHBondContact O-N 3.37Å; K403-R406 PolarHBondContact O-N 3.42Å; K403-R407 PolarHBondContact O-N 3.12Å; K403-R407 VanDerWaalsContact O-N 3.12Å |
| 404 | Y | 49.6 | Very low | 44 | Very low | 52 Ų | 52 | 87.5 Ų | 87.5 | 20% | 0.204 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -56.5 | -47.3 | 175.2 | 173.1 | -95.1 | 0 | 0 | 0 | 111.6 | A144 V161 E400 M401 R406 R407 Q408 | A144-Y404 HydrophobicContact CB-CE1 4.41Å; V161-Y404 HydrophobicContact CB-CE2 4.1Å; V161-Y404 HydrophobicContact CG1-CE2 4.46Å; V161-Y404 HydrophobicContact CG2-CE2 3.71Å; V161-Y404 VanDerWaalsContact CG2-OH 3.28Å; V161-Y404 WeakPolarHBondContact CG2-OH 3.2Å; E400-Y404 WeakPolarHBondContact O-CB 3.4Å; E400-Y404 PolarHBondContact O-N 3.16Å; M401-Y404 PolarHBondContact O-N 2.98Å; Y404-R406 PolarHBondContact O-N 3.37Å; Y404-R407 WeakPolarHBondContact O-CB 3.35Å; Y404-R407 PolarHBondContact O-N 3.38Å; Y404-R407 VanDerWaalsContact O-N 3.11Å; Y404-Q408 HydrophobicContact CE1-CG 4.28Å; Y404-Q408 PolarHBondContact O-N 3.43Å; Y404-Q408 PolarHBondContact OH-NE2 2.91Å; Y404-Q408 VanDerWaalsContact OH-NE2 3.14Å |
| 405 | Q | 47.5 | Very low | 44.5 | Very low | 38 Ų | 38 | 93.3 Ų | 93.3 | 18% | 0.178 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -66.1 | -38.9 | -178.5 | -168.5 | 159.9 | 61.1 | 0 | 0 | 113.1 | L391 M401 K403 R407 Q408 Q409 | L391-Q405 HydrophobicContact CD1-CG 3.99Å; L391-Q405 HydrophobicContact CD2-CG 4.18Å; M401-Q405 WeakPolarHBondContact O-CB 3.36Å; M401-Q405 PolarHBondContact O-N 3.39Å; K403-Q405 VanDerWaalsContact C-N 3.34Å; K403-Q405 PolarHBondContact O-N 3.37Å; Q405-R407 VanDerWaalsContact C-N 3.33Å; Q405-R407 PolarHBondContact O-N 3.45Å; Q405-Q408 PolarHBondContact O-N 3.47Å; Q405-Q409 PolarHBondContact O-N 3.22Å |
| 406 | R | 48.5 | Very low | 44.9 | Very low | 155 Ų | 155 | 93.5 Ų | 93.5 | 59% | 0.585 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -63.3 | -36.4 | 170.5 | -97.7 | -175.1 | -75 | -175.4 | -5.7 | 112.6 | L402 K403 Y404 Q410 | L402-R406 PolarHBondContact O-NE 3.29Å; K403-R406 PolarHBondContact O-N 3.42Å; Y404-R406 PolarHBondContact O-N 3.37Å; R406-Q410 WeakPolarHBondContact O-CB 3.28Å; R406-Q410 PolarHBondContact O-N 2.76Å |
| 407 | R | 51.8 | Low | 45 | Very low | 181 Ų | 181 | 94.4 Ų | 94.4 | 68% | 0.683 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -67.4 | -39 | 174.5 | -72.7 | 178.2 | 177 | 161.3 | 0.3 | 112.4 | K403 Y404 Q405 Q410 Q411 | K403-R407 PolarHBondContact O-N 3.12Å; K403-R407 VanDerWaalsContact O-N 3.12Å; Y404-R407 WeakPolarHBondContact O-CB 3.35Å; Y404-R407 PolarHBondContact O-N 3.38Å; Y404-R407 VanDerWaalsContact O-N 3.11Å; Q405-R407 VanDerWaalsContact C-N 3.33Å; Q405-R407 PolarHBondContact O-N 3.45Å; R407-Q410 PolarHBondContact O-N 3.47Å; R407-Q411 WeakPolarHBondContact O-CB 3.46Å; R407-Q411 WeakPolarHBondContact O-CG 3.39Å; R407-Q411 PolarHBondContact O-N 2.79Å |
| 408 | Q | 49.3 | Very low | 45.3 | Very low | 83 Ų | 83 | 89.2 Ų | 89.2 | 39% | 0.388 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.5 | -46.7 | 173.5 | -76.8 | -165.1 | -27.2 | 0 | 0 | 112 | Y404 Q405 Q410 Q411 Q412 | Y404-Q408 HydrophobicContact CE1-CG 4.28Å; Y404-Q408 PolarHBondContact O-N 3.43Å; Y404-Q408 PolarHBondContact OH-NE2 2.91Å; Y404-Q408 VanDerWaalsContact OH-NE2 3.14Å; Q405-Q408 PolarHBondContact O-N 3.47Å; Q408-Q410 VanDerWaalsContact C-N 3.3Å; Q408-Q410 PolarHBondContact O-N 3.14Å; Q408-Q411 PolarHBondContact O-N 3.18Å; Q408-Q412 WeakPolarHBondContact O-CB 3.35Å; Q408-Q412 WeakPolarHBondContact O-CG 3.45Å; Q408-Q412 PolarHBondContact O-N 3.36Å |
| 409 | Q | 45.2 | Very low | 45.4 | Very low | 77 Ų | 77 | 91.1 Ų | 91.1 | 36% | 0.36 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -57.2 | -43.5 | 174.9 | -77.1 | -176.2 | -26.3 | 0 | 0 | 112 | Q405 Q412 L413 | Q405-Q409 PolarHBondContact O-N 3.22Å; Q409-Q412 PolarHBondContact O-N 3.47Å; Q409-L413 WeakPolarHBondContact O-CB 3.27Å; Q409-L413 WeakPolarHBondContact O-CD1 3.32Å; Q409-L413 VanDerWaalsContact O-CG 3.3Å; Q409-L413 WeakPolarHBondContact O-CG 3.35Å; Q409-L413 PolarHBondContact O-N 3.31Å |
| 410 | Q | 47.1 | Very low | 45.6 | Very low | 113 Ų | 113 | 91.8 Ų | 91.8 | 53% | 0.528 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.6 | -53.1 | 175.7 | -162.2 | 71.8 | 55.4 | 0 | 0 | 111.1 | R406 R407 Q408 Q412 L413 D414 | R406-Q410 WeakPolarHBondContact O-CB 3.28Å; R406-Q410 PolarHBondContact O-N 2.76Å; R407-Q410 PolarHBondContact O-N 3.47Å; Q408-Q410 VanDerWaalsContact C-N 3.3Å; Q408-Q410 PolarHBondContact O-N 3.14Å; Q410-Q412 VanDerWaalsContact C-N 3.33Å; Q410-Q412 PolarHBondContact O-N 3.31Å; Q410-L413 PolarHBondContact O-N 2.96Å; Q410-L413 VanDerWaalsContact O-N 3.13Å; Q410-D414 WeakPolarHBondContact O-CB 3.38Å; Q410-D414 PolarHBondContact O-N 3.31Å |
| 411 | Q | 49.1 | Very low | 45.8 | Very low | 112 Ų | 112 | 96.4 Ų | 96.4 | 52% | 0.523 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.4 | -34.3 | -178.7 | -72.5 | 176.3 | -18 | 0 | 0 | 113.3 | R407 Q408 Q415 | R407-Q411 WeakPolarHBondContact O-CB 3.46Å; R407-Q411 WeakPolarHBondContact O-CG 3.39Å; R407-Q411 PolarHBondContact O-N 2.79Å; Q408-Q411 PolarHBondContact O-N 3.18Å; Q411-Q415 WeakPolarHBondContact O-CB 3.48Å; Q411-Q415 WeakPolarHBondContact O-CG 3.31Å; Q411-Q415 PolarHBondContact O-N 3.19Å |
| 412 | Q | 46.7 | Very low | 45.3 | Very low | 76 Ų | 76 | 102.3 Ų | 102.3 | 36% | 0.355 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -71.5 | -37 | 173.5 | -73.5 | -179.5 | -44.1 | 0 | 0 | 112.6 | E388 Q408 Q409 Q410 Q415 K416 | E388-Q412 PolarHBondContact OE1-NE2 3.08Å; E388-Q412 PolarHBondContact OE1-OE1 3.4Å; Q408-Q412 WeakPolarHBondContact O-CB 3.35Å; Q408-Q412 WeakPolarHBondContact O-CG 3.45Å; Q408-Q412 PolarHBondContact O-N 3.36Å; Q409-Q412 PolarHBondContact O-N 3.47Å; Q410-Q412 VanDerWaalsContact C-N 3.33Å; Q410-Q412 PolarHBondContact O-N 3.31Å; Q412-Q415 PolarHBondContact O-N 3.13Å; Q412-K416 WeakPolarHBondContact O-CB 3.44Å; Q412-K416 PolarHBondContact O-N 3.16Å |
| 413 | L | 45.6 | Very low | 45 | Very low | 108 Ų | 108 | 107.5 Ų | 107.5 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.8 | -39.3 | 173.1 | -77 | 165 | 0 | 0 | 0 | 111.3 | Q409 Q410 S417 | Q409-L413 WeakPolarHBondContact O-CB 3.27Å; Q409-L413 WeakPolarHBondContact O-CD1 3.32Å; Q409-L413 VanDerWaalsContact O-CG 3.3Å; Q409-L413 WeakPolarHBondContact O-CG 3.35Å; Q409-L413 PolarHBondContact O-N 3.31Å; Q410-L413 PolarHBondContact O-N 2.96Å; Q410-L413 VanDerWaalsContact O-N 3.13Å; L413-S417 VanDerWaalsContact O-CB 3.28Å; L413-S417 WeakPolarHBondContact O-CB 3.23Å; L413-S417 PolarHBondContact O-N 2.79Å; L413-S417 PolarHBondContact O-OG 2.78Å |
| 414 | D | 45.5 | Very low | 44.5 | Very low | 83 Ų | 83 | 105.9 Ų | 105.9 | 44% | 0.444 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.2 | -42 | 175.4 | -62.3 | -25.8 | 0 | 0 | 0 | 110.8 | Q410 S417 A418 | Q410-D414 WeakPolarHBondContact O-CB 3.38Å; Q410-D414 PolarHBondContact O-N 3.31Å; D414-S417 WeakPolarHBondContact CA-OG 3.42Å; D414-S417 PolarHBondContact O-OG 3.09Å; D414-S417 VanDerWaalsContact O-OG 3.09Å; D414-A418 WeakPolarHBondContact O-CB 3.45Å; D414-A418 PolarHBondContact O-N 3.3Å |
| 415 | Q | 45.2 | Very low | 43.8 | Very low | 144 Ų | 144 | 108.2 Ų | 108.2 | 67% | 0.673 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.9 | -42.4 | 174 | -75.5 | 179 | 5 | 0 | 0 | 113.3 | Q411 Q412 A418 A419 | Q411-Q415 WeakPolarHBondContact O-CB 3.48Å; Q411-Q415 WeakPolarHBondContact O-CG 3.31Å; Q411-Q415 PolarHBondContact O-N 3.19Å; Q412-Q415 PolarHBondContact O-N 3.13Å; Q415-A418 PolarHBondContact O-N 3.48Å; Q415-A419 PolarHBondContact O-N 2.59Å |
| 416 | K | 41.7 | Very low | 43.2 | Very low | 142 Ų | 142 | 110.6 Ų | 110.6 | 62% | 0.617 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.1 | -42.4 | 174.1 | -96.2 | 175.4 | 175.2 | 163.3 | 0 | 111.6 | Q412 A419 T420 | Q412-K416 WeakPolarHBondContact O-CB 3.44Å; Q412-K416 PolarHBondContact O-N 3.16Å; K416-A419 PolarHBondContact O-N 3.05Å; K416-T420 VanDerWaalsContact O-CB 3.31Å; K416-T420 WeakPolarHBondContact O-CB 3.15Å; K416-T420 PolarHBondContact O-N 3.46Å; K416-T420 PolarHBondContact O-OG1 2.59Å |
| 417 | S | 43.4 | Very low | 42.4 | Very low | 56 Ų | 56 | 109.5 Ų | 109.5 | 39% | 0.392 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -71 | -31.1 | 178.8 | 61.8 | 0 | 0 | 0 | 0 | 112.7 | L413 D414 R421 | L413-S417 VanDerWaalsContact O-CB 3.28Å; L413-S417 WeakPolarHBondContact O-CB 3.23Å; L413-S417 PolarHBondContact O-N 2.79Å; L413-S417 PolarHBondContact O-OG 2.78Å; D414-S417 WeakPolarHBondContact CA-OG 3.42Å; D414-S417 PolarHBondContact O-OG 3.09Å; D414-S417 VanDerWaalsContact O-OG 3.09Å; S417-R421 WeakPolarHBondContact O-CB 3.26Å; S417-R421 WeakPolarHBondContact O-CG 3.39Å; S417-R421 PolarHBondContact O-N 3.31Å |
| 418 | A | 43.8 | Very low | 41.3 | Very low | 51 Ų | 51 | 106 Ų | 106 | 42% | 0.421 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.5 | -54.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D414 Q415 T420 R421 E422 | D414-A418 WeakPolarHBondContact O-CB 3.45Å; D414-A418 PolarHBondContact O-N 3.3Å; Q415-A418 PolarHBondContact O-N 3.48Å; A418-T420 PolarHBondContact O-N 3.28Å; A418-R421 WeakPolarHBondContact O-CB 3.16Å; A418-R421 PolarHBondContact O-N 3.16Å; A418-E422 PolarHBondContact O-N 3.29Å; A418-E422 VanDerWaalsContact O-N 3.09Å |
| 419 | A | 39.6 | Very low | 40.3 | Very low | 56 Ų | 56 | 109.2 Ų | 109.2 | 46% | 0.463 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -59.9 | -33.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | Q415 K416 M423 | Q415-A419 PolarHBondContact O-N 2.59Å; K416-A419 PolarHBondContact O-N 3.05Å; A419-M423 PolarHBondContact O-N 3.31Å |
| 420 | T | 40.9 | Very low | 39.5 | Very low | 98 Ų | 98 | 110.3 Ų | 110.3 | 60% | 0.601 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -73.3 | -28.9 | 176.1 | -52.3 | 0 | 0 | 0 | 0 | 112.1 | K416 A418 G424 | K416-T420 VanDerWaalsContact O-CB 3.31Å; K416-T420 WeakPolarHBondContact O-CB 3.15Å; K416-T420 PolarHBondContact O-N 3.46Å; K416-T420 PolarHBondContact O-OG1 2.59Å; A418-T420 PolarHBondContact O-N 3.28Å; T420-G424 PolarHBondContact O-N 3.23Å |
| 421 | R | 45.1 | Very low | 38.6 | Very low | 206 Ų | 206 | 108.3 Ų | 108.3 | 78% | 0.777 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -72.1 | -39.2 | 173.1 | -81.4 | 174.1 | 170.6 | -178.7 | -1.4 | 112.4 | S417 A418 G424 | S417-R421 WeakPolarHBondContact O-CB 3.26Å; S417-R421 WeakPolarHBondContact O-CG 3.39Å; S417-R421 PolarHBondContact O-N 3.31Å; A418-R421 WeakPolarHBondContact O-CB 3.16Å; A418-R421 PolarHBondContact O-N 3.16Å; R421-G424 PolarHBondContact O-N 3.4Å |
| 422 | E | 39.7 | Very low | 37.6 | Very low | 159 Ų | 159 | 109.4 Ų | 109.4 | 74% | 0.743 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -64.2 | -47.4 | 175.6 | -67.4 | -172.9 | 144.8 | 0 | 0 | 111.2 | A418 G424 S425 | A418-E422 PolarHBondContact O-N 3.29Å; A418-E422 VanDerWaalsContact O-N 3.09Å; E422-G424 PolarHBondContact O-N 3.27Å; E422-G424 VanDerWaalsContact O-N 3.13Å; E422-S425 PolarHBondContact O-OG 2.99Å |
| 423 | M | 35.3 | Very low | 36.8 | Very low | 168 Ų | 168 | 111.4 Ų | 111.4 | 83% | 0.828 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -64.6 | -16.1 | 178.2 | -158.1 | 74.5 | 84.8 | 0 | 0 | 113.8 | A419 | A419-M423 PolarHBondContact O-N 3.31Å |
| 424 | G | 34.3 | Very low | 36.1 | Very low | 66 Ų | 66 | 114.1 Ų | 114.1 | 68% | 0.68 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | 2.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | T420 R421 E422 | T420-G424 PolarHBondContact O-N 3.23Å; R421-G424 PolarHBondContact O-N 3.4Å; E422-G424 PolarHBondContact O-N 3.27Å; E422-G424 VanDerWaalsContact O-N 3.13Å |
| 425 | S | 34.3 | Very low | 35.7 | Very low | 101 Ų | 101 | 113.5 Ų | 113.5 | 71% | 0.706 | 71% | 0.705 | S | S | * | * | trans | -108.7 | 9.7 | -166.8 | 63.2 | 0 | 0 | 0 | 0 | 116.1 | E422 | E422-S425 PolarHBondContact O-OG 2.99Š| ||
| 426 | A | 35.9 | Very low | 35.2 | Very low | 88 Ų | 88 | 113.8 Ų | 113.8 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | trans | -102.9 | 66.2 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 427 | T | 29.9 | Very low | 35.4 | Very low | 132 Ų | 132 | 109.5 Ų | 109.5 | 81% | 0.81 | 69% | 0.694 | S | S | * | * | trans | -150.6 | 117.9 | 160.8 | 2.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 428 | S | 30 | Very low | 35.3 | Very low | 107 Ų | 107 | 112.5 Ų | 112.5 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | trans | 45.5 | 104.8 | 149.5 | 62.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 429 | V | 27.6 | Very low | 35.5 | Very low | 150 Ų | 150 | 115.9 Ų | 115.9 | 91% | 0.909 | 71% | 0.712 | S | S | * | * | -132.2 | 133.4 | 121.3 | -176.2 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 430 | A | 28.7 | Very low | 35.8 | Very low | 101 Ų | 101 | 116.5 Ų | 116.5 | 84% | 0.835 | 71% | 0.708 | S | S | * | * | trans | -115.7 | 133.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 431 | G | 27.6 | Very low | 36.3 | Very low | 71 Ų | 71 | 115.4 Ų | 115.4 | 73% | 0.732 | 70% | 0.697 | S | S | * | * | trans | -165.3 | 57.9 | -164.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 432 | V | 28.8 | Very low | 36.5 | Very low | 135 Ų | 135 | 113.5 Ų | 113.5 | 82% | 0.818 | 69% | 0.69 | S | S | * | * | trans | 53.3 | 101.8 | 146.2 | -174.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 433 | V | 30.4 | Very low | 36.9 | Very low | 117 Ų | 117 | 110.8 Ų | 110.8 | 71% | 0.709 | 68% | 0.676 | S | S | * | * | trans | 55.8 | 102.3 | 133.5 | -174.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 434 | N | 29.7 | Very low | 37.3 | Very low | 165 Ų | 165 | 106.7 Ų | 106.7 | 88% | 0.882 | 66% | 0.658 | S | S | * | * | -163.4 | 154.6 | 96.5 | -108.5 | -41.5 | 0 | 0 | 0 | 110.1 | |||||
| 435 | G | 38.6 | Very low | 37.9 | Very low | 71 Ų | 71 | 109.2 Ų | 109.2 | 73% | 0.732 | 66% | 0.655 | S | S | * | * | trans | -130.8 | 140.8 | -166.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 436 | E | 34.3 | Very low | 38.3 | Very low | 149 Ų | 149 | 111.2 Ų | 111.2 | 70% | 0.696 | 66% | 0.657 | S | S | * | * | trans | -128.9 | 146.7 | 149.5 | -69.8 | -162.5 | 145.3 | 0 | 0 | 108.1 | ||||
| 437 | S | 46 | Very low | 38.8 | Very low | 53 Ų | 53 | 114.8 Ų | 114.8 | 37% | 0.371 | 66% | 0.656 | S | S | . | * | trans | -77.2 | 144.6 | 177 | -178.7 | 0 | 0 | 0 | 0 | 111.4 | E439 D440 I441 | S437-E439 PolarHBondContact O-N 2.83Å; S437-E439 VanDerWaalsContact O-N 3.1Å; S437-E439 PolarHBondContact OG-N 2.82Å; S437-D440 WeakPolarHBondContact CB-OD2 3.25Å; S437-D440 PolarHBondContact O-N 2.94Å; S437-I441 PolarHBondContact O-N 2.75Å; S437-I441 VanDerWaalsContact O-N 3.15Å | ||
| 438 | L | 41.7 | Very low | 39.9 | Very low | 119 Ų | 119 | 116.9 Ų | 116.9 | 62% | 0.623 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -59.2 | -22.6 | 172.8 | -149.9 | 81.3 | 0 | 0 | 0 | 112.4 | R442 | L438-R442 PolarHBondContact O-N 2.89Å |
| 439 | E | 46.9 | Very low | 40.5 | Very low | 122 Ų | 122 | 117.8 Ų | 117.8 | 57% | 0.57 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -73.3 | -35.1 | 172.2 | -61.2 | -163.7 | 143.8 | 0 | 0 | 113.2 | S437 R442 K443 | S437-E439 PolarHBondContact O-N 2.83Å; S437-E439 VanDerWaalsContact O-N 3.1Å; S437-E439 PolarHBondContact OG-N 2.82Å; E439-R442 WeakPolarHBondContact O-CB 3.46Å; E439-R442 PolarHBondContact O-N 3.01Å; E439-K443 VanDerWaalsContact O-CG 3.27Å; E439-K443 WeakPolarHBondContact O-CG 3.27Å; E439-K443 PolarHBondContact O-N 3.14Å; E439-K443 IonicContact OE2-NZ 2.87Å |
| 440 | D | 46.7 | Very low | 41.8 | Very low | 68 Ų | 68 | 116.1 Ų | 116.1 | 36% | 0.364 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -79.1 | -31.6 | -178.2 | -60.4 | -39.3 | 0 | 0 | 0 | 111 | S437 R442 K443 N444 | S437-D440 WeakPolarHBondContact CB-OD2 3.25Å; S437-D440 PolarHBondContact O-N 2.94Å; D440-R442 VanDerWaalsContact C-N 3.33Å; D440-R442 PolarHBondContact O-N 2.8Å; D440-K443 PolarHBondContact O-N 3.38Å; D440-K443 WeakPolarHBondContact OD1-CD 3.47Å; D440-K443 IonicContact OD1-NZ 3.65Å; D440-K443 PolarHBondContact OD1-NZ 3.16Å; D440-N444 VanDerWaalsContact O-CB 3.32Å; D440-N444 WeakPolarHBondContact O-CB 3.14Å; D440-N444 PolarHBondContact O-N 2.95Å; D440-N444 PolarHBondContact O-ND2 2.71Å |
| 441 | I | 51.1 | Low | 42.8 | Very low | 75 Ų | 75 | 115 Ų | 115 | 39% | 0.385 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -58 | -45.9 | 165 | -61.7 | 174.3 | 0 | 0 | 0 | 110.2 | S437 N444 L445 | S437-I441 PolarHBondContact O-N 2.75Å; S437-I441 VanDerWaalsContact O-N 3.15Å; I441-N444 PolarHBondContact O-N 2.86Å; I441-L445 HydrophobicContact CG2-CD1 4.11Å; I441-L445 WeakPolarHBondContact O-CG 3.05Å; I441-L445 PolarHBondContact O-N 2.63Å |
| 442 | R | 48.3 | Very low | 44.3 | Very low | 167 Ų | 167 | 116.2 Ų | 116.2 | 63% | 0.63 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63.1 | -44 | 174.5 | -79.6 | 179.9 | 168.5 | 136.2 | -2.1 | 112.8 | L438 E439 D440 N444 L445 L446 | L438-R442 PolarHBondContact O-N 2.89Å; E439-R442 WeakPolarHBondContact O-CB 3.46Å; E439-R442 PolarHBondContact O-N 3.01Å; D440-R442 VanDerWaalsContact C-N 3.33Å; D440-R442 PolarHBondContact O-N 2.8Å; R442-N444 VanDerWaalsContact C-N 3.33Å; R442-N444 PolarHBondContact O-N 2.8Å; R442-L445 PolarHBondContact O-N 3.4Å; R442-L446 WeakPolarHBondContact O-CG 3.49Å; R442-L446 PolarHBondContact O-N 3.31Å |
| 443 | K | 49.1 | Very low | 45.2 | Very low | 102 Ų | 102 | 116.9 Ų | 116.9 | 44% | 0.443 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -64.9 | -34.1 | 177.1 | -69.1 | 164.9 | -156.1 | 153.9 | 0 | 112.5 | E439 D440 | E439-K443 VanDerWaalsContact O-CG 3.27Å; E439-K443 WeakPolarHBondContact O-CG 3.27Å; E439-K443 PolarHBondContact O-N 3.14Å; E439-K443 IonicContact OE2-NZ 2.87Å; D440-K443 PolarHBondContact O-N 3.38Å; D440-K443 WeakPolarHBondContact OD1-CD 3.47Å; D440-K443 IonicContact OD1-NZ 3.65Å; D440-K443 PolarHBondContact OD1-NZ 3.16Å |
| 444 | N | 44.3 | Very low | 46.4 | Very low | 82 Ų | 82 | 115.7 Ų | 115.7 | 44% | 0.439 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -77.5 | -36.2 | 177.7 | -77.7 | -31.4 | 0 | 0 | 0 | 112.7 | D440 I441 R442 L446 K447 | D440-N444 VanDerWaalsContact O-CB 3.32Å; D440-N444 WeakPolarHBondContact O-CB 3.14Å; D440-N444 PolarHBondContact O-N 2.95Å; D440-N444 PolarHBondContact O-ND2 2.71Å; I441-N444 PolarHBondContact O-N 2.86Å; R442-N444 VanDerWaalsContact C-N 3.33Å; R442-N444 PolarHBondContact O-N 2.8Å; N444-L446 VanDerWaalsContact C-N 3.28Å; N444-L446 PolarHBondContact O-N 3.17Å; N444-K447 PolarHBondContact O-N 2.93Å; N444-K447 VanDerWaalsContact O-N 3.12Å |
| 445 | L | 45.6 | Very low | 47.7 | Very low | 118 Ų | 118 | 112.9 Ų | 112.9 | 62% | 0.618 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61.6 | -36.6 | 171.5 | -75.4 | 167.8 | 0 | 0 | 0 | 112.1 | I441 R442 K447 | I441-L445 HydrophobicContact CG2-CD1 4.11Å; I441-L445 WeakPolarHBondContact O-CG 3.05Å; I441-L445 PolarHBondContact O-N 2.63Å; R442-L445 PolarHBondContact O-N 3.4Å; L445-K447 PolarHBondContact O-N 3.26Å |
| 446 | L | 43.9 | Very low | 48.6 | Very low | 143 Ų | 143 | 116.3 Ų | 116.3 | 75% | 0.749 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -12.5 | 175.1 | -73.1 | 167.1 | 0 | 0 | 0 | 114.4 | R442 N444 | R442-L446 WeakPolarHBondContact O-CG 3.49Å; R442-L446 PolarHBondContact O-N 3.31Å; N444-L446 VanDerWaalsContact C-N 3.28Å; N444-L446 PolarHBondContact O-N 3.17Å |
| 447 | K | 45.7 | Very low | 49.7 | Very low | 163 Ų | 163 | 111.3 Ų | 111.3 | 71% | 0.709 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -3.8 | -179.6 | -78.2 | 178.2 | 178.9 | 171.9 | 0 | 115.3 | N444 L445 | N444-K447 PolarHBondContact O-N 2.93Å; N444-K447 VanDerWaalsContact O-N 3.12Å; L445-K447 PolarHBondContact O-N 3.26Å |
| 448 | K | 52.1 | Low | 50.1 | Low | 177 Ų | 177 | 118.7 Ų | 118.7 | 77% | 0.77 | 60% | 0.597 | S | S | * | * | trans | -112.3 | 54.8 | 176.2 | -81.9 | -170.3 | 173.8 | 179.6 | 0 | 113.2 | ||||
| 449 | Q | 44.3 | Very low | 50.9 | Low | 125 Ų | 125 | 120 Ų | 120 | 58% | 0.584 | 59% | 0.594 | S | S | * | * | trans | -99.7 | 107.6 | 165.5 | -173.8 | 170.2 | 71.7 | 0 | 0 | 109.4 | E451 I461 | Q449-E451 PolarHBondContact O-N 3.17Å; Q449-I461 HydrophobicContact CG-CG2 3.98Å | ||
| 450 | V | 54.2 | Low | 51 | Low | 115 Ų | 115 | 124.2 Ų | 124.2 | 70% | 0.697 | 61% | 0.605 | S | S | * | * | trans | -84.5 | 103.8 | 178.9 | -178.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 451 | E | 50.3 | Low | 51.5 | Low | 78 Ų | 78 | 125 Ų | 125 | 36% | 0.364 | 61% | 0.608 | S | S | . | * | trans | -74.1 | 121.7 | 166.2 | -78 | -164 | 146.9 | 0 | 0 | 110.2 | Q449 R459 I461 | Q449-E451 PolarHBondContact O-N 3.17Å; E451-R459 WeakPolarHBondContact OE1-CD 3.42Å; E451-R459 IonicContact OE1-CZ 3.73Å; E451-R459 IonicContact OE1-NE 2.81Å; E451-R459 IonicContact OE1-NH1 3.69Å; E451-R459 PolarHBondContact OE1-NH1 2.71Å; E451-R459 WeakPolarHBondContact OE2-CD 3.29Å; E451-R459 IonicContact OE2-CZ 3.73Å; E451-R459 IonicContact OE2-NE 3.8Å; E451-R459 IonicContact OE2-NH1 2.88Å; E451-R459 PolarHBondContact OE2-NH1 3.02Å; E451-I461 HydrophobicContact CG-CG1 4.1Å | ||
| 452 | T | 58.9 | Low | 51 | Low | 97 Ų | 97 | 127 Ų | 127 | 60% | 0.595 | 62% | 0.624 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.2 | 124.3 | 167 | -46.7 | 0 | 0 | 0 | 0 | 109 | R460 | T452-R460 PolarHBondContact O-N 3.4Å |
| 453 | R | 47.3 | Very low | 50.6 | Low | 148 Ų | 148 | 124.6 Ų | 124.6 | 56% | 0.558 | 63% | 0.63 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.7 | 141.1 | 171.6 | -65.6 | -169.6 | -175 | -170.2 | 5.2 | 110.6 | R459 | R453-R459 HydrophobicContact CG-CG 4.44Å |
| 454 | T | 55.9 | Low | 50.1 | Low | 92 Ų | 92 | 126.9 Ų | 126.9 | 56% | 0.564 | 65% | 0.646 | S | S | * | * | trans | -87.4 | 168.3 | 163.3 | 54.2 | 0 | 0 | 0 | 0 | 110.4 | D456 G457 | T454-D456 PolarHBondContact O-N 2.86Å; T454-G457 PolarHBondContact O-N 3.46Å; T454-G457 VanDerWaalsContact O-N 3.1Å | ||
| 455 | A | 56.8 | Low | 49.6 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 88% | 0.884 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | -34.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G457 | A455-G457 PolarHBondContact O-N 2.9Š|
| 456 | D | 56.8 | Low | 49.2 | Very low | 143 Ų | 143 | 129.7 Ų | 129.7 | 77% | 0.765 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 22.2 | 177.7 | -53 | -51.9 | 0 | 0 | 0 | 114.3 | T454 R458 | T454-D456 PolarHBondContact O-N 2.86Å; D456-R458 PolarHBondContact O-N 3.18Å |
| 457 | G | 57.6 | Low | 48.6 | Very low | 44 Ų | 44 | 127.3 Ų | 127.3 | 45% | 0.454 | 67% | 0.67 | S | S | . | * | S | Bend | trans | 70.7 | -12 | 167.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | T454 A455 | T454-G457 PolarHBondContact O-N 3.46Å; T454-G457 VanDerWaalsContact O-N 3.1Å; A455-G457 PolarHBondContact O-N 2.9Å |
| 458 | R | 54.1 | Low | 47.9 | Very low | 207 Ų | 207 | 128.4 Ų | 128.4 | 78% | 0.781 | 68% | 0.678 | S | S | * | * | trans | -72.2 | 137.9 | 177.6 | -66.6 | -174 | 178.7 | -169.4 | -0.4 | 110.9 | D456 | D456-R458 PolarHBondContact O-N 3.18Š| ||
| 459 | R | 58.4 | Low | 46.8 | Very low | 146 Ų | 146 | 128 Ų | 128 | 55% | 0.551 | 68% | 0.683 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.5 | 145.4 | 179.3 | -44.5 | -162.9 | -166.6 | -171.9 | 7.9 | 110.7 | E451 R453 | E451-R459 WeakPolarHBondContact OE1-CD 3.42Å; E451-R459 IonicContact OE1-CZ 3.73Å; E451-R459 IonicContact OE1-NE 2.81Å; E451-R459 IonicContact OE1-NH1 3.69Å; E451-R459 PolarHBondContact OE1-NH1 2.71Å; E451-R459 WeakPolarHBondContact OE2-CD 3.29Å; E451-R459 IonicContact OE2-CZ 3.73Å; E451-R459 IonicContact OE2-NE 3.8Å; E451-R459 IonicContact OE2-NH1 2.88Å; E451-R459 PolarHBondContact OE2-NH1 3.02Å; R453-R459 HydrophobicContact CG-CG 4.44Å |
| 460 | R | 49.6 | Very low | 46 | Very low | 211 Ų | 211 | 129.8 Ų | 129.8 | 80% | 0.796 | 70% | 0.697 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -127.3 | 145.1 | 161.2 | -77.7 | -171.4 | 174.4 | -132.8 | 2 | 109.9 | T452 | T452-R460 PolarHBondContact O-N 3.4Å |
| 461 | I | 58 | Low | 44.7 | Very low | 86 Ų | 86 | 131 Ų | 131 | 44% | 0.441 | 71% | 0.705 | S | S | . | * | trans | -121.1 | 130.1 | 177.2 | -69.7 | 171.6 | 0 | 0 | 0 | 107 | Q449 E451 | Q449-I461 HydrophobicContact CG-CG2 3.98Å; E451-I461 HydrophobicContact CG-CG1 4.1Å | ||
| 462 | T | 40.7 | Very low | 43.6 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 72% | 0.718 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 122.7 | 174.3 | -53.9 | 0 | 0 | 0 | 0 | 108.9 | ||
| 463 | P | 38.1 | Very low | 42.2 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 75% | 0.747 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 140.7 | 175.6 | 30.1 | -33.6 | 0 | 0 | 0 | 111 | ||
| 464 | L | 39.4 | Very low | 41.2 | Very low | 151 Ų | 151 | 134.9 Ų | 134.9 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 131.5 | 168.6 | -81.5 | 163.2 | 0 | 0 | 0 | 109.3 | ||
| 465 | C | 34.4 | Very low | 39.7 | Very low | 130 Ų | 130 | 136.3 Ų | 136.3 | 88% | 0.878 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 128.8 | 171.5 | -169.3 | 0 | 0 | 0 | 0 | 109.6 | ||
| 466 | I | 37.4 | Very low | 38.5 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 66% | 0.662 | 75% | 0.753 | S | S | * | * | trans | -108.7 | 113.8 | 173.2 | -58.7 | 176.5 | 0 | 0 | 0 | 107 | Q468 | I466-Q468 PolarHBondContact O-N 3.11Š| ||
| 467 | A | 31.3 | Very low | 37.1 | Very low | 93 Ų | 93 | 134.4 Ų | 134.4 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 123.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 468 | Q | 30.9 | Very low | 35.8 | Very low | 186 Ų | 186 | 141.3 Ų | 141.3 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 149.3 | 164.7 | -81.6 | -178.5 | -118.9 | 0 | 0 | 109.6 | I466 | I466-Q468 PolarHBondContact O-N 3.11Š|
| 469 | L | 28.2 | Very low | 34.4 | Very low | 167 Ų | 167 | 141 Ų | 141 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 147.6 | -176.4 | -77.9 | 70.6 | 0 | 0 | 0 | 111.7 | ||
| 470 | D | 28.3 | Very low | 32.9 | Very low | 163 Ų | 163 | 140.9 Ų | 140.9 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 136.1 | 176.3 | -75.8 | -63.8 | 0 | 0 | 0 | 113.5 | ||
| 471 | T | 26.6 | Very low | 31.8 | Very low | 142 Ų | 142 | 136.6 Ų | 136.6 | 87% | 0.871 | 78% | 0.783 | S | S | * | * | trans | -164 | 111.2 | 151.3 | -6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 472 | G | 27.4 | Very low | 30.6 | Very low | 68 Ų | 68 | 139.3 Ų | 139.3 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 83.4 | 117 | 159.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 473 | D | 28.6 | Very low | 30.3 | Very low | 158 Ų | 158 | 139.1 Ų | 139.1 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | 38.1 | 86.3 | 142.6 | -60 | -13.9 | 0 | 0 | 0 | 120 | ||||
| 474 | F | 27.5 | Very low | 29.8 | Very low | 178 Ų | 178 | 140.9 Ų | 140.9 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | trans | -141.4 | 132.4 | 143.1 | -91.9 | -71.9 | 0 | 0 | 0 | 112.9 | ||||
| 475 | S | 24.4 | Very low | 29.1 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -98.6 | 128.6 | 167.4 | -175.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 476 | T | 30.5 | Very low | 28.7 | Very low | 132 Ų | 132 | 137.3 Ų | 137.3 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -114.3 | 152.2 | -173.2 | 53.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 477 | A | 27.7 | Very low | 28.1 | Very low | 79 Ų | 79 | 136.7 Ų | 136.7 | 65% | 0.653 | 81% | 0.809 | S | S | * | * | trans | -130.6 | 141.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 478 | F | 29.4 | Very low | 27.9 | Very low | 189 Ų | 189 | 140 Ų | 140 | 83% | 0.829 | 81% | 0.813 | S | S | * | * | trans | 107 | 139.3 | 155.6 | -62.8 | -70.5 | 0 | 0 | 0 | 121.3 | ||||
| 479 | F | 25.4 | Very low | 27.6 | Very low | 201 Ų | 201 | 136 Ų | 136 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | trans | 77.6 | 138.1 | 167.8 | -73.6 | -74.2 | 0 | 0 | 0 | 121 | ||||
| 480 | N | 27.8 | Very low | 27.5 | Very low | 143 Ų | 143 | 131.2 Ų | 131.2 | 77% | 0.765 | 80% | 0.803 | S | S | * | * | trans | -110.2 | 144.8 | -173.3 | -71.5 | -29.5 | 0 | 0 | 0 | 111.4 | ||||
| 481 | S | 26.3 | Very low | 27.5 | Very low | 120 Ų | 120 | 130 Ų | 130 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | -162.3 | 147.4 | 142.3 | 54.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 482 | I | 31.6 | Very low | 27.4 | Very low | 144 Ų | 144 | 130.6 Ų | 130.6 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | trans | -120.6 | 153 | 175.3 | -25.7 | 178.1 | 0 | 0 | 0 | 107.4 | ||||
| 483 | P | 34.5 | Very low | 27.4 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | -150 | 139.9 | 97.8 | 35.1 | -16.5 | 0 | 0 | 0 | 117.6 | |||||
| 484 | L | 27.1 | Very low | 27.3 | Very low | 153 Ų | 153 | 131.4 Ų | 131.4 | 80% | 0.801 | 79% | 0.792 | S | S | * | * | trans | 71.7 | 135.9 | 136.7 | -66.6 | 170.5 | 0 | 0 | 0 | 124 | ||||
| 485 | S | 26.3 | Very low | 27.3 | Very low | 121 Ų | 121 | 127.1 Ų | 127.1 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | 81.5 | 121.6 | 144.2 | -63.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 486 | G | 25.1 | Very low | 27.5 | Very low | 84 Ų | 84 | 129.6 Ų | 129.6 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | trans | 168.7 | 137.4 | 167 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 487 | S | 24.8 | Very low | 27.3 | Very low | 116 Ų | 116 | 128.8 Ų | 128.8 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | -136 | 175.9 | -176 | -169.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 488 | L | 27.2 | Very low | 27.4 | Very low | 163 Ų | 163 | 130.2 Ų | 130.2 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | 81.3 | 130.2 | -178.2 | -49.6 | 166.1 | 0 | 0 | 0 | 113.7 | ||||
| 489 | A | 25.4 | Very low | 28 | Very low | 102 Ų | 102 | 127.1 Ų | 127.1 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | cis | 108.1 | 125.4 | 15.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 490 | G | 25.8 | Very low | 28.1 | Very low | 67 Ų | 67 | 125.2 Ų | 125.2 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | trans | 133.2 | 98.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 491 | T | 27 | Very low | 27.9 | Very low | 137 Ų | 137 | 125.5 Ų | 125.5 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | 83.8 | 120.9 | 76.8 | 43 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 492 | M | 26.1 | Very low | 27.8 | Very low | 155 Ų | 155 | 126.2 Ų | 126.2 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | 85.7 | 129 | 142.4 | -66.8 | -52.1 | -179.7 | 0 | 0 | 124.1 | ||||
| 493 | L | 26.2 | Very low | 28.7 | Very low | 142 Ų | 142 | 124.2 Ų | 124.2 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | trans | 62.7 | 121.5 | 137.2 | -60.1 | 171.3 | 0 | 0 | 0 | 119.2 | ||||
| 494 | S | 27.1 | Very low | 28.1 | Very low | 101 Ų | 101 | 127.3 Ų | 127.3 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | 68.9 | 141.6 | 71.8 | 96.4 | 0 | 0 | 0 | 0 | 114 | |||||
| 495 | S | 28.3 | Very low | 28.1 | Very low | 87 Ų | 87 | 127.2 Ų | 127.2 | 61% | 0.608 | 78% | 0.78 | S | S | * | * | cis | -160.1 | -149.3 | 13.2 | 60.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 496 | H | 28.5 | Very low | 28.3 | Very low | 174 Ų | 174 | 126.6 Ų | 126.6 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | trans | 82 | 143.5 | 173.9 | -50.2 | -73.8 | 0 | 0 | 0 | 118.4 | ||||
| 497 | S | 26.5 | Very low | 28.4 | Very low | 115 Ų | 115 | 128 Ų | 128 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | cis | -166.5 | 152 | -17.6 | 47.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 498 | S | 29.8 | Very low | 28.4 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | -114.2 | 166.7 | 168.6 | 57.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 499 | P | 40.7 | Very low | 29.4 | Very low | 125 Ų | 125 | 125.8 Ų | 125.8 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | trans | -142.1 | 176.6 | 147.5 | 39.5 | -26.4 | 0 | 0 | 0 | 114.1 | ||||
| 500 | Q | 27.5 | Very low | 29.4 | Very low | 161 Ų | 161 | 127.9 Ų | 127.9 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | -160.8 | -174.4 | -71 | -137.9 | -173.3 | -5.1 | 0 | 0 | 110.3 | |||||
| 501 | L | 23.3 | Very low | 29.5 | Very low | 149 Ų | 149 | 128.5 Ų | 128.5 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | trans | 83.3 | 122 | 173.3 | -51 | 167.9 | 0 | 0 | 0 | 115.5 | ||||
| 502 | L | 24.5 | Very low | 29.5 | Very low | 134 Ų | 134 | 132.3 Ų | 132.3 | 70% | 0.702 | 76% | 0.759 | S | S | * | * | cis | 84.4 | 157.8 | 19.3 | -52.1 | 173.6 | 0 | 0 | 0 | 115.9 | ||||
| 503 | P | 50.3 | Low | 29.4 | Very low | 103 Ų | 103 | 128.2 Ų | 128.2 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | cis | -142.9 | -173.3 | -46.7 | 41.1 | -25.1 | 0 | 0 | 0 | 113.4 | ||||
| 504 | L | 23.4 | Very low | 29.5 | Very low | 177 Ų | 177 | 126.7 Ų | 126.7 | 93% | 0.927 | 76% | 0.764 | S | S | * | * | trans | -159.2 | 169.1 | 136.1 | -135.3 | 73.2 | 0 | 0 | 0 | 112.1 | ||||
| 505 | D | 25.7 | Very low | 29.4 | Very low | 151 Ų | 151 | 127.4 Ų | 127.4 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | trans | -149.4 | -173.6 | -151.3 | -139.9 | -36.1 | 0 | 0 | 0 | 114.5 | ||||
| 506 | S | 31.1 | Very low | 29.4 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | 84.1 | 147.1 | 167.3 | 78.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 507 | S | 26.2 | Very low | 29.8 | Very low | 114 Ų | 114 | 129.6 Ų | 129.6 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | cis | -158.3 | 171.2 | -6.2 | 40.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 508 | T | 25.6 | Very low | 29.6 | Very low | 131 Ų | 131 | 129.5 Ų | 129.5 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -103.5 | -155.5 | -173.4 | 58.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 509 | P | 48.6 | Very low | 29.4 | Very low | 100 Ų | 100 | 130.2 Ų | 130.2 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | cis | -141 | -163.9 | -11.3 | 34.8 | -10.1 | 0 | 0 | 0 | 116.8 | ||||
| 510 | N | 25.8 | Very low | 28.5 | Very low | 147 Ų | 147 | 132.8 Ų | 132.8 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | trans | 101.8 | 152.5 | 154.2 | -63.4 | -12.4 | 0 | 0 | 0 | 121.2 | ||||
| 511 | S | 27.8 | Very low | 29 | Very low | 80 Ų | 80 | 130.9 Ų | 130.9 | 56% | 0.559 | 78% | 0.778 | S | S | * | * | cis | -179.6 | 143 | -44.4 | 55.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 512 | F | 26.7 | Very low | 29.1 | Very low | 217 Ų | 217 | 129.7 Ų | 129.7 | 95% | 0.952 | 78% | 0.776 | S | S | * | * | trans | 64.4 | 151.2 | 167.5 | -56.2 | -75.3 | 0 | 0 | 0 | 119.1 | ||||
| 513 | G | 24.4 | Very low | 29.3 | Very low | 69 Ų | 69 | 129.7 Ų | 129.7 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | cis | 168.9 | 152.7 | -11.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 514 | A | 27.1 | Very low | 28.2 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | trans | 66.3 | 157.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 515 | S | 24.9 | Very low | 28.4 | Very low | 117 Ų | 117 | 125.2 Ų | 125.2 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | cis | -155.3 | 173.8 | -8.4 | 48.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 516 | K | 29.9 | Very low | 28.4 | Very low | 196 Ų | 196 | 123.9 Ų | 123.9 | 85% | 0.852 | 78% | 0.781 | S | S | * | * | trans | -81.6 | -179.1 | 166.6 | -65.9 | -174.6 | 175.4 | -177.8 | 0 | 111.4 | ||||
| 517 | P | 36.6 | Very low | 28.2 | Very low | 111 Ų | 111 | 123.5 Ų | 123.5 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | cis | -142 | 179.7 | 5.6 | 44.8 | -25.7 | 0 | 0 | 0 | 119 | ||||
| 518 | C | 22.8 | Very low | 28.2 | Very low | 113 Ų | 113 | 129.7 Ų | 129.7 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | trans | 48.3 | 132.4 | 145.1 | -74.1 | 0 | 0 | 0 | 0 | 127.3 | ||||
| 519 | T | 24.4 | Very low | 29 | Very low | 123 Ų | 123 | 129 Ų | 129 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | 65 | 119.9 | 135.6 | 54.9 | 0 | 0 | 0 | 0 | 125 | ||||
| 520 | E | 21.7 | Very low | 28.2 | Very low | 179 Ų | 179 | 129.2 Ų | 129.2 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | trans | 62.8 | 171.6 | 140.9 | -85.5 | -171.7 | -154 | 0 | 0 | 119.9 | ||||
| 521 | P | 39.1 | Very low | 28.3 | Very low | 121 Ų | 121 | 125.7 Ų | 125.7 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | cis | -131.5 | -136.5 | 12 | 44.7 | -25.5 | 0 | 0 | 0 | 115.9 | ||||
| 522 | V | 25.4 | Very low | 28.5 | Very low | 124 Ų | 124 | 129.5 Ų | 129.5 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | trans | -134.1 | 142 | -153.1 | 161.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 523 | V | 28 | Very low | 28.8 | Very low | 134 Ų | 134 | 124.4 Ų | 124.4 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | 25 | 122.9 | 153.4 | -178.5 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 524 | A | 27 | Very low | 29.2 | Very low | 96 Ų | 96 | 127 Ų | 127 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | trans | -171.6 | 143.4 | 133.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 525 | A | 27.3 | Very low | 29.2 | Very low | 89 Ų | 89 | 129.3 Ų | 129.3 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | cis | 109.3 | 109.8 | 12.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 526 | S | 26.1 | Very low | 29.5 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | 156.7 | 169.1 | 138 | 58.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 527 | A | 26.9 | Very low | 29.4 | Very low | 100 Ų | 100 | 130.9 Ų | 130.9 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | 82.5 | 133.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 528 | R | 25.8 | Very low | 29.2 | Very low | 243 Ų | 243 | 130.5 Ų | 130.5 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | trans | -119.5 | 175.2 | 165.6 | -97.8 | -175.8 | 176.2 | -175.1 | -0.3 | 106.4 | ||||
| 529 | P | 43.4 | Very low | 29.6 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | cis | -145.2 | -175.7 | 23.5 | 44 | -24.5 | 0 | 0 | 0 | 118 | ||||
| 530 | A | 31.1 | Very low | 29.7 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 88% | 0.876 | 81% | 0.812 | S | S | * | * | trans | 74.4 | 132.7 | 151.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 531 | G | 28.8 | Very low | 30 | Very low | 73 Ų | 73 | 131.1 Ų | 131.1 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | trans | 137.5 | 104.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 532 | D | 30.8 | Very low | 29.3 | Very low | 159 Ų | 159 | 131.3 Ų | 131.3 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | 45.4 | 120.9 | 152.7 | -59.5 | -13.7 | 0 | 0 | 0 | 124.9 | ||||
| 533 | S | 32.6 | Very low | 29.4 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | 31.3 | 147.4 | 138.6 | 65.9 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 534 | V | 33.8 | Very low | 29.3 | Very low | 123 Ų | 123 | 130.1 Ų | 130.1 | 75% | 0.745 | 80% | 0.802 | S | S | * | * | cis | 175.4 | 125.6 | -39.2 | 138.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 535 | N | 27.3 | Very low | 30.3 | Very low | 159 Ų | 159 | 131.2 Ų | 131.2 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | trans | -173.6 | 150.9 | 134.5 | -103.7 | -45 | 0 | 0 | 0 | 113.1 | ||||
| 536 | K | 30 | Very low | 30.1 | Very low | 192 Ų | 192 | 132 Ų | 132 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | -81.4 | 172.2 | -163 | -66.7 | 172.9 | 177.6 | 176.5 | 0 | 115.7 | ||||
| 537 | D | 28.7 | Very low | 30.1 | Very low | 154 Ų | 154 | 130.6 Ų | 130.6 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | cis | -171.5 | 175.3 | -47 | -138.6 | -40.6 | 0 | 0 | 0 | 109.5 | ||||
| 538 | S | 32.4 | Very low | 29.9 | Very low | 102 Ų | 102 | 134 Ų | 134 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | trans | -119.5 | 157.3 | -164.5 | -63.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 539 | M | 30.8 | Very low | 30 | Very low | 182 Ų | 182 | 127.3 Ų | 127.3 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | trans | 34.3 | 131.6 | 148.1 | -62.9 | -170.2 | 177.8 | 0 | 0 | 123.9 | ||||
| 540 | N | 27 | Very low | 30.2 | Very low | 162 Ų | 162 | 126.8 Ų | 126.8 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | trans | 19.3 | 131.5 | 143.3 | -74.6 | -3.6 | 0 | 0 | 0 | 121.9 | ||||
| 541 | A | 27.9 | Very low | 30 | Very low | 84 Ų | 84 | 126.9 Ų | 126.9 | 69% | 0.694 | 79% | 0.788 | S | S | * | * | 176.6 | 158.8 | 97.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 542 | T | 25 | Very low | 30.2 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 77% | 0.767 | 79% | 0.788 | S | S | * | * | trans | 52.8 | 107.8 | 154.8 | 36.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 543 | S | 27.6 | Very low | 30.1 | Very low | 102 Ų | 102 | 128.4 Ų | 128.4 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | 73.8 | 137.9 | 89.1 | 80 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 544 | T | 25.7 | Very low | 29.8 | Very low | 131 Ų | 131 | 129.7 Ų | 129.7 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | cis | -138.5 | -145.8 | 29.3 | 57.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 545 | P | 46.9 | Very low | 29.4 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | -125.5 | 159 | -130.8 | 36.7 | -14.6 | 0 | 0 | 0 | 117.9 | ||||
| 546 | A | 23.1 | Very low | 30.2 | Very low | 106 Ų | 106 | 127.2 Ų | 127.2 | 88% | 0.876 | 78% | 0.779 | S | S | * | * | trans | -152.8 | 152.2 | 155.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 547 | A | 26.5 | Very low | 30.2 | Very low | 93 Ų | 93 | 123.4 Ų | 123.4 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -119.7 | 150.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 548 | L | 23.8 | Very low | 30.1 | Very low | 173 Ų | 173 | 124.5 Ų | 124.5 | 91% | 0.906 | 77% | 0.774 | S | S | * | * | 178.2 | 162.3 | 128.6 | -93.4 | 160.8 | 0 | 0 | 0 | 111.4 | |||||
| 549 | S | 26.5 | Very low | 29.9 | Very low | 101 Ų | 101 | 127 Ų | 127 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | -104.2 | -167.9 | -179.6 | 59.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 550 | P | 47.9 | Very low | 29.6 | Very low | 105 Ų | 105 | 126.7 Ų | 126.7 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | cis | -144.2 | -173.7 | 3.2 | 43.1 | -23.6 | 0 | 0 | 0 | 117.5 | ||||
| 551 | S | 28.1 | Very low | 30.5 | Very low | 108 Ų | 108 | 123.6 Ų | 123.6 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | 77.7 | 157.3 | 144.4 | 84.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 552 | V | 31.1 | Very low | 30.2 | Very low | 125 Ų | 125 | 127 Ų | 127 | 76% | 0.758 | 77% | 0.767 | S | S | * | * | cis | -167 | 150.2 | -14 | 123.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 553 | L | 30.3 | Very low | 30.2 | Very low | 139 Ų | 139 | 129.5 Ų | 129.5 | 73% | 0.728 | 77% | 0.767 | S | S | * | * | trans | 47 | 148.4 | 162 | -95.8 | 74 | 0 | 0 | 0 | 123 | ||||
| 554 | T | 25.4 | Very low | 30.1 | Very low | 138 Ų | 138 | 129 Ų | 129 | 85% | 0.847 | 77% | 0.769 | S | S | * | * | -166.2 | 171.3 | 85 | 23.5 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 555 | T | 26.2 | Very low | 30 | Very low | 121 Ų | 121 | 131.9 Ų | 131.9 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | trans | -122.1 | -179.8 | -175.2 | 62.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 556 | P | 43.2 | Very low | 29.2 | Very low | 108 Ų | 108 | 132.5 Ų | 132.5 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | -165.9 | 136.9 | 87 | 40.2 | -16.7 | 0 | 0 | 0 | 121.5 | |||||
| 557 | S | 30.2 | Very low | 29.5 | Very low | 113 Ų | 113 | 131.7 Ų | 131.7 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | trans | 57.9 | 171.3 | 139.6 | 74.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 558 | K | 27.3 | Very low | 29.6 | Very low | 177 Ų | 177 | 138.4 Ų | 138.4 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | cis | -167.1 | 126.4 | 19.5 | -160.3 | 174.3 | 175.1 | -178.8 | 0 | 116.9 | ||||
| 559 | I | 27.1 | Very low | 29.6 | Very low | 153 Ų | 153 | 139.7 Ų | 139.7 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | 68.8 | 146.8 | 140 | -59.7 | 177 | 0 | 0 | 0 | 125.4 | ||||
| 560 | E | 23.9 | Very low | 30 | Very low | 177 Ų | 177 | 140.2 Ų | 140.2 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | trans | -72.1 | -163.4 | 178.8 | -121.4 | 179.4 | -160.4 | 0 | 0 | 117.7 | ||||
| 561 | P | 46.6 | Very low | 29.2 | Very low | 97 Ų | 97 | 141.7 Ų | 141.7 | 63% | 0.63 | 76% | 0.756 | S | S | * | * | cis | -145 | -170.8 | -7.9 | 37.7 | -14.1 | 0 | 0 | 0 | 119.8 | ||||
| 562 | M | 21.9 | Very low | 29.1 | Very low | 155 Ų | 155 | 146.1 Ų | 146.1 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | trans | 105.1 | 116.2 | 142.1 | -85.1 | -176.8 | 48.8 | 0 | 0 | 126.6 | ||||
| 563 | K | 25.1 | Very low | 29.2 | Very low | 177 Ų | 177 | 144.6 Ų | 144.6 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | trans | 46.7 | 128.2 | 136 | -61 | -172.5 | -171.1 | 178 | 0 | 126.5 | ||||
| 564 | A | 25.2 | Very low | 29.3 | Very low | 92 Ų | 92 | 147.8 Ų | 147.8 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | 170.9 | 121.7 | 120.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 565 | F | 24 | Very low | 29.5 | Very low | 192 Ų | 192 | 145.5 Ų | 145.5 | 84% | 0.842 | 75% | 0.754 | S | S | * | * | 56.1 | 133.8 | 84.5 | -82.4 | -99.3 | 0 | 0 | 0 | 117 | |||||
| 566 | D | 29.4 | Very low | 29.8 | Very low | 133 Ų | 133 | 146.1 Ų | 146.1 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | cis | -172.1 | 172.2 | -17.8 | -166.2 | 12.3 | 0 | 0 | 0 | 112.1 | ||||
| 567 | S | 28.9 | Very low | 29.6 | Very low | 89 Ų | 89 | 147 Ų | 147 | 62% | 0.622 | 76% | 0.764 | S | S | * | * | trans | 120.8 | 111 | 141.6 | 77.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 568 | R | 29.1 | Very low | 29.5 | Very low | 234 Ų | 234 | 145.4 Ų | 145.4 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | trans | 64 | 118 | 143 | -56.6 | 176.4 | -159.8 | -173.1 | 7.3 | 122.5 | ||||
| 569 | F | 24.7 | Very low | 29.5 | Very low | 200 Ų | 200 | 141.5 Ų | 141.5 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | -154.1 | 164.7 | 96.8 | -150 | -102.4 | 0 | 0 | 0 | 111.8 | |||||
| 570 | T | 34 | Very low | 30.1 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 68% | 0.681 | 77% | 0.77 | S | S | * | * | trans | -146.9 | 171.8 | -169.1 | 56.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 571 | E | 31.2 | Very low | 30.2 | Very low | 136 Ų | 136 | 136.6 Ų | 136.6 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | cis | -144.8 | -148.5 | 1.9 | -142 | -158.9 | 98.5 | 0 | 0 | 108.2 | ||||
| 572 | R | 27.3 | Very low | 29.3 | Very low | 201 Ų | 201 | 139.7 Ų | 139.7 | 76% | 0.758 | 78% | 0.777 | S | S | * | * | cis | -147.5 | 164.8 | 5.2 | 179.5 | 143.6 | -77.1 | -179.4 | 0.1 | 109.4 | ||||
| 573 | S | 32.4 | Very low | 29.4 | Very low | 93 Ų | 93 | 138.6 Ų | 138.6 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | trans | -144.3 | 157.9 | -165.6 | -54.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 574 | K | 32.6 | Very low | 29.3 | Very low | 207 Ų | 207 | 134.9 Ų | 134.9 | 90% | 0.9 | 78% | 0.776 | S | S | * | * | trans | 64.5 | 171.3 | 140.5 | -83 | -178.1 | 177.8 | -179.3 | 0 | 118.4 | ||||
| 575 | A | 29.3 | Very low | 29.3 | Very low | 89 Ų | 89 | 137 Ų | 137 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | cis | -165.2 | 177.3 | -19.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 576 | T | 31.6 | Very low | 29.3 | Very low | 135 Ų | 135 | 133.7 Ų | 133.7 | 83% | 0.828 | 78% | 0.775 | S | S | * | * | trans | -98.9 | 153.6 | 157.3 | 2.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 577 | P | 40.1 | Very low | 30.1 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | -159.7 | -175.8 | 74.3 | 43.8 | -23.2 | 0 | 0 | 0 | 117.7 | |||||
| 578 | G | 26.9 | Very low | 29.8 | Very low | 79 Ų | 79 | 134.7 Ų | 134.7 | 81% | 0.814 | 78% | 0.784 | S | S | * | * | trans | 91.1 | 127 | 134.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 579 | A | 28.3 | Very low | 29.7 | Very low | 96 Ų | 96 | 128.3 Ų | 128.3 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | trans | -86.8 | 168.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 580 | P | 40.3 | Very low | 30 | Very low | 134 Ų | 134 | 124.7 Ų | 124.7 | 87% | 0.87 | 78% | 0.776 | S | S | * | * | -135.4 | -156.6 | 85.5 | 39.4 | -25.3 | 0 | 0 | 0 | 113.7 | |||||
| 581 | A | 26.3 | Very low | 29.7 | Very low | 93 Ų | 93 | 125.8 Ų | 125.8 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -138.2 | 179.4 | -155.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 582 | L | 26.3 | Very low | 29.6 | Very low | 161 Ų | 161 | 128.5 Ų | 128.5 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | trans | 93.5 | 147.2 | 165.6 | -75.8 | 162.5 | 0 | 0 | 0 | 119.7 | ||||
| 583 | T | 23.8 | Very low | 29.7 | Very low | 132 Ų | 132 | 125.5 Ų | 125.5 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | 63.1 | 151.8 | 180 | 70.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 584 | S | 23.8 | Very low | 29.6 | Very low | 99 Ų | 99 | 128.3 Ų | 128.3 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | cis | -170.3 | 159.1 | -46.3 | 50.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 585 | V | 24.9 | Very low | 29.5 | Very low | 137 Ų | 137 | 124.8 Ų | 124.8 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | trans | 81 | 143.7 | 165.2 | -170.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 586 | T | 23.2 | Very low | 29.6 | Very low | 123 Ų | 123 | 128.1 Ų | 128.1 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | trans | -107.6 | -165.7 | -177.4 | 53.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 587 | P | 46.2 | Very low | 29.3 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 71% | 0.714 | 76% | 0.764 | S | S | * | * | cis | -114.6 | -174.4 | -18.4 | 21.7 | 4.1 | 0 | 0 | 0 | 110.2 | ||||
| 588 | T | 24.2 | Very low | 29 | Very low | 132 Ų | 132 | 129.3 Ų | 129.3 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | -160.9 | 152 | 51.9 | 42.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 589 | A | 26.7 | Very low | 29 | Very low | 101 Ų | 101 | 132 Ų | 132 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | trans | -152.7 | 143.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 590 | V | 30.3 | Very low | 29.1 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 75% | 0.745 | 75% | 0.751 | S | S | * | * | trans | -140.4 | 108.4 | -175.2 | 166.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 591 | E | 27.6 | Very low | 28.4 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 63% | 0.626 | 74% | 0.742 | S | S | * | * | trans | 66.4 | 154.4 | 143.4 | -65 | -166.4 | 154.1 | 0 | 0 | 119.8 | ||||
| 592 | R | 30.5 | Very low | 28.3 | Very low | 193 Ų | 193 | 137.2 Ų | 137.2 | 73% | 0.728 | 74% | 0.739 | S | S | * | * | cis | -154.2 | -173 | 0.2 | -121.5 | 164.5 | -177.9 | 152 | 0.4 | 108.1 | ||||
| 593 | L | 28.7 | Very low | 28.1 | Very low | 138 Ų | 138 | 140.4 Ų | 140.4 | 72% | 0.723 | 74% | 0.74 | S | S | * | * | cis | -133.3 | -94.7 | 14.8 | -132.5 | 177.1 | 0 | 0 | 0 | 115.1 | ||||
| 594 | K | 30.7 | Very low | 29 | Very low | 153 Ų | 153 | 139 Ų | 139 | 67% | 0.665 | 73% | 0.733 | S | S | * | * | trans | -163.8 | 159.7 | -153.7 | -93.9 | -172.7 | 176.7 | -109.4 | 0 | 112.7 | ||||
| 595 | E | 29.1 | Very low | 29.1 | Very low | 133 Ų | 133 | 144.9 Ų | 144.9 | 62% | 0.621 | 74% | 0.74 | S | S | * | * | cis | -163.5 | 169.6 | -15.9 | -136.5 | 163.4 | -152.3 | 0 | 0 | 112.7 | ||||
| 596 | Q | 31.3 | Very low | 29.1 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | trans | -118.5 | 178.6 | 158 | -73.2 | -176.5 | -22.6 | 0 | 0 | 109 | ||||
| 597 | N | 26 | Very low | 29.2 | Very low | 157 Ų | 157 | 146.5 Ų | 146.5 | 84% | 0.84 | 74% | 0.739 | S | S | * | * | trans | -137.7 | 145.4 | 162.3 | -100.5 | -55.5 | 0 | 0 | 0 | 112.7 | ||||
| 598 | L | 33 | Very low | 28.4 | Very low | 128 Ų | 128 | 148.5 Ų | 148.5 | 67% | 0.67 | 74% | 0.743 | S | S | * | * | trans | -164 | 139 | -152.8 | -169.4 | 169.2 | 0 | 0 | 0 | 112 | ||||
| 599 | V | 28 | Very low | 28.4 | Very low | 136 Ų | 136 | 151.5 Ų | 151.5 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | trans | -144.7 | 127.6 | 177.4 | 174 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 600 | K | 30.3 | Very low | 28.3 | Very low | 151 Ų | 151 | 151.4 Ų | 151.4 | 66% | 0.657 | 74% | 0.741 | S | S | * | * | cis | 84.6 | 145 | 16.2 | -115.7 | -165.7 | 167.1 | -148.4 | 0 | 114.4 | ||||
| 601 | E | 25.1 | Very low | 28.1 | Very low | 144 Ų | 144 | 150.2 Ų | 150.2 | 67% | 0.673 | 74% | 0.738 | S | S | * | * | cis | -129.8 | -125.1 | 10.2 | -58.2 | -149 | 102.5 | 0 | 0 | 116.2 | ||||
| 602 | L | 25.7 | Very low | 28.1 | Very low | 137 Ų | 137 | 148.4 Ų | 148.4 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | trans | -145.7 | 148.6 | -133 | -77.9 | 154.8 | 0 | 0 | 0 | 117.1 | ||||
| 603 | R | 21.2 | Very low | 28.1 | Very low | 229 Ų | 229 | 146.4 Ų | 146.4 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | trans | 10.8 | 167.2 | 141.9 | -71.8 | -172.9 | 176.7 | -167.6 | 0.2 | 122.3 | ||||
| 604 | P | 43.2 | Very low | 28.4 | Very low | 103 Ų | 103 | 144.2 Ų | 144.2 | 67% | 0.669 | 74% | 0.74 | S | S | * | * | cis | -146.7 | 178.1 | -37 | 42.7 | -24.9 | 0 | 0 | 0 | 116.9 | ||||
| 605 | R | 25.8 | Very low | 28.3 | Very low | 222 Ų | 222 | 143.4 Ų | 143.4 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | trans | 68.5 | 157.7 | 155.7 | -83.3 | -175.9 | 179.6 | -176.8 | -0.5 | 118.7 | ||||
| 606 | D | 24.8 | Very low | 28.2 | Very low | 132 Ų | 132 | 143.7 Ų | 143.7 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | cis | -151.2 | -178.7 | 9.2 | -108.8 | -31 | 0 | 0 | 0 | 112.3 | ||||
| 607 | L | 25.6 | Very low | 27.8 | Very low | 161 Ų | 161 | 143.6 Ų | 143.6 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | trans | 89.5 | -179.8 | 163.6 | -75.3 | 164 | 0 | 0 | 0 | 121.4 | ||||
| 608 | L | 29.3 | Very low | 27.9 | Very low | 153 Ų | 153 | 142.2 Ų | 142.2 | 80% | 0.801 | 74% | 0.739 | S | S | * | * | trans | -113.6 | -177.9 | -139.5 | -76.7 | 163.6 | 0 | 0 | 0 | 116.6 | ||||
| 609 | E | 24.6 | Very low | 28.5 | Very low | 194 Ų | 194 | 141.1 Ų | 141.1 | 91% | 0.907 | 74% | 0.739 | S | S | * | * | trans | 79.1 | 166.2 | 174.5 | -55 | -176.5 | 164.7 | 0 | 0 | 116.9 | ||||
| 610 | S | 24.1 | Very low | 28.4 | Very low | 99 Ų | 99 | 142.4 Ų | 142.4 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | -170.1 | 141.4 | -51.2 | -174.9 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 611 | S | 25.4 | Very low | 28.1 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | trans | 42.3 | 146.2 | 148.5 | 58.8 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 612 | S | 28.6 | Very low | 28.1 | Very low | 96 Ų | 96 | 142.4 Ų | 142.4 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | trans | 76.3 | 133.5 | 152.5 | -80.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 613 | D | 29.3 | Very low | 28.9 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | 83.8 | 149.2 | 62.3 | -68.3 | -54.2 | 0 | 0 | 0 | 112.6 | |||||
| 614 | S | 35.6 | Very low | 29 | Very low | 92 Ų | 92 | 135.2 Ų | 135.2 | 64% | 0.643 | 75% | 0.749 | S | S | * | * | cis | -141 | -165.6 | -4.4 | 41.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 615 | D | 28 | Very low | 28.1 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | cis | -161 | 165.7 | 37.6 | -81.1 | -41.9 | 0 | 0 | 0 | 107.7 | ||||
| 616 | E | 27.1 | Very low | 28.1 | Very low | 140 Ų | 140 | 132 Ų | 132 | 65% | 0.654 | 75% | 0.75 | S | S | * | * | cis | -161.8 | 178.4 | -5.8 | -122.1 | -160.7 | 169.9 | 0 | 0 | 107.3 | ||||
| 617 | K | 24.3 | Very low | 28 | Very low | 156 Ų | 156 | 130.2 Ų | 130.2 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | cis | -150 | -174.8 | -1.8 | -150.8 | -179 | -162.4 | 92 | 0 | 108.6 | ||||
| 618 | V | 26.3 | Very low | 27.9 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 78% | 0.782 | 75% | 0.746 | S | S | * | * | trans | -151.3 | 178.2 | 175.6 | -117.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 619 | P | 47.2 | Very low | 27.8 | Very low | 105 Ų | 105 | 135.4 Ų | 135.4 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | cis | -134.7 | 178.8 | -18.3 | 33.2 | -13 | 0 | 0 | 0 | 114.3 | ||||
| 620 | L | 24.8 | Very low | 27.9 | Very low | 162 Ų | 162 | 134.7 Ų | 134.7 | 85% | 0.848 | 75% | 0.745 | S | S | * | * | 179.6 | 152.6 | 107.3 | -141.8 | 70 | 0 | 0 | 0 | 114.8 | |||||
| 621 | A | 24.4 | Very low | 28.4 | Very low | 92 Ų | 92 | 136.6 Ų | 136.6 | 76% | 0.76 | 75% | 0.747 | S | S | * | * | trans | 70.2 | 121.8 | 155.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 622 | K | 24.6 | Very low | 28.1 | Very low | 203 Ų | 203 | 141 Ų | 141 | 88% | 0.883 | 76% | 0.756 | S | S | * | * | trans | -103.6 | -175.8 | 153.6 | -58.3 | 179.4 | 175.9 | 175.5 | 0 | 107.6 | ||||
| 623 | P | 43.4 | Very low | 28.1 | Very low | 112 Ų | 112 | 143 Ų | 143 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | cis | -141.4 | 179.5 | 0.9 | 43.2 | -24.9 | 0 | 0 | 0 | 117.4 | ||||
| 624 | S | 23.1 | Very low | 27.9 | Very low | 103 Ų | 103 | 144.2 Ų | 144.2 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | trans | 94.8 | 140.1 | 137.1 | 80.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 625 | S | 24.9 | Very low | 27.4 | Very low | 103 Ų | 103 | 146.2 Ų | 146.2 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | trans | 96.5 | 131.4 | 141.7 | 82.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 626 | L | 24.3 | Very low | 27.2 | Very low | 155 Ų | 155 | 149 Ų | 149 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | 65.3 | 101.9 | 139.1 | -68.7 | 168.2 | 0 | 0 | 0 | 123.2 | ||||
| 627 | S | 23.3 | Very low | 27.2 | Very low | 95 Ų | 95 | 148.1 Ų | 148.1 | 66% | 0.664 | 78% | 0.78 | S | S | * | * | 97.2 | 152.5 | 108.3 | 82.8 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 628 | K | 23.6 | Very low | 27.2 | Very low | 186 Ų | 186 | 146.4 Ų | 146.4 | 81% | 0.809 | 78% | 0.783 | S | S | * | * | trans | 49.1 | 113.3 | 146.7 | -72.9 | 171.2 | -178.3 | 176 | 0 | 118.3 | ||||
| 629 | R | 26.5 | Very low | 27.2 | Very low | 236 Ų | 236 | 147 Ų | 147 | 89% | 0.891 | 78% | 0.777 | S | S | * | * | 101.6 | 119 | 65.4 | -118.5 | -169.7 | -175.7 | -178.6 | 2.7 | 111.5 | |||||
| 630 | K | 27.5 | Very low | 26.2 | Very low | 179 Ų | 179 | 150.1 Ų | 150.1 | 78% | 0.778 | 78% | 0.78 | S | S | * | * | trans | 62.3 | 103.5 | 139.9 | -168.9 | 177.8 | -178.7 | -170 | 0 | 119.2 | ||||
| 631 | L | 34.9 | Very low | 26.3 | Very low | 140 Ų | 140 | 151.9 Ų | 151.9 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | 48.9 | 112.4 | 123.3 | -163.9 | 159.3 | 0 | 0 | 0 | 118 | |||||
| 632 | E | 19.6 | Very low | 26.4 | Very low | 192 Ų | 192 | 156.7 Ų | 156.7 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | trans | -114.8 | 157.9 | 157.5 | -70.7 | -174.7 | 146.5 | 0 | 0 | 110.1 | ||||
| 633 | L | 27.2 | Very low | 26.6 | Very low | 137 Ų | 137 | 157.1 Ų | 157.1 | 72% | 0.717 | 79% | 0.786 | S | S | * | * | trans | -134.6 | 154.2 | 175.5 | -165.1 | 86.4 | 0 | 0 | 0 | 107.4 | ||||
| 634 | E | 25.7 | Very low | 25.6 | Very low | 175 Ų | 175 | 155.5 Ų | 155.5 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | 69.9 | 150.3 | 169.4 | -77.7 | 161.4 | -159.1 | 0 | 0 | 118.1 | ||||
| 635 | V | 25.3 | Very low | 25.7 | Very low | 135 Ų | 135 | 162.2 Ų | 162.2 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -141.6 | 120.5 | -179.4 | 170.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 636 | E | 23.9 | Very low | 26.6 | Very low | 193 Ų | 193 | 161.7 Ų | 161.7 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -150.9 | 169.3 | 141.5 | -125.4 | 174.8 | -166.5 | 0 | 0 | 110.5 | ||||
| 637 | T | 25.6 | Very low | 26.5 | Very low | 122 Ų | 122 | 165.3 Ų | 165.3 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | -112.6 | 160.5 | -160.9 | 54 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 638 | V | 25.3 | Very low | 26.6 | Very low | 121 Ų | 121 | 169.3 Ų | 169.3 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | -175.6 | 140.9 | 75.2 | 160.4 | 0 | 0 | 0 | 0 | 111 | |||||
| 639 | E | 27.2 | Very low | 26.6 | Very low | 141 Ų | 141 | 166 Ų | 166 | 66% | 0.659 | 79% | 0.793 | S | S | * | * | trans | 51.1 | 121.4 | 159.5 | -67.3 | -156 | 164.8 | 0 | 0 | 124 | ||||
| 640 | K | 26.3 | Very low | 26.5 | Very low | 170 Ų | 170 | 159.3 Ų | 159.3 | 74% | 0.739 | 78% | 0.783 | S | S | * | * | 70 | 142.8 | 93.4 | -58.8 | 169.8 | -163.1 | 163.7 | 0 | 114.4 | |||||
| 641 | K | 26.1 | Very low | 26.4 | Very low | 200 Ų | 200 | 161.8 Ų | 161.8 | 87% | 0.87 | 79% | 0.788 | S | S | * | * | cis | -156.9 | 169.7 | 30.8 | -154.4 | 170.4 | -177.9 | 175.3 | 0 | 113.6 | ||||
| 642 | K | 26.1 | Very low | 26 | Very low | 193 Ų | 193 | 163.2 Ų | 163.2 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | -41.7 | 139.9 | 179.3 | -65.4 | 173.5 | -178.1 | 178.7 | 0 | 115.1 | ||||
| 643 | K | 28.9 | Very low | 26.6 | Very low | 211 Ų | 211 | 162.9 Ų | 162.9 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | cis | 88.7 | 112.4 | 44.3 | -173.4 | -177.1 | -175.5 | 177 | 0 | 114.1 | ||||
| 644 | G | 23.4 | Very low | 26.6 | Very low | 79 Ų | 79 | 162 Ų | 162 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | trans | -166 | 151.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 645 | R | 23.1 | Very low | 26.6 | Very low | 244 Ų | 244 | 161 Ų | 161 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | -167.1 | 167.4 | -179.7 | -132.4 | -164.6 | 173.3 | -168 | 1.2 | 106.8 | ||||
| 646 | P | 44 | Very low | 26.6 | Very low | 92 Ų | 92 | 159.6 Ų | 159.6 | 60% | 0.597 | 80% | 0.8 | S | S | * | * | cis | -141.7 | -172.7 | -4.5 | 45.5 | -28.3 | 0 | 0 | 0 | 116.7 | ||||
| 647 | R | 24.1 | Very low | 26.7 | Very low | 230 Ų | 230 | 159.1 Ų | 159.1 | 87% | 0.868 | 80% | 0.802 | S | S | * | * | trans | 88.3 | 122.7 | 147 | -80.6 | 175.8 | 177 | 160.2 | -1.1 | 122.6 | ||||
| 648 | K | 24.4 | Very low | 26.6 | Very low | 179 Ų | 179 | 158.2 Ų | 158.2 | 78% | 0.778 | 80% | 0.801 | S | S | * | * | trans | 76.5 | 133.9 | 141.6 | -142.7 | 157.9 | -169.8 | -71.3 | 0 | 116 | ||||
| 649 | D | 24 | Very low | 26.9 | Very low | 116 Ų | 116 | 159 Ų | 159 | 62% | 0.62 | 81% | 0.806 | S | S | * | * | cis | -151.5 | 158.8 | 10.7 | -139 | -14 | 0 | 0 | 0 | 116.1 | ||||
| 650 | S | 24.1 | Very low | 26.6 | Very low | 97 Ų | 97 | 161.1 Ų | 161.1 | 68% | 0.678 | 82% | 0.816 | S | S | * | * | trans | 67.9 | 151 | 157.4 | 87.4 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 651 | R | 25.2 | Very low | 26.7 | Very low | 231 Ų | 231 | 158 Ų | 158 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | trans | 58.5 | 92.6 | 163.4 | -58.6 | -172.9 | -173.2 | -163.1 | 2.4 | 119.3 | ||||
| 652 | L | 26.3 | Very low | 26.7 | Very low | 170 Ų | 170 | 154.5 Ų | 154.5 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | -175 | 155.6 | 101.6 | -93.5 | 166.5 | 0 | 0 | 0 | 109.6 | |||||
| 653 | M | 33.1 | Very low | 26.5 | Very low | 185 Ų | 185 | 149.8 Ų | 149.8 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | trans | -95.9 | 131.5 | -170.3 | -66.3 | -66.6 | -166.1 | 0 | 0 | 113.4 | ||||
| 654 | P | 26.9 | Very low | 26.3 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | -123.5 | 135.5 | 149.7 | 35.2 | -24.1 | 0 | 0 | 0 | 111.7 | ||||
| 655 | V | 25.8 | Very low | 26.5 | Very low | 153 Ų | 153 | 147.2 Ų | 147.2 | 93% | 0.927 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 130.7 | 175.9 | 178.2 | 0 | 0 | 0 | 0 | 110 | ||
| 656 | S | 24.2 | Very low | 26.4 | Very low | 106 Ų | 106 | 142.6 Ų | 142.6 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 140.4 | -175.5 | 55.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 657 | L | 26.6 | Very low | 25.6 | Very low | 182 Ų | 182 | 142.3 Ų | 142.3 | 95% | 0.953 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 122.7 | 167.9 | -76.4 | 159.8 | 0 | 0 | 0 | 112 | ||
| 658 | S | 23.4 | Very low | 25.6 | Very low | 104 Ų | 104 | 140.8 Ų | 140.8 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -168.2 | 125.5 | 142.3 | 62.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 659 | V | 30.9 | Very low | 25.6 | Very low | 136 Ų | 136 | 141.7 Ų | 141.7 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | 52.4 | 99.3 | 154 | -168.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 660 | Q | 22.2 | Very low | 25.6 | Very low | 186 Ų | 186 | 145.5 Ų | 145.5 | 87% | 0.869 | 82% | 0.824 | S | S | * | * | -167.2 | 174.1 | 123.3 | -107.7 | 174.4 | 17.9 | 0 | 0 | 112.3 | |||||
| 661 | S | 28.8 | Very low | 25.5 | Very low | 104 Ų | 104 | 145.5 Ų | 145.5 | 73% | 0.727 | 83% | 0.83 | S | S | * | * | trans | -61.1 | 154.3 | -173.3 | 51.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 662 | P | 25.6 | Very low | 25.5 | Very low | 127 Ų | 127 | 142.4 Ų | 142.4 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | trans | -100.3 | 153.3 | 145.2 | 36 | -28.6 | 0 | 0 | 0 | 111.9 | ||||
| 663 | A | 22.4 | Very low | 25.4 | Very low | 94 Ų | 94 | 139.1 Ų | 139.1 | 78% | 0.777 | 82% | 0.817 | S | S | * | * | trans | -112.6 | 177.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 664 | A | 24.3 | Very low | 25 | Very low | 86 Ų | 86 | 137.6 Ų | 137.6 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | trans | -0.1 | 138.3 | 146.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 665 | L | 26.1 | Very low | 25 | Very low | 151 Ų | 151 | 137.2 Ų | 137.2 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | cis | -168 | 144.8 | 15.3 | -110.1 | 157.5 | 0 | 0 | 0 | 109.8 | ||||
| 666 | T | 21.8 | Very low | 24.9 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -161.2 | 142 | 133.4 | 30.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 667 | A | 28.2 | Very low | 25.3 | Very low | 86 Ų | 86 | 134.8 Ų | 134.8 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | trans | -142.9 | 119.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 668 | E | 23.1 | Very low | 25.7 | Very low | 197 Ų | 197 | 130.6 Ų | 130.6 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | trans | -119.3 | 68 | 174.4 | -64.3 | -151.2 | 139.8 | 0 | 0 | 111.9 | ||||
| 669 | K | 24.6 | Very low | 26.6 | Very low | 199 Ų | 199 | 134.1 Ų | 134.1 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | 42.8 | 83.2 | 128.3 | -163.1 | -177.5 | -174.5 | -176.8 | 0 | 117 | |||||
| 670 | E | 23.1 | Very low | 27.6 | Very low | 196 Ų | 196 | 131 Ų | 131 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | trans | -59 | 146.1 | 158.6 | -65.6 | -173.6 | 137.2 | 0 | 0 | 111.3 | ||||
| 671 | A | 22.3 | Very low | 29.4 | Very low | 97 Ų | 97 | 126.7 Ų | 126.7 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | -112.6 | 121 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 672 | M | 25.7 | Very low | 31.2 | Very low | 165 Ų | 165 | 129.8 Ų | 129.8 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 129.9 | 174.6 | -61.6 | 174 | 72.1 | 0 | 0 | 110.7 | L674 | M672-L674 HydrophobicContact CE-CD2 4.25Š|
| 673 | C | 23.8 | Very low | 33.8 | Very low | 101 Ų | 101 | 125.7 Ų | 125.7 | 68% | 0.682 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 127.7 | 155.2 | -73.2 | 0 | 0 | 0 | 0 | 108.8 | ||
| 674 | L | 26.3 | Very low | 36.7 | Very low | 153 Ų | 153 | 126.1 Ų | 126.1 | 80% | 0.801 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 124.5 | -176.2 | -68.7 | 161.7 | 0 | 0 | 0 | 110.3 | M672 | M672-L674 HydrophobicContact CE-CD2 4.25Š|
| 675 | S | 25.6 | Very low | 39.8 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 78% | 0.783 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 149.7 | 153.4 | 51.9 | 0 | 0 | 0 | 0 | 109.4 | ||
| 676 | A | 24.5 | Very low | 42.9 | Very low | 99 Ų | 99 | 120.5 Ų | 120.5 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 129.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 677 | P | 31.6 | Very low | 46 | Very low | 109 Ų | 109 | 115.7 Ų | 115.7 | 71% | 0.708 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 145 | 178.4 | 32.3 | -35.2 | 0 | 0 | 0 | 110.7 | ||
| 678 | A | 35.7 | Very low | 48.9 | Very low | 93 Ų | 93 | 115 Ų | 115 | 77% | 0.769 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 143.9 | 153.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | A680 | A678-A680 VanDerWaalsContact C-N 3.27Å; A678-A680 PolarHBondContact O-N 2.7Å |
| 679 | L | 41.3 | Very low | 52.2 | Low | 179 Ų | 179 | 110.7 Ų | 110.7 | 94% | 0.937 | 65% | 0.651 | S | S | * | * | trans | -66.2 | 82.2 | -172.2 | -87.3 | 163.6 | 0 | 0 | 0 | 112.2 | L681 | L679-L681 PolarHBondContact O-N 3.44Š| ||
| 680 | A | 53.7 | Low | 55.4 | Low | 70 Ų | 70 | 112 Ų | 112 | 58% | 0.579 | 65% | 0.65 | S | S | * | * | trans | -63.2 | 127.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | A678 K682 | A678-A680 VanDerWaalsContact C-N 3.27Å; A678-A680 PolarHBondContact O-N 2.7Å; A680-K682 PolarHBondContact O-N 3.17Å | ||
| 681 | L | 58.6 | Low | 58.8 | Low | 95 Ų | 95 | 105.3 Ų | 105.3 | 50% | 0.497 | 63% | 0.629 | S | S | . | * | trans | -58.4 | 97.7 | 175.1 | -70.8 | 168 | 0 | 0 | 0 | 110 | L679 L817 | L679-L681 PolarHBondContact O-N 3.44Å; L681-L817 HydrophobicContact CD1-CB 3.95Å; L681-L817 HydrophobicContact CD1-CD1 4.41Å | ||
| 682 | K | 66.4 | Low | 62.3 | Low | 170 Ų | 170 | 102.1 Ų | 102.1 | 74% | 0.739 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 116.5 | 176.1 | -75.1 | 179 | -179.2 | 176.6 | 0 | 109.6 | A680 A792 | A680-K682 PolarHBondContact O-N 3.17Å; K682-A792 WeakPolarHBondContact CA-O 3.34Å |
| 683 | L | 80 | Confident | 65.6 | Low | 40 Ų | 40 | 98.5 Ų | 98.5 | 21% | 0.209 | 58% | 0.584 | C | S | . | * | P | Polyproline II helix | trans | -74.9 | 145.7 | 175.9 | -58.6 | -179.9 | 0 | 0 | 0 | 110.2 | I685 S778 L790 A792 A794 L813 | L683-I685 PolarHBondContact O-N 2.87Å; L683-S778 WeakPolarHBondContact CB-OG 3.4Å; L683-L790 HydrophobicContact CD1-CD1 3.61Å; L683-L790 HydrophobicContact CD1-CD2 3.64Å; L683-L790 HydrophobicContact CD1-CG 3.54Å; L683-A792 PolarHBondContact N-O 3.18Å; L683-A792 WeakPolarHBondContact O-CB 3.42Å; L683-A794 HydrophobicContact CD1-CB 4.17Å; L683-A794 HydrophobicContact CG-CB 4.24Å; L683-L813 HydrophobicContact CD1-CD1 4.39Å |
| 684 | P | 84.9 | Confident | 68.8 | Low | 103 Ų | 103 | 96.7 Ų | 96.7 | 67% | 0.669 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 135.8 | -172.6 | 26 | -34.9 | 0 | 0 | 0 | 111.6 | S778 | P684-S778 VanDerWaalsContact O-CA 3.28Å; P684-S778 WeakPolarHBondContact O-CA 3.43Å; P684-S778 VanDerWaalsContact O-CB 3.25Å; P684-S778 WeakPolarHBondContact O-CB 3.18Å; P684-S778 PolarHBondContact O-OG 3.5Å |
| 685 | I | 89.4 | Confident | 71.8 | Confident | 90 Ų | 90 | 94.2 Ų | 94.2 | 46% | 0.462 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -90.2 | 129.1 | 174.7 | -61.4 | 166.8 | 0 | 0 | 0 | 108.3 | L683 G687 P776 A792 | L683-I685 PolarHBondContact O-N 2.87Å; I685-G687 PolarHBondContact O-N 3.39Å; I685-P776 HydrophobicContact CD1-CB 3.78Å; I685-P776 HydrophobicContact CD1-CG 4.11Å; I685-P776 HydrophobicContact CG1-CB 4.1Å; I685-P776 HydrophobicContact CG2-CB 4.41Å; I685-A792 HydrophobicContact CD1-CB 3.88Å; I685-A792 HydrophobicContact CG1-CB 3.54Å |
| 686 | P | 90.6 | Very high | 74.6 | Confident | 30 Ų | 30 | 90.9 Ų | 90.9 | 20% | 0.195 | 53% | 0.527 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 128 | 174.1 | -25.3 | 34.8 | 0 | 0 | 0 | 111.8 | L739 T740 I777 S778 | P686-L739 HydrophobicContact CB-CB 4.37Å; P686-L739 WeakPolarHBondContact CB-O 3.45Å; P686-T740 HydrophobicContact CG-CG2 4.12Å; P686-I777 WeakPolarHBondContact CD-O 3.38Å; P686-S778 WeakPolarHBondContact CD-O 3.19Å; P686-S778 VanDerWaalsContact CG-O 3.3Å; P686-S778 WeakPolarHBondContact CG-O 3.27Å |
| 687 | G | 86.8 | Confident | 77.3 | Confident | 45 Ų | 45 | 87.9 Ų | 87.9 | 46% | 0.464 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 142 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I685 Q689 | I685-G687 PolarHBondContact O-N 3.39Å; G687-Q689 PolarHBondContact O-N 2.99Å |
| 688 | P | 89.3 | Confident | 79.2 | Confident | 73 Ų | 73 | 87.3 Ų | 87.3 | 47% | 0.474 | 50% | 0.498 | S | S | . | . | trans | -68.9 | 114 | 179.3 | 27.7 | -33.8 | 0 | 0 | 0 | 111 | L739 | P688-L739 HydrophobicContact CB-CD2 3.91Š| ||
| 689 | Q | 92.7 | Very high | 80.6 | Confident | 105 Ų | 105 | 89.8 Ų | 89.8 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | trans | -98.1 | 153.2 | 177.8 | -66.7 | 174.6 | 71 | 0 | 0 | 111.1 | G687 F692 N708 | G687-Q689 PolarHBondContact O-N 2.99Å; Q689-F692 HydrophobicContact CB-CD1 4.24Å; Q689-N708 PolarHBondContact O-ND2 3.28Å | ||
| 690 | R | 92.3 | Very high | 82.4 | Confident | 226 Ų | 226 | 83.7 Ų | 83.7 | 85% | 0.853 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -68.2 | -42.3 | 175.5 | -177.8 | 176.9 | 178.4 | 175.4 | -0.6 | 111.7 | N708 | R690-N708 PolarHBondContact O-N 3.47Š|
| 691 | A | 94.1 | Very high | 83.9 | Confident | 56 Ų | 56 | 82.8 Ų | 82.8 | 46% | 0.463 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 154.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | V706 | A691-V706 CarbonylContact C-O 3.56Å; A691-V706 WeakPolarHBondContact CA-O 3.26Å; A691-V706 VanDerWaalsContact CB-O 3.29Å; A691-V706 WeakPolarHBondContact CB-O 3.43Å |
| 692 | F | 96 | Very high | 85.4 | Confident | 31 Ų | 31 | 78.5 Ų | 78.5 | 14% | 0.136 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 155.7 | 169.6 | 66.7 | -95.2 | 0 | 0 | 0 | 111 | Q689 V706 I738 A741 | Q689-F692 HydrophobicContact CB-CD1 4.24Å; F692-V706 HydrophobicContact CD1-CB 3.98Å; F692-V706 HydrophobicContact CD1-CG1 3.96Å; F692-V706 HydrophobicContact CD2-CB 4.35Å; F692-V706 HydrophobicContact CE1-CB 3.75Å; F692-V706 HydrophobicContact CE1-CG1 3.56Å; F692-V706 HydrophobicContact CE1-CG2 4.11Å; F692-V706 HydrophobicContact CE2-CB 4.12Å; F692-V706 HydrophobicContact CE2-CG2 3.92Å; F692-V706 HydrophobicContact CG-CB 4.29Å; F692-V706 HydrophobicContact CZ-CB 3.83Å; F692-V706 HydrophobicContact CZ-CG1 4.01Å; F692-V706 HydrophobicContact CZ-CG2 3.68Å; F692-V706 PolarHBondContact N-O 3.35Å; F692-V706 PolarHBondContact O-N 3.29Å; F692-I738 HydrophobicContact CE1-CG2 4.46Å; F692-I738 HydrophobicContact CZ-CG2 4.09Å; F692-A741 HydrophobicContact CE2-CB 4.35Å |
| 693 | T | 93.9 | Very high | 86.7 | Confident | 89 Ų | 89 | 74.6 Ų | 74.6 | 55% | 0.546 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 136.5 | 175 | -58.1 | 0 | 0 | 0 | 0 | 109.4 | I704 E705 | T693-I704 CarbonylContact C-O 3.55Å; T693-I704 VanDerWaalsContact CA-O 3.31Å; T693-I704 WeakPolarHBondContact CA-O 3.35Å; T693-E705 HydrophobicContact CG2-CG 4.16Å |
| 694 | L | 91.4 | Very high | 87.4 | Confident | 62 Ų | 62 | 72.7 Ų | 72.7 | 33% | 0.325 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 126.5 | 178.1 | 175.7 | 65.8 | 0 | 0 | 0 | 109.7 | Y703 I704 A741 | L694-Y703 WeakPolarHBondContact O-CA 3.44Å; L694-I704 PolarHBondContact N-O 3.45Å; L694-I704 PolarHBondContact O-N 2.8Å; L694-A741 HydrophobicContact CD2-CB 4.38Å; L694-A741 WeakPolarHBondContact CD2-O 3.46Å |
| 695 | Q | 89.9 | Confident | 87.9 | Confident | 102 Ų | 102 | 71.3 Ų | 71.3 | 48% | 0.477 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 124.3 | 164.9 | -172.8 | 170.1 | 11 | 0 | 0 | 109.3 | S697 Y703 | Q695-S697 PolarHBondContact NE2-O 2.92Å; Q695-Y703 HydrophobicContact CB-CD1 3.81Å; Q695-Y703 HydrophobicContact CB-CE1 3.75Å; Q695-Y703 HydrophobicContact CG-CD1 3.93Å; Q695-Y703 HydrophobicContact CG-CE1 3.57Å |
| 696 | V | 84.5 | Confident | 88.3 | Confident | 41 Ų | 41 | 67 Ų | 67 | 25% | 0.248 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -37.7 | 179.8 | 175.6 | 0 | 0 | 0 | 0 | 111 | M702 I704 G743 | V696-M702 HydrophobicContact CB-CB 4.26Å; V696-M702 HydrophobicContact CB-CG 4.12Å; V696-M702 HydrophobicContact CB-SD 4.39Å; V696-M702 HydrophobicContact CG1-CG 4.46Å; V696-M702 HydrophobicContact CG1-SD 4.08Å; V696-M702 PolarHBondContact N-O 3.34Å; V696-I704 HydrophobicContact CG2-CD1 3.44Å; V696-I704 VanDerWaalsContact CG2-CD1 3.44Å; V696-I704 HydrophobicContact CG2-CG1 3.74Å; V696-G743 WeakPolarHBondContact CG1-O 3.36Å |
| 697 | S | 79.8 | Confident | 88.6 | Confident | 37 Ų | 37 | 68 Ų | 68 | 26% | 0.259 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 147.2 | -179.7 | 177 | 0 | 0 | 0 | 0 | 110.5 | Q695 D699 P700 M702 | Q695-S697 PolarHBondContact NE2-O 2.92Å; S697-D699 PolarHBondContact OG-N 2.78Å; S697-D699 PolarHBondContact OG-O 3.04Å; S697-P700 WeakPolarHBondContact CB-O 3.43Å; S697-P700 PolarHBondContact OG-O 3.14Å; S697-M702 PolarHBondContact N-O 2.8Å; S697-M702 PolarHBondContact O-N 3.27Å |
| 698 | S | 71.3 | Confident | 89 | Confident | 96 Ų | 96 | 66.3 Ų | 66.3 | 67% | 0.671 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -36.2 | 171.2 | 54.4 | 0 | 0 | 0 | 0 | 112.6 | S701 | S698-S701 WeakPolarHBondContact O-CA 3.28Å; S698-S701 PolarHBondContact O-N 3.19Å |
| 699 | D | 66.4 | Low | 89.2 | Confident | 146 Ų | 146 | 66.4 Ų | 66.4 | 78% | 0.781 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145.5 | 109.7 | -177.2 | -172.9 | 17.7 | 0 | 0 | 0 | 110.8 | S697 | S697-D699 PolarHBondContact OG-N 2.78Å; S697-D699 PolarHBondContact OG-O 3.04Å |
| 700 | P | 78.8 | Confident | 89.1 | Confident | 50 Ų | 50 | 64.1 Ų | 64.1 | 33% | 0.325 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -61.6 | 150.5 | -9.9 | 28.1 | -35.1 | 0 | 0 | 0 | 111 | S697 M702 E726 | S697-P700 WeakPolarHBondContact CB-O 3.43Å; S697-P700 PolarHBondContact OG-O 3.14Å; P700-M702 PolarHBondContact O-N 3.1Å; P700-E726 HydrophobicContact CB-CG 3.67Å; P700-E726 WeakPolarHBondContact CB-OE1 3.4Å |
| 701 | S | 85.1 | Confident | 89 | Confident | 52 Ų | 52 | 56.7 Ų | 56.7 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 127 | -179.5 | 58.8 | 0 | 0 | 0 | 0 | 111.3 | S698 R725 E726 | S698-S701 WeakPolarHBondContact O-CA 3.28Å; S698-S701 PolarHBondContact O-N 3.19Å; S701-R725 WeakPolarHBondContact O-CA 3.41Å; S701-E726 PolarHBondContact O-N 3.02Å |
| 702 | M | 90.6 | Very high | 88.8 | Confident | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.02 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 124.3 | -176.3 | -171.7 | 173.4 | -171.6 | 0 | 0 | 110.6 | V696 S697 P700 C723 N724 R725 V748 | V696-M702 HydrophobicContact CB-CB 4.26Å; V696-M702 HydrophobicContact CB-CG 4.12Å; V696-M702 HydrophobicContact CB-SD 4.39Å; V696-M702 HydrophobicContact CG1-CG 4.46Å; V696-M702 HydrophobicContact CG1-SD 4.08Å; V696-M702 PolarHBondContact N-O 3.34Å; S697-M702 PolarHBondContact N-O 2.8Å; S697-M702 PolarHBondContact O-N 3.27Å; P700-M702 PolarHBondContact O-N 3.1Å; M702-C723 VanDerWaalsContact CE-SG 3.52Å; M702-N724 WeakPolarHBondContact CA-O 3.4Å; M702-R725 HydrophobicContact CB-CB 4.48Å; M702-R725 HydrophobicContact CB-CG 4.45Å; M702-R725 HydrophobicContact CG-CB 4.12Å; M702-R725 HydrophobicContact CG-CG 4.4Å; M702-V748 HydrophobicContact CE-CG2 3.66Å |
| 703 | Y | 92.1 | Very high | 88.3 | Confident | 88 Ų | 88 | 61 Ų | 61 | 35% | 0.345 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 141.6 | -179.3 | -57.2 | -86.8 | 0 | 0 | 0 | 110.5 | L694 Q695 C723 N724 | L694-Y703 WeakPolarHBondContact O-CA 3.44Å; Q695-Y703 HydrophobicContact CB-CD1 3.81Å; Q695-Y703 HydrophobicContact CB-CE1 3.75Å; Q695-Y703 HydrophobicContact CG-CD1 3.93Å; Q695-Y703 HydrophobicContact CG-CE1 3.57Å; Y703-C723 CarbonylContact O-C 3.58Å; Y703-C723 VanDerWaalsContact O-CA 3.31Å; Y703-C723 WeakPolarHBondContact O-CA 3.12Å; Y703-C723 PolarHBondContact O-SG 3.47Å; Y703-N724 PolarHBondContact N-O 2.9Å; Y703-N724 PolarHBondContact O-N 2.88Å |
| 704 | I | 95.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 127.5 | 170.2 | -66 | 169.3 | 0 | 0 | 0 | 107.8 | T693 L694 V696 V706 L721 K722 A741 A742 V748 | T693-I704 CarbonylContact C-O 3.55Å; T693-I704 VanDerWaalsContact CA-O 3.31Å; T693-I704 WeakPolarHBondContact CA-O 3.35Å; L694-I704 PolarHBondContact N-O 3.45Å; L694-I704 PolarHBondContact O-N 2.8Å; V696-I704 HydrophobicContact CG2-CD1 3.44Å; V696-I704 VanDerWaalsContact CG2-CD1 3.44Å; V696-I704 HydrophobicContact CG2-CG1 3.74Å; I704-V706 HydrophobicContact CG2-CG2 4.24Å; I704-L721 HydrophobicContact CG2-CD1 3.48Å; I704-L721 VanDerWaalsContact CG2-CD1 3.48Å; I704-K722 WeakPolarHBondContact CA-O 3.38Å; I704-A741 HydrophobicContact CD1-CB 4.18Å; I704-A741 HydrophobicContact CG2-CB 4.02Å; I704-A742 WeakPolarHBondContact CD1-O 3.42Å; I704-V748 HydrophobicContact CD1-CG1 3.71Å; I704-V748 HydrophobicContact CD1-CG2 4.25Å; I704-V748 HydrophobicContact CG1-CG1 4.23Å |
| 705 | E | 96.2 | Very high | 87.5 | Confident | 74 Ų | 74 | 61.1 Ų | 61.1 | 35% | 0.346 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 137.5 | 169.2 | -45.7 | -170.3 | 146.7 | 0 | 0 | 109.9 | T693 K722 | T693-E705 HydrophobicContact CG2-CG 4.16Å; E705-K722 HydrophobicContact CB-CB 4.16Å; E705-K722 HydrophobicContact CB-CD 4.05Å; E705-K722 HydrophobicContact CG-CD 4.45Å; E705-K722 PolarHBondContact N-O 2.9Å; E705-K722 PolarHBondContact O-N 3.21Å; E705-K722 WeakPolarHBondContact OE2-CD 3.31Å; E705-K722 IonicContact OE2-NZ 3.88Å; E705-K722 PolarHBondContact OE2-NZ 2.79Å |
| 706 | V | 97.1 | Very high | 87.3 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.006 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 127.9 | 177.1 | 167.1 | 0 | 0 | 0 | 0 | 108.6 | A691 F692 I704 L721 I738 | A691-V706 CarbonylContact C-O 3.56Å; A691-V706 WeakPolarHBondContact CA-O 3.26Å; A691-V706 VanDerWaalsContact CB-O 3.29Å; A691-V706 WeakPolarHBondContact CB-O 3.43Å; F692-V706 HydrophobicContact CD1-CB 3.98Å; F692-V706 HydrophobicContact CD1-CG1 3.96Å; F692-V706 HydrophobicContact CD2-CB 4.35Å; F692-V706 HydrophobicContact CE1-CB 3.75Å; F692-V706 HydrophobicContact CE1-CG1 3.56Å; F692-V706 HydrophobicContact CE1-CG2 4.11Å; F692-V706 HydrophobicContact CE2-CB 4.12Å; F692-V706 HydrophobicContact CE2-CG2 3.92Å; F692-V706 HydrophobicContact CG-CB 4.29Å; F692-V706 HydrophobicContact CZ-CB 3.83Å; F692-V706 HydrophobicContact CZ-CG1 4.01Å; F692-V706 HydrophobicContact CZ-CG2 3.68Å; F692-V706 PolarHBondContact N-O 3.35Å; F692-V706 PolarHBondContact O-N 3.29Å; I704-V706 HydrophobicContact CG2-CG2 4.24Å; V706-L721 HydrophobicContact CG2-CD1 4Å; V706-I738 HydrophobicContact CG1-CB 3.78Å; V706-I738 HydrophobicContact CG1-CD1 4.12Å; V706-I738 HydrophobicContact CG1-CG2 4.14Å; V706-I738 HydrophobicContact CG2-CB 4.39Å; V706-I738 HydrophobicContact CG2-CD1 4.07Å; V706-I738 HydrophobicContact CG2-CG2 3.98Å |
| 707 | E | 96.5 | Very high | 87.6 | Confident | 50 Ų | 50 | 62.4 Ų | 62.4 | 23% | 0.234 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 110.6 | 172.4 | -54.3 | 166.8 | -151.8 | 0 | 0 | 108.6 | V710 S719 R720 K722 | E707-V710 HydrophobicContact CB-CG1 3.3Å; E707-V710 HydrophobicContact CG-CG1 4.38Å; E707-V710 WeakPolarHBondContact OE2-CG1 3.49Å; E707-S719 CarbonylContact O-C 3.58Å; E707-S719 VanDerWaalsContact O-CA 3.29Å; E707-S719 WeakPolarHBondContact O-CA 3.49Å; E707-R720 HydrophobicContact CB-CB 4.21Å; E707-R720 PolarHBondContact N-O 3.39Å; E707-R720 PolarHBondContact O-N 2.84Å; E707-R720 IonicContact OE2-NE 3.67Å; E707-R720 PolarHBondContact OE2-NE 3.22Å; E707-K722 WeakPolarHBondContact OE1-CE 3.47Å; E707-K722 IonicContact OE1-NZ 3.66Å; E707-K722 PolarHBondContact OE1-NZ 2.91Å |
| 708 | N | 96 | Very high | 88.3 | Confident | 10 Ų | 10 | 61.9 Ų | 61.9 | 5% | 0.053 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 136.8 | -173.8 | -79 | -41.7 | 0 | 0 | 0 | 112.4 | Q689 R690 V710 S719 R737 I738 | Q689-N708 PolarHBondContact O-ND2 3.28Å; R690-N708 PolarHBondContact O-N 3.47Å; N708-V710 VanDerWaalsContact C-N 3.34Å; N708-V710 PolarHBondContact O-N 2.94Å; N708-S719 WeakPolarHBondContact OD1-CB 3.41Å; N708-S719 PolarHBondContact OD1-OG 2.79Å; N708-R737 HydrophobicContact CB-CB 4.29Å; N708-R737 HydrophobicContact CB-CG 4.13Å; N708-R737 VanDerWaalsContact OD1-CA 3.29Å; N708-R737 WeakPolarHBondContact OD1-CA 3.47Å; N708-I738 PolarHBondContact ND2-O 2.95Å; N708-I738 PolarHBondContact OD1-N 3.4Å |
| 709 | E | 92.3 | Very high | 89.5 | Confident | 74 Ų | 74 | 57.4 Ų | 57.4 | 35% | 0.346 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 55.8 | 37.1 | 178.3 | -50.3 | -167 | 150.5 | 0 | 0 | 115.4 | T711 K717 L718 S719 R737 | E709-T711 VanDerWaalsContact C-N 3.33Å; E709-T711 PolarHBondContact O-N 3.27Å; E709-K717 HydrophobicContact CB-CD 4.14Å; E709-K717 HydrophobicContact CG-CB 4.44Å; E709-K717 HydrophobicContact CG-CD 3.82Å; E709-K717 WeakPolarHBondContact OE1-CD 3.46Å; E709-K717 IonicContact OE1-NZ 3.57Å; E709-K717 PolarHBondContact OE1-NZ 3.04Å; E709-K717 IonicContact OE2-NZ 2.91Å; E709-K717 PolarHBondContact OE2-NZ 3.01Å; E709-L718 CarbonylContact C-O 3.59Å; E709-L718 VanDerWaalsContact CA-O 3.32Å; E709-L718 WeakPolarHBondContact CA-O 3.33Å; E709-L718 PolarHBondContact N-O 2.65Å; E709-S719 PolarHBondContact N-OG 3.22Å; E709-R737 HydrophobicContact CG-CG 3.73Å; E709-R737 IonicContact OE1-NE 2.67Å |
| 710 | V | 90.9 | Very high | 90.9 | Very high | 58 Ų | 58 | 54 Ų | 54 | 35% | 0.352 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | -26.9 | -175.7 | -69.5 | 0 | 0 | 0 | 0 | 115.3 | E707 N708 L718 R720 | E707-V710 HydrophobicContact CB-CG1 3.3Å; E707-V710 HydrophobicContact CG-CG1 4.38Å; E707-V710 WeakPolarHBondContact OE2-CG1 3.49Å; N708-V710 VanDerWaalsContact C-N 3.34Å; N708-V710 PolarHBondContact O-N 2.94Å; V710-L718 WeakPolarHBondContact CG2-O 3.31Å; V710-L718 PolarHBondContact N-O 3.32Å; V710-R720 HydrophobicContact CG2-CB 4.08Å |
| 711 | T | 90.6 | Very high | 91.8 | Very high | 70 Ų | 70 | 51.6 Ų | 51.6 | 43% | 0.429 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 165.4 | 179.9 | -169 | 0 | 0 | 0 | 0 | 111.1 | E709 V713 L718 | E709-T711 VanDerWaalsContact C-N 3.33Å; E709-T711 PolarHBondContact O-N 3.27Å; T711-V713 HydrophobicContact CG2-CG2 4.28Å; T711-L718 HydrophobicContact CG2-CB 4.04Å; T711-L718 HydrophobicContact CG2-CD1 4.1Å; T711-L718 HydrophobicContact CG2-CG 4.44Å; T711-L718 PolarHBondContact O-N 3.19Å |
| 712 | V | 90.9 | Very high | 92.3 | Very high | 89 Ų | 89 | 50.9 Ų | 50.9 | 54% | 0.539 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 118.7 | 178.6 | -171.9 | 0 | 0 | 0 | 0 | 109 | V716 K717 | V712-V716 WeakPolarHBondContact CA-O 3.4Å; V712-K717 HydrophobicContact CG2-CG 4.15Å |
| 713 | V | 85.6 | Confident | 92.6 | Very high | 88 Ų | 88 | 50.8 Ų | 50.8 | 53% | 0.533 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 123.4 | -179.2 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | T711 G715 V716 L718 | T711-V713 HydrophobicContact CG2-CG2 4.28Å; V713-G715 PolarHBondContact O-N 2.94Å; V713-V716 PolarHBondContact N-O 2.99Å; V713-V716 WeakPolarHBondContact O-CB 3.5Å; V713-V716 PolarHBondContact O-N 2.89Å; V713-L718 HydrophobicContact CB-CD1 4.14Å; V713-L718 HydrophobicContact CG2-CD1 3.81Å |
| 714 | G | 82 | Confident | 92.6 | Very high | 85 Ų | 85 | 49.5 Ų | 49.5 | 88% | 0.876 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 28.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | V716 | G714-V716 PolarHBondContact O-N 2.83Š|
| 715 | G | 84.8 | Confident | 92.3 | Very high | 68 Ų | 68 | 52.5 Ų | 52.5 | 70% | 0.701 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.1 | -6.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115 | V713 | V713-G715 PolarHBondContact O-N 2.94Š|
| 716 | V | 86.6 | Confident | 91.8 | Very high | 67 Ų | 67 | 53.1 Ų | 53.1 | 41% | 0.406 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 121.5 | 176.3 | -175.4 | 0 | 0 | 0 | 0 | 109.5 | V712 V713 G714 L718 T735 | V712-V716 WeakPolarHBondContact CA-O 3.4Å; V713-V716 PolarHBondContact N-O 2.99Å; V713-V716 WeakPolarHBondContact O-CB 3.5Å; V713-V716 PolarHBondContact O-N 2.89Å; G714-V716 PolarHBondContact O-N 2.83Å; V716-L718 HydrophobicContact CG1-CD2 4.2Å; V716-T735 HydrophobicContact CG1-CG2 3.66Å |
| 717 | K | 91.6 | Very high | 91 | Very high | 103 Ų | 103 | 56.2 Ų | 56.2 | 45% | 0.448 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 132.5 | 169.1 | -59.9 | -169 | -178.1 | -178.3 | 0 | 110 | E709 V712 | E709-K717 HydrophobicContact CB-CD 4.14Å; E709-K717 HydrophobicContact CG-CB 4.44Å; E709-K717 HydrophobicContact CG-CD 3.82Å; E709-K717 WeakPolarHBondContact OE1-CD 3.46Å; E709-K717 IonicContact OE1-NZ 3.57Å; E709-K717 PolarHBondContact OE1-NZ 3.04Å; E709-K717 IonicContact OE2-NZ 2.91Å; E709-K717 PolarHBondContact OE2-NZ 3.01Å; V712-K717 HydrophobicContact CG2-CG 4.15Å |
| 718 | L | 93.9 | Very high | 90.5 | Very high | 27 Ų | 27 | 60.7 Ų | 60.7 | 14% | 0.141 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 132.6 | 178.1 | -59.4 | -178.3 | 0 | 0 | 0 | 110.6 | E709 V710 T711 V713 V716 V733 T735 | E709-L718 CarbonylContact C-O 3.59Å; E709-L718 VanDerWaalsContact CA-O 3.32Å; E709-L718 WeakPolarHBondContact CA-O 3.33Å; E709-L718 PolarHBondContact N-O 2.65Å; V710-L718 WeakPolarHBondContact CG2-O 3.31Å; V710-L718 PolarHBondContact N-O 3.32Å; T711-L718 HydrophobicContact CG2-CB 4.04Å; T711-L718 HydrophobicContact CG2-CD1 4.1Å; T711-L718 HydrophobicContact CG2-CG 4.44Å; T711-L718 PolarHBondContact O-N 3.19Å; V713-L718 HydrophobicContact CB-CD1 4.14Å; V713-L718 HydrophobicContact CG2-CD1 3.81Å; V716-L718 HydrophobicContact CG1-CD2 4.2Å; L718-V733 HydrophobicContact CB-CB 4.39Å; L718-V733 HydrophobicContact CB-CG1 4.49Å; L718-V733 HydrophobicContact CD1-CB 4.43Å; L718-V733 HydrophobicContact CD1-CG2 4.35Å; L718-T735 HydrophobicContact CD2-CG2 4.04Å |
| 719 | S | 96.3 | Very high | 90.4 | Very high | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.014 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 134.5 | 166.3 | -51.4 | 0 | 0 | 0 | 0 | 108.6 | E707 N708 E709 V733 L734 S736 | E707-S719 CarbonylContact O-C 3.58Å; E707-S719 VanDerWaalsContact O-CA 3.29Å; E707-S719 WeakPolarHBondContact O-CA 3.49Å; N708-S719 WeakPolarHBondContact OD1-CB 3.41Å; N708-S719 PolarHBondContact OD1-OG 2.79Å; E709-S719 PolarHBondContact N-OG 3.22Å; S719-V733 CarbonylContact O-C 3.53Å; S719-V733 WeakPolarHBondContact O-CA 3.36Å; S719-L734 PolarHBondContact N-O 2.94Å; S719-L734 PolarHBondContact O-N 2.94Å; S719-S736 WeakPolarHBondContact CB-O 3.44Å; S719-S736 PolarHBondContact OG-O 2.8Å |
| 720 | R | 96.5 | Very high | 90.5 | Very high | 73 Ų | 73 | 63.6 Ų | 63.6 | 28% | 0.275 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 137.9 | 176.9 | -164.1 | -167.9 | -61.7 | -96.5 | -1.3 | 109.5 | E707 V710 K722 E731 | E707-R720 HydrophobicContact CB-CB 4.21Å; E707-R720 PolarHBondContact N-O 3.39Å; E707-R720 PolarHBondContact O-N 2.84Å; E707-R720 IonicContact OE2-NE 3.67Å; E707-R720 PolarHBondContact OE2-NE 3.22Å; V710-R720 HydrophobicContact CG2-CB 4.08Å; R720-K722 HydrophobicContact CG-CG 4.36Å; R720-E731 WeakPolarHBondContact CD-OE2 3.26Å; R720-E731 IonicContact CZ-OE2 3.58Å; R720-E731 IonicContact NE-OE2 3.85Å; R720-E731 IonicContact NH1-OE1 3.67Å; R720-E731 PolarHBondContact NH1-OE1 3.37Å; R720-E731 IonicContact NH1-OE2 3.46Å; R720-E731 PolarHBondContact NH1-OE2 2.95Å |
| 721 | L | 97.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 116.7 | 168.2 | 170.1 | 65.7 | 0 | 0 | 0 | 107.2 | I704 V706 W730 E731 T732 L734 I738 V748 V750 F760 | I704-L721 HydrophobicContact CG2-CD1 3.48Å; I704-L721 VanDerWaalsContact CG2-CD1 3.48Å; V706-L721 HydrophobicContact CG2-CD1 4Å; L721-W730 HydrophobicContact CD2-CH2 4.01Å; L721-W730 HydrophobicContact CD2-CZ3 4.16Å; L721-W730 HydrophobicContact CG-CH2 4.2Å; L721-W730 HydrophobicContact CG-CZ3 4.1Å; L721-E731 CarbonylContact O-C 3.57Å; L721-E731 WeakPolarHBondContact O-CA 3.32Å; L721-T732 HydrophobicContact CB-CG2 4.09Å; L721-T732 HydrophobicContact CD2-CG2 4.11Å; L721-T732 HydrophobicContact CG-CG2 4.4Å; L721-T732 PolarHBondContact N-O 2.83Å; L721-T732 PolarHBondContact O-N 3.37Å; L721-L734 HydrophobicContact CB-CD1 3.95Å; L721-L734 HydrophobicContact CD2-CD1 4.25Å; L721-I738 HydrophobicContact CB-CD1 3.94Å; L721-I738 HydrophobicContact CD1-CD1 4.46Å; L721-V748 HydrophobicContact CD2-CG1 4.4Å; L721-V750 HydrophobicContact CD1-CG1 3.89Å; L721-V750 HydrophobicContact CD2-CG1 3.73Å; L721-V750 HydrophobicContact CD2-CG2 4.18Å; L721-V750 HydrophobicContact CG-CG1 4.48Å; L721-F760 HydrophobicContact CD2-CD2 3.82Å; L721-F760 HydrophobicContact CD2-CE2 3.59Å; L721-F760 HydrophobicContact CD2-CZ 4.23Å |
| 722 | K | 96.1 | Very high | 91 | Very high | 38 Ų | 38 | 64.3 Ų | 64.3 | 17% | 0.165 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 153.7 | 169.5 | -63.6 | 156.2 | 161.1 | 168.2 | 0 | 109.8 | I704 E705 E707 R720 E729 W730 E731 | I704-K722 WeakPolarHBondContact CA-O 3.38Å; E705-K722 HydrophobicContact CB-CB 4.16Å; E705-K722 HydrophobicContact CB-CD 4.05Å; E705-K722 HydrophobicContact CG-CD 4.45Å; E705-K722 PolarHBondContact N-O 2.9Å; E705-K722 PolarHBondContact O-N 3.21Å; E705-K722 WeakPolarHBondContact OE2-CD 3.31Å; E705-K722 IonicContact OE2-NZ 3.88Å; E705-K722 PolarHBondContact OE2-NZ 2.79Å; E707-K722 WeakPolarHBondContact OE1-CE 3.47Å; E707-K722 IonicContact OE1-NZ 3.66Å; E707-K722 PolarHBondContact OE1-NZ 2.91Å; R720-K722 HydrophobicContact CG-CG 4.36Å; K722-E729 WeakPolarHBondContact CD-OE1 3.35Å; K722-W730 CarbonylContact C-O 3.47Å; K722-W730 VanDerWaalsContact CA-O 3.3Å; K722-W730 WeakPolarHBondContact CA-O 3.28Å; K722-E731 HydrophobicContact CG-CB 3.89Å |
| 723 | C | 95.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.007 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 131.4 | 162.2 | -170 | 0 | 0 | 0 | 0 | 109.5 | M702 Y703 E729 W730 | M702-C723 VanDerWaalsContact CE-SG 3.52Å; Y703-C723 CarbonylContact O-C 3.58Å; Y703-C723 VanDerWaalsContact O-CA 3.31Å; Y703-C723 WeakPolarHBondContact O-CA 3.12Å; Y703-C723 PolarHBondContact O-SG 3.47Å; C723-E729 WeakPolarHBondContact O-CA 3.47Å; C723-W730 HydrophobicContact CB-CD2 4.06Å; C723-W730 VanDerWaalsContact CB-CE2 3.43Å; C723-W730 HydrophobicContact CB-CH2 4.14Å; C723-W730 HydrophobicContact CB-CZ2 3.51Å; C723-W730 PolarHBondContact N-O 3.09Å; C723-W730 PolarHBondContact O-N 2.89Å |
| 724 | N | 92.8 | Very high | 91.7 | Very high | 62 Ų | 62 | 59.9 Ų | 59.9 | 33% | 0.332 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 126.6 | 170.9 | -175 | -23.2 | 0 | 0 | 0 | 108.5 | M702 Y703 G727 K728 | M702-N724 WeakPolarHBondContact CA-O 3.4Å; Y703-N724 PolarHBondContact N-O 2.9Å; Y703-N724 PolarHBondContact O-N 2.88Å; N724-G727 WeakPolarHBondContact OD1-CA 3.42Å; N724-G727 PolarHBondContact OD1-N 2.85Å; N724-K728 WeakPolarHBondContact CA-O 3.33Å |
| 725 | R | 89.3 | Confident | 92.2 | Very high | 62 Ų | 62 | 60.3 Ų | 60.3 | 23% | 0.234 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 124.7 | 173.1 | 176.5 | 176 | 166 | 175.2 | -4.2 | 109 | S701 M702 G727 K728 C745 | S701-R725 WeakPolarHBondContact O-CA 3.41Å; M702-R725 HydrophobicContact CB-CB 4.48Å; M702-R725 HydrophobicContact CB-CG 4.45Å; M702-R725 HydrophobicContact CG-CB 4.12Å; M702-R725 HydrophobicContact CG-CG 4.4Å; R725-G727 PolarHBondContact O-N 3.45Å; R725-G727 VanDerWaalsContact O-N 3.11Å; R725-K728 PolarHBondContact N-O 2.89Å; R725-K728 WeakPolarHBondContact O-CB 3.4Å; R725-K728 PolarHBondContact O-N 3.27Å; R725-C745 PolarHBondContact NH1-O 3.28Å |
| 726 | E | 85.2 | Confident | 92.6 | Very high | 88 Ų | 88 | 58.2 Ų | 58.2 | 41% | 0.411 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 29.3 | 177.7 | -55.8 | 154 | -145.8 | 0 | 0 | 113.3 | P700 S701 K728 | P700-E726 HydrophobicContact CB-CG 3.67Å; P700-E726 WeakPolarHBondContact CB-OE1 3.4Å; S701-E726 PolarHBondContact O-N 3.02Å; E726-K728 VanDerWaalsContact C-N 3.3Å; E726-K728 PolarHBondContact O-N 3.49Å; E726-K728 IonicContact OE2-NZ 3.01Å |
| 727 | G | 80.5 | Confident | 93 | Very high | 65 Ų | 65 | 58.8 Ų | 58.8 | 67% | 0.67 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 0.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | N724 R725 | N724-G727 WeakPolarHBondContact OD1-CA 3.42Å; N724-G727 PolarHBondContact OD1-N 2.85Å; R725-G727 PolarHBondContact O-N 3.45Å; R725-G727 VanDerWaalsContact O-N 3.11Å |
| 728 | K | 86.3 | Confident | 93.2 | Very high | 145 Ų | 145 | 53.9 Ų | 53.9 | 63% | 0.63 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 112.8 | 170.6 | -62.2 | 162.3 | -170 | 148.6 | 0 | 108.5 | N724 R725 E726 | N724-K728 WeakPolarHBondContact CA-O 3.33Å; R725-K728 PolarHBondContact N-O 2.89Å; R725-K728 WeakPolarHBondContact O-CB 3.4Å; R725-K728 PolarHBondContact O-N 3.27Å; E726-K728 VanDerWaalsContact C-N 3.3Å; E726-K728 PolarHBondContact O-N 3.49Å; E726-K728 IonicContact OE2-NZ 3.01Å |
| 729 | E | 92.9 | Very high | 93.3 | Very high | 114 Ų | 114 | 53.4 Ų | 53.4 | 53% | 0.533 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 142.8 | 174.5 | -171.7 | 175.8 | -178.4 | 0 | 0 | 111.1 | K722 C723 | K722-E729 WeakPolarHBondContact CD-OE1 3.35Å; C723-E729 WeakPolarHBondContact O-CA 3.47Å |
| 730 | W | 95.9 | Very high | 93.3 | Very high | 30 Ų | 30 | 54.6 Ų | 54.6 | 11% | 0.114 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 152.9 | 158.3 | 61.4 | -99.7 | 0 | 0 | 0 | 110.2 | L721 K722 C723 T732 V748 F760 T762 G764 | L721-W730 HydrophobicContact CD2-CH2 4.01Å; L721-W730 HydrophobicContact CD2-CZ3 4.16Å; L721-W730 HydrophobicContact CG-CH2 4.2Å; L721-W730 HydrophobicContact CG-CZ3 4.1Å; K722-W730 CarbonylContact C-O 3.47Å; K722-W730 VanDerWaalsContact CA-O 3.3Å; K722-W730 WeakPolarHBondContact CA-O 3.28Å; C723-W730 HydrophobicContact CB-CD2 4.06Å; C723-W730 VanDerWaalsContact CB-CE2 3.43Å; C723-W730 HydrophobicContact CB-CH2 4.14Å; C723-W730 HydrophobicContact CB-CZ2 3.51Å; C723-W730 PolarHBondContact N-O 3.09Å; C723-W730 PolarHBondContact O-N 2.89Å; W730-T732 HydrophobicContact CZ3-CG2 3.84Å; W730-V748 HydrophobicContact CH2-CB 4.2Å; W730-V748 HydrophobicContact CH2-CG1 4.09Å; W730-V748 HydrophobicContact CZ2-CB 3.93Å; W730-V748 HydrophobicContact CZ2-CG1 4.22Å; W730-V748 HydrophobicContact CZ2-CG2 3.89Å; W730-F760 HydrophobicContact CH2-CB 4.11Å; W730-F760 HydrophobicContact CH2-CG 4.38Å; W730-T762 PolarHBondContact NE1-O 2.91Å; W730-G764 VanDerWaalsContact CE2-CA 3.46Å; W730-G764 VanDerWaalsContact CE2-N 3.3Å |
| 731 | E | 95.5 | Very high | 93.2 | Very high | 105 Ų | 105 | 51.3 Ų | 51.3 | 49% | 0.491 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 155.3 | 172.6 | 68.1 | 168.8 | -153.5 | 0 | 0 | 113.1 | R720 L721 K722 | R720-E731 WeakPolarHBondContact CD-OE2 3.26Å; R720-E731 IonicContact CZ-OE2 3.58Å; R720-E731 IonicContact NE-OE2 3.85Å; R720-E731 IonicContact NH1-OE1 3.67Å; R720-E731 PolarHBondContact NH1-OE1 3.37Å; R720-E731 IonicContact NH1-OE2 3.46Å; R720-E731 PolarHBondContact NH1-OE2 2.95Å; L721-E731 CarbonylContact O-C 3.57Å; L721-E731 WeakPolarHBondContact O-CA 3.32Å; K722-E731 HydrophobicContact CG-CB 3.89Å |
| 732 | T | 96.5 | Very high | 93.1 | Very high | 39 Ų | 39 | 51.9 Ų | 51.9 | 24% | 0.239 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 169.3 | 173.9 | -158.7 | 0 | 0 | 0 | 0 | 110.6 | L721 W730 L734 F760 | L721-T732 HydrophobicContact CB-CG2 4.09Å; L721-T732 HydrophobicContact CD2-CG2 4.11Å; L721-T732 HydrophobicContact CG-CG2 4.4Å; L721-T732 PolarHBondContact N-O 2.83Å; L721-T732 PolarHBondContact O-N 3.37Å; W730-T732 HydrophobicContact CZ3-CG2 3.84Å; T732-L734 HydrophobicContact CG2-CD1 4.03Å; T732-F760 HydrophobicContact CG2-CD1 4.16Å; T732-F760 HydrophobicContact CG2-CE1 3.6Å; T732-F760 HydrophobicContact CG2-CZ 3.83Å |
| 733 | V | 95.3 | Very high | 92.9 | Very high | 76 Ų | 76 | 50.5 Ų | 50.5 | 46% | 0.461 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 143.1 | -177.4 | -68.7 | 0 | 0 | 0 | 0 | 112.7 | L718 S719 | L718-V733 HydrophobicContact CB-CB 4.39Å; L718-V733 HydrophobicContact CB-CG1 4.49Å; L718-V733 HydrophobicContact CD1-CB 4.43Å; L718-V733 HydrophobicContact CD1-CG2 4.35Å; S719-V733 CarbonylContact O-C 3.53Å; S719-V733 WeakPolarHBondContact O-CA 3.36Å |
| 734 | L | 95.6 | Very high | 92.8 | Very high | 7 Ų | 7 | 51 Ų | 51 | 4% | 0.037 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 144.8 | 177.1 | -68.8 | 80.1 | 0 | 0 | 0 | 110 | S719 L721 T732 S736 I738 V750 F760 | S719-L734 PolarHBondContact N-O 2.94Å; S719-L734 PolarHBondContact O-N 2.94Å; L721-L734 HydrophobicContact CB-CD1 3.95Å; L721-L734 HydrophobicContact CD2-CD1 4.25Å; T732-L734 HydrophobicContact CG2-CD1 4.03Å; L734-S736 PolarHBondContact O-N 2.93Å; L734-I738 HydrophobicContact CD1-CD1 4.19Å; L734-I738 HydrophobicContact CD2-CD1 4.36Å; L734-I738 HydrophobicContact CD2-CG1 4.27Å; L734-V750 HydrophobicContact CD2-CG2 3.7Å; L734-F760 HydrophobicContact CD1-CE2 4.34Å; L734-F760 HydrophobicContact CD1-CZ 3.86Å; L734-F760 HydrophobicContact CD2-CE2 4.4Å; L734-F760 HydrophobicContact CD2-CZ 4.27Å; L734-F760 HydrophobicContact CG-CZ 4.25Å |
| 735 | T | 93 | Very high | 92.5 | Very high | 95 Ų | 95 | 51.7 Ų | 51.7 | 58% | 0.583 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -86.6 | 24.3 | -173.7 | 55 | 0 | 0 | 0 | 0 | 113.9 | V716 L718 | V716-T735 HydrophobicContact CG1-CG2 3.66Å; L718-T735 HydrophobicContact CD2-CG2 4.04Å |
| 736 | S | 92.4 | Very high | 92.6 | Very high | 23 Ų | 23 | 52.5 Ų | 52.5 | 16% | 0.161 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -159.4 | 158.2 | -175.5 | 52.6 | 0 | 0 | 0 | 0 | 109.8 | S719 L734 C752 | S719-S736 WeakPolarHBondContact CB-O 3.44Å; S719-S736 PolarHBondContact OG-O 2.8Å; L734-S736 PolarHBondContact O-N 2.93Å; S736-C752 WeakPolarHBondContact OG-CB 3.33Å |
| 737 | R | 94.8 | Very high | 93 | Very high | 80 Ų | 80 | 48.5 Ų | 48.5 | 30% | 0.302 | 27% | 0.273 | S | S | . | . | trans | -72.1 | 133.5 | 177.3 | -57.8 | -175.1 | -71.6 | -167.1 | 6.2 | 110.4 | N708 E709 C752 E753 | N708-R737 HydrophobicContact CB-CB 4.29Å; N708-R737 HydrophobicContact CB-CG 4.13Å; N708-R737 VanDerWaalsContact OD1-CA 3.29Å; N708-R737 WeakPolarHBondContact OD1-CA 3.47Å; E709-R737 HydrophobicContact CG-CG 3.73Å; E709-R737 IonicContact OE1-NE 2.67Å; R737-C752 CarbonylContact O-C 3.46Å; R737-C752 VanDerWaalsContact O-CA 3.23Å; R737-C752 WeakPolarHBondContact O-CA 3.44Å; R737-C752 WeakPolarHBondContact O-CB 3.49Å; R737-E753 HydrophobicContact CB-CG 4.14Å; R737-E753 WeakPolarHBondContact CB-OE2 3.46Å; R737-E753 IonicContact CZ-OE1 3.78Å; R737-E753 IonicContact CZ-OE2 3.98Å; R737-E753 VanDerWaalsContact NE-CD 3.26Å; R737-E753 IonicContact NE-OE1 2.95Å; R737-E753 PolarHBondContact NE-OE1 3.49Å; R737-E753 IonicContact NE-OE2 2.74Å; R737-E753 PolarHBondContact NE-OE2 2.84Å; R737-E753 IonicContact NH2-OE1 3.18Å; R737-E753 PolarHBondContact NH2-OE1 2.59Å; R737-E753 IonicContact NH2-OE2 3.66Å; R737-E753 PolarHBondContact O-N 3.31Å | ||
| 738 | I | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 129.5 | 172.5 | -62.2 | 164.3 | 0 | 0 | 0 | 107.5 | F692 V706 N708 L721 L734 V750 | F692-I738 HydrophobicContact CE1-CG2 4.46Å; F692-I738 HydrophobicContact CZ-CG2 4.09Å; V706-I738 HydrophobicContact CG1-CB 3.78Å; V706-I738 HydrophobicContact CG1-CD1 4.12Å; V706-I738 HydrophobicContact CG1-CG2 4.14Å; V706-I738 HydrophobicContact CG2-CB 4.39Å; V706-I738 HydrophobicContact CG2-CD1 4.07Å; V706-I738 HydrophobicContact CG2-CG2 3.98Å; N708-I738 PolarHBondContact ND2-O 2.95Å; N708-I738 PolarHBondContact OD1-N 3.4Å; L721-I738 HydrophobicContact CB-CD1 3.94Å; L721-I738 HydrophobicContact CD1-CD1 4.46Å; L734-I738 HydrophobicContact CD1-CD1 4.19Å; L734-I738 HydrophobicContact CD2-CD1 4.36Å; L734-I738 HydrophobicContact CD2-CG1 4.27Å; I738-V750 HydrophobicContact CD1-CG2 4.47Å; I738-V750 HydrophobicContact CG1-CG2 4.46Å; I738-V750 HydrophobicContact CG2-CB 4.03Å |
| 739 | L | 95.4 | Very high | 94.3 | Very high | 16 Ų | 16 | 38.5 Ų | 38.5 | 8% | 0.084 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | -37.5 | -178.5 | -62.8 | 177.5 | 0 | 0 | 0 | 111.7 | P686 P688 A751 E753 I777 | P686-L739 HydrophobicContact CB-CB 4.37Å; P686-L739 WeakPolarHBondContact CB-O 3.45Å; P688-L739 HydrophobicContact CB-CD2 3.91Å; L739-A751 PolarHBondContact N-O 3.45Å; L739-E753 HydrophobicContact CD1-CG 4.16Å; L739-E753 HydrophobicContact CD2-CG 3.79Å; L739-E753 HydrophobicContact CG-CG 4.03Å; L739-I777 HydrophobicContact CB-CG2 4.36Å; L739-I777 HydrophobicContact CD1-CG2 4.4Å |
| 740 | T | 95.9 | Very high | 94.5 | Very high | 28 Ų | 28 | 33 Ų | 33 | 17% | 0.172 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 158.3 | 175.5 | -173 | 0 | 0 | 0 | 0 | 110.8 | P686 A751 I777 L780 | P686-T740 HydrophobicContact CG-CG2 4.12Å; T740-A751 HydrophobicContact CG2-CB 4.14Å; T740-A751 PolarHBondContact N-O 2.95Å; T740-A751 PolarHBondContact O-N 3.49Å; T740-I777 HydrophobicContact CG2-CG1 3.95Å; T740-I777 HydrophobicContact CG2-CG2 3.88Å; T740-L780 HydrophobicContact CG2-CD1 4.27Å; T740-L780 HydrophobicContact CG2-CG 4.24Å |
| 741 | A | 95.4 | Very high | 94.5 | Very high | 4 Ų | 4 | 31.7 Ų | 31.7 | 3% | 0.033 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 159.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110 | F692 L694 I704 C749 V750 | F692-A741 HydrophobicContact CE2-CB 4.35Å; L694-A741 HydrophobicContact CD2-CB 4.38Å; L694-A741 WeakPolarHBondContact CD2-O 3.46Å; I704-A741 HydrophobicContact CD1-CB 4.18Å; I704-A741 HydrophobicContact CG2-CB 4.02Å; A741-C749 CarbonylContact C-O 3.27Å; A741-C749 WeakPolarHBondContact CA-O 3.38Å; A741-V750 HydrophobicContact CB-CG1 3.8Å |
| 742 | A | 94.7 | Very high | 94.5 | Very high | 11 Ų | 11 | 26.8 Ų | 26.8 | 9% | 0.091 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 178.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | I704 C749 L780 | I704-A742 WeakPolarHBondContact CD1-O 3.42Å; A742-C749 VanDerWaalsContact CB-SG 3.58Å; A742-C749 PolarHBondContact N-O 3.01Å; A742-C749 PolarHBondContact O-N 2.82Å; A742-C749 VanDerWaalsContact O-O 3.12Å; A742-C749 PolarHBondContact O-SG 2.89Å; A742-L780 HydrophobicContact CB-CB 3.95Å |
| 743 | G | 92.1 | Very high | 94.2 | Very high | 10 Ų | 10 | 27.5 Ų | 27.5 | 10% | 0.103 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.4 | 179.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V696 V747 | V696-G743 WeakPolarHBondContact CG1-O 3.36Å; G743-V747 CarbonylContact C-O 3.58Å; G743-V747 WeakPolarHBondContact CA-O 3.38Å |
| 744 | S | 91.6 | Very high | 94.1 | Very high | 12 Ų | 12 | 31.8 Ų | 31.8 | 8% | 0.084 | 17% | 0.172 | C | C | . | . | trans | -147.9 | -173.9 | 178.7 | 73.7 | 0 | 0 | 0 | 0 | 110.2 | D746 V747 G784 | S744-D746 PolarHBondContact O-N 3.42Å; S744-D746 VanDerWaalsContact O-N 3.15Å; S744-D746 PolarHBondContact OG-N 2.98Å; S744-V747 PolarHBondContact N-O 3.34Å; S744-V747 PolarHBondContact OG-N 3.41Å; S744-V747 VanDerWaalsContact OG-N 3.11Å; S744-G784 WeakPolarHBondContact CB-O 3.41Å; S744-G784 PolarHBondContact OG-O 3.06Å | ||
| 745 | C | 87.5 | Confident | 94.1 | Very high | 76 Ų | 76 | 36.4 Ų | 36.4 | 51% | 0.514 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -60.9 | -14.6 | 169.1 | 55.9 | 0 | 0 | 0 | 0 | 114.4 | R725 T762 | R725-C745 PolarHBondContact NH1-O 3.28Å; C745-T762 WeakPolarHBondContact O-CG2 3.5Å |
| 746 | D | 90.1 | Very high | 94.2 | Very high | 78 Ų | 78 | 34.2 Ų | 34.2 | 42% | 0.417 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -119.8 | -34.1 | -170.2 | -53.9 | -24.6 | 0 | 0 | 0 | 113.4 | S744 T762 G784 S785 | S744-D746 PolarHBondContact O-N 3.42Å; S744-D746 VanDerWaalsContact O-N 3.15Å; S744-D746 PolarHBondContact OG-N 2.98Å; D746-T762 PolarHBondContact O-N 3.38Å; D746-G784 WeakPolarHBondContact OD2-CA 3.49Å; D746-S785 PolarHBondContact OD2-N 3.11Å |
| 747 | V | 94.9 | Very high | 94.5 | Very high | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.024 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 156.1 | -170.8 | -56.5 | 0 | 0 | 0 | 0 | 113.6 | G743 S744 V759 F760 L767 C782 V787 V801 | G743-V747 CarbonylContact C-O 3.58Å; G743-V747 WeakPolarHBondContact CA-O 3.38Å; S744-V747 PolarHBondContact N-O 3.34Å; S744-V747 PolarHBondContact OG-N 3.41Å; S744-V747 VanDerWaalsContact OG-N 3.11Å; V747-V759 HydrophobicContact CB-CG1 4.13Å; V747-V759 HydrophobicContact CG1-CG1 4.49Å; V747-F760 CarbonylContact C-O 3.6Å; V747-F760 VanDerWaalsContact CA-O 3.31Å; V747-F760 WeakPolarHBondContact CA-O 3.31Å; V747-L767 HydrophobicContact CG1-CD1 3.8Å; V747-C782 HydrophobicContact CG2-CB 4.42Å; V747-V787 HydrophobicContact CG2-CG2 4.14Å; V747-V801 HydrophobicContact CG1-CG2 3.7Å |
| 748 | V | 96 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 128.7 | 166.7 | 168.9 | 0 | 0 | 0 | 0 | 108.7 | M702 I704 L721 W730 V750 V759 F760 | M702-V748 HydrophobicContact CE-CG2 3.66Å; I704-V748 HydrophobicContact CD1-CG1 3.71Å; I704-V748 HydrophobicContact CD1-CG2 4.25Å; I704-V748 HydrophobicContact CG1-CG1 4.23Å; L721-V748 HydrophobicContact CD2-CG1 4.4Å; W730-V748 HydrophobicContact CH2-CB 4.2Å; W730-V748 HydrophobicContact CH2-CG1 4.09Å; W730-V748 HydrophobicContact CZ2-CB 3.93Å; W730-V748 HydrophobicContact CZ2-CG1 4.22Å; W730-V748 HydrophobicContact CZ2-CG2 3.89Å; V748-V750 HydrophobicContact CG1-CG1 4.35Å; V748-V759 WeakPolarHBondContact O-CA 3.25Å; V748-F760 PolarHBondContact N-O 3.01Å; V748-F760 PolarHBondContact O-N 2.82Å |
| 749 | C | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 122.3 | -167.3 | 47.9 | 0 | 0 | 0 | 0 | 109.2 | A741 A742 C782 V787 | A741-C749 CarbonylContact C-O 3.27Å; A741-C749 WeakPolarHBondContact CA-O 3.38Å; A742-C749 VanDerWaalsContact CB-SG 3.58Å; A742-C749 PolarHBondContact N-O 3.01Å; A742-C749 PolarHBondContact O-N 2.82Å; A742-C749 VanDerWaalsContact O-O 3.12Å; A742-C749 PolarHBondContact O-SG 2.89Å; C749-C782 WeakPolarHBondContact CB-SG 3.29Å; C749-C782 WeakPolarHBondContact SG-CB 3.41Å; C749-C782 CovalentContact SG-SG 2.04Å; C749-C782 PolarHBondContact SG-SG 2.85Å; C749-V787 HydrophobicContact CB-CG1 4.06Å; C749-V787 HydrophobicContact CB-CG2 4.19Å |
| 750 | V | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 134.5 | -175.5 | -54.5 | 0 | 0 | 0 | 0 | 112.2 | L721 L734 I738 A741 V748 L757 S758 F760 | L721-V750 HydrophobicContact CD1-CG1 3.89Å; L721-V750 HydrophobicContact CD2-CG1 3.73Å; L721-V750 HydrophobicContact CD2-CG2 4.18Å; L721-V750 HydrophobicContact CG-CG1 4.48Å; L734-V750 HydrophobicContact CD2-CG2 3.7Å; I738-V750 HydrophobicContact CD1-CG2 4.47Å; I738-V750 HydrophobicContact CG1-CG2 4.46Å; I738-V750 HydrophobicContact CG2-CB 4.03Å; A741-V750 HydrophobicContact CB-CG1 3.8Å; V748-V750 HydrophobicContact CG1-CG1 4.35Å; V750-L757 WeakPolarHBondContact O-CD1 3.27Å; V750-S758 PolarHBondContact N-O 3.48Å; V750-S758 PolarHBondContact O-N 2.79Å; V750-F760 HydrophobicContact CG2-CE2 3.91Å |
| 751 | A | 97.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.008 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 131.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | L739 T740 I777 L780 | L739-A751 PolarHBondContact N-O 3.45Å; T740-A751 HydrophobicContact CG2-CB 4.14Å; T740-A751 PolarHBondContact N-O 2.95Å; T740-A751 PolarHBondContact O-N 3.49Å; A751-I777 HydrophobicContact CB-CB 3.69Å; A751-I777 HydrophobicContact CB-CD1 4.18Å; A751-I777 HydrophobicContact CB-CG1 3.63Å; A751-I777 HydrophobicContact CB-CG2 3.68Å; A751-L780 HydrophobicContact CB-CD1 3.74Å; A751-L780 HydrophobicContact CB-CG 4.18Å |
| 752 | C | 95.3 | Very high | 94.4 | Very high | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.02 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 169.1 | -172.4 | -53.9 | 0 | 0 | 0 | 0 | 111.6 | S736 R737 M756 | S736-C752 WeakPolarHBondContact OG-CB 3.33Å; R737-C752 CarbonylContact O-C 3.46Å; R737-C752 VanDerWaalsContact O-CA 3.23Å; R737-C752 WeakPolarHBondContact O-CA 3.44Å; R737-C752 WeakPolarHBondContact O-CB 3.49Å; C752-M756 HydrophobicContact CB-CB 4.41Å; C752-M756 PolarHBondContact N-O 3.31Å; C752-M756 PolarHBondContact O-N 3.09Å |
| 753 | E | 90.6 | Very high | 94.2 | Very high | 54 Ų | 54 | 34.4 Ų | 34.4 | 25% | 0.252 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -52.4 | 162.5 | 163.5 | -68.5 | -173.4 | 133.9 | 0 | 0 | 112.3 | R737 L739 R755 | R737-E753 HydrophobicContact CB-CG 4.14Å; R737-E753 WeakPolarHBondContact CB-OE2 3.46Å; R737-E753 IonicContact CZ-OE1 3.78Å; R737-E753 IonicContact CZ-OE2 3.98Å; R737-E753 VanDerWaalsContact NE-CD 3.26Å; R737-E753 IonicContact NE-OE1 2.95Å; R737-E753 PolarHBondContact NE-OE1 3.49Å; R737-E753 IonicContact NE-OE2 2.74Å; R737-E753 PolarHBondContact NE-OE2 2.84Å; R737-E753 IonicContact NH2-OE1 3.18Å; R737-E753 PolarHBondContact NH2-OE1 2.59Å; R737-E753 IonicContact NH2-OE2 3.66Å; R737-E753 PolarHBondContact O-N 3.31Å; L739-E753 HydrophobicContact CD1-CG 4.16Å; L739-E753 HydrophobicContact CD2-CG 3.79Å; L739-E753 HydrophobicContact CG-CG 4.03Å; E753-R755 PolarHBondContact O-N 3.33Å |
| 754 | K | 91.5 | Very high | 94.2 | Very high | 166 Ų | 166 | 34.4 Ų | 34.4 | 72% | 0.722 | 18% | 0.184 | S | C | * | . | G | 310 helix | trans | 64.1 | 12.5 | -173.4 | -49 | 172.9 | -176.6 | 172.2 | 0 | 114.4 | M756 | K754-M756 HydrophobicContact CB-CG 4.38Š|
| 755 | R | 95.2 | Very high | 94.4 | Very high | 103 Ų | 103 | 41.2 Ų | 41.2 | 39% | 0.389 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | 72.6 | 30.2 | 178.2 | -47.3 | 173 | -70.2 | -178.3 | -4.5 | 114.2 | E753 L772 L773 P774 P776 | E753-R755 PolarHBondContact O-N 3.33Å; R755-L772 HydrophobicContact CB-CD1 4.11Å; R755-L773 HydrophobicContact CB-CB 4.23Å; R755-L773 WeakPolarHBondContact CB-O 3.49Å; R755-L773 WeakPolarHBondContact CD-O 3.37Å; R755-L773 PolarHBondContact O-N 2.88Å; R755-P774 PolarHBondContact NH1-O 3.24Å; R755-P776 HydrophobicContact CG-CG 4.12Å |
| 756 | M | 96.8 | Very high | 94.7 | Very high | 50 Ų | 50 | 41.6 Ų | 41.6 | 25% | 0.246 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 121.9 | -176 | -53.9 | -51.1 | -59.2 | 0 | 0 | 112.2 | C752 K754 P770 I771 L772 | C752-M756 HydrophobicContact CB-CB 4.41Å; C752-M756 PolarHBondContact N-O 3.31Å; C752-M756 PolarHBondContact O-N 3.09Å; K754-M756 HydrophobicContact CB-CG 4.38Å; M756-P770 HydrophobicContact CE-CB 3.58Å; M756-P770 WeakPolarHBondContact CE-O 3.46Å; M756-I771 CarbonylContact C-O 3.58Å; M756-I771 WeakPolarHBondContact CA-O 3.49Å; M756-L772 HydrophobicContact CE-CB 4.42Å; M756-L772 HydrophobicContact SD-CB 4.45Å; M756-L772 HydrophobicContact SD-CD1 3.8Å |
| 757 | L | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 127.6 | 170.6 | 172.1 | 59.5 | 0 | 0 | 0 | 109.9 | V750 V759 P770 I771 L773 L780 V787 A789 W799 | V750-L757 WeakPolarHBondContact O-CD1 3.27Å; L757-V759 HydrophobicContact CG-CG2 4.46Å; L757-P770 CarbonylContact O-C 3.4Å; L757-P770 WeakPolarHBondContact O-CA 3.24Å; L757-I771 HydrophobicContact CB-CB 4.25Å; L757-I771 PolarHBondContact N-O 2.93Å; L757-I771 PolarHBondContact O-N 2.94Å; L757-L773 HydrophobicContact CB-CD1 4.29Å; L757-L773 HydrophobicContact CB-CD2 4.23Å; L757-L773 HydrophobicContact CB-CG 4.19Å; L757-L773 HydrophobicContact CD2-CD2 4.19Å; L757-L780 HydrophobicContact CD1-CD1 4.09Å; L757-L780 HydrophobicContact CD1-CD2 3.88Å; L757-V787 HydrophobicContact CD2-CG1 4.17Å; L757-A789 HydrophobicContact CD2-CB 4.34Å; L757-W799 HydrophobicContact CD2-CE3 4.17Å; L757-W799 HydrophobicContact CD2-CH2 4.06Å; L757-W799 HydrophobicContact CD2-CZ3 3.56Å |
| 758 | S | 97.6 | Very high | 94.9 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 3% | 0.028 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 140.6 | 175.1 | -73.6 | 0 | 0 | 0 | 0 | 110.8 | V750 R766 | V750-S758 PolarHBondContact N-O 3.48Å; V750-S758 PolarHBondContact O-N 2.79Å; S758-R766 VanDerWaalsContact CB-NH1 3.34Å; S758-R766 PolarHBondContact OG-NH1 3.2Å; S758-R766 PolarHBondContact OG-NH2 3.27Å |
| 759 | V | 97.7 | Very high | 94.9 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 134.9 | 179.3 | -166.8 | 0 | 0 | 0 | 0 | 110.5 | V747 V748 L757 L767 V787 V801 | V747-V759 HydrophobicContact CB-CG1 4.13Å; V747-V759 HydrophobicContact CG1-CG1 4.49Å; V748-V759 WeakPolarHBondContact O-CA 3.25Å; L757-V759 HydrophobicContact CG-CG2 4.46Å; V759-L767 HydrophobicContact CG1-CD1 4.39Å; V759-L767 PolarHBondContact O-N 3.27Å; V759-V787 HydrophobicContact CG1-CG2 4.06Å; V759-V787 HydrophobicContact CG2-CG1 4.48Å; V759-V787 HydrophobicContact CG2-CG2 4.25Å; V759-V801 HydrophobicContact CG1-CG1 4.33Å; V759-V801 HydrophobicContact CG1-CG2 4.01Å; V759-V801 HydrophobicContact CG2-CG1 4.43Å |
| 760 | F | 97 | Very high | 94.8 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 0% | 0.004 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 156.3 | -174.6 | -57.2 | -91.1 | 0 | 0 | 0 | 110.2 | L721 W730 T732 L734 V747 V748 V750 G764 R765 R766 | L721-F760 HydrophobicContact CD2-CD2 3.82Å; L721-F760 HydrophobicContact CD2-CE2 3.59Å; L721-F760 HydrophobicContact CD2-CZ 4.23Å; W730-F760 HydrophobicContact CH2-CB 4.11Å; W730-F760 HydrophobicContact CH2-CG 4.38Å; T732-F760 HydrophobicContact CG2-CD1 4.16Å; T732-F760 HydrophobicContact CG2-CE1 3.6Å; T732-F760 HydrophobicContact CG2-CZ 3.83Å; L734-F760 HydrophobicContact CD1-CE2 4.34Å; L734-F760 HydrophobicContact CD1-CZ 3.86Å; L734-F760 HydrophobicContact CD2-CE2 4.4Å; L734-F760 HydrophobicContact CD2-CZ 4.27Å; L734-F760 HydrophobicContact CG-CZ 4.25Å; V747-F760 CarbonylContact C-O 3.6Å; V747-F760 VanDerWaalsContact CA-O 3.31Å; V747-F760 WeakPolarHBondContact CA-O 3.31Å; V748-F760 PolarHBondContact N-O 3.01Å; V748-F760 PolarHBondContact O-N 2.82Å; V750-F760 HydrophobicContact CG2-CE2 3.91Å; F760-G764 WeakPolarHBondContact CD1-O 3.4Å; F760-R765 CarbonylContact C-O 3.5Å; F760-R765 WeakPolarHBondContact CA-O 3.37Å; F760-R766 HydrophobicContact CD1-CB 4.03Å; F760-R766 HydrophobicContact CE1-CB 4.03Å |
| 761 | S | 94.8 | Very high | 94.8 | Very high | 12 Ų | 12 | 51.2 Ų | 51.2 | 8% | 0.084 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 169.7 | 169.4 | 61.3 | 0 | 0 | 0 | 0 | 111.9 | C763 G764 R765 | S761-C763 PolarHBondContact O-N 3.43Å; S761-C763 PolarHBondContact OG-N 2.9Å; S761-C763 PolarHBondContact OG-SG 3.23Å; S761-G764 PolarHBondContact O-N 3.46Å; S761-R765 PolarHBondContact N-O 3.02Å; S761-R765 PolarHBondContact OG-N 2.94Å; S761-R765 VanDerWaalsContact OG-N 3.14Å; S761-R765 PolarHBondContact OG-O 3Å |
| 762 | T | 90.1 | Very high | 94.8 | Very high | 56 Ų | 56 | 56.1 Ų | 56.1 | 34% | 0.344 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -13.9 | 164.5 | 45.3 | 0 | 0 | 0 | 0 | 115.8 | W730 C745 D746 | W730-T762 PolarHBondContact NE1-O 2.91Å; C745-T762 WeakPolarHBondContact O-CG2 3.5Å; D746-T762 PolarHBondContact O-N 3.38Å |
| 763 | C | 90.8 | Very high | 94.8 | Very high | 90 Ų | 90 | 56.1 Ų | 56.1 | 61% | 0.608 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.2 | 21.8 | 176.7 | 61.5 | 0 | 0 | 0 | 0 | 113.5 | S761 R765 | S761-C763 PolarHBondContact O-N 3.43Å; S761-C763 PolarHBondContact OG-N 2.9Å; S761-C763 PolarHBondContact OG-SG 3.23Å; C763-R765 PolarHBondContact O-N 3.39Å |
| 764 | G | 91.6 | Very high | 94.9 | Very high | 11 Ų | 11 | 56.3 Ų | 56.3 | 11% | 0.113 | 29% | 0.292 | C | S | . | . | S | Bend | trans | 76.7 | -0.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | W730 F760 S761 R766 | W730-G764 VanDerWaalsContact CE2-CA 3.46Å; W730-G764 VanDerWaalsContact CE2-N 3.3Å; F760-G764 WeakPolarHBondContact CD1-O 3.4Å; S761-G764 PolarHBondContact O-N 3.46Å; G764-R766 PolarHBondContact O-N 3.18Å |
| 765 | R | 94.8 | Very high | 95 | Very high | 155 Ų | 155 | 49.4 Ų | 49.4 | 59% | 0.585 | 27% | 0.265 | S | S | * | . | trans | -72.3 | 122 | 174.5 | -171 | -175.6 | 66.1 | 80 | -14.6 | 109.4 | F760 S761 C763 L767 | F760-R765 CarbonylContact C-O 3.5Å; F760-R765 WeakPolarHBondContact CA-O 3.37Å; S761-R765 PolarHBondContact N-O 3.02Å; S761-R765 PolarHBondContact OG-N 2.94Å; S761-R765 VanDerWaalsContact OG-N 3.14Å; S761-R765 PolarHBondContact OG-O 3Å; C763-R765 PolarHBondContact O-N 3.39Å; R765-L767 PolarHBondContact O-N 2.94Å | ||
| 766 | R | 95.1 | Very high | 94.9 | Very high | 84 Ų | 84 | 46.8 Ų | 46.8 | 32% | 0.317 | 26% | 0.261 | S | S | . | . | B | Isolated β-bridge | trans | -53.5 | 123.2 | 168.8 | 177.8 | 171.8 | -71.2 | -78.6 | 1 | 110.1 | S758 F760 G764 L768 | S758-R766 VanDerWaalsContact CB-NH1 3.34Å; S758-R766 PolarHBondContact OG-NH1 3.2Å; S758-R766 PolarHBondContact OG-NH2 3.27Å; F760-R766 HydrophobicContact CD1-CB 4.03Å; F760-R766 HydrophobicContact CE1-CB 4.03Å; G764-R766 PolarHBondContact O-N 3.18Å; R766-L768 WeakPolarHBondContact CD-O 3.48Å; R766-L768 WeakPolarHBondContact CG-O 3.42Å; R766-L768 PolarHBondContact NH1-O 2.73Å |
| 767 | L | 94.2 | Very high | 94.9 | Very high | 39 Ų | 39 | 44.6 Ų | 44.6 | 20% | 0.204 | 25% | 0.25 | C | S | . | . | trans | -87.5 | -40.8 | -179.9 | -66.8 | -178.1 | 0 | 0 | 0 | 111.9 | V747 V759 R765 V801 | V747-L767 HydrophobicContact CG1-CD1 3.8Å; V759-L767 HydrophobicContact CG1-CD1 4.39Å; V759-L767 PolarHBondContact O-N 3.27Å; R765-L767 PolarHBondContact O-N 2.94Å; L767-V801 HydrophobicContact CD1-CG2 4.14Å | ||
| 768 | L | 93.9 | Very high | 94.6 | Very high | 35 Ų | 35 | 45 Ų | 45 | 18% | 0.183 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -129.4 | 153.2 | -175.3 | -62 | 176 | 0 | 0 | 0 | 111.5 | R766 I771 V801 Q804 | R766-L768 WeakPolarHBondContact CD-O 3.48Å; R766-L768 WeakPolarHBondContact CG-O 3.42Å; R766-L768 PolarHBondContact NH1-O 2.73Å; L768-I771 HydrophobicContact CD1-CD1 4.26Å; L768-V801 HydrophobicContact CD1-CB 3.96Å; L768-V801 HydrophobicContact CD1-CG1 3.76Å; L768-Q804 HydrophobicContact CD2-CG 4.1Å |
| 769 | S | 95.5 | Very high | 94.3 | Very high | 102 Ų | 102 | 46.9 Ų | 46.9 | 71% | 0.713 | 27% | 0.265 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 145.6 | 162.5 | -63.3 | 0 | 0 | 0 | 0 | 110.3 | I771 | S769-I771 PolarHBondContact O-N 3.49Å; S769-I771 VanDerWaalsContact O-N 3.12Å |
| 770 | P | 95.6 | Very high | 94.1 | Very high | 65 Ų | 65 | 47.4 Ų | 47.4 | 42% | 0.422 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 118.3 | 177 | -25.5 | 33.8 | 0 | 0 | 0 | 112.2 | M756 L757 | M756-P770 HydrophobicContact CE-CB 3.58Å; M756-P770 WeakPolarHBondContact CE-O 3.46Å; L757-P770 CarbonylContact O-C 3.4Å; L757-P770 WeakPolarHBondContact O-CA 3.24Å |
| 771 | I | 97.1 | Very high | 94 | Very high | 42 Ų | 42 | 51 Ų | 51 | 22% | 0.215 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 131.2 | 179.1 | -60.1 | 172.2 | 0 | 0 | 0 | 108.3 | M756 L757 L768 S769 W799 | M756-I771 CarbonylContact C-O 3.58Å; M756-I771 WeakPolarHBondContact CA-O 3.49Å; L757-I771 HydrophobicContact CB-CB 4.25Å; L757-I771 PolarHBondContact N-O 2.93Å; L757-I771 PolarHBondContact O-N 2.94Å; L768-I771 HydrophobicContact CD1-CD1 4.26Å; S769-I771 PolarHBondContact O-N 3.49Å; S769-I771 VanDerWaalsContact O-N 3.12Å; I771-W799 HydrophobicContact CG2-CZ2 4.3Å |
| 772 | L | 97.3 | Very high | 93.8 | Very high | 104 Ų | 104 | 51.2 Ų | 51.2 | 55% | 0.545 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 117 | 171.6 | 177.9 | 64.3 | 0 | 0 | 0 | 109.4 | R755 M756 | R755-L772 HydrophobicContact CB-CD1 4.11Å; M756-L772 HydrophobicContact CE-CB 4.42Å; M756-L772 HydrophobicContact SD-CB 4.45Å; M756-L772 HydrophobicContact SD-CD1 3.8Å |
| 773 | L | 96.3 | Very high | 94 | Very high | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -79.7 | 145.5 | 172 | -56.9 | 174.5 | 0 | 0 | 0 | 110.1 | R755 L757 S775 I777 A789 W799 | R755-L773 HydrophobicContact CB-CB 4.23Å; R755-L773 WeakPolarHBondContact CB-O 3.49Å; R755-L773 WeakPolarHBondContact CD-O 3.37Å; R755-L773 PolarHBondContact O-N 2.88Å; L757-L773 HydrophobicContact CB-CD1 4.29Å; L757-L773 HydrophobicContact CB-CD2 4.23Å; L757-L773 HydrophobicContact CB-CG 4.19Å; L757-L773 HydrophobicContact CD2-CD2 4.19Å; L773-S775 VanDerWaalsContact C-N 3.29Å; L773-S775 WeakPolarHBondContact CB-O 3.42Å; L773-S775 PolarHBondContact O-N 2.86Å; L773-I777 HydrophobicContact CD1-CB 4.31Å; L773-I777 HydrophobicContact CD1-CD1 3.88Å; L773-A789 HydrophobicContact CD2-CB 4.18Å; L773-W799 HydrophobicContact CD2-CH2 3.75Å |
| 774 | P | 91.6 | Very high | 94 | Very high | 57 Ų | 57 | 47 Ų | 47 | 37% | 0.37 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -64.4 | -35.2 | -179.7 | 25.1 | -34.7 | 0 | 0 | 0 | 112.2 | R755 T791 E810 | R755-P774 PolarHBondContact NH1-O 3.24Å; P774-T791 HydrophobicContact CG-CG2 4.46Å; P774-E810 WeakPolarHBondContact CG-OE1 3.45Å |
| 775 | S | 93.9 | Very high | 94.1 | Very high | 22 Ų | 22 | 47.4 Ų | 47.4 | 15% | 0.154 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -131.6 | 157.1 | -179.9 | 177.5 | 0 | 0 | 0 | 0 | 109.4 | L773 A793 | L773-S775 VanDerWaalsContact C-N 3.29Å; L773-S775 WeakPolarHBondContact CB-O 3.42Å; L773-S775 PolarHBondContact O-N 2.86Å; S775-A793 WeakPolarHBondContact OG-CB 3.45Å; S775-A793 PolarHBondContact OG-N 2.67Å |
| 776 | P | 94.2 | Very high | 94.2 | Very high | 48 Ų | 48 | 41.8 Ų | 41.8 | 31% | 0.312 | 24% | 0.241 | S | C | . | . | trans | -52.1 | 151.9 | 174.9 | -27.8 | 36.6 | 0 | 0 | 0 | 112.9 | I685 R755 T791 A792 | I685-P776 HydrophobicContact CD1-CB 3.78Å; I685-P776 HydrophobicContact CD1-CG 4.11Å; I685-P776 HydrophobicContact CG1-CB 4.1Å; I685-P776 HydrophobicContact CG2-CB 4.41Å; R755-P776 HydrophobicContact CG-CG 4.12Å; P776-T791 CarbonylContact O-C 3.59Å; P776-T791 WeakPolarHBondContact O-CA 3.47Å; P776-T791 WeakPolarHBondContact O-CB 3.34Å; P776-A792 PolarHBondContact O-N 3.5Å | ||
| 777 | I | 94.9 | Very high | 94.3 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.015 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 145.7 | 178.5 | -163.5 | 66.7 | 0 | 0 | 0 | 111.2 | P686 L739 T740 A751 L773 T779 L780 A789 | P686-I777 WeakPolarHBondContact CD-O 3.38Å; L739-I777 HydrophobicContact CB-CG2 4.36Å; L739-I777 HydrophobicContact CD1-CG2 4.4Å; T740-I777 HydrophobicContact CG2-CG1 3.95Å; T740-I777 HydrophobicContact CG2-CG2 3.88Å; A751-I777 HydrophobicContact CB-CB 3.69Å; A751-I777 HydrophobicContact CB-CD1 4.18Å; A751-I777 HydrophobicContact CB-CG1 3.63Å; A751-I777 HydrophobicContact CB-CG2 3.68Å; L773-I777 HydrophobicContact CD1-CB 4.31Å; L773-I777 HydrophobicContact CD1-CD1 3.88Å; I777-T779 WeakPolarHBondContact CD1-O 3.37Å; I777-L780 HydrophobicContact CD1-CD2 3.74Å; I777-L780 HydrophobicContact CD1-CG 3.98Å; I777-L780 HydrophobicContact CG1-CD2 4.41Å; I777-L780 HydrophobicContact CG1-CG 4.12Å; I777-A789 HydrophobicContact CD1-CB 3.76Å |
| 778 | S | 92.1 | Very high | 94.5 | Very high | 9 Ų | 9 | 36 Ų | 36 | 6% | 0.063 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | -58.2 | 162 | -177.2 | 0 | 0 | 0 | 0 | 110.4 | L683 P684 P686 L790 | L683-S778 WeakPolarHBondContact CB-OG 3.4Å; P684-S778 VanDerWaalsContact O-CA 3.28Å; P684-S778 WeakPolarHBondContact O-CA 3.43Å; P684-S778 VanDerWaalsContact O-CB 3.25Å; P684-S778 WeakPolarHBondContact O-CB 3.18Å; P684-S778 PolarHBondContact O-OG 3.5Å; P686-S778 WeakPolarHBondContact CD-O 3.19Å; P686-S778 VanDerWaalsContact CG-O 3.3Å; P686-S778 WeakPolarHBondContact CG-O 3.27Å; S778-L790 WeakPolarHBondContact CA-O 3.36Å; S778-L790 WeakPolarHBondContact CB-O 3.37Å; S778-L790 PolarHBondContact N-O 3.04Å |
| 779 | T | 91.7 | Very high | 94.6 | Very high | 44 Ų | 44 | 34.3 Ų | 34.3 | 27% | 0.27 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 151.9 | 175.2 | 63.5 | 0 | 0 | 0 | 0 | 112.5 | I777 H781 L790 | I777-T779 WeakPolarHBondContact CD1-O 3.37Å; T779-H781 WeakPolarHBondContact CB-NE2 3.35Å; T779-H781 PolarHBondContact OG1-NE2 2.71Å; T779-L790 PolarHBondContact N-O 3.23Å; T779-L790 VanDerWaalsContact N-O 3.13Å; T779-L790 PolarHBondContact O-N 3.09Å |
| 780 | L | 93.9 | Very high | 94.5 | Very high | 13 Ų | 13 | 29.7 Ų | 29.7 | 7% | 0.068 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 142.3 | 168.2 | -76.2 | 178.8 | 0 | 0 | 0 | 109.3 | T740 A742 A751 L757 I777 M788 A789 | T740-L780 HydrophobicContact CG2-CD1 4.27Å; T740-L780 HydrophobicContact CG2-CG 4.24Å; A742-L780 HydrophobicContact CB-CB 3.95Å; A751-L780 HydrophobicContact CB-CD1 3.74Å; A751-L780 HydrophobicContact CB-CG 4.18Å; L757-L780 HydrophobicContact CD1-CD1 4.09Å; L757-L780 HydrophobicContact CD1-CD2 3.88Å; I777-L780 HydrophobicContact CD1-CD2 3.74Å; I777-L780 HydrophobicContact CD1-CG 3.98Å; I777-L780 HydrophobicContact CG1-CD2 4.41Å; I777-L780 HydrophobicContact CG1-CG 4.12Å; L780-M788 WeakPolarHBondContact CA-O 3.46Å; L780-A789 HydrophobicContact CD2-CB 3.8Å |
| 781 | H | 93.8 | Very high | 94.4 | Very high | 76 Ų | 76 | 26.7 Ų | 26.7 | 35% | 0.352 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 141.7 | 169.9 | -55.5 | -107.5 | 0 | 0 | 0 | 108.1 | T779 M788 | T779-H781 WeakPolarHBondContact CB-NE2 3.35Å; T779-H781 PolarHBondContact OG1-NE2 2.71Å; H781-M788 HydrophobicContact CB-CE 3.8Å; H781-M788 WeakPolarHBondContact CD2-CE 3.44Å; H781-M788 PolarHBondContact N-O 2.92Å; H781-M788 PolarHBondContact O-N 2.83Å |
| 782 | C | 92.3 | Very high | 94.1 | Very high | 16 Ų | 16 | 25.1 Ų | 25.1 | 11% | 0.108 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 125.5 | -178.2 | -66.8 | 0 | 0 | 0 | 0 | 110.3 | V747 C749 Y786 | V747-C782 HydrophobicContact CG2-CB 4.42Å; C749-C782 WeakPolarHBondContact CB-SG 3.29Å; C749-C782 WeakPolarHBondContact SG-CB 3.41Å; C749-C782 CovalentContact SG-SG 2.04Å; C749-C782 PolarHBondContact SG-SG 2.85Å; C782-Y786 CarbonylContact C-O 3.56Å; C782-Y786 VanDerWaalsContact CA-O 3.23Å; C782-Y786 WeakPolarHBondContact CA-O 3.48Å |
| 783 | T | 93 | Very high | 93.6 | Very high | 39 Ų | 39 | 22.7 Ų | 22.7 | 24% | 0.239 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 115.2 | -177.3 | -56.4 | 0 | 0 | 0 | 0 | 108.7 | S785 Y786 L829 Q831 | T783-S785 PolarHBondContact O-N 3.36Å; T783-Y786 PolarHBondContact N-O 3.49Å; T783-Y786 WeakPolarHBondContact O-CB 3.37Å; T783-Y786 WeakPolarHBondContact O-CD2 3.45Å; T783-Y786 PolarHBondContact O-N 3.27Å; T783-L829 PolarHBondContact OG1-O 3.29Å; T783-Q831 HydrophobicContact CG2-CG 4.33Å |
| 784 | G | 91.3 | Very high | 93.3 | Very high | 20 Ų | 20 | 22.8 Ų | 22.8 | 21% | 0.206 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | -130.9 | -169.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | S744 D746 Y786 | S744-G784 WeakPolarHBondContact CB-O 3.41Å; S744-G784 PolarHBondContact OG-O 3.06Å; D746-G784 WeakPolarHBondContact OD2-CA 3.49Å; G784-Y786 VanDerWaalsContact C-N 3.3Å; G784-Y786 PolarHBondContact O-N 2.83Å |
| 785 | S | 94.3 | Very high | 93.3 | Very high | 19 Ų | 19 | 21.1 Ų | 21.1 | 13% | 0.133 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -1.3 | 173.1 | 68 | 0 | 0 | 0 | 0 | 115.3 | D746 T783 D800 V801 H802 | D746-S785 PolarHBondContact OD2-N 3.11Å; T783-S785 PolarHBondContact O-N 3.36Å; S785-D800 WeakPolarHBondContact CB-OD1 3.3Å; S785-D800 PolarHBondContact OG-OD1 3.44Å; S785-V801 WeakPolarHBondContact O-CG2 3.28Å; S785-V801 PolarHBondContact O-N 3.34Å; S785-H802 VanDerWaalsContact CB-CB 3.48Å |
| 786 | Y | 96.8 | Very high | 93.3 | Very high | 36 Ų | 36 | 20.1 Ų | 20.1 | 14% | 0.141 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 125.2 | -178.9 | -59.2 | -83.8 | 0 | 0 | 0 | 111.1 | C782 T783 G784 V798 W799 D800 V807 Q831 G833 | C782-Y786 CarbonylContact C-O 3.56Å; C782-Y786 VanDerWaalsContact CA-O 3.23Å; C782-Y786 WeakPolarHBondContact CA-O 3.48Å; T783-Y786 PolarHBondContact N-O 3.49Å; T783-Y786 WeakPolarHBondContact O-CB 3.37Å; T783-Y786 WeakPolarHBondContact O-CD2 3.45Å; T783-Y786 PolarHBondContact O-N 3.27Å; G784-Y786 VanDerWaalsContact C-N 3.3Å; G784-Y786 PolarHBondContact O-N 2.83Å; Y786-V798 HydrophobicContact CD1-CG1 4.34Å; Y786-W799 WeakPolarHBondContact CA-O 3.42Å; Y786-D800 HydrophobicContact CD1-CB 3.9Å; Y786-D800 HydrophobicContact CE1-CB 3.69Å; Y786-V807 HydrophobicContact CD1-CG2 4.12Å; Y786-V807 HydrophobicContact CE1-CG2 3.99Å; Y786-Q831 VanDerWaalsContact CE2-O 3.23Å; Y786-Q831 WeakPolarHBondContact CE2-O 3.32Å; Y786-G833 VanDerWaalsContact CD1-CA 3.41Å; Y786-G833 VanDerWaalsContact CG-CA 3.45Å |
| 787 | V | 97.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.006 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 122.2 | 174.7 | 176.1 | 0 | 0 | 0 | 0 | 108.3 | V747 C749 L757 V759 V798 W799 V801 | V747-V787 HydrophobicContact CG2-CG2 4.14Å; C749-V787 HydrophobicContact CB-CG1 4.06Å; C749-V787 HydrophobicContact CB-CG2 4.19Å; L757-V787 HydrophobicContact CD2-CG1 4.17Å; V759-V787 HydrophobicContact CG1-CG2 4.06Å; V759-V787 HydrophobicContact CG2-CG1 4.48Å; V759-V787 HydrophobicContact CG2-CG2 4.25Å; V787-V798 CarbonylContact O-C 3.54Å; V787-V798 WeakPolarHBondContact O-CA 3.47Å; V787-W799 HydrophobicContact CG1-CE3 4.37Å; V787-W799 PolarHBondContact N-O 2.78Å; V787-W799 PolarHBondContact O-N 2.76Å; V787-V801 HydrophobicContact CB-CG1 4.21Å; V787-V801 HydrophobicContact CG2-CG1 3.72Å; V787-V801 HydrophobicContact CG2-CG2 4.3Å |
| 788 | M | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 131.6 | 174.1 | -176.4 | -178.7 | 80.5 | 0 | 0 | 111 | L780 H781 L796 S797 V798 I827 L829 P835 | L780-M788 WeakPolarHBondContact CA-O 3.46Å; H781-M788 HydrophobicContact CB-CE 3.8Å; H781-M788 WeakPolarHBondContact CD2-CE 3.44Å; H781-M788 PolarHBondContact N-O 2.92Å; H781-M788 PolarHBondContact O-N 2.83Å; M788-L796 HydrophobicContact CG-CD2 4.26Å; M788-L796 HydrophobicContact CG-CG 4.19Å; M788-L796 HydrophobicContact SD-CD1 3.87Å; M788-L796 HydrophobicContact SD-CD2 4.25Å; M788-L796 HydrophobicContact SD-CG 4.18Å; M788-S797 CarbonylContact C-O 3.56Å; M788-S797 VanDerWaalsContact CA-O 3.26Å; M788-S797 WeakPolarHBondContact CA-O 3.48Å; M788-V798 HydrophobicContact CB-CG2 4.03Å; M788-V798 HydrophobicContact CG-CG2 3.8Å; M788-V798 HydrophobicContact SD-CG2 4.3Å; M788-I827 HydrophobicContact CE-CG2 3.44Å; M788-I827 VanDerWaalsContact CE-CG2 3.44Å; M788-I827 HydrophobicContact SD-CG2 4.41Å; M788-L829 HydrophobicContact CB-CD1 4.22Å; M788-L829 HydrophobicContact CB-CD2 3.82Å; M788-L829 HydrophobicContact SD-CD1 4.22Å; M788-P835 HydrophobicContact SD-CB 3.73Å |
| 789 | A | 96.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.008 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 130.7 | 172 | 0 | 0 | 0 | 0 | 0 | 110.5 | L757 L773 I777 L780 L796 S797 W799 | L757-A789 HydrophobicContact CD2-CB 4.34Å; L773-A789 HydrophobicContact CD2-CB 4.18Å; I777-A789 HydrophobicContact CD1-CB 3.76Å; L780-A789 HydrophobicContact CD2-CB 3.8Å; A789-L796 WeakPolarHBondContact O-CA 3.36Å; A789-S797 PolarHBondContact N-O 2.99Å; A789-S797 PolarHBondContact O-N 3.13Å; A789-W799 HydrophobicContact CB-CH2 4.09Å; A789-W799 HydrophobicContact CB-CZ3 3.74Å |
| 790 | L | 93.9 | Very high | 94.2 | Very high | 5 Ų | 5 | 17.6 Ų | 17.6 | 3% | 0.026 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 121.1 | 170.7 | 175.7 | 53 | 0 | 0 | 0 | 108.6 | L683 S778 T779 T795 L796 L813 I827 | L683-L790 HydrophobicContact CD1-CD1 3.61Å; L683-L790 HydrophobicContact CD1-CD2 3.64Å; L683-L790 HydrophobicContact CD1-CG 3.54Å; S778-L790 WeakPolarHBondContact CA-O 3.36Å; S778-L790 WeakPolarHBondContact CB-O 3.37Å; S778-L790 PolarHBondContact N-O 3.04Å; T779-L790 PolarHBondContact N-O 3.23Å; T779-L790 VanDerWaalsContact N-O 3.13Å; T779-L790 PolarHBondContact O-N 3.09Å; L790-T795 WeakPolarHBondContact CD1-O 3.34Å; L790-L796 HydrophobicContact CD1-CB 4.29Å; L790-L813 HydrophobicContact CD1-CD1 3.52Å; L790-L813 HydrophobicContact CD1-CG 4.14Å; L790-L813 HydrophobicContact CD2-CD1 3.96Å; L790-L813 HydrophobicContact CG-CD1 4.41Å; L790-I827 HydrophobicContact CD2-CD1 3.57Å |
| 791 | T | 94.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.012 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 161.7 | -174.5 | 79.7 | 0 | 0 | 0 | 0 | 112.9 | P774 P776 A793 A794 T795 | P774-T791 HydrophobicContact CG-CG2 4.46Å; P776-T791 CarbonylContact O-C 3.59Å; P776-T791 WeakPolarHBondContact O-CA 3.47Å; P776-T791 WeakPolarHBondContact O-CB 3.34Å; T791-A793 PolarHBondContact O-N 2.9Å; T791-A793 VanDerWaalsContact O-N 3.1Å; T791-A793 PolarHBondContact OG1-N 2.81Å; T791-A794 PolarHBondContact O-N 3.07Å; T791-T795 PolarHBondContact N-O 2.83Å; T791-T795 PolarHBondContact OG1-N 2.9Å; T791-T795 PolarHBondContact OG1-O 2.69Å; T791-T795 PolarHBondContact OG1-OG1 2.81Å |
| 792 | A | 89.6 | Confident | 94.2 | Very high | 8 Ų | 8 | 21 Ų | 21 | 7% | 0.066 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -11.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K682 L683 I685 P776 A794 | K682-A792 WeakPolarHBondContact CA-O 3.34Å; L683-A792 PolarHBondContact N-O 3.18Å; L683-A792 WeakPolarHBondContact O-CB 3.42Å; I685-A792 HydrophobicContact CD1-CB 3.88Å; I685-A792 HydrophobicContact CG1-CB 3.54Å; P776-A792 PolarHBondContact O-N 3.5Å; A792-A794 VanDerWaalsContact C-N 3.29Å |
| 793 | A | 88.3 | Confident | 94.3 | Very high | 53 Ų | 53 | 29 Ų | 29 | 44% | 0.438 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 14 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S775 T791 T795 | S775-A793 WeakPolarHBondContact OG-CB 3.45Å; S775-A793 PolarHBondContact OG-N 2.67Å; T791-A793 PolarHBondContact O-N 2.9Å; T791-A793 VanDerWaalsContact O-N 3.1Å; T791-A793 PolarHBondContact OG1-N 2.81Å; A793-T795 PolarHBondContact O-N 2.8Å |
| 794 | A | 88.4 | Confident | 94.3 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 5% | 0.05 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 55.9 | 34.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L683 T791 A792 L813 | L683-A794 HydrophobicContact CD1-CB 4.17Å; L683-A794 HydrophobicContact CG-CB 4.24Å; T791-A794 PolarHBondContact O-N 3.07Å; A792-A794 VanDerWaalsContact C-N 3.29Å; A794-L813 HydrophobicContact CB-CB 4.34Å; A794-L813 WeakPolarHBondContact O-CB 3.35Å; A794-L813 WeakPolarHBondContact O-CG 3.26Å; A794-L813 PolarHBondContact O-N 3.49Å |
| 795 | T | 92.3 | Very high | 94.5 | Very high | 23 Ų | 23 | 36 Ų | 36 | 14% | 0.141 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 136 | 170.1 | 64.1 | 0 | 0 | 0 | 0 | 111.2 | L790 T791 A793 E811 | L790-T795 WeakPolarHBondContact CD1-O 3.34Å; T791-T795 PolarHBondContact N-O 2.83Å; T791-T795 PolarHBondContact OG1-N 2.9Å; T791-T795 PolarHBondContact OG1-O 2.69Å; T791-T795 PolarHBondContact OG1-OG1 2.81Å; A793-T795 PolarHBondContact O-N 2.8Å; T795-E811 CarbonylContact C-O 3.53Å; T795-E811 VanDerWaalsContact CA-O 3.28Å; T795-E811 WeakPolarHBondContact CA-O 3.49Å |
| 796 | L | 94.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 139 | -177.3 | -172.8 | 149 | 0 | 0 | 0 | 109.9 | M788 A789 L790 V798 V808 E810 E811 L813 P835 M837 W854 | M788-L796 HydrophobicContact CG-CD2 4.26Å; M788-L796 HydrophobicContact CG-CG 4.19Å; M788-L796 HydrophobicContact SD-CD1 3.87Å; M788-L796 HydrophobicContact SD-CD2 4.25Å; M788-L796 HydrophobicContact SD-CG 4.18Å; A789-L796 WeakPolarHBondContact O-CA 3.36Å; L790-L796 HydrophobicContact CD1-CB 4.29Å; L796-V798 HydrophobicContact CD2-CG2 3.91Å; L796-V808 HydrophobicContact CD2-CB 4.34Å; L796-V808 HydrophobicContact CD2-CG1 3.93Å; L796-E810 CarbonylContact O-C 3.52Å; L796-E810 WeakPolarHBondContact O-CA 3.29Å; L796-E810 PolarHBondContact O-N 3.44Å; L796-E811 PolarHBondContact N-O 2.96Å; L796-E811 PolarHBondContact O-N 3.02Å; L796-L813 HydrophobicContact CB-CD2 4.21Å; L796-L813 HydrophobicContact CD1-CD2 4.19Å; L796-P835 HydrophobicContact CD1-CB 4.16Å; L796-P835 HydrophobicContact CD2-CB 3.92Å; L796-P835 HydrophobicContact CD2-CG 3.82Å; L796-M837 HydrophobicContact CD1-SD 4.01Å; L796-W854 HydrophobicContact CD1-CH2 4.33Å |
| 797 | S | 97.1 | Very high | 94.5 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 3% | 0.028 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 143.9 | 172.2 | -62.6 | 0 | 0 | 0 | 0 | 110.6 | M788 A789 V808 E810 | M788-S797 CarbonylContact C-O 3.56Å; M788-S797 VanDerWaalsContact CA-O 3.26Å; M788-S797 WeakPolarHBondContact CA-O 3.48Å; A789-S797 PolarHBondContact N-O 2.99Å; A789-S797 PolarHBondContact O-N 3.13Å; S797-V808 CarbonylContact C-O 3.58Å; S797-V808 VanDerWaalsContact CA-O 3.26Å; S797-V808 WeakPolarHBondContact CA-O 3.47Å; S797-E810 WeakPolarHBondContact OG-CA 3.4Å; S797-E810 PolarHBondContact OG-N 2.88Å |
| 798 | V | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 134.7 | 174.8 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | Y786 V787 M788 L796 V807 V808 L829 P835 | Y786-V798 HydrophobicContact CD1-CG1 4.34Å; V787-V798 CarbonylContact O-C 3.54Å; V787-V798 WeakPolarHBondContact O-CA 3.47Å; M788-V798 HydrophobicContact CB-CG2 4.03Å; M788-V798 HydrophobicContact CG-CG2 3.8Å; M788-V798 HydrophobicContact SD-CG2 4.3Å; L796-V798 HydrophobicContact CD2-CG2 3.91Å; V798-V807 HydrophobicContact CB-CB 4.13Å; V798-V807 HydrophobicContact CG1-CB 4.06Å; V798-V807 HydrophobicContact CG1-CG1 4.44Å; V798-V807 PolarHBondContact O-N 2.77Å; V798-V808 HydrophobicContact CB-CB 3.98Å; V798-V808 HydrophobicContact CB-CG2 4.02Å; V798-V808 HydrophobicContact CG2-CB 3.95Å; V798-V808 HydrophobicContact CG2-CG2 3.89Å; V798-V808 PolarHBondContact N-O 2.92Å; V798-V808 PolarHBondContact O-N 3.29Å; V798-V808 VanDerWaalsContact O-N 3.07Å; V798-L829 HydrophobicContact CG1-CD1 4.08Å; V798-L829 HydrophobicContact CG2-CD1 4.11Å; V798-P835 HydrophobicContact CG2-CB 4.28Å; V798-P835 HydrophobicContact CG2-CG 4.16Å |
| 799 | W | 97.9 | Very high | 94.3 | Very high | 41 Ų | 41 | 45.2 Ų | 45.2 | 16% | 0.155 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 136.3 | 173.5 | -55.3 | -89.3 | 0 | 0 | 0 | 110.3 | L757 I771 L773 Y786 V787 A789 V801 V805 | L757-W799 HydrophobicContact CD2-CE3 4.17Å; L757-W799 HydrophobicContact CD2-CH2 4.06Å; L757-W799 HydrophobicContact CD2-CZ3 3.56Å; I771-W799 HydrophobicContact CG2-CZ2 4.3Å; L773-W799 HydrophobicContact CD2-CH2 3.75Å; Y786-W799 WeakPolarHBondContact CA-O 3.42Å; V787-W799 HydrophobicContact CG1-CE3 4.37Å; V787-W799 PolarHBondContact N-O 2.78Å; V787-W799 PolarHBondContact O-N 2.76Å; A789-W799 HydrophobicContact CB-CH2 4.09Å; A789-W799 HydrophobicContact CB-CZ3 3.74Å; W799-V801 HydrophobicContact CB-CG1 4.26Å; W799-V805 WeakPolarHBondContact CA-O 3.36Å |
| 800 | D | 96.8 | Very high | 94 | Very high | 6 Ų | 6 | 49.4 Ų | 49.4 | 3% | 0.032 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 105.9 | 160.8 | 178.3 | -1.5 | 0 | 0 | 0 | 107.5 | S785 Y786 H802 R803 Q804 V805 V807 | S785-D800 WeakPolarHBondContact CB-OD1 3.3Å; S785-D800 PolarHBondContact OG-OD1 3.44Å; Y786-D800 HydrophobicContact CD1-CB 3.9Å; Y786-D800 HydrophobicContact CE1-CB 3.69Å; D800-H802 VanDerWaalsContact C-N 3.3Å; D800-H802 PolarHBondContact O-N 3.08Å; D800-H802 WeakPolarHBondContact OD1-CB 3.25Å; D800-H802 PolarHBondContact OD1-N 2.67Å; D800-R803 HydrophobicContact CB-CB 4.41Å; D800-R803 PolarHBondContact OD1-N 2.58Å; D800-R803 VanDerWaalsContact OD2-CB 3.26Å; D800-R803 WeakPolarHBondContact OD2-CB 3.05Å; D800-R803 WeakPolarHBondContact OD2-CD 3.28Å; D800-R803 WeakPolarHBondContact OD2-CG 3.32Å; D800-R803 IonicContact OD2-NE 3.64Å; D800-Q804 VanDerWaalsContact O-CA 3.26Å; D800-Q804 WeakPolarHBondContact O-CA 3.34Å; D800-Q804 PolarHBondContact O-N 2.95Å; D800-V805 HydrophobicContact CB-CG2 4.12Å; D800-V805 PolarHBondContact N-O 2.71Å; D800-V805 PolarHBondContact O-N 3.33Å; D800-V805 VanDerWaalsContact O-N 3.1Å; D800-V807 HydrophobicContact CB-CG2 4.07Å |
| 801 | V | 95.7 | Very high | 94 | Very high | 6 Ų | 6 | 51.8 Ų | 51.8 | 4% | 0.036 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -7.4 | -177.2 | -51 | 0 | 0 | 0 | 0 | 113.3 | V747 V759 L767 L768 S785 V787 W799 | V747-V801 HydrophobicContact CG1-CG2 3.7Å; V759-V801 HydrophobicContact CG1-CG1 4.33Å; V759-V801 HydrophobicContact CG1-CG2 4.01Å; V759-V801 HydrophobicContact CG2-CG1 4.43Å; L767-V801 HydrophobicContact CD1-CG2 4.14Å; L768-V801 HydrophobicContact CD1-CB 3.96Å; L768-V801 HydrophobicContact CD1-CG1 3.76Å; S785-V801 WeakPolarHBondContact O-CG2 3.28Å; S785-V801 PolarHBondContact O-N 3.34Å; V787-V801 HydrophobicContact CB-CG1 4.21Å; V787-V801 HydrophobicContact CG2-CG1 3.72Å; V787-V801 HydrophobicContact CG2-CG2 4.3Å; W799-V801 HydrophobicContact CB-CG1 4.26Å |
| 802 | H | 93.9 | Very high | 93.8 | Very high | 154 Ų | 154 | 54.1 Ų | 54.1 | 71% | 0.713 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -48.5 | 170.1 | 178.2 | 95.1 | 0 | 0 | 0 | 110.2 | S785 D800 Q804 | S785-H802 VanDerWaalsContact CB-CB 3.48Å; D800-H802 VanDerWaalsContact C-N 3.3Å; D800-H802 PolarHBondContact O-N 3.08Å; D800-H802 WeakPolarHBondContact OD1-CB 3.25Å; D800-H802 PolarHBondContact OD1-N 2.67Å; H802-Q804 VanDerWaalsContact C-N 3.33Å |
| 803 | R | 93.1 | Very high | 93.7 | Very high | 184 Ų | 184 | 53.7 Ų | 53.7 | 69% | 0.694 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -12.4 | 173.2 | -66.5 | 179.9 | -175.3 | -167.8 | 0 | 114.2 | D800 V805 | D800-R803 HydrophobicContact CB-CB 4.41Å; D800-R803 PolarHBondContact OD1-N 2.58Å; D800-R803 VanDerWaalsContact OD2-CB 3.26Å; D800-R803 WeakPolarHBondContact OD2-CB 3.05Å; D800-R803 WeakPolarHBondContact OD2-CD 3.28Å; D800-R803 WeakPolarHBondContact OD2-CG 3.32Å; D800-R803 IonicContact OD2-NE 3.64Å; R803-V805 VanDerWaalsContact C-N 3.34Å; R803-V805 HydrophobicContact CB-CG2 4Å; R803-V805 PolarHBondContact O-N 2.79Å |
| 804 | Q | 94.2 | Very high | 93.5 | Very high | 136 Ų | 136 | 56.7 Ų | 56.7 | 64% | 0.636 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 37.7 | -176.3 | -51.2 | -168.1 | -6.5 | 0 | 0 | 113.9 | L768 D800 H802 | L768-Q804 HydrophobicContact CD2-CG 4.1Å; D800-Q804 VanDerWaalsContact O-CA 3.26Å; D800-Q804 WeakPolarHBondContact O-CA 3.34Å; D800-Q804 PolarHBondContact O-N 2.95Å; H802-Q804 VanDerWaalsContact C-N 3.33Å |
| 805 | V | 94.3 | Very high | 93.2 | Very high | 72 Ų | 72 | 60.2 Ų | 60.2 | 44% | 0.436 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 150.6 | 178.5 | -61.6 | 0 | 0 | 0 | 0 | 111.8 | W799 D800 R803 | W799-V805 WeakPolarHBondContact CA-O 3.36Å; D800-V805 HydrophobicContact CB-CG2 4.12Å; D800-V805 PolarHBondContact N-O 2.71Å; D800-V805 PolarHBondContact O-N 3.33Å; D800-V805 VanDerWaalsContact O-N 3.1Å; R803-V805 VanDerWaalsContact C-N 3.34Å; R803-V805 HydrophobicContact CB-CG2 4Å; R803-V805 PolarHBondContact O-N 2.79Å |
| 806 | V | 95.6 | Very high | 92.8 | Very high | 76 Ų | 76 | 59.9 Ų | 59.9 | 46% | 0.461 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 135.9 | 166.3 | 64.9 | 0 | 0 | 0 | 0 | 109.4 | V808 K809 | V806-V808 VanDerWaalsContact CG2-O 3.28Å; V806-V808 WeakPolarHBondContact CG2-O 3.37Å; V806-K809 HydrophobicContact CG2-CB 3.82Å; V806-K809 HydrophobicContact CG2-CG 4.27Å |
| 807 | V | 95.3 | Very high | 92 | Very high | 29 Ų | 29 | 60.5 Ų | 60.5 | 18% | 0.176 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | -39.3 | 179.3 | 179.4 | 0 | 0 | 0 | 0 | 110 | Y786 V798 D800 P849 | Y786-V807 HydrophobicContact CD1-CG2 4.12Å; Y786-V807 HydrophobicContact CE1-CG2 3.99Å; V798-V807 HydrophobicContact CB-CB 4.13Å; V798-V807 HydrophobicContact CG1-CB 4.06Å; V798-V807 HydrophobicContact CG1-CG1 4.44Å; V798-V807 PolarHBondContact O-N 2.77Å; D800-V807 HydrophobicContact CB-CG2 4.07Å; V807-P849 HydrophobicContact CG1-CB 4.08Å; V807-P849 HydrophobicContact CG1-CG 3.52Å; V807-P849 WeakPolarHBondContact O-CB 3.44Å |
| 808 | V | 96.3 | Very high | 90.7 | Very high | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 128.2 | 172.4 | -175.7 | 0 | 0 | 0 | 0 | 108 | L796 S797 V798 V806 E811 P835 F847 | L796-V808 HydrophobicContact CD2-CB 4.34Å; L796-V808 HydrophobicContact CD2-CG1 3.93Å; S797-V808 CarbonylContact C-O 3.58Å; S797-V808 VanDerWaalsContact CA-O 3.26Å; S797-V808 WeakPolarHBondContact CA-O 3.47Å; V798-V808 HydrophobicContact CB-CB 3.98Å; V798-V808 HydrophobicContact CB-CG2 4.02Å; V798-V808 HydrophobicContact CG2-CB 3.95Å; V798-V808 HydrophobicContact CG2-CG2 3.89Å; V798-V808 PolarHBondContact N-O 2.92Å; V798-V808 PolarHBondContact O-N 3.29Å; V798-V808 VanDerWaalsContact O-N 3.07Å; V806-V808 VanDerWaalsContact CG2-O 3.28Å; V806-V808 WeakPolarHBondContact CG2-O 3.37Å; V808-E811 HydrophobicContact CG1-CB 3.91Å; V808-E811 HydrophobicContact CG1-CG 3.53Å; V808-P835 HydrophobicContact CG2-CG 4.03Å; V808-F847 HydrophobicContact CB-CD1 4.25Å; V808-F847 HydrophobicContact CB-CE1 4.39Å; V808-F847 HydrophobicContact CG1-CD1 3.8Å; V808-F847 HydrophobicContact CG1-CE1 3.89Å; V808-F847 HydrophobicContact CG1-CG 4.16Å; V808-F847 HydrophobicContact CG1-CZ 4.34Å; V808-F847 HydrophobicContact CG2-CD1 3.52Å; V808-F847 HydrophobicContact CG2-CE1 4Å; V808-F847 HydrophobicContact CG2-CG 4.32Å |
| 809 | K | 94.6 | Very high | 88.9 | Confident | 142 Ų | 142 | 67.4 Ų | 67.4 | 62% | 0.617 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116 | 97.9 | -168.6 | -171.2 | -158.7 | 170.6 | -165.4 | 0 | 112 | V806 E811 | V806-K809 HydrophobicContact CG2-CB 3.82Å; V806-K809 HydrophobicContact CG2-CG 4.27Å; K809-E811 PolarHBondContact O-N 3.04Å; K809-E811 VanDerWaalsContact O-N 3.14Å |
| 810 | E | 91 | Very high | 86.8 | Confident | 89 Ų | 89 | 68.4 Ų | 68.4 | 42% | 0.416 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 58.3 | 26.5 | 167.6 | -55.5 | 178.9 | 118.8 | 0 | 0 | 114.9 | P774 L796 S797 | P774-E810 WeakPolarHBondContact CG-OE1 3.45Å; L796-E810 CarbonylContact O-C 3.52Å; L796-E810 WeakPolarHBondContact O-CA 3.29Å; L796-E810 PolarHBondContact O-N 3.44Å; S797-E810 WeakPolarHBondContact OG-CA 3.4Å; S797-E810 PolarHBondContact OG-N 2.88Å |
| 811 | E | 93.3 | Very high | 85.1 | Confident | 55 Ų | 55 | 76.2 Ų | 76.2 | 26% | 0.257 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 132.8 | -174.7 | -76.8 | -63.1 | 157.8 | 0 | 0 | 113 | T795 L796 V808 K809 F847 | T795-E811 CarbonylContact C-O 3.53Å; T795-E811 VanDerWaalsContact CA-O 3.28Å; T795-E811 WeakPolarHBondContact CA-O 3.49Å; L796-E811 PolarHBondContact N-O 2.96Å; L796-E811 PolarHBondContact O-N 3.02Å; V808-E811 HydrophobicContact CG1-CB 3.91Å; V808-E811 HydrophobicContact CG1-CG 3.53Å; K809-E811 PolarHBondContact O-N 3.04Å; K809-E811 VanDerWaalsContact O-N 3.14Å; E811-F847 HydrophobicContact CB-CE2 4.44Å; E811-F847 VanDerWaalsContact CD-CE2 3.49Å; E811-F847 HydrophobicContact CG-CD2 4.15Å; E811-F847 HydrophobicContact CG-CE1 4.4Å; E811-F847 HydrophobicContact CG-CE2 3.51Å; E811-F847 HydrophobicContact CG-CZ 3.64Å |
| 812 | S | 90.6 | Very high | 83.9 | Confident | 50 Ų | 50 | 78.1 Ų | 78.1 | 35% | 0.35 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 122.4 | -177.3 | -171.6 | 0 | 0 | 0 | 0 | 112.2 | H814 S815 | S812-H814 PolarHBondContact O-N 3.43Å; S812-H814 WeakPolarHBondContact OG-CB 3.42Å; S812-H814 PolarHBondContact OG-N 3.02Å; S812-S815 PolarHBondContact O-N 3.17Å; S812-S815 PolarHBondContact O-OG 2.73Å |
| 813 | L | 86.3 | Confident | 83 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -11.5 | 170.8 | -58.2 | -173.7 | 0 | 0 | 0 | 113 | L683 L790 A794 L796 S815 I816 L817 M837 W854 | L683-L813 HydrophobicContact CD1-CD1 4.39Å; L790-L813 HydrophobicContact CD1-CD1 3.52Å; L790-L813 HydrophobicContact CD1-CG 4.14Å; L790-L813 HydrophobicContact CD2-CD1 3.96Å; L790-L813 HydrophobicContact CG-CD1 4.41Å; A794-L813 HydrophobicContact CB-CB 4.34Å; A794-L813 WeakPolarHBondContact O-CB 3.35Å; A794-L813 WeakPolarHBondContact O-CG 3.26Å; A794-L813 PolarHBondContact O-N 3.49Å; L796-L813 HydrophobicContact CB-CD2 4.21Å; L796-L813 HydrophobicContact CD1-CD2 4.19Å; L813-S815 PolarHBondContact O-N 2.98Å; L813-S815 VanDerWaalsContact O-N 3.17Å; L813-I816 HydrophobicContact CB-CG1 4.44Å; L813-I816 HydrophobicContact CD2-CD1 4.15Å; L813-I816 WeakPolarHBondContact O-CG1 3.43Å; L813-I816 PolarHBondContact O-N 3.39Å; L813-L817 HydrophobicContact CB-CD1 3.99Å; L813-L817 HydrophobicContact CB-CG 4.45Å; L813-L817 WeakPolarHBondContact O-CB 3.47Å; L813-L817 WeakPolarHBondContact O-CG 3.22Å; L813-L817 PolarHBondContact O-N 2.98Å; L813-M837 HydrophobicContact CD1-CE 3.55Å; L813-M837 HydrophobicContact CD2-CE 3.94Å; L813-M837 HydrophobicContact CD2-CG 4.29Å; L813-M837 HydrophobicContact CD2-SD 4.29Å; L813-M837 HydrophobicContact CG-CE 4.39Å; L813-W854 HydrophobicContact CD2-CH2 3.92Å; L813-W854 HydrophobicContact CD2-CZ2 3.63Å |
| 814 | H | 84.6 | Confident | 82.3 | Confident | 115 Ų | 115 | 68.6 Ų | 68.6 | 53% | 0.532 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -58.2 | -30 | 177 | -169.8 | 52.3 | 0 | 0 | 0 | 111.9 | S812 I816 L817 A818 | S812-H814 PolarHBondContact O-N 3.43Å; S812-H814 WeakPolarHBondContact OG-CB 3.42Å; S812-H814 PolarHBondContact OG-N 3.02Å; H814-I816 VanDerWaalsContact C-N 3.29Å; H814-I816 PolarHBondContact O-N 3.47Å; H814-L817 PolarHBondContact O-N 3.36Å; H814-A818 WeakPolarHBondContact O-CB 3.39Å; H814-A818 PolarHBondContact O-N 3.21Å |
| 815 | S | 82 | Confident | 81.6 | Confident | 81 Ų | 81 | 65.8 Ų | 65.8 | 57% | 0.566 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -59.8 | -32 | 174 | 57.9 | 0 | 0 | 0 | 0 | 114.5 | S812 L813 | S812-S815 PolarHBondContact O-N 3.17Å; S812-S815 PolarHBondContact O-OG 2.73Å; L813-S815 PolarHBondContact O-N 2.98Å; L813-S815 VanDerWaalsContact O-N 3.17Å |
| 816 | I | 83.8 | Confident | 81.1 | Confident | 15 Ų | 15 | 66.8 Ų | 66.8 | 8% | 0.077 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -105.6 | -3.8 | 179.6 | 66.8 | 170.4 | 0 | 0 | 0 | 113.5 | L813 H814 M837 L839 Y845 W854 | L813-I816 HydrophobicContact CB-CG1 4.44Å; L813-I816 HydrophobicContact CD2-CD1 4.15Å; L813-I816 WeakPolarHBondContact O-CG1 3.43Å; L813-I816 PolarHBondContact O-N 3.39Å; H814-I816 VanDerWaalsContact C-N 3.29Å; H814-I816 PolarHBondContact O-N 3.47Å; I816-M837 HydrophobicContact CD1-CB 3.61Å; I816-M837 HydrophobicContact CD1-CG 3.77Å; I816-L839 VanDerWaalsContact O-CD1 3.31Å; I816-L839 WeakPolarHBondContact O-CD1 3.44Å; I816-Y845 HydrophobicContact CB-CD2 4.34Å; I816-Y845 HydrophobicContact CB-CG 4.46Å; I816-Y845 HydrophobicContact CG2-CD1 4.2Å; I816-Y845 HydrophobicContact CG2-CD2 4.41Å; I816-Y845 HydrophobicContact CG2-CG 4.04Å; I816-W854 HydrophobicContact CD1-CD2 4.45Å; I816-W854 HydrophobicContact CD1-CE3 4.28Å; I816-W854 HydrophobicContact CD1-CH2 4.41Å; I816-W854 HydrophobicContact CD1-CZ3 4.26Å; I816-W854 HydrophobicContact CG2-CB 3.9Å; I816-W854 HydrophobicContact CG2-CD2 3.98Å; I816-W854 HydrophobicContact CG2-CE3 4.43Å; I816-W854 HydrophobicContact CG2-CG 3.72Å |
| 817 | L | 78.9 | Confident | 80.7 | Confident | 14 Ų | 14 | 64.5 Ų | 64.5 | 7% | 0.073 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -117.7 | 3.5 | -179.9 | -61.5 | 178.6 | 0 | 0 | 0 | 113.5 | L681 L813 H814 V824 L839 | L681-L817 HydrophobicContact CD1-CB 3.95Å; L681-L817 HydrophobicContact CD1-CD1 4.41Å; L813-L817 HydrophobicContact CB-CD1 3.99Å; L813-L817 HydrophobicContact CB-CG 4.45Å; L813-L817 WeakPolarHBondContact O-CB 3.47Å; L813-L817 WeakPolarHBondContact O-CG 3.22Å; L813-L817 PolarHBondContact O-N 2.98Å; H814-L817 PolarHBondContact O-N 3.36Å; L817-V824 HydrophobicContact CD1-CG2 4.33Å; L817-V824 HydrophobicContact CD2-CG2 4.05Å; L817-L839 HydrophobicContact CD2-CD2 3.74Å |
| 818 | A | 69.1 | Low | 80.4 | Confident | 63 Ų | 63 | 65.2 Ų | 65.2 | 52% | 0.521 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 128.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | H814 | H814-A818 WeakPolarHBondContact O-CB 3.39Å; H814-A818 PolarHBondContact O-N 3.21Å |
| 819 | G | 60.3 | Low | 80.3 | Confident | 86 Ų | 86 | 65.5 Ų | 65.5 | 89% | 0.887 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 115.2 | -4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 820 | S | 52.5 | Low | 80.1 | Confident | 61 Ų | 61 | 59.2 Ų | 59.2 | 43% | 0.427 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -160.3 | 163.8 | -175.4 | 53.9 | 0 | 0 | 0 | 0 | 112.4 | M822 | S820-M822 PolarHBondContact O-N 2.91Å; S820-M822 VanDerWaalsContact OG-CG 3.26Å; S820-M822 WeakPolarHBondContact OG-CG 3.39Å; S820-M822 PolarHBondContact OG-SD 2.95Å |
| 821 | D | 62.1 | Low | 80 | Confident | 171 Ų | 171 | 62.8 Ų | 62.8 | 91% | 0.914 | 38% | 0.376 | S | S | * | . | trans | -75.3 | 34.9 | 173.5 | -58.4 | -51.7 | 0 | 0 | 0 | 112.9 | ||||
| 822 | M | 69.4 | Low | 79.8 | Confident | 45 Ų | 45 | 64 Ų | 64 | 22% | 0.222 | 38% | 0.381 | C | S | . | . | trans | -78.2 | 127 | -175.8 | -81.3 | 166.5 | 45 | 0 | 0 | 111.6 | S820 L839 S840 D841 | S820-M822 PolarHBondContact O-N 2.91Å; S820-M822 VanDerWaalsContact OG-CG 3.26Å; S820-M822 WeakPolarHBondContact OG-CG 3.39Å; S820-M822 PolarHBondContact OG-SD 2.95Å; M822-L839 HydrophobicContact CE-CB 3.95Å; M822-L839 HydrophobicContact CE-CD1 3.46Å; M822-L839 VanDerWaalsContact CE-CD1 3.46Å; M822-L839 HydrophobicContact CE-CG 4.35Å; M822-S840 WeakPolarHBondContact CA-OG 3.47Å; M822-D841 HydrophobicContact CE-CB 4.02Å; M822-D841 WeakPolarHBondContact CE-OD1 3.3Å; M822-D841 WeakPolarHBondContact CE-OD2 3.38Å; M822-D841 HydrophobicContact CG-CB 4.23Å; M822-D841 HydrophobicContact SD-CB 3.79Å | ||
| 823 | T | 75.4 | Confident | 79.9 | Confident | 92 Ų | 92 | 61.6 Ų | 61.6 | 56% | 0.564 | 36% | 0.364 | S | S | * | . | trans | -99.8 | 152.2 | 177.5 | 56.1 | 0 | 0 | 0 | 0 | 111 | S825 L839 S840 | T823-S825 PolarHBondContact O-N 3.49Å; T823-L839 CarbonylContact O-C 3.46Å; T823-L839 WeakPolarHBondContact O-CA 3.38Å; T823-S840 PolarHBondContact N-OG 3.05Å; T823-S840 WeakPolarHBondContact O-CB 3.35Å; T823-S840 PolarHBondContact O-N 2.84Å; T823-S840 WeakPolarHBondContact OG1-CB 3.41Å | ||
| 824 | V | 79.5 | Confident | 80.3 | Confident | 47 Ų | 47 | 61.6 Ų | 61.6 | 29% | 0.285 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 115.4 | 170.8 | 179.2 | 0 | 0 | 0 | 0 | 108 | L817 I827 M837 N838 L839 | L817-V824 HydrophobicContact CD1-CG2 4.33Å; L817-V824 HydrophobicContact CD2-CG2 4.05Å; V824-I827 HydrophobicContact CG1-CD1 4.07Å; V824-I827 HydrophobicContact CG1-CG1 3.52Å; V824-M837 HydrophobicContact CB-CE 4.28Å; V824-M837 HydrophobicContact CG1-CE 3.62Å; V824-M837 HydrophobicContact CG2-CE 3.61Å; V824-N838 CarbonylContact C-O 3.49Å; V824-L839 HydrophobicContact CG2-CD2 4.02Å |
| 825 | S | 79.9 | Confident | 80.8 | Confident | 76 Ų | 76 | 56.1 Ų | 56.1 | 53% | 0.531 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -32.5 | -176.7 | 58.3 | 0 | 0 | 0 | 0 | 112.7 | T823 N838 L839 | T823-S825 PolarHBondContact O-N 3.49Å; S825-N838 PolarHBondContact N-O 2.96Å; S825-N838 VanDerWaalsContact OG-C 3.3Å; S825-N838 PolarHBondContact OG-O 3.39Å; S825-L839 PolarHBondContact OG-O 3.02Å |
| 826 | Q | 81.9 | Confident | 81.4 | Confident | 93 Ų | 93 | 52.3 Ų | 52.3 | 44% | 0.435 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 146.6 | 173.7 | -178.8 | 178.7 | 1 | 0 | 0 | 110.3 | N838 | Q826-N838 HydrophobicContact CB-CB 4.04Å; Q826-N838 PolarHBondContact N-O 3.49Å; Q826-N838 PolarHBondContact O-N 3.39Å |
| 827 | I | 88.6 | Confident | 81.7 | Confident | 29 Ų | 29 | 51.6 Ų | 51.6 | 15% | 0.149 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 135.9 | 168.5 | -52.5 | -179.6 | 0 | 0 | 0 | 108 | M788 L790 V824 V836 M837 | M788-I827 HydrophobicContact CE-CG2 3.44Å; M788-I827 VanDerWaalsContact CE-CG2 3.44Å; M788-I827 HydrophobicContact SD-CG2 4.41Å; L790-I827 HydrophobicContact CD2-CD1 3.57Å; V824-I827 HydrophobicContact CG1-CD1 4.07Å; V824-I827 HydrophobicContact CG1-CG1 3.52Å; I827-V836 WeakPolarHBondContact CA-O 3.34Å; I827-M837 HydrophobicContact CB-SD 4.37Å; I827-M837 HydrophobicContact CD1-CE 3.95Å; I827-M837 HydrophobicContact CD1-SD 4.09Å; I827-M837 HydrophobicContact CG1-CE 3.98Å; I827-M837 HydrophobicContact CG1-SD 3.86Å; I827-M837 HydrophobicContact CG2-SD 3.81Å |
| 828 | L | 89.4 | Confident | 82.1 | Confident | 44 Ų | 44 | 51.3 Ų | 51.3 | 23% | 0.23 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 144.3 | 177.3 | 174.8 | 68 | 0 | 0 | 0 | 109.3 | P835 V836 P885 | L828-P835 CarbonylContact O-C 3.39Å; L828-V836 HydrophobicContact CB-CB 4.24Å; L828-V836 PolarHBondContact N-O 3.16Å; L828-V836 PolarHBondContact O-N 2.94Å; L828-P885 HydrophobicContact CD2-CB 4.37Å |
| 829 | L | 92.9 | Very high | 83 | Confident | 7 Ų | 7 | 48.4 Ų | 48.4 | 4% | 0.037 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 114.6 | 172.2 | 179.3 | 69.4 | 0 | 0 | 0 | 108.1 | T783 M788 V798 P835 | T783-L829 PolarHBondContact OG1-O 3.29Å; M788-L829 HydrophobicContact CB-CD1 4.22Å; M788-L829 HydrophobicContact CB-CD2 3.82Å; M788-L829 HydrophobicContact SD-CD1 4.22Å; V798-L829 HydrophobicContact CG1-CD1 4.08Å; V798-L829 HydrophobicContact CG2-CD1 4.11Å; L829-P835 HydrophobicContact CD1-CB 4.5Å |
| 830 | T | 91.8 | Very high | 84.1 | Confident | 11 Ų | 11 | 47.4 Ų | 47.4 | 7% | 0.067 | 26% | 0.262 | C | S | . | . | trans | -70.9 | 167.2 | -176.7 | 77.6 | 0 | 0 | 0 | 0 | 112.1 | H832 G833 I834 V836 P885 | T830-H832 PolarHBondContact O-N 3.18Å; T830-H832 PolarHBondContact OG1-N 3.26Å; T830-G833 PolarHBondContact O-N 3.11Å; T830-I834 HydrophobicContact CG2-CB 3.99Å; T830-I834 PolarHBondContact N-O 3.4Å; T830-I834 WeakPolarHBondContact OG1-CB 3.46Å; T830-I834 PolarHBondContact OG1-N 2.78Å; T830-V836 HydrophobicContact CG2-CG2 4.26Å; T830-P885 HydrophobicContact CG2-CB 4.03Å; T830-P885 HydrophobicContact CG2-CG 4.33Å | ||
| 831 | Q | 88.1 | Confident | 85.6 | Confident | 163 Ų | 163 | 45.7 Ų | 45.7 | 76% | 0.762 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -9.9 | 174.2 | -62.9 | -179.7 | -1.2 | 0 | 0 | 114 | T783 Y786 | T783-Q831 HydrophobicContact CG2-CG 4.33Å; Y786-Q831 VanDerWaalsContact CE2-O 3.23Å; Y786-Q831 WeakPolarHBondContact CE2-O 3.32Å |
| 832 | H | 89.3 | Confident | 86.5 | Confident | 81 Ų | 81 | 38.3 Ų | 38.3 | 38% | 0.375 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 12.3 | 174.9 | -60.7 | -60.8 | 0 | 0 | 0 | 113 | T830 I834 Q930 | T830-H832 PolarHBondContact O-N 3.18Å; T830-H832 PolarHBondContact OG1-N 3.26Å; H832-I834 VanDerWaalsContact C-N 3.29Å; H832-I834 HydrophobicContact CB-CG1 4.33Å; H832-I834 PolarHBondContact O-N 3.33Å; H832-Q930 HydrophobicContact CB-CB 4.22Å; H832-Q930 PolarHBondContact CD2-O 3.43Å; H832-Q930 PolarHBondContact NE2-O 2.85Å |
| 833 | G | 91.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | S | Bend | trans | 75.6 | 13.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y786 T830 P835 | Y786-G833 VanDerWaalsContact CD1-CA 3.41Å; Y786-G833 VanDerWaalsContact CG-CA 3.45Å; T830-G833 PolarHBondContact O-N 3.11Å; G833-P835 WeakPolarHBondContact O-CD 3.34Å |
| 834 | I | 95.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -77.7 | 117.3 | 176.3 | -51.4 | -59.1 | 0 | 0 | 0 | 108.4 | T830 H832 C846 P849 L929 Q930 | T830-I834 HydrophobicContact CG2-CB 3.99Å; T830-I834 PolarHBondContact N-O 3.4Å; T830-I834 WeakPolarHBondContact OG1-CB 3.46Å; T830-I834 PolarHBondContact OG1-N 2.78Å; H832-I834 VanDerWaalsContact C-N 3.29Å; H832-I834 HydrophobicContact CB-CG1 4.33Å; H832-I834 PolarHBondContact O-N 3.33Å; I834-C846 HydrophobicContact CG2-CB 3.94Å; I834-P849 HydrophobicContact CD1-CG 3.88Å; I834-L929 HydrophobicContact CG2-CD2 4.42Å; I834-Q930 HydrophobicContact CD1-CG 4.18Å; I834-Q930 HydrophobicContact CG1-CG 4.31Å | ||
| 835 | P | 95.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 140.6 | 172.8 | 35.1 | -33.9 | 0 | 0 | 0 | 109.7 | M788 L796 V798 V808 L828 L829 G833 C846 F847 | M788-P835 HydrophobicContact SD-CB 3.73Å; L796-P835 HydrophobicContact CD1-CB 4.16Å; L796-P835 HydrophobicContact CD2-CB 3.92Å; L796-P835 HydrophobicContact CD2-CG 3.82Å; V798-P835 HydrophobicContact CG2-CB 4.28Å; V798-P835 HydrophobicContact CG2-CG 4.16Å; V808-P835 HydrophobicContact CG2-CG 4.03Å; L828-P835 CarbonylContact O-C 3.39Å; L829-P835 HydrophobicContact CD1-CB 4.5Å; G833-P835 WeakPolarHBondContact O-CD 3.34Å; P835-C846 VanDerWaalsContact O-CA 3.28Å; P835-C846 WeakPolarHBondContact O-CA 3.43Å; P835-F847 HydrophobicContact CG-CB 3.74Å; P835-F847 PolarHBondContact O-N 3.08Å; P835-F847 VanDerWaalsContact O-N 3.09Å |
| 836 | V | 93.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 133.1 | 177.7 | -167 | 0 | 0 | 0 | 0 | 109.5 | I827 L828 T830 Y845 C846 I889 L929 | I827-V836 WeakPolarHBondContact CA-O 3.34Å; L828-V836 HydrophobicContact CB-CB 4.24Å; L828-V836 PolarHBondContact N-O 3.16Å; L828-V836 PolarHBondContact O-N 2.94Å; T830-V836 HydrophobicContact CG2-CG2 4.26Å; V836-Y845 CarbonylContact C-O 3.53Å; V836-Y845 WeakPolarHBondContact CA-O 3.48Å; V836-C846 HydrophobicContact CB-CB 4.36Å; V836-C846 HydrophobicContact CG1-CB 4.23Å; V836-C846 HydrophobicContact CG2-CB 3.86Å; V836-I889 HydrophobicContact CB-CD1 4.48Å; V836-I889 HydrophobicContact CG1-CD1 3.68Å; V836-I889 HydrophobicContact CG1-CG1 4.07Å; V836-I889 HydrophobicContact CG2-CD1 4.28Å; V836-L929 HydrophobicContact CG2-CD2 3.61Å |
| 837 | M | 90.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 104.2 | -176.5 | -58.7 | -65.3 | -63.3 | 0 | 0 | 108.3 | L796 L813 I816 V824 I827 A844 Y845 W854 | L796-M837 HydrophobicContact CD1-SD 4.01Å; L813-M837 HydrophobicContact CD1-CE 3.55Å; L813-M837 HydrophobicContact CD2-CE 3.94Å; L813-M837 HydrophobicContact CD2-CG 4.29Å; L813-M837 HydrophobicContact CD2-SD 4.29Å; L813-M837 HydrophobicContact CG-CE 4.39Å; I816-M837 HydrophobicContact CD1-CB 3.61Å; I816-M837 HydrophobicContact CD1-CG 3.77Å; V824-M837 HydrophobicContact CB-CE 4.28Å; V824-M837 HydrophobicContact CG1-CE 3.62Å; V824-M837 HydrophobicContact CG2-CE 3.61Å; I827-M837 HydrophobicContact CB-SD 4.37Å; I827-M837 HydrophobicContact CD1-CE 3.95Å; I827-M837 HydrophobicContact CD1-SD 4.09Å; I827-M837 HydrophobicContact CG1-CE 3.98Å; I827-M837 HydrophobicContact CG1-SD 3.86Å; I827-M837 HydrophobicContact CG2-SD 3.81Å; M837-A844 WeakPolarHBondContact O-CA 3.34Å; M837-Y845 PolarHBondContact N-O 2.95Å; M837-Y845 PolarHBondContact O-N 2.83Å; M837-W854 HydrophobicContact CB-CZ3 4.27Å; M837-W854 HydrophobicContact CG-CH2 3.53Å; M837-W854 HydrophobicContact CG-CZ3 3.54Å |
| 838 | N | 88.4 | Confident | 90.5 | Very high | 8 Ų | 8 | 25.9 Ų | 25.9 | 4% | 0.043 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 135.2 | 168.8 | -75.7 | 69.9 | 0 | 0 | 0 | 109 | V824 S825 Q826 | V824-N838 CarbonylContact C-O 3.49Å; S825-N838 PolarHBondContact N-O 2.96Å; S825-N838 VanDerWaalsContact OG-C 3.3Å; S825-N838 PolarHBondContact OG-O 3.39Å; Q826-N838 HydrophobicContact CB-CB 4.04Å; Q826-N838 PolarHBondContact N-O 3.49Å; Q826-N838 PolarHBondContact O-N 3.39Å |
| 839 | L | 87.2 | Confident | 90.5 | Very high | 3 Ų | 3 | 25.7 Ų | 25.7 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 168.7 | -179 | -54.2 | -175.2 | 0 | 0 | 0 | 111.1 | I816 L817 M822 T823 V824 S825 D841 G842 K843 Y845 | I816-L839 VanDerWaalsContact O-CD1 3.31Å; I816-L839 WeakPolarHBondContact O-CD1 3.44Å; L817-L839 HydrophobicContact CD2-CD2 3.74Å; M822-L839 HydrophobicContact CE-CB 3.95Å; M822-L839 HydrophobicContact CE-CD1 3.46Å; M822-L839 VanDerWaalsContact CE-CD1 3.46Å; M822-L839 HydrophobicContact CE-CG 4.35Å; T823-L839 CarbonylContact O-C 3.46Å; T823-L839 WeakPolarHBondContact O-CA 3.38Å; V824-L839 HydrophobicContact CG2-CD2 4.02Å; S825-L839 PolarHBondContact OG-O 3.02Å; L839-D841 VanDerWaalsContact C-N 3.31Å; L839-D841 WeakPolarHBondContact CB-OD1 3.09Å; L839-D841 PolarHBondContact O-N 3.46Å; L839-G842 PolarHBondContact O-N 3.08Å; L839-K843 PolarHBondContact N-O 2.91Å; L839-Y845 HydrophobicContact CD1-CD2 3.87Å; L839-Y845 HydrophobicContact CD1-CE2 3.72Å; L839-Y845 HydrophobicContact CG-CD2 4.37Å |
| 840 | S | 83.3 | Confident | 90.4 | Very high | 64 Ų | 64 | 30.4 Ų | 30.4 | 45% | 0.448 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -15.8 | -176 | 62.3 | 0 | 0 | 0 | 0 | 114.3 | M822 T823 G842 | M822-S840 WeakPolarHBondContact CA-OG 3.47Å; T823-S840 PolarHBondContact N-OG 3.05Å; T823-S840 WeakPolarHBondContact O-CB 3.35Å; T823-S840 PolarHBondContact O-N 2.84Å; T823-S840 WeakPolarHBondContact OG1-CB 3.41Å; S840-G842 VanDerWaalsContact C-N 3.27Å |
| 841 | D | 83.1 | Confident | 90.2 | Very high | 25 Ų | 25 | 35 Ų | 35 | 13% | 0.134 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -10.6 | 171.8 | 74.1 | -26 | 0 | 0 | 0 | 112.9 | M822 L839 K843 Q861 | M822-D841 HydrophobicContact CE-CB 4.02Å; M822-D841 WeakPolarHBondContact CE-OD1 3.3Å; M822-D841 WeakPolarHBondContact CE-OD2 3.38Å; M822-D841 HydrophobicContact CG-CB 4.23Å; M822-D841 HydrophobicContact SD-CB 3.79Å; L839-D841 VanDerWaalsContact C-N 3.31Å; L839-D841 WeakPolarHBondContact CB-OD1 3.09Å; L839-D841 PolarHBondContact O-N 3.46Å; D841-K843 WeakPolarHBondContact OD1-CB 3.24Å; D841-K843 PolarHBondContact OD1-N 2.97Å; D841-K843 WeakPolarHBondContact OD2-CD 3.12Å; D841-K843 VanDerWaalsContact OD2-CG 3.31Å; D841-K843 WeakPolarHBondContact OD2-CG 3.33Å; D841-K843 IonicContact OD2-NZ 3.33Å; D841-K843 PolarHBondContact OD2-NZ 3.33Å; D841-Q861 PolarHBondContact O-NE2 3.33Å |
| 842 | G | 82.6 | Confident | 90.4 | Very high | 16 Ų | 16 | 30.8 Ų | 30.8 | 17% | 0.165 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 95.7 | 1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | L839 S840 K860 | L839-G842 PolarHBondContact O-N 3.08Å; S840-G842 VanDerWaalsContact C-N 3.27Å; G842-K860 WeakPolarHBondContact O-CG 3.4Å; G842-K860 PolarHBondContact O-N 3.34Å |
| 843 | K | 89 | Confident | 90.5 | Very high | 47 Ų | 47 | 29.4 Ų | 29.4 | 20% | 0.204 | 18% | 0.178 | C | C | . | . | trans | -74.1 | 153.8 | 167.1 | -68.9 | -174.2 | -171.1 | 73 | 0 | 111.5 | L839 D841 Y845 L856 S858 D859 | L839-K843 PolarHBondContact N-O 2.91Å; D841-K843 WeakPolarHBondContact OD1-CB 3.24Å; D841-K843 PolarHBondContact OD1-N 2.97Å; D841-K843 WeakPolarHBondContact OD2-CD 3.12Å; D841-K843 VanDerWaalsContact OD2-CG 3.31Å; D841-K843 WeakPolarHBondContact OD2-CG 3.33Å; D841-K843 IonicContact OD2-NZ 3.33Å; D841-K843 PolarHBondContact OD2-NZ 3.33Å; K843-Y845 HydrophobicContact CB-CD2 4.46Å; K843-Y845 HydrophobicContact CB-CE2 3.8Å; K843-Y845 HydrophobicContact CD-CE2 4.11Å; K843-Y845 WeakPolarHBondContact CD-OH 3.46Å; K843-L856 HydrophobicContact CB-CD1 3.86Å; K843-L856 HydrophobicContact CD-CD1 4.02Å; K843-L856 HydrophobicContact CG-CD1 3.98Å; K843-S858 CarbonylContact C-O 3.59Å; K843-S858 VanDerWaalsContact CA-O 3.31Å; K843-S858 WeakPolarHBondContact CA-O 3.29Å; K843-D859 WeakPolarHBondContact CE-OD2 3.37Å; K843-D859 HydrophobicContact CG-CB 4.16Å; K843-D859 WeakPolarHBondContact CG-OD2 3.48Å; K843-D859 IonicContact NZ-OD2 2.66Å | ||
| 844 | A | 91.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 126.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | M837 V857 S858 I889 | M837-A844 WeakPolarHBondContact O-CA 3.34Å; A844-V857 WeakPolarHBondContact O-CG2 3.26Å; A844-V857 PolarHBondContact O-N 3.11Å; A844-S858 PolarHBondContact N-O 3.3Å; A844-S858 PolarHBondContact O-N 2.99Å; A844-I889 HydrophobicContact CB-CG2 3.3Å |
| 845 | Y | 93.1 | Very high | 90.6 | Very high | 53 Ų | 53 | 33.1 Ų | 33.1 | 21% | 0.208 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 133.9 | -179.6 | -64.9 | -91.6 | 0 | 0 | 0 | 110.1 | I816 V836 M837 L839 K843 N855 L856 | I816-Y845 HydrophobicContact CB-CD2 4.34Å; I816-Y845 HydrophobicContact CB-CG 4.46Å; I816-Y845 HydrophobicContact CG2-CD1 4.2Å; I816-Y845 HydrophobicContact CG2-CD2 4.41Å; I816-Y845 HydrophobicContact CG2-CG 4.04Å; V836-Y845 CarbonylContact C-O 3.53Å; V836-Y845 WeakPolarHBondContact CA-O 3.48Å; M837-Y845 PolarHBondContact N-O 2.95Å; M837-Y845 PolarHBondContact O-N 2.83Å; L839-Y845 HydrophobicContact CD1-CD2 3.87Å; L839-Y845 HydrophobicContact CD1-CE2 3.72Å; L839-Y845 HydrophobicContact CG-CD2 4.37Å; K843-Y845 HydrophobicContact CB-CD2 4.46Å; K843-Y845 HydrophobicContact CB-CE2 3.8Å; K843-Y845 HydrophobicContact CD-CE2 4.11Å; K843-Y845 WeakPolarHBondContact CD-OH 3.46Å; Y845-N855 CarbonylContact C-O 3.43Å; Y845-N855 VanDerWaalsContact CA-O 3.27Å; Y845-N855 WeakPolarHBondContact CA-O 3.36Å; Y845-L856 HydrophobicContact CD1-CB 4.23Å; Y845-L856 HydrophobicContact CD1-CD1 4.37Å; Y845-L856 HydrophobicContact CE1-CB 3.99Å; Y845-L856 HydrophobicContact CE1-CD1 3.98Å; Y845-L856 HydrophobicContact CE2-CD1 4.22Å |
| 846 | C | 94.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 147 | 168.9 | 73.4 | 0 | 0 | 0 | 0 | 111.5 | I834 P835 V836 W854 N855 V857 L929 | I834-C846 HydrophobicContact CG2-CB 3.94Å; P835-C846 VanDerWaalsContact O-CA 3.28Å; P835-C846 WeakPolarHBondContact O-CA 3.43Å; V836-C846 HydrophobicContact CB-CB 4.36Å; V836-C846 HydrophobicContact CG1-CB 4.23Å; V836-C846 HydrophobicContact CG2-CB 3.86Å; C846-W854 WeakPolarHBondContact O-CA 3.16Å; C846-N855 PolarHBondContact N-O 3.37Å; C846-N855 PolarHBondContact O-N 3.25Å; C846-N855 PolarHBondContact O-ND2 2.9Å; C846-V857 HydrophobicContact CB-CG2 4.3Å; C846-V857 WeakPolarHBondContact SG-CG1 3.36Å; C846-L929 HydrophobicContact CB-CD2 3.74Å |
| 847 | F | 95.3 | Very high | 90.4 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 2% | 0.022 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 121.2 | 176.2 | -170.1 | -88.4 | 0 | 0 | 0 | 110.5 | V808 E811 P835 P849 S852 T853 W854 | V808-F847 HydrophobicContact CB-CD1 4.25Å; V808-F847 HydrophobicContact CB-CE1 4.39Å; V808-F847 HydrophobicContact CG1-CD1 3.8Å; V808-F847 HydrophobicContact CG1-CE1 3.89Å; V808-F847 HydrophobicContact CG1-CG 4.16Å; V808-F847 HydrophobicContact CG1-CZ 4.34Å; V808-F847 HydrophobicContact CG2-CD1 3.52Å; V808-F847 HydrophobicContact CG2-CE1 4Å; V808-F847 HydrophobicContact CG2-CG 4.32Å; E811-F847 HydrophobicContact CB-CE2 4.44Å; E811-F847 VanDerWaalsContact CD-CE2 3.49Å; E811-F847 HydrophobicContact CG-CD2 4.15Å; E811-F847 HydrophobicContact CG-CE1 4.4Å; E811-F847 HydrophobicContact CG-CE2 3.51Å; E811-F847 HydrophobicContact CG-CZ 3.64Å; P835-F847 HydrophobicContact CG-CB 3.74Å; P835-F847 PolarHBondContact O-N 3.08Å; P835-F847 VanDerWaalsContact O-N 3.09Å; F847-P849 WeakPolarHBondContact O-CD 3.26Å; F847-S852 VanDerWaalsContact CZ-C 3.46Å; F847-T853 CarbonylContact C-O 3.57Å; F847-T853 VanDerWaalsContact CA-O 3.29Å; F847-T853 WeakPolarHBondContact CA-O 3.37Å; F847-T853 WeakPolarHBondContact CD2-O 3.39Å; F847-W854 HydrophobicContact CB-CD2 4.18Å; F847-W854 HydrophobicContact CB-CE3 3.98Å; F847-W854 HydrophobicContact CB-CH2 4.11Å; F847-W854 HydrophobicContact CB-CZ2 4.29Å; F847-W854 HydrophobicContact CB-CZ3 3.95Å; F847-W854 HydrophobicContact CD2-CD2 4.01Å; F847-W854 AromaticContact CD2-CE2 3.86Å; F847-W854 HydrophobicContact CD2-CG 4.11Å; F847-W854 HydrophobicContact CD2-CZ2 4.37Å; F847-W854 AromaticContact CD2-NE1 3.84Å |
| 848 | N | 93.7 | Very high | 90.3 | Very high | 17 Ų | 17 | 38.1 Ų | 38.1 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 111.9 | 177.3 | -177.5 | -25.6 | 0 | 0 | 0 | 110 | S850 L851 S852 T853 N855 T928 | N848-S850 VanDerWaalsContact C-N 3.28Å; N848-S850 PolarHBondContact O-N 2.95Å; N848-S850 PolarHBondContact OD1-N 3.25Å; N848-L851 HydrophobicContact CB-CB 4.26Å; N848-L851 HydrophobicContact CB-CD1 4.48Å; N848-L851 HydrophobicContact CB-CG 4.49Å; N848-L851 PolarHBondContact O-N 3.25Å; N848-L851 PolarHBondContact OD1-N 3.26Å; N848-S852 WeakPolarHBondContact O-CA 3.4Å; N848-S852 PolarHBondContact O-N 2.97Å; N848-T853 PolarHBondContact N-O 2.94Å; N848-N855 WeakPolarHBondContact CB-ND2 3.11Å; N848-T928 HydrophobicContact CB-CG2 4Å |
| 849 | P | 91.1 | Very high | 90.3 | Very high | 40 Ų | 40 | 39.6 Ų | 39.6 | 26% | 0.26 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -33.7 | -177.8 | -27.4 | 37.8 | 0 | 0 | 0 | 114.5 | V807 I834 F847 | V807-P849 HydrophobicContact CG1-CB 4.08Å; V807-P849 HydrophobicContact CG1-CG 3.52Å; V807-P849 WeakPolarHBondContact O-CB 3.44Å; I834-P849 HydrophobicContact CD1-CG 3.88Å; F847-P849 WeakPolarHBondContact O-CD 3.26Å |
| 850 | S | 89 | Confident | 89.9 | Confident | 105 Ų | 105 | 43.6 Ų | 43.6 | 73% | 0.734 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -27 | -176.8 | -54.7 | 0 | 0 | 0 | 0 | 112.9 | N848 | N848-S850 VanDerWaalsContact C-N 3.28Å; N848-S850 PolarHBondContact O-N 2.95Å; N848-S850 PolarHBondContact OD1-N 3.25Å |
| 851 | L | 88.5 | Confident | 89.5 | Confident | 108 Ų | 108 | 46.6 Ų | 46.6 | 57% | 0.565 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -18.4 | 175.3 | -61 | -179.5 | 0 | 0 | 0 | 112.6 | N848 T853 | N848-L851 HydrophobicContact CB-CB 4.26Å; N848-L851 HydrophobicContact CB-CD1 4.48Å; N848-L851 HydrophobicContact CB-CG 4.49Å; N848-L851 PolarHBondContact O-N 3.25Å; N848-L851 PolarHBondContact OD1-N 3.26Å; L851-T853 VanDerWaalsContact C-N 3.29Å; L851-T853 HydrophobicContact CB-CG2 4.22Å; L851-T853 WeakPolarHBondContact CB-OG1 3.13Å; L851-T853 PolarHBondContact O-N 3.33Å |
| 852 | S | 91.7 | Very high | 89 | Confident | 75 Ų | 75 | 48.4 Ų | 48.4 | 52% | 0.524 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 37.6 | -170.6 | -161.3 | 0 | 0 | 0 | 0 | 113.5 | F847 N848 | F847-S852 VanDerWaalsContact CZ-C 3.46Å; N848-S852 WeakPolarHBondContact O-CA 3.4Å; N848-S852 PolarHBondContact O-N 2.97Å |
| 853 | T | 93.1 | Very high | 88.1 | Confident | 52 Ų | 52 | 51 Ų | 51 | 32% | 0.319 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 150.1 | -175.8 | 55.4 | 0 | 0 | 0 | 0 | 113 | F847 N848 L851 N855 | F847-T853 CarbonylContact C-O 3.57Å; F847-T853 VanDerWaalsContact CA-O 3.29Å; F847-T853 WeakPolarHBondContact CA-O 3.37Å; F847-T853 WeakPolarHBondContact CD2-O 3.39Å; N848-T853 PolarHBondContact N-O 2.94Å; L851-T853 VanDerWaalsContact C-N 3.29Å; L851-T853 HydrophobicContact CB-CG2 4.22Å; L851-T853 WeakPolarHBondContact CB-OG1 3.13Å; L851-T853 PolarHBondContact O-N 3.33Å; T853-N855 PolarHBondContact O-ND2 2.91Å; T853-N855 PolarHBondContact OG1-ND2 3.05Å; T853-N855 PolarHBondContact OG1-OD1 3.25Å |
| 854 | W | 93.4 | Very high | 87.5 | Confident | 42 Ų | 42 | 51 Ų | 51 | 16% | 0.159 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 132 | 155.6 | -71.2 | 102.3 | 0 | 0 | 0 | 109.8 | L796 L813 I816 M837 C846 F847 | L796-W854 HydrophobicContact CD1-CH2 4.33Å; L813-W854 HydrophobicContact CD2-CH2 3.92Å; L813-W854 HydrophobicContact CD2-CZ2 3.63Å; I816-W854 HydrophobicContact CD1-CD2 4.45Å; I816-W854 HydrophobicContact CD1-CE3 4.28Å; I816-W854 HydrophobicContact CD1-CH2 4.41Å; I816-W854 HydrophobicContact CD1-CZ3 4.26Å; I816-W854 HydrophobicContact CG2-CB 3.9Å; I816-W854 HydrophobicContact CG2-CD2 3.98Å; I816-W854 HydrophobicContact CG2-CE3 4.43Å; I816-W854 HydrophobicContact CG2-CG 3.72Å; M837-W854 HydrophobicContact CB-CZ3 4.27Å; M837-W854 HydrophobicContact CG-CH2 3.53Å; M837-W854 HydrophobicContact CG-CZ3 3.54Å; C846-W854 WeakPolarHBondContact O-CA 3.16Å; F847-W854 HydrophobicContact CB-CD2 4.18Å; F847-W854 HydrophobicContact CB-CE3 3.98Å; F847-W854 HydrophobicContact CB-CH2 4.11Å; F847-W854 HydrophobicContact CB-CZ2 4.29Å; F847-W854 HydrophobicContact CB-CZ3 3.95Å; F847-W854 HydrophobicContact CD2-CD2 4.01Å; F847-W854 AromaticContact CD2-CE2 3.86Å; F847-W854 HydrophobicContact CD2-CG 4.11Å; F847-W854 HydrophobicContact CD2-CZ2 4.37Å; F847-W854 AromaticContact CD2-NE1 3.84Å |
| 855 | N | 94.3 | Very high | 86.8 | Confident | 36 Ų | 36 | 51.3 Ų | 51.3 | 19% | 0.193 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 131.6 | -174.8 | -52.4 | -87.7 | 0 | 0 | 0 | 109.3 | Y845 C846 N848 T853 V857 T928 | Y845-N855 CarbonylContact C-O 3.43Å; Y845-N855 VanDerWaalsContact CA-O 3.27Å; Y845-N855 WeakPolarHBondContact CA-O 3.36Å; C846-N855 PolarHBondContact N-O 3.37Å; C846-N855 PolarHBondContact O-N 3.25Å; C846-N855 PolarHBondContact O-ND2 2.9Å; N848-N855 WeakPolarHBondContact CB-ND2 3.11Å; T853-N855 PolarHBondContact O-ND2 2.91Å; T853-N855 PolarHBondContact OG1-ND2 3.05Å; T853-N855 PolarHBondContact OG1-OD1 3.25Å; N855-V857 PolarHBondContact O-N 3.35Å; N855-T928 HydrophobicContact CB-CG2 3.82Å |
| 856 | L | 93 | Very high | 86 | Confident | 88 Ų | 88 | 54.6 Ų | 54.6 | 46% | 0.461 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 117.4 | 175 | -177.6 | 65.6 | 0 | 0 | 0 | 109.2 | K843 Y845 S858 | K843-L856 HydrophobicContact CB-CD1 3.86Å; K843-L856 HydrophobicContact CD-CD1 4.02Å; K843-L856 HydrophobicContact CG-CD1 3.98Å; Y845-L856 HydrophobicContact CD1-CB 4.23Å; Y845-L856 HydrophobicContact CD1-CD1 4.37Å; Y845-L856 HydrophobicContact CE1-CB 3.99Å; Y845-L856 HydrophobicContact CE1-CD1 3.98Å; Y845-L856 HydrophobicContact CE2-CD1 4.22Å; L856-S858 VanDerWaalsContact CD1-O 3.25Å; L856-S858 WeakPolarHBondContact CD1-O 3.36Å |
| 857 | V | 91.6 | Very high | 85.2 | Confident | 8 Ų | 8 | 56.3 Ų | 56.3 | 5% | 0.048 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | -6.2 | -178.3 | -68.5 | 0 | 0 | 0 | 0 | 113.8 | A844 C846 N855 L886 I889 Q890 A925 L929 | A844-V857 WeakPolarHBondContact O-CG2 3.26Å; A844-V857 PolarHBondContact O-N 3.11Å; C846-V857 HydrophobicContact CB-CG2 4.3Å; C846-V857 WeakPolarHBondContact SG-CG1 3.36Å; N855-V857 PolarHBondContact O-N 3.35Å; V857-L886 HydrophobicContact CB-CD1 4.47Å; V857-L886 WeakPolarHBondContact O-CD1 3.08Å; V857-I889 HydrophobicContact CG2-CD1 4.35Å; V857-Q890 PolarHBondContact O-NE2 3Å; V857-A925 HydrophobicContact CB-CB 3.95Å; V857-A925 HydrophobicContact CG1-CB 4.03Å; V857-L929 HydrophobicContact CB-CD1 4.44Å; V857-L929 HydrophobicContact CG1-CG 4.4Å; V857-L929 HydrophobicContact CG2-CD1 4.4Å; V857-L929 HydrophobicContact CG2-CD2 4.45Å |
| 858 | S | 88.7 | Confident | 84.7 | Confident | 9 Ų | 9 | 56 Ų | 56 | 6% | 0.063 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 138.8 | 169.1 | 178.6 | 0 | 0 | 0 | 0 | 109.1 | K843 A844 L856 | K843-S858 CarbonylContact C-O 3.59Å; K843-S858 VanDerWaalsContact CA-O 3.31Å; K843-S858 WeakPolarHBondContact CA-O 3.29Å; A844-S858 PolarHBondContact N-O 3.3Å; A844-S858 PolarHBondContact O-N 2.99Å; L856-S858 VanDerWaalsContact CD1-O 3.25Å; L856-S858 WeakPolarHBondContact CD1-O 3.36Å |
| 859 | D | 88.6 | Confident | 84.3 | Confident | 39 Ų | 39 | 57.6 Ų | 57.6 | 21% | 0.209 | 32% | 0.32 | C | S | . | . | trans | -127 | 130.1 | 156.9 | -169.3 | -25.3 | 0 | 0 | 0 | 107.3 | K843 Q861 D862 | K843-D859 WeakPolarHBondContact CE-OD2 3.37Å; K843-D859 HydrophobicContact CG-CB 4.16Å; K843-D859 WeakPolarHBondContact CG-OD2 3.48Å; K843-D859 IonicContact NZ-OD2 2.66Å; D859-Q861 WeakPolarHBondContact OD1-CB 3.23Å; D859-Q861 PolarHBondContact OD1-N 3.21Å; D859-D862 HydrophobicContact CB-CB 3.98Å | ||
| 860 | K | 78.6 | Confident | 83.9 | Confident | 87 Ų | 87 | 55.7 Ų | 55.7 | 38% | 0.378 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -91.8 | -9.1 | -179.5 | -70.1 | 173.8 | -178.5 | 173 | 0 | 113 | G842 I889 Q890 | G842-K860 WeakPolarHBondContact O-CG 3.4Å; G842-K860 PolarHBondContact O-N 3.34Å; K860-I889 WeakPolarHBondContact CE-O 3.22Å; K860-I889 PolarHBondContact NZ-O 2.92Å; K860-Q890 WeakPolarHBondContact CE-O 3.12Å |
| 861 | Q | 75.7 | Confident | 83.2 | Confident | 126 Ų | 126 | 59 Ų | 59 | 59% | 0.589 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -90.2 | -18.1 | 171.1 | -52.9 | -170.6 | 17.7 | 0 | 0 | 111.9 | D841 D859 S863 | D841-Q861 PolarHBondContact O-NE2 3.33Å; D859-Q861 WeakPolarHBondContact OD1-CB 3.23Å; D859-Q861 PolarHBondContact OD1-N 3.21Å; Q861-S863 PolarHBondContact O-N 3.12Å |
| 862 | D | 72.7 | Confident | 82.5 | Confident | 63 Ų | 63 | 57.7 Ų | 57.7 | 34% | 0.337 | 30% | 0.303 | S | S | . | . | trans | -63.7 | 128.4 | 178.2 | -174.9 | 6.1 | 0 | 0 | 0 | 111.5 | D859 L864 | D859-D862 HydrophobicContact CB-CB 3.98Å; D862-L864 WeakPolarHBondContact OD1-CG 3.23Å; D862-L864 PolarHBondContact OD1-N 2.66Å; D862-L864 WeakPolarHBondContact OD2-CD1 3.3Å | ||
| 863 | S | 62.4 | Low | 81.7 | Confident | 72 Ų | 72 | 54.2 Ų | 54.2 | 50% | 0.503 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -80.3 | -18.1 | -177.2 | -60.2 | 0 | 0 | 0 | 0 | 113.1 | Q861 A865 Q866 C867 | Q861-S863 PolarHBondContact O-N 3.12Å; S863-A865 PolarHBondContact O-N 3.33Å; S863-Q866 PolarHBondContact O-N 2.91Å; S863-C867 PolarHBondContact O-N 3.5Å |
| 864 | L | 78.2 | Confident | 80.9 | Confident | 45 Ų | 45 | 54.1 Ų | 54.1 | 24% | 0.236 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -52.6 | -42.4 | -179 | -66.5 | 178.4 | 0 | 0 | 0 | 112 | D862 Q866 C867 A868 T914 | D862-L864 WeakPolarHBondContact OD1-CG 3.23Å; D862-L864 PolarHBondContact OD1-N 2.66Å; D862-L864 WeakPolarHBondContact OD2-CD1 3.3Å; L864-Q866 VanDerWaalsContact C-N 3.25Å; L864-Q866 PolarHBondContact O-N 3Å; L864-C867 PolarHBondContact O-N 2.81Å; L864-A868 WeakPolarHBondContact O-CB 3.32Å; L864-A868 PolarHBondContact O-N 2.83Å; L864-T914 HydrophobicContact CB-CG2 4.47Å; L864-T914 HydrophobicContact CD2-CG2 3.69Å |
| 865 | A | 75.5 | Confident | 79.6 | Confident | 7 Ų | 7 | 54 Ų | 54 | 6% | 0.058 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.9 | -21.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | S863 T893 S896 G897 Y918 | S863-A865 PolarHBondContact O-N 3.33Å; A865-T893 HydrophobicContact CB-CG2 3.77Å; A865-S896 WeakPolarHBondContact O-CB 3.36Å; A865-G897 PolarHBondContact O-N 3.18Å; A865-Y918 HydrophobicContact CB-CD2 3.9Å; A865-Y918 HydrophobicContact CB-CE2 3.5Å |
| 866 | Q | 75.8 | Confident | 77.7 | Confident | 123 Ų | 123 | 58.3 Ų | 58.3 | 58% | 0.575 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -92.4 | -27.9 | 178.3 | -55.2 | -175.5 | 32.6 | 0 | 0 | 112 | S863 L864 | S863-Q866 PolarHBondContact O-N 2.91Å; L864-Q866 VanDerWaalsContact C-N 3.25Å; L864-Q866 PolarHBondContact O-N 3Å |
| 867 | C | 79.1 | Confident | 75.7 | Confident | 35 Ų | 35 | 62.8 Ų | 62.8 | 24% | 0.236 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -90.9 | -22.2 | -178.2 | -69.8 | 0 | 0 | 0 | 0 | 113.9 | S863 L864 D869 L903 Q911 T914 | S863-C867 PolarHBondContact O-N 3.5Å; L864-C867 PolarHBondContact O-N 2.81Å; C867-D869 PolarHBondContact O-N 2.84Å; C867-L903 HydrophobicContact CB-CD1 3.85Å; C867-Q911 WeakPolarHBondContact O-CG 3.43Å; C867-Q911 PolarHBondContact O-NE2 3.09Å; C867-T914 HydrophobicContact CB-CG2 3.57Å |
| 868 | A | 84.8 | Confident | 73.5 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 36% | 0.358 | C | S | . | . | trans | -65.4 | 117.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L864 F870 G897 A900 T915 Y918 | L864-A868 WeakPolarHBondContact O-CB 3.32Å; L864-A868 PolarHBondContact O-N 2.83Å; A868-F870 HydrophobicContact CB-CD1 4.24Å; A868-F870 HydrophobicContact CB-CE1 4.35Å; A868-G897 WeakPolarHBondContact O-CA 3.46Å; A868-A900 VanDerWaalsContact O-CB 3.24Å; A868-A900 WeakPolarHBondContact O-CB 3.38Å; A868-T915 WeakPolarHBondContact CA-OG1 3.37Å; A868-T915 HydrophobicContact CB-CG2 4.19Å; A868-Y918 HydrophobicContact CB-CD1 3.85Å; A868-Y918 HydrophobicContact CB-CG 3.89Å | ||
| 869 | D | 84.8 | Confident | 71.5 | Confident | 50 Ų | 50 | 71 Ų | 71 | 27% | 0.267 | 39% | 0.387 | S | S | . | . | trans | -108.2 | 97.2 | 173.4 | -178.1 | 7.5 | 0 | 0 | 0 | 110.7 | C867 R871 A900 T915 | C867-D869 PolarHBondContact O-N 2.84Å; D869-R871 VanDerWaalsContact OD1-CB 3.32Å; D869-R871 WeakPolarHBondContact OD1-CB 3.46Å; D869-R871 PolarHBondContact OD1-N 3.5Å; D869-A900 HydrophobicContact CB-CB 4.31Å; D869-T915 PolarHBondContact N-OG1 3.1Å; D869-T915 WeakPolarHBondContact O-CG2 3.47Å | ||
| 870 | F | 81.7 | Confident | 69.7 | Low | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 41% | 0.407 | C | S | . | . | trans | -112.7 | 18.4 | 171.1 | 55.3 | -95.4 | 0 | 0 | 0 | 111.9 | A868 S872 S873 L874 R898 T915 Y918 L919 W938 L941 Y945 | A868-F870 HydrophobicContact CB-CD1 4.24Å; A868-F870 HydrophobicContact CB-CE1 4.35Å; F870-S872 PolarHBondContact O-N 2.84Å; F870-S873 WeakPolarHBondContact O-CB 3.2Å; F870-S873 PolarHBondContact O-N 3.02Å; F870-L874 HydrophobicContact CD2-CD2 4.29Å; F870-L874 HydrophobicContact CD2-CG 4.38Å; F870-L874 HydrophobicContact CE2-CD2 4.19Å; F870-R898 HydrophobicContact CE2-CG 4.08Å; F870-R898 HydrophobicContact CZ-CG 4.4Å; F870-T915 HydrophobicContact CB-CG2 3.96Å; F870-T915 HydrophobicContact CD1-CG2 4.24Å; F870-Y918 HydrophobicContact CD1-CD1 4.3Å; F870-Y918 HydrophobicContact CD1-CE1 4.36Å; F870-Y918 AromaticContact CE1-CD1 3.84Å; F870-Y918 HydrophobicContact CE1-CD1 3.84Å; F870-Y918 AromaticContact CE1-CE1 3.49Å; F870-Y918 HydrophobicContact CE1-CE1 3.49Å; F870-Y918 VanDerWaalsContact CE1-CE1 3.49Å; F870-Y918 HydrophobicContact CZ-CE1 4.09Å; F870-L919 HydrophobicContact CB-CD1 4.1Å; F870-L919 HydrophobicContact CD1-CD2 4.13Å; F870-L919 HydrophobicContact CD1-CG 4.48Å; F870-L919 HydrophobicContact CG-CD2 4.27Å; F870-W938 HydrophobicContact CZ-CZ3 4.34Å; F870-L941 HydrophobicContact CD2-CD1 4.29Å; F870-L941 HydrophobicContact CD2-CD2 3.8Å; F870-L941 HydrophobicContact CD2-CG 4.32Å; F870-L941 HydrophobicContact CE2-CD2 3.85Å; F870-Y945 HydrophobicContact CB-CD2 4.28Å | ||
| 871 | R | 75.9 | Confident | 68.6 | Low | 175 Ų | 175 | 78.6 Ų | 78.6 | 66% | 0.66 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -60.8 | -32.7 | -173.4 | -175 | 178.9 | 172.2 | -162.6 | -2.3 | 112.5 | D869 S873 | D869-R871 VanDerWaalsContact OD1-CB 3.32Å; D869-R871 WeakPolarHBondContact OD1-CB 3.46Å; D869-R871 PolarHBondContact OD1-N 3.5Å; R871-S873 PolarHBondContact O-N 2.82Å |
| 872 | S | 72.4 | Confident | 67.7 | Low | 79 Ų | 79 | 74.3 Ų | 74.3 | 55% | 0.552 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -60.3 | -20.7 | 172.8 | 58.6 | 0 | 0 | 0 | 0 | 114.8 | F870 | F870-S872 PolarHBondContact O-N 2.84Š|
| 873 | S | 75.9 | Confident | 67.5 | Low | 3 Ų | 3 | 76.5 Ų | 76.5 | 2% | 0.021 | 43% | 0.432 | C | S | . | . | G | 310 helix | trans | -105.6 | -4.3 | -169.7 | -55.5 | 0 | 0 | 0 | 0 | 113.5 | F870 R871 L941 R944 N948 | F870-S873 WeakPolarHBondContact O-CB 3.2Å; F870-S873 PolarHBondContact O-N 3.02Å; R871-S873 PolarHBondContact O-N 2.82Å; S873-L941 WeakPolarHBondContact O-CD1 3.49Å; S873-R944 WeakPolarHBondContact O-CD 3.38Å; S873-N948 PolarHBondContact OG-ND2 3.31Å |
| 874 | L | 75.1 | Confident | 68.4 | Low | 49 Ų | 49 | 73.8 Ų | 73.8 | 26% | 0.257 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -71.1 | 141.7 | 176.9 | -68.8 | 167.3 | 0 | 0 | 0 | 111.5 | F870 R898 L941 | F870-L874 HydrophobicContact CD2-CD2 4.29Å; F870-L874 HydrophobicContact CD2-CG 4.38Å; F870-L874 HydrophobicContact CE2-CD2 4.19Å; L874-R898 HydrophobicContact CD1-CB 4.22Å; L874-R898 HydrophobicContact CD1-CG 3.98Å; L874-L941 HydrophobicContact CD2-CD1 4.11Å; L874-L941 HydrophobicContact CD2-CD2 4.37Å |
| 875 | P | 66.4 | Low | 68.8 | Low | 41 Ų | 41 | 72.9 Ų | 72.9 | 27% | 0.266 | 41% | 0.412 | S | S | . | . | trans | -65.8 | 142.8 | 171.3 | 27.2 | -30.1 | 0 | 0 | 0 | 110.9 | Q877 D878 | P875-Q877 VanDerWaalsContact C-N 3.26Å; P875-Q877 PolarHBondContact O-N 2.85Å; P875-D878 HydrophobicContact CB-CB 4.34Å; P875-D878 HydrophobicContact CG-CB 3.86Å | ||
| 876 | S | 54.7 | Low | 69.4 | Low | 125 Ų | 125 | 72.5 Ų | 72.5 | 87% | 0.874 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -74.3 | -6.9 | -176.7 | 50.2 | 0 | 0 | 0 | 0 | 115.4 | ||
| 877 | Q | 51 | Low | 69.8 | Low | 183 Ų | 183 | 67.5 Ų | 67.5 | 86% | 0.855 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -128 | -22.5 | -178 | -68.7 | -173.7 | -24.1 | 0 | 0 | 114.8 | P875 A879 | P875-Q877 VanDerWaalsContact C-N 3.26Å; P875-Q877 PolarHBondContact O-N 2.85Å; Q877-A879 PolarHBondContact O-N 2.92Å |
| 878 | D | 46.2 | Very low | 70.1 | Confident | 109 Ų | 109 | 70.2 Ų | 70.2 | 58% | 0.583 | 40% | 0.4 | S | S | * | . | trans | -98.8 | 81.3 | -176.6 | -76 | -57.4 | 0 | 0 | 0 | 113.3 | P875 M880 | P875-D878 HydrophobicContact CB-CB 4.34Å; P875-D878 HydrophobicContact CG-CB 3.86Å; D878-M880 PolarHBondContact O-N 2.88Å | ||
| 879 | A | 46.4 | Very low | 70.2 | Confident | 81 Ų | 81 | 70.2 Ų | 70.2 | 67% | 0.669 | 40% | 0.4 | S | S | * | . | trans | -76.2 | 41 | 158.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q877 L881 | Q877-A879 PolarHBondContact O-N 2.92Å; A879-L881 PolarHBondContact O-N 2.88Å; A879-L881 VanDerWaalsContact O-N 3.16Å | ||
| 880 | M | 49.8 | Very low | 70.1 | Confident | 127 Ų | 127 | 68.3 Ų | 68.3 | 63% | 0.626 | 39% | 0.389 | S | S | * | . | trans | -60.9 | 119.4 | -176.7 | -164.7 | -174.7 | -169.7 | 0 | 0 | 109.9 | D878 C882 | D878-M880 PolarHBondContact O-N 2.88Å; M880-C882 PolarHBondContact O-N 3.38Å | ||
| 881 | L | 55.2 | Low | 69.9 | Low | 157 Ų | 157 | 69.9 Ų | 69.9 | 82% | 0.822 | 41% | 0.406 | S | S | * | . | trans | -68.7 | 97.9 | 174.2 | -70 | 169.1 | 0 | 0 | 0 | 108.5 | A879 S883 | A879-L881 PolarHBondContact O-N 2.88Å; A879-L881 VanDerWaalsContact O-N 3.16Å; L881-S883 PolarHBondContact O-N 2.94Å | ||
| 882 | C | 57.5 | Low | 69.1 | Low | 36 Ų | 36 | 72.8 Ų | 72.8 | 24% | 0.243 | 42% | 0.417 | C | S | . | . | trans | -63.3 | 109.3 | 171.3 | -67.9 | 0 | 0 | 0 | 0 | 108.2 | M880 A887 | M880-C882 PolarHBondContact O-N 3.38Å; C882-A887 HydrophobicContact CB-CB 4.4Å; C882-A887 WeakPolarHBondContact O-CB 3.11Å | ||
| 883 | S | 68.4 | Low | 68.5 | Low | 110 Ų | 110 | 70.6 Ų | 70.6 | 77% | 0.769 | 40% | 0.4 | S | S | * | . | trans | -98.7 | 19.5 | -177.1 | 51.9 | 0 | 0 | 0 | 0 | 113 | L881 | L881-S883 PolarHBondContact O-N 2.94Š| ||
| 884 | G | 82.6 | Confident | 67.7 | Low | 15 Ų | 15 | 71.3 Ų | 71.3 | 16% | 0.155 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -81.9 | 175.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L886 A887 I888 E934 | G884-L886 VanDerWaalsContact C-N 3.32Å; G884-L886 PolarHBondContact O-N 2.92Å; G884-A887 PolarHBondContact O-N 2.79Å; G884-I888 WeakPolarHBondContact O-CG1 3.18Å; G884-I888 PolarHBondContact O-N 3Å; G884-I888 VanDerWaalsContact O-N 3.08Å; G884-E934 VanDerWaalsContact C-OE1 3.3Å; G884-E934 VanDerWaalsContact CA-CD 3.45Å; G884-E934 WeakPolarHBondContact CA-OE1 3.35Å |
| 885 | P | 85.7 | Confident | 67.1 | Low | 25 Ų | 25 | 72.4 Ų | 72.4 | 16% | 0.162 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -57.9 | -39 | -178.4 | 23.6 | -35.1 | 0 | 0 | 0 | 113.1 | L828 T830 I888 I889 L929 E934 | L828-P885 HydrophobicContact CD2-CB 4.37Å; T830-P885 HydrophobicContact CG2-CB 4.03Å; T830-P885 HydrophobicContact CG2-CG 4.33Å; P885-I888 PolarHBondContact O-N 2.95Å; P885-I889 WeakPolarHBondContact O-CB 3.27Å; P885-I889 WeakPolarHBondContact O-CD1 3.11Å; P885-I889 WeakPolarHBondContact O-CG1 3.41Å; P885-I889 PolarHBondContact O-N 3.19Å; P885-L929 HydrophobicContact CB-CD1 4.43Å; P885-L929 HydrophobicContact CG-CB 4.29Å; P885-E934 VanDerWaalsContact CD-OE2 3.24Å; P885-E934 WeakPolarHBondContact CD-OE2 3.26Å |
| 886 | L | 87.8 | Confident | 66.7 | Low | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -65.2 | -44.8 | -177.8 | -172 | 60.8 | 0 | 0 | 0 | 111.1 | V857 G884 I888 I889 Q890 A925 A926 L929 E934 | V857-L886 HydrophobicContact CB-CD1 4.47Å; V857-L886 WeakPolarHBondContact O-CD1 3.08Å; G884-L886 VanDerWaalsContact C-N 3.32Å; G884-L886 PolarHBondContact O-N 2.92Å; L886-I888 VanDerWaalsContact C-N 3.35Å; L886-I888 PolarHBondContact O-N 3.41Å; L886-I889 PolarHBondContact O-N 3.06Å; L886-Q890 HydrophobicContact CD1-CG 4.21Å; L886-Q890 HydrophobicContact CG-CG 4.49Å; L886-Q890 WeakPolarHBondContact O-CB 3.19Å; L886-Q890 WeakPolarHBondContact O-CG 3.5Å; L886-Q890 PolarHBondContact O-N 3.16Å; L886-A925 HydrophobicContact CD1-CB 3.72Å; L886-A925 HydrophobicContact CD2-CB 3.96Å; L886-A926 HydrophobicContact CD2-CB 4.11Å; L886-L929 HydrophobicContact CB-CD1 3.79Å; L886-L929 HydrophobicContact CD1-CD1 3.77Å; L886-L929 HydrophobicContact CG-CD1 4.36Å; L886-E934 WeakPolarHBondContact CB-OE1 3.25Å; L886-E934 WeakPolarHBondContact CB-OE2 3.06Å; L886-E934 PolarHBondContact N-OE1 3.03Å; L886-E934 PolarHBondContact N-OE2 2.82Å |
| 887 | A | 84.8 | Confident | 66.9 | Low | 17 Ų | 17 | 66.2 Ų | 66.2 | 14% | 0.14 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.3 | -36.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | C882 G884 G891 E934 | C882-A887 HydrophobicContact CB-CB 4.4Å; C882-A887 WeakPolarHBondContact O-CB 3.11Å; G884-A887 PolarHBondContact O-N 2.79Å; A887-G891 WeakPolarHBondContact O-CA 3.43Å; A887-G891 PolarHBondContact O-N 2.99Å; A887-E934 WeakPolarHBondContact CB-OE1 3.46Å; A887-E934 PolarHBondContact N-OE1 3.27Å |
| 888 | I | 85 | Confident | 67.4 | Low | 92 Ų | 92 | 60.3 Ų | 60.3 | 47% | 0.472 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.4 | -46.6 | 174 | -68.4 | 165 | 0 | 0 | 0 | 110.8 | G884 P885 L886 | G884-I888 WeakPolarHBondContact O-CG1 3.18Å; G884-I888 PolarHBondContact O-N 3Å; G884-I888 VanDerWaalsContact O-N 3.08Å; P885-I888 PolarHBondContact O-N 2.95Å; L886-I888 VanDerWaalsContact C-N 3.35Å; L886-I888 PolarHBondContact O-N 3.41Å |
| 889 | I | 86.1 | Confident | 68 | Low | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.9 | -49.3 | -179.8 | -69.2 | 157.6 | 0 | 0 | 0 | 110.9 | V836 A844 V857 K860 P885 L886 L929 | V836-I889 HydrophobicContact CB-CD1 4.48Å; V836-I889 HydrophobicContact CG1-CD1 3.68Å; V836-I889 HydrophobicContact CG1-CG1 4.07Å; V836-I889 HydrophobicContact CG2-CD1 4.28Å; A844-I889 HydrophobicContact CB-CG2 3.3Å; V857-I889 HydrophobicContact CG2-CD1 4.35Å; K860-I889 WeakPolarHBondContact CE-O 3.22Å; K860-I889 PolarHBondContact NZ-O 2.92Å; P885-I889 WeakPolarHBondContact O-CB 3.27Å; P885-I889 WeakPolarHBondContact O-CD1 3.11Å; P885-I889 WeakPolarHBondContact O-CG1 3.41Å; P885-I889 PolarHBondContact O-N 3.19Å; L886-I889 PolarHBondContact O-N 3.06Å; I889-L929 HydrophobicContact CD1-CD1 3.72Å; I889-L929 HydrophobicContact CD1-CD2 3.92Å; I889-L929 HydrophobicContact CD1-CG 4.5Å |
| 890 | Q | 83.3 | Confident | 68.8 | Low | 9 Ų | 9 | 60 Ų | 60 | 4% | 0.042 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -76.7 | -32.7 | -176.3 | -67.6 | -178.9 | -11.6 | 0 | 0 | 112.3 | V857 K860 L886 R892 T893 | V857-Q890 PolarHBondContact O-NE2 3Å; K860-Q890 WeakPolarHBondContact CE-O 3.12Å; L886-Q890 HydrophobicContact CD1-CG 4.21Å; L886-Q890 HydrophobicContact CG-CG 4.49Å; L886-Q890 WeakPolarHBondContact O-CB 3.19Å; L886-Q890 WeakPolarHBondContact O-CG 3.5Å; L886-Q890 PolarHBondContact O-N 3.16Å; Q890-R892 PolarHBondContact O-N 2.96Å; Q890-T893 PolarHBondContact O-OG1 2.81Å |
| 891 | G | 77.3 | Confident | 69.6 | Low | 34 Ų | 34 | 57.3 Ų | 57.3 | 35% | 0.351 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | 61.3 | -130.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112 | A887 T893 S894 | A887-G891 WeakPolarHBondContact O-CA 3.43Å; A887-G891 PolarHBondContact O-N 2.99Å; G891-T893 PolarHBondContact O-N 3.29Å; G891-T893 VanDerWaalsContact O-N 3.14Å; G891-S894 WeakPolarHBondContact O-CB 3.34Å; G891-S894 PolarHBondContact O-N 3.39Å; G891-S894 VanDerWaalsContact O-N 3.14Å |
| 892 | R | 59.9 | Low | 70.5 | Confident | 235 Ų | 235 | 57.4 Ų | 57.4 | 89% | 0.887 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -58.6 | -28.4 | -176.5 | -68 | -175.7 | 178.5 | 179 | -0.4 | 113.5 | Q890 S894 N895 | Q890-R892 PolarHBondContact O-N 2.96Å; R892-S894 PolarHBondContact O-N 3.29Å; R892-N895 PolarHBondContact O-N 3.35Å |
| 893 | T | 59.3 | Low | 71.4 | Confident | 34 Ų | 34 | 58.1 Ų | 58.1 | 21% | 0.209 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -61.4 | -25.6 | 179.3 | -46 | 0 | 0 | 0 | 0 | 113 | A865 Q890 G891 N895 S896 | A865-T893 HydrophobicContact CB-CG2 3.77Å; Q890-T893 PolarHBondContact O-OG1 2.81Å; G891-T893 PolarHBondContact O-N 3.29Å; G891-T893 VanDerWaalsContact O-N 3.14Å; T893-N895 PolarHBondContact O-N 3.4Å; T893-S896 WeakPolarHBondContact O-CB 3.11Å; T893-S896 PolarHBondContact O-N 2.94Å; T893-S896 PolarHBondContact O-OG 2.92Å |
| 894 | S | 60.1 | Low | 71.6 | Confident | 17 Ų | 17 | 62.8 Ų | 62.8 | 12% | 0.119 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -59.8 | -14.4 | 176.1 | -178.4 | 0 | 0 | 0 | 0 | 114.1 | G891 R892 | G891-S894 WeakPolarHBondContact O-CB 3.34Å; G891-S894 PolarHBondContact O-N 3.39Å; G891-S894 VanDerWaalsContact O-N 3.14Å; R892-S894 PolarHBondContact O-N 3.29Å |
| 895 | N | 60.7 | Low | 71.4 | Confident | 73 Ų | 73 | 67.2 Ų | 67.2 | 39% | 0.39 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -105 | -5.6 | 176.7 | -73.9 | -54.3 | 0 | 0 | 0 | 114.2 | R892 T893 G897 R898 | R892-N895 PolarHBondContact O-N 3.35Å; T893-N895 PolarHBondContact O-N 3.4Å; N895-G897 PolarHBondContact O-N 3.45Å; N895-R898 VanDerWaalsContact O-CB 3.3Å; N895-R898 WeakPolarHBondContact O-CB 3.38Å; N895-R898 PolarHBondContact O-N 3.36Å |
| 896 | S | 59.2 | Low | 71.2 | Confident | 36 Ų | 36 | 68.7 Ų | 68.7 | 25% | 0.252 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -58.1 | -51 | -170.4 | -68.7 | 0 | 0 | 0 | 0 | 113 | A865 T893 R898 Q899 A900 | A865-S896 WeakPolarHBondContact O-CB 3.36Å; T893-S896 WeakPolarHBondContact O-CB 3.11Å; T893-S896 PolarHBondContact O-N 2.94Å; T893-S896 PolarHBondContact O-OG 2.92Å; S896-R898 PolarHBondContact O-N 3.4Å; S896-R898 VanDerWaalsContact O-N 3.09Å; S896-Q899 PolarHBondContact O-N 3.06Å; S896-A900 PolarHBondContact O-N 2.86Å |
| 897 | G | 59.1 | Low | 71.2 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -68.6 | -3.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116 | A865 A868 N895 Q899 | A865-G897 PolarHBondContact O-N 3.18Å; A868-G897 WeakPolarHBondContact O-CA 3.46Å; N895-G897 PolarHBondContact O-N 3.45Å; G897-Q899 VanDerWaalsContact C-N 3.32Å |
| 898 | R | 61.6 | Low | 71.2 | Confident | 59 Ų | 59 | 75.7 Ų | 75.7 | 22% | 0.223 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -81.6 | -14.6 | 167.2 | -53.7 | -171.8 | 174.1 | -172.7 | -3.5 | 112.4 | F870 L874 N895 S896 | F870-R898 HydrophobicContact CE2-CG 4.08Å; F870-R898 HydrophobicContact CZ-CG 4.4Å; L874-R898 HydrophobicContact CD1-CB 4.22Å; L874-R898 HydrophobicContact CD1-CG 3.98Å; N895-R898 VanDerWaalsContact O-CB 3.3Å; N895-R898 WeakPolarHBondContact O-CB 3.38Å; N895-R898 PolarHBondContact O-N 3.36Å; S896-R898 PolarHBondContact O-N 3.4Å; S896-R898 VanDerWaalsContact O-N 3.09Å |
| 899 | Q | 57.5 | Low | 71.4 | Confident | 168 Ų | 168 | 74.9 Ų | 74.9 | 79% | 0.785 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -119.1 | 0.2 | -177 | -61.6 | -175.6 | -10.9 | 0 | 0 | 113.1 | S896 G897 | S896-Q899 PolarHBondContact O-N 3.06Å; G897-Q899 VanDerWaalsContact C-N 3.32Å |
| 900 | A | 64.9 | Low | 71.5 | Confident | 15 Ų | 15 | 77.8 Ų | 77.8 | 12% | 0.124 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 139 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A868 D869 S896 | A868-A900 VanDerWaalsContact O-CB 3.24Å; A868-A900 WeakPolarHBondContact O-CB 3.38Å; D869-A900 HydrophobicContact CB-CB 4.31Å; S896-A900 PolarHBondContact O-N 2.86Å |
| 901 | A | 65.3 | Low | 71.7 | Confident | 71 Ų | 71 | 77.7 Ų | 77.7 | 59% | 0.587 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -96 | 157.9 | 170 | 0 | 0 | 0 | 0 | 0 | 110 | L903 Q911 | A901-L903 PolarHBondContact O-N 3.28Å; A901-Q911 PolarHBondContact O-NE2 3.48Å |
| 902 | R | 74.1 | Confident | 72.2 | Confident | 159 Ų | 159 | 78 Ų | 78 | 60% | 0.6 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 125.3 | 170 | -159.6 | -178.2 | -151.6 | -159.4 | 3.3 | 109.3 | F904 H908 | R902-F904 PolarHBondContact O-N 2.98Å; R902-H908 PolarHBondContact NE-CD2 2.98Å; R902-H908 PolarHBondContact NH2-CD2 3.34Å; R902-H908 PolarHBondContact NH2-NE2 3.27Å |
| 903 | L | 77.1 | Confident | 73.7 | Confident | 50 Ų | 50 | 72.6 Ų | 72.6 | 26% | 0.262 | 39% | 0.386 | S | S | . | . | trans | -77.9 | 111.4 | -174.7 | -62.9 | 171.3 | 0 | 0 | 0 | 110.4 | C867 A901 S905 V906 Q911 | C867-L903 HydrophobicContact CB-CD1 3.85Å; A901-L903 PolarHBondContact O-N 3.28Å; L903-S905 PolarHBondContact O-N 3.28Å; L903-V906 HydrophobicContact CB-CG2 3.65Å; L903-V906 HydrophobicContact CD1-CG2 3.83Å; L903-V906 HydrophobicContact CG-CG2 4.41Å; L903-Q911 HydrophobicContact CD1-CB 4.43Å; L903-Q911 HydrophobicContact CD1-CG 4.19Å | ||
| 904 | F | 72.2 | Confident | 75.1 | Confident | 208 Ų | 208 | 72.1 Ų | 72.1 | 91% | 0.912 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -15.6 | 176.4 | -68 | -81.9 | 0 | 0 | 0 | 113.8 | R902 | R902-F904 PolarHBondContact O-N 2.98Š|
| 905 | S | 78.3 | Confident | 76.6 | Confident | 108 Ų | 108 | 71.4 Ų | 71.4 | 76% | 0.755 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -11.2 | -175.3 | 50.2 | 0 | 0 | 0 | 0 | 114.9 | L903 | L903-S905 PolarHBondContact O-N 3.28Š|
| 906 | V | 82.5 | Confident | 78.1 | Confident | 56 Ų | 56 | 68.3 Ų | 68.3 | 34% | 0.339 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -136.6 | 153.7 | -177.1 | -64.4 | 0 | 0 | 0 | 0 | 112.1 | L903 V910 | L903-V906 HydrophobicContact CB-CG2 3.65Å; L903-V906 HydrophobicContact CD1-CG2 3.83Å; L903-V906 HydrophobicContact CG-CG2 4.41Å; V906-V910 HydrophobicContact CB-CB 4.32Å; V906-V910 HydrophobicContact CG2-CB 4.43Å |
| 907 | P | 86.9 | Confident | 79.6 | Confident | 88 Ų | 88 | 68.2 Ų | 68.2 | 57% | 0.571 | 36% | 0.362 | S | S | * | . | trans | -59.7 | 145.3 | 171.4 | -23.4 | 34.7 | 0 | 0 | 0 | 112.2 | V909 V910 | P907-V909 HydrophobicContact CB-CG1 4.12Å; P907-V909 PolarHBondContact O-N 2.92Å; P907-V909 VanDerWaalsContact O-N 3.11Å; P907-V910 HydrophobicContact CB-CG2 4.41Å; P907-V910 WeakPolarHBondContact O-CB 3.47Å; P907-V910 PolarHBondContact O-N 3.49Å | ||
| 908 | H | 85 | Confident | 81.1 | Confident | 77 Ų | 77 | 68.7 Ų | 68.7 | 36% | 0.356 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -53.5 | -36.4 | -177.5 | -166.9 | -106.9 | 0 | 0 | 0 | 114 | R902 V910 Q911 Q912 | R902-H908 PolarHBondContact NE-CD2 2.98Å; R902-H908 PolarHBondContact NH2-CD2 3.34Å; R902-H908 PolarHBondContact NH2-NE2 3.27Å; H908-V910 VanDerWaalsContact C-N 3.27Å; H908-V910 PolarHBondContact O-N 3.21Å; H908-Q911 CarbonylContact O-C 3.23Å; H908-Q911 PolarHBondContact O-N 3.48Å; H908-Q912 PolarHBondContact ND1-OE1 2.95Å; H908-Q912 WeakPolarHBondContact O-CG 3.47Å; H908-Q912 PolarHBondContact O-N 3.49Å; H908-Q912 PolarHBondContact O-OE1 3.46Å |
| 909 | V | 88.5 | Confident | 82.5 | Confident | 75 Ų | 75 | 65.9 Ų | 65.9 | 46% | 0.455 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59 | -35.7 | 177.2 | 62.5 | 0 | 0 | 0 | 0 | 112.7 | P907 Q911 Q912 E913 | P907-V909 HydrophobicContact CB-CG1 4.12Å; P907-V909 PolarHBondContact O-N 2.92Å; P907-V909 VanDerWaalsContact O-N 3.11Å; V909-Q911 VanDerWaalsContact C-N 3.34Å; V909-Q911 PolarHBondContact O-N 2.9Å; V909-Q912 PolarHBondContact O-N 3.02Å; V909-E913 HydrophobicContact CG2-CG 4.49Å; V909-E913 WeakPolarHBondContact O-CG 3.43Å; V909-E913 PolarHBondContact O-N 3.11Å |
| 910 | V | 87.8 | Confident | 84.3 | Confident | 61 Ų | 61 | 60.9 Ų | 60.9 | 37% | 0.37 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.6 | -36.8 | 176.5 | -174.5 | 0 | 0 | 0 | 0 | 110.6 | V906 P907 H908 T914 | V906-V910 HydrophobicContact CB-CB 4.32Å; V906-V910 HydrophobicContact CG2-CB 4.43Å; P907-V910 HydrophobicContact CB-CG2 4.41Å; P907-V910 WeakPolarHBondContact O-CB 3.47Å; P907-V910 PolarHBondContact O-N 3.49Å; H908-V910 VanDerWaalsContact C-N 3.27Å; H908-V910 PolarHBondContact O-N 3.21Å; V910-T914 WeakPolarHBondContact O-CB 3.35Å; V910-T914 PolarHBondContact O-N 3.17Å; V910-T914 PolarHBondContact O-OG1 2.75Å |
| 911 | Q | 87.6 | Confident | 85.6 | Confident | 7 Ų | 7 | 64.4 Ų | 64.4 | 3% | 0.033 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -70.9 | -34.6 | 174 | -169.5 | 165.4 | 17.7 | 0 | 0 | 111.5 | C867 A901 L903 H908 V909 T915 | C867-Q911 WeakPolarHBondContact O-CG 3.43Å; C867-Q911 PolarHBondContact O-NE2 3.09Å; A901-Q911 PolarHBondContact O-NE2 3.48Å; L903-Q911 HydrophobicContact CD1-CB 4.43Å; L903-Q911 HydrophobicContact CD1-CG 4.19Å; H908-Q911 CarbonylContact O-C 3.23Å; H908-Q911 PolarHBondContact O-N 3.48Å; V909-Q911 VanDerWaalsContact C-N 3.34Å; V909-Q911 PolarHBondContact O-N 2.9Å; Q911-T915 WeakPolarHBondContact O-CB 3.2Å; Q911-T915 PolarHBondContact O-N 3.31Å; Q911-T915 PolarHBondContact O-OG1 2.9Å |
| 912 | Q | 89.6 | Confident | 86.8 | Confident | 42 Ų | 42 | 61.3 Ų | 61.3 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.9 | -48.8 | 173.7 | -71.2 | 166.7 | -67.3 | 0 | 0 | 111.6 | H908 V909 T914 T915 L916 Y945 E949 | H908-Q912 PolarHBondContact ND1-OE1 2.95Å; H908-Q912 WeakPolarHBondContact O-CG 3.47Å; H908-Q912 PolarHBondContact O-N 3.49Å; H908-Q912 PolarHBondContact O-OE1 3.46Å; V909-Q912 PolarHBondContact O-N 3.02Å; Q912-T914 PolarHBondContact O-N 2.93Å; Q912-T915 PolarHBondContact O-N 2.88Å; Q912-L916 VanDerWaalsContact O-CB 3.27Å; Q912-L916 WeakPolarHBondContact O-CB 3.45Å; Q912-L916 PolarHBondContact O-N 3.47Å; Q912-Y945 WeakPolarHBondContact CA-OH 3.32Å; Q912-E949 PolarHBondContact NE2-OE2 2.92Å |
| 913 | E | 90.1 | Very high | 87.8 | Confident | 120 Ų | 120 | 54.6 Ų | 54.6 | 56% | 0.561 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -63.8 | -40.2 | 177 | -71.2 | 176.5 | 161.5 | 0 | 0 | 112.1 | V909 L916 A917 | V909-E913 HydrophobicContact CG2-CG 4.49Å; V909-E913 WeakPolarHBondContact O-CG 3.43Å; V909-E913 PolarHBondContact O-N 3.11Å; E913-L916 PolarHBondContact O-N 3.34Å; E913-A917 WeakPolarHBondContact O-CB 3.42Å; E913-A917 PolarHBondContact O-N 2.94Å |
| 914 | T | 89.4 | Confident | 88.6 | Confident | 25 Ų | 25 | 54.5 Ų | 54.5 | 15% | 0.153 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.3 | -45.8 | 172.6 | -66.8 | 0 | 0 | 0 | 0 | 112.1 | L864 C867 V910 Q912 Y918 | L864-T914 HydrophobicContact CB-CG2 4.47Å; L864-T914 HydrophobicContact CD2-CG2 3.69Å; C867-T914 HydrophobicContact CB-CG2 3.57Å; V910-T914 WeakPolarHBondContact O-CB 3.35Å; V910-T914 PolarHBondContact O-N 3.17Å; V910-T914 PolarHBondContact O-OG1 2.75Å; Q912-T914 PolarHBondContact O-N 2.93Å; T914-Y918 WeakPolarHBondContact O-CB 3.32Å; T914-Y918 PolarHBondContact O-N 2.9Å |
| 915 | T | 90.4 | Very high | 89.6 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66 | -42.3 | 179 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | A868 D869 F870 Q911 Q912 Y918 L919 Y945 | A868-T915 WeakPolarHBondContact CA-OG1 3.37Å; A868-T915 HydrophobicContact CB-CG2 4.19Å; D869-T915 PolarHBondContact N-OG1 3.1Å; D869-T915 WeakPolarHBondContact O-CG2 3.47Å; F870-T915 HydrophobicContact CB-CG2 3.96Å; F870-T915 HydrophobicContact CD1-CG2 4.24Å; Q911-T915 WeakPolarHBondContact O-CB 3.2Å; Q911-T915 PolarHBondContact O-N 3.31Å; Q911-T915 PolarHBondContact O-OG1 2.9Å; Q912-T915 PolarHBondContact O-N 2.88Å; T915-Y918 PolarHBondContact O-N 3.41Å; T915-L919 HydrophobicContact CG2-CD1 4.07Å; T915-L919 WeakPolarHBondContact O-CG 3.45Å; T915-L919 PolarHBondContact O-N 3.39Å; T915-Y945 WeakPolarHBondContact CB-OH 3.46Å; T915-Y945 HydrophobicContact CG2-CD1 4.41Å; T915-Y945 HydrophobicContact CG2-CD2 4.11Å; T915-Y945 HydrophobicContact CG2-CE1 3.92Å; T915-Y945 HydrophobicContact CG2-CE2 3.6Å; T915-Y945 VanDerWaalsContact CG2-CZ 3.5Å |
| 916 | L | 92.6 | Very high | 90.2 | Very high | 9 Ų | 9 | 39.8 Ų | 39.8 | 5% | 0.047 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.1 | -49.6 | 177.9 | -177 | 157.4 | 0 | 0 | 0 | 110.9 | Q912 E913 Y918 L919 E920 Y945 L946 F951 | Q912-L916 VanDerWaalsContact O-CB 3.27Å; Q912-L916 WeakPolarHBondContact O-CB 3.45Å; Q912-L916 PolarHBondContact O-N 3.47Å; E913-L916 PolarHBondContact O-N 3.34Å; L916-Y918 PolarHBondContact O-N 3.08Å; L916-L919 PolarHBondContact O-N 2.82Å; L916-E920 VanDerWaalsContact CD2-CD 3.41Å; L916-E920 HydrophobicContact CD2-CG 4.28Å; L916-E920 VanDerWaalsContact CD2-OE1 3.24Å; L916-E920 WeakPolarHBondContact CD2-OE1 3.28Å; L916-E920 WeakPolarHBondContact CD2-OE2 3.3Å; L916-E920 WeakPolarHBondContact O-CG 3.36Å; L916-E920 PolarHBondContact O-N 2.92Å; L916-Y945 HydrophobicContact CB-CE1 4.2Å; L916-L946 HydrophobicContact CD1-CD2 4.43Å; L916-F951 HydrophobicContact CD1-CD1 4.27Å; L916-F951 HydrophobicContact CD1-CD2 3.99Å; L916-F951 HydrophobicContact CD1-CE1 4.08Å; L916-F951 HydrophobicContact CD1-CE2 3.78Å; L916-F951 HydrophobicContact CD1-CG 4.24Å; L916-F951 HydrophobicContact CD1-CZ 3.83Å |
| 917 | A | 91.6 | Very high | 90.8 | Very high | 33 Ų | 33 | 40.6 Ų | 40.6 | 27% | 0.273 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.4 | -40.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E913 E920 N921 | E913-A917 WeakPolarHBondContact O-CB 3.42Å; E913-A917 PolarHBondContact O-N 2.94Å; A917-E920 PolarHBondContact O-N 3.08Å; A917-N921 WeakPolarHBondContact O-CB 3.32Å; A917-N921 PolarHBondContact O-N 3.3Å; A917-N921 PolarHBondContact O-ND2 3.23Å |
| 918 | Y | 90.7 | Very high | 91.1 | Very high | 11 Ų | 11 | 37.4 Ų | 37.4 | 4% | 0.043 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.7 | -47.3 | 173.1 | 174.7 | -98.3 | 0 | 0 | 0 | 111.9 | A865 A868 F870 T914 T915 L916 N921 Q922 W938 | A865-Y918 HydrophobicContact CB-CD2 3.9Å; A865-Y918 HydrophobicContact CB-CE2 3.5Å; A868-Y918 HydrophobicContact CB-CD1 3.85Å; A868-Y918 HydrophobicContact CB-CG 3.89Å; F870-Y918 HydrophobicContact CD1-CD1 4.3Å; F870-Y918 HydrophobicContact CD1-CE1 4.36Å; F870-Y918 AromaticContact CE1-CD1 3.84Å; F870-Y918 HydrophobicContact CE1-CD1 3.84Å; F870-Y918 AromaticContact CE1-CE1 3.49Å; F870-Y918 HydrophobicContact CE1-CE1 3.49Å; F870-Y918 VanDerWaalsContact CE1-CE1 3.49Å; F870-Y918 HydrophobicContact CZ-CE1 4.09Å; T914-Y918 WeakPolarHBondContact O-CB 3.32Å; T914-Y918 PolarHBondContact O-N 2.9Å; T915-Y918 PolarHBondContact O-N 3.41Å; L916-Y918 PolarHBondContact O-N 3.08Å; Y918-N921 WeakPolarHBondContact O-CB 3.48Å; Y918-N921 PolarHBondContact O-N 2.89Å; Y918-Q922 HydrophobicContact CD1-CG 4.26Å; Y918-Q922 HydrophobicContact CE1-CG 3.74Å; Y918-Q922 HydrophobicContact CE2-CG 4.05Å; Y918-Q922 WeakPolarHBondContact O-CG 3.29Å; Y918-Q922 PolarHBondContact O-N 3.03Å; Y918-W938 HydrophobicContact CE1-CH2 4.4Å; Y918-W938 HydrophobicContact CE1-CZ3 4.14Å |
| 919 | L | 91.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.8 | -38.3 | -179.7 | -69.7 | 170.6 | 0 | 0 | 0 | 112.5 | F870 T915 L916 Q922 V923 W938 L941 Y942 Y945 | F870-L919 HydrophobicContact CB-CD1 4.1Å; F870-L919 HydrophobicContact CD1-CD2 4.13Å; F870-L919 HydrophobicContact CD1-CG 4.48Å; F870-L919 HydrophobicContact CG-CD2 4.27Å; T915-L919 HydrophobicContact CG2-CD1 4.07Å; T915-L919 WeakPolarHBondContact O-CG 3.45Å; T915-L919 PolarHBondContact O-N 3.39Å; L916-L919 PolarHBondContact O-N 2.82Å; L919-Q922 PolarHBondContact O-N 3.47Å; L919-V923 WeakPolarHBondContact O-CG2 3.43Å; L919-V923 PolarHBondContact O-N 3.14Å; L919-V923 VanDerWaalsContact O-N 3.08Å; L919-W938 HydrophobicContact CD2-CE3 4.03Å; L919-W938 HydrophobicContact CD2-CZ3 4.09Å; L919-L941 HydrophobicContact CD2-CD2 4.16Å; L919-L941 HydrophobicContact CD2-CG 4.21Å; L919-Y942 HydrophobicContact CB-CD2 3.76Å; L919-Y942 HydrophobicContact CB-CG 4.35Å; L919-Y945 HydrophobicContact CD1-CD1 3.9Å; L919-Y945 HydrophobicContact CD1-CD2 4.32Å; L919-Y945 HydrophobicContact CD1-CG 3.68Å |
| 920 | E | 94.3 | Very high | 91.5 | Very high | 63 Ų | 63 | 33 Ų | 33 | 29% | 0.294 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.5 | -44.8 | 171.9 | -73.4 | 177.1 | 176.7 | 0 | 0 | 111 | L916 A917 Q922 V923 A924 Y942 R954 | L916-E920 VanDerWaalsContact CD2-CD 3.41Å; L916-E920 HydrophobicContact CD2-CG 4.28Å; L916-E920 VanDerWaalsContact CD2-OE1 3.24Å; L916-E920 WeakPolarHBondContact CD2-OE1 3.28Å; L916-E920 WeakPolarHBondContact CD2-OE2 3.3Å; L916-E920 WeakPolarHBondContact O-CG 3.36Å; L916-E920 PolarHBondContact O-N 2.92Å; A917-E920 PolarHBondContact O-N 3.08Å; E920-Q922 PolarHBondContact O-N 3.46Å; E920-V923 PolarHBondContact O-N 3.21Å; E920-A924 WeakPolarHBondContact O-CB 3.32Å; E920-A924 PolarHBondContact O-N 3.14Å; E920-Y942 HydrophobicContact CG-CD2 4.29Å; E920-Y942 HydrophobicContact CG-CE1 4.32Å; E920-Y942 HydrophobicContact CG-CE2 3.44Å; E920-Y942 VanDerWaalsContact CG-CE2 3.44Å; E920-Y942 VanDerWaalsContact CG-CZ 3.47Å; E920-Y942 WeakPolarHBondContact CG-OH 3.47Å; E920-Y942 PolarHBondContact OE1-OH 2.94Å; E920-R954 WeakPolarHBondContact OE1-CD 3.45Å; E920-R954 IonicContact OE1-CZ 2.81Å; E920-R954 IonicContact OE1-NE 3.77Å; E920-R954 PolarHBondContact OE1-NE 3.35Å; E920-R954 IonicContact OE1-NH2 3.47Å |
| 921 | N | 92.3 | Very high | 91.7 | Very high | 88 Ų | 88 | 30.6 Ų | 30.6 | 47% | 0.471 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -60.7 | -42.3 | 175.1 | -74.8 | -15.3 | 0 | 0 | 0 | 112.5 | A917 Y918 A924 A925 | A917-N921 WeakPolarHBondContact O-CB 3.32Å; A917-N921 PolarHBondContact O-N 3.3Å; A917-N921 PolarHBondContact O-ND2 3.23Å; Y918-N921 WeakPolarHBondContact O-CB 3.48Å; Y918-N921 PolarHBondContact O-N 2.89Å; N921-A924 PolarHBondContact O-N 3.02Å; N921-A925 WeakPolarHBondContact O-CB 3.33Å; N921-A925 PolarHBondContact O-N 2.97Å |
| 922 | Q | 90.8 | Very high | 91.9 | Very high | 7 Ų | 7 | 31.5 Ų | 31.5 | 3% | 0.033 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.8 | -40.3 | 177.9 | -67.2 | -62.7 | 94.8 | 0 | 0 | 112.6 | Y918 L919 E920 A926 W938 | Y918-Q922 HydrophobicContact CD1-CG 4.26Å; Y918-Q922 HydrophobicContact CE1-CG 3.74Å; Y918-Q922 HydrophobicContact CE2-CG 4.05Å; Y918-Q922 WeakPolarHBondContact O-CG 3.29Å; Y918-Q922 PolarHBondContact O-N 3.03Å; L919-Q922 PolarHBondContact O-N 3.47Å; E920-Q922 PolarHBondContact O-N 3.46Å; Q922-A926 WeakPolarHBondContact O-CB 3.4Å; Q922-A926 PolarHBondContact O-N 3.34Å; Q922-W938 HydrophobicContact CB-CB 4.17Å; Q922-W938 HydrophobicContact CB-CD2 3.51Å; Q922-W938 HydrophobicContact CB-CE3 3.68Å; Q922-W938 HydrophobicContact CB-CG 3.71Å; Q922-W938 HydrophobicContact CB-CZ3 4.29Å; Q922-W938 HydrophobicContact CG-CD2 4Å; Q922-W938 HydrophobicContact CG-CE3 3.88Å; Q922-W938 HydrophobicContact CG-CH2 4.17Å; Q922-W938 HydrophobicContact CG-CZ2 4.26Å; Q922-W938 HydrophobicContact CG-CZ3 3.96Å |
| 923 | V | 93.9 | Very high | 91.9 | Very high | 18 Ų | 18 | 36.5 Ų | 36.5 | 11% | 0.109 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.9 | -46.7 | 175.1 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | L919 E920 A926 L927 Y935 W938 Y942 | L919-V923 WeakPolarHBondContact O-CG2 3.43Å; L919-V923 PolarHBondContact O-N 3.14Å; L919-V923 VanDerWaalsContact O-N 3.08Å; E920-V923 PolarHBondContact O-N 3.21Å; V923-A926 PolarHBondContact O-N 3.25Å; V923-L927 WeakPolarHBondContact O-CB 3.49Å; V923-L927 PolarHBondContact O-N 2.86Å; V923-Y935 HydrophobicContact CG1-CD2 4.06Å; V923-Y935 HydrophobicContact CG1-CE2 3.64Å; V923-W938 HydrophobicContact CG2-CB 3.8Å; V923-Y942 HydrophobicContact CG2-CD1 4.4Å; V923-Y942 HydrophobicContact CG2-CG 4.48Å |
| 924 | A | 94.6 | Very high | 91.9 | Very high | 47 Ų | 47 | 30.9 Ų | 30.9 | 39% | 0.388 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -64.6 | -40.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E920 N921 L927 T928 | E920-A924 WeakPolarHBondContact O-CB 3.32Å; E920-A924 PolarHBondContact O-N 3.14Å; N921-A924 PolarHBondContact O-N 3.02Å; A924-L927 PolarHBondContact O-N 2.82Å; A924-T928 WeakPolarHBondContact O-CB 3.35Å; A924-T928 PolarHBondContact O-N 3.37Å; A924-T928 PolarHBondContact O-OG1 3.01Å |
| 925 | A | 92.5 | Very high | 92 | Very high | 7 Ų | 7 | 30.5 Ų | 30.5 | 6% | 0.058 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.4 | -43.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | V857 L886 N921 T928 L929 | V857-A925 HydrophobicContact CB-CB 3.95Å; V857-A925 HydrophobicContact CG1-CB 4.03Å; L886-A925 HydrophobicContact CD1-CB 3.72Å; L886-A925 HydrophobicContact CD2-CB 3.96Å; N921-A925 WeakPolarHBondContact O-CB 3.33Å; N921-A925 PolarHBondContact O-N 2.97Å; A925-T928 PolarHBondContact O-N 2.98Å; A925-L929 WeakPolarHBondContact O-CB 3.42Å; A925-L929 WeakPolarHBondContact O-CG 3.41Å; A925-L929 PolarHBondContact O-N 3.42Å |
| 926 | A | 92.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.1 | -38.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L886 Q922 V923 Q930 S931 E934 | L886-A926 HydrophobicContact CD2-CB 4.11Å; Q922-A926 WeakPolarHBondContact O-CB 3.4Å; Q922-A926 PolarHBondContact O-N 3.34Å; V923-A926 PolarHBondContact O-N 3.25Å; A926-Q930 PolarHBondContact O-N 3.09Å; A926-S931 PolarHBondContact O-N 2.91Å; A926-E934 HydrophobicContact CB-CB 3.92Å |
| 927 | L | 93.9 | Very high | 92 | Very high | 73 Ų | 73 | 36.5 Ų | 36.5 | 38% | 0.382 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -59.9 | -46.6 | 171.2 | 176.2 | 57.9 | 0 | 0 | 0 | 111.6 | V923 A924 Q930 Y935 V978 V979 | V923-L927 WeakPolarHBondContact O-CB 3.49Å; V923-L927 PolarHBondContact O-N 2.86Å; A924-L927 PolarHBondContact O-N 2.82Å; L927-Q930 WeakPolarHBondContact O-CA 3.43Å; L927-Q930 PolarHBondContact O-N 3Å; L927-Y935 HydrophobicContact CB-CD2 3.77Å; L927-Y935 HydrophobicContact CB-CE2 3.96Å; L927-Y935 HydrophobicContact CD1-CE2 4.36Å; L927-Y935 HydrophobicContact CD2-CE2 4.38Å; L927-Y935 HydrophobicContact CG-CE2 4.47Å; L927-V978 HydrophobicContact CD1-CG2 3.89Å; L927-V979 HydrophobicContact CD1-CG2 3.47Å; L927-V979 VanDerWaalsContact CD1-CG2 3.47Å |
| 928 | T | 93.7 | Very high | 92 | Very high | 21 Ų | 21 | 35.2 Ų | 35.2 | 13% | 0.129 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.8 | -35.7 | -177 | -54.5 | 0 | 0 | 0 | 0 | 112.6 | N848 N855 A924 A925 Q930 | N848-T928 HydrophobicContact CB-CG2 4Å; N855-T928 HydrophobicContact CB-CG2 3.82Å; A924-T928 WeakPolarHBondContact O-CB 3.35Å; A924-T928 PolarHBondContact O-N 3.37Å; A924-T928 PolarHBondContact O-OG1 3.01Å; A925-T928 PolarHBondContact O-N 2.98Å; T928-Q930 PolarHBondContact O-N 3.18Å |
| 929 | L | 91.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -4.4 | 171.3 | -72 | 166.8 | 0 | 0 | 0 | 113.8 | I834 V836 C846 V857 P885 L886 I889 A925 S931 | I834-L929 HydrophobicContact CG2-CD2 4.42Å; V836-L929 HydrophobicContact CG2-CD2 3.61Å; C846-L929 HydrophobicContact CB-CD2 3.74Å; V857-L929 HydrophobicContact CB-CD1 4.44Å; V857-L929 HydrophobicContact CG1-CG 4.4Å; V857-L929 HydrophobicContact CG2-CD1 4.4Å; V857-L929 HydrophobicContact CG2-CD2 4.45Å; P885-L929 HydrophobicContact CB-CD1 4.43Å; P885-L929 HydrophobicContact CG-CB 4.29Å; L886-L929 HydrophobicContact CB-CD1 3.79Å; L886-L929 HydrophobicContact CD1-CD1 3.77Å; L886-L929 HydrophobicContact CG-CD1 4.36Å; I889-L929 HydrophobicContact CD1-CD1 3.72Å; I889-L929 HydrophobicContact CD1-CD2 3.92Å; I889-L929 HydrophobicContact CD1-CG 4.5Å; A925-L929 WeakPolarHBondContact O-CB 3.42Å; A925-L929 WeakPolarHBondContact O-CG 3.41Å; A925-L929 PolarHBondContact O-N 3.42Å; L929-S931 PolarHBondContact O-N 3Å |
| 930 | Q | 91.3 | Very high | 92.1 | Very high | 58 Ų | 58 | 36.3 Ų | 36.3 | 27% | 0.271 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 36.3 | -172.2 | -55.7 | -172.6 | 3 | 0 | 0 | 112.9 | H832 I834 A926 L927 T928 S932 V979 | H832-Q930 HydrophobicContact CB-CB 4.22Å; H832-Q930 PolarHBondContact CD2-O 3.43Å; H832-Q930 PolarHBondContact NE2-O 2.85Å; I834-Q930 HydrophobicContact CD1-CG 4.18Å; I834-Q930 HydrophobicContact CG1-CG 4.31Å; A926-Q930 PolarHBondContact O-N 3.09Å; L927-Q930 WeakPolarHBondContact O-CA 3.43Å; L927-Q930 PolarHBondContact O-N 3Å; T928-Q930 PolarHBondContact O-N 3.18Å; Q930-S932 PolarHBondContact O-N 3Å; Q930-V979 HydrophobicContact CB-CG1 4.2Å; Q930-V979 WeakPolarHBondContact O-CG1 3.37Å |
| 931 | S | 91.6 | Very high | 92 | Very high | 11 Ų | 11 | 33.5 Ų | 33.5 | 8% | 0.077 | 17% | 0.173 | C | C | . | . | trans | -91.7 | 93.6 | -179 | -171.6 | 0 | 0 | 0 | 0 | 111.2 | A926 L929 H933 E934 Y935 | A926-S931 PolarHBondContact O-N 2.91Å; L929-S931 PolarHBondContact O-N 3Å; S931-H933 PolarHBondContact O-N 3.2Å; S931-E934 WeakPolarHBondContact CB-OE2 3.39Å; S931-E934 PolarHBondContact O-N 2.93Å; S931-E934 WeakPolarHBondContact OG-CB 3.4Å; S931-E934 WeakPolarHBondContact OG-CG 3.23Å; S931-E934 PolarHBondContact OG-OE2 2.87Å; S931-Y935 VanDerWaalsContact O-CB 3.27Å; S931-Y935 WeakPolarHBondContact O-CB 3.14Å; S931-Y935 PolarHBondContact O-N 3.24Å | ||
| 932 | S | 90.7 | Very high | 92.1 | Very high | 26 Ų | 26 | 30.3 Ų | 30.3 | 18% | 0.182 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.5 | -47.5 | -172.5 | 59.7 | 0 | 0 | 0 | 0 | 113.4 | Q930 Y935 R936 V979 L981 | Q930-S932 PolarHBondContact O-N 3Å; S932-Y935 PolarHBondContact O-N 2.95Å; S932-R936 WeakPolarHBondContact O-CB 3.23Å; S932-R936 PolarHBondContact O-N 2.96Å; S932-V979 VanDerWaalsContact CB-O 3.27Å; S932-V979 WeakPolarHBondContact CB-O 3.03Å; S932-L981 WeakPolarHBondContact O-CD1 3.49Å |
| 933 | H | 89.4 | Confident | 92.2 | Very high | 147 Ų | 147 | 30 Ų | 30 | 68% | 0.681 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -68.2 | -40.4 | -178.8 | -66.6 | -87.4 | 0 | 0 | 0 | 112.3 | S931 H937 | S931-H933 PolarHBondContact O-N 3.2Å; H933-H937 WeakPolarHBondContact O-CB 3.44Å; H933-H937 PolarHBondContact O-N 2.94Å |
| 934 | E | 90.2 | Very high | 92.1 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -71.1 | -39.2 | 176.9 | -64.4 | 177.8 | 126.6 | 0 | 0 | 111 | G884 P885 L886 A887 A926 S931 R936 H937 W938 | G884-E934 VanDerWaalsContact C-OE1 3.3Å; G884-E934 VanDerWaalsContact CA-CD 3.45Å; G884-E934 WeakPolarHBondContact CA-OE1 3.35Å; P885-E934 VanDerWaalsContact CD-OE2 3.24Å; P885-E934 WeakPolarHBondContact CD-OE2 3.26Å; L886-E934 WeakPolarHBondContact CB-OE1 3.25Å; L886-E934 WeakPolarHBondContact CB-OE2 3.06Å; L886-E934 PolarHBondContact N-OE1 3.03Å; L886-E934 PolarHBondContact N-OE2 2.82Å; A887-E934 WeakPolarHBondContact CB-OE1 3.46Å; A887-E934 PolarHBondContact N-OE1 3.27Å; A926-E934 HydrophobicContact CB-CB 3.92Å; S931-E934 WeakPolarHBondContact CB-OE2 3.39Å; S931-E934 PolarHBondContact O-N 2.93Å; S931-E934 WeakPolarHBondContact OG-CB 3.4Å; S931-E934 WeakPolarHBondContact OG-CG 3.23Å; S931-E934 PolarHBondContact OG-OE2 2.87Å; E934-R936 PolarHBondContact O-N 3.22Å; E934-H937 PolarHBondContact O-N 2.88Å; E934-W938 PolarHBondContact O-N 2.86Å |
| 935 | Y | 93 | Very high | 92.1 | Very high | 16 Ų | 16 | 30.3 Ų | 30.3 | 6% | 0.063 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.5 | -47.3 | 175.4 | 176.1 | -99.8 | 0 | 0 | 0 | 111 | V923 L927 S931 S932 H937 L939 V978 V979 L986 | V923-Y935 HydrophobicContact CG1-CD2 4.06Å; V923-Y935 HydrophobicContact CG1-CE2 3.64Å; L927-Y935 HydrophobicContact CB-CD2 3.77Å; L927-Y935 HydrophobicContact CB-CE2 3.96Å; L927-Y935 HydrophobicContact CD1-CE2 4.36Å; L927-Y935 HydrophobicContact CD2-CE2 4.38Å; L927-Y935 HydrophobicContact CG-CE2 4.47Å; S931-Y935 VanDerWaalsContact O-CB 3.27Å; S931-Y935 WeakPolarHBondContact O-CB 3.14Å; S931-Y935 PolarHBondContact O-N 3.24Å; S932-Y935 PolarHBondContact O-N 2.95Å; Y935-H937 PolarHBondContact O-N 3.46Å; Y935-L939 HydrophobicContact CE1-CD2 3.89Å; Y935-L939 WeakPolarHBondContact O-CB 3.15Å; Y935-L939 PolarHBondContact O-N 3.22Å; Y935-V978 HydrophobicContact CE1-CB 4.38Å; Y935-V978 HydrophobicContact CE1-CG1 3.67Å; Y935-V978 HydrophobicContact CE1-CG2 3.77Å; Y935-V979 HydrophobicContact CD1-CG2 4.42Å; Y935-V979 HydrophobicContact CG-CG2 4.28Å; Y935-L986 HydrophobicContact CE1-CD1 4.08Å |
| 936 | R | 92.5 | Very high | 92.2 | Very high | 97 Ų | 97 | 30 Ų | 30 | 37% | 0.366 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -60.1 | -44.3 | 173.8 | 179.1 | 171.9 | 171.3 | -153.2 | -4.1 | 112.2 | S932 E934 L940 L981 L986 E989 | S932-R936 WeakPolarHBondContact O-CB 3.23Å; S932-R936 PolarHBondContact O-N 2.96Å; E934-R936 PolarHBondContact O-N 3.22Å; R936-L940 HydrophobicContact CG-CD1 3.91Å; R936-L940 WeakPolarHBondContact O-CB 3.36Å; R936-L940 WeakPolarHBondContact O-CD1 3.23Å; R936-L940 VanDerWaalsContact O-CG 3.24Å; R936-L940 WeakPolarHBondContact O-CG 3.08Å; R936-L940 PolarHBondContact O-N 2.74Å; R936-L940 VanDerWaalsContact O-N 3.09Å; R936-L981 HydrophobicContact CB-CD1 3.79Å; R936-L981 HydrophobicContact CG-CD1 4.48Å; R936-L986 HydrophobicContact CB-CD2 4.11Å; R936-L986 HydrophobicContact CG-CD2 3.73Å; R936-E989 IonicContact CZ-OE1 2.98Å; R936-E989 IonicContact CZ-OE2 3.57Å; R936-E989 IonicContact NE-OE1 3.87Å; R936-E989 PolarHBondContact NE-OE1 2.87Å; R936-E989 VanDerWaalsContact NE-OE1 3.15Å; R936-E989 IonicContact NE-OE2 2.97Å; R936-E989 PolarHBondContact NE-OE2 2.99Å; R936-E989 IonicContact NH2-OE1 3.41Å; R936-E989 PolarHBondContact NH2-OE1 2.99Å; R936-E989 IonicContact NH2-OE2 2.75Å; R936-E989 PolarHBondContact NH2-OE2 2.85Å |
| 937 | H | 89.4 | Confident | 92.2 | Very high | 39 Ų | 39 | 30.1 Ų | 30.1 | 18% | 0.181 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.3 | -53.4 | 178.5 | -177.7 | 77.6 | 0 | 0 | 0 | 112 | H933 E934 Y935 L940 L941 | H933-H937 WeakPolarHBondContact O-CB 3.44Å; H933-H937 PolarHBondContact O-N 2.94Å; E934-H937 PolarHBondContact O-N 2.88Å; Y935-H937 PolarHBondContact O-N 3.46Å; H937-L940 PolarHBondContact O-N 3.39Å; H937-L941 WeakPolarHBondContact O-CB 3.36Å; H937-L941 PolarHBondContact O-N 2.87Å; H937-L941 VanDerWaalsContact O-N 3.08Å |
| 938 | W | 91.1 | Very high | 92.1 | Very high | 6 Ų | 6 | 30.5 Ų | 30.5 | 2% | 0.023 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.3 | -35.6 | -177.9 | -68 | 114.5 | 0 | 0 | 0 | 112.3 | F870 Y918 L919 Q922 V923 E934 L941 Y942 | F870-W938 HydrophobicContact CZ-CZ3 4.34Å; Y918-W938 HydrophobicContact CE1-CH2 4.4Å; Y918-W938 HydrophobicContact CE1-CZ3 4.14Å; L919-W938 HydrophobicContact CD2-CE3 4.03Å; L919-W938 HydrophobicContact CD2-CZ3 4.09Å; Q922-W938 HydrophobicContact CB-CB 4.17Å; Q922-W938 HydrophobicContact CB-CD2 3.51Å; Q922-W938 HydrophobicContact CB-CE3 3.68Å; Q922-W938 HydrophobicContact CB-CG 3.71Å; Q922-W938 HydrophobicContact CB-CZ3 4.29Å; Q922-W938 HydrophobicContact CG-CD2 4Å; Q922-W938 HydrophobicContact CG-CE3 3.88Å; Q922-W938 HydrophobicContact CG-CH2 4.17Å; Q922-W938 HydrophobicContact CG-CZ2 4.26Å; Q922-W938 HydrophobicContact CG-CZ3 3.96Å; V923-W938 HydrophobicContact CG2-CB 3.8Å; E934-W938 PolarHBondContact O-N 2.86Å; W938-L941 HydrophobicContact CE3-CD2 3.86Å; W938-L941 HydrophobicContact CZ3-CD2 3.73Å; W938-L941 PolarHBondContact O-N 2.82Å; W938-Y942 WeakPolarHBondContact O-CB 3.35Å; W938-Y942 PolarHBondContact O-N 2.92Å |
| 939 | L | 94.2 | Very high | 92 | Very high | 7 Ų | 7 | 32.5 Ų | 32.5 | 4% | 0.037 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64 | -44.5 | 176.1 | 179.4 | 64.4 | 0 | 0 | 0 | 112 | Y935 L941 A943 I958 L962 L986 | Y935-L939 HydrophobicContact CE1-CD2 3.89Å; Y935-L939 WeakPolarHBondContact O-CB 3.15Å; Y935-L939 PolarHBondContact O-N 3.22Å; L939-L941 VanDerWaalsContact C-N 3.35Å; L939-A943 WeakPolarHBondContact O-CB 3.43Å; L939-A943 PolarHBondContact O-N 3.48Å; L939-I958 HydrophobicContact CD1-CG2 4.15Å; L939-L962 HydrophobicContact CD2-CD1 4.31Å; L939-L986 HydrophobicContact CD2-CD1 4.07Å |
| 940 | L | 91.4 | Very high | 92 | Very high | 27 Ų | 27 | 32.8 Ų | 32.8 | 14% | 0.141 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.1 | -38.3 | 176.1 | -70.8 | 169.7 | 0 | 0 | 0 | 111.8 | R936 H937 R944 E989 L990 | R936-L940 HydrophobicContact CG-CD1 3.91Å; R936-L940 WeakPolarHBondContact O-CB 3.36Å; R936-L940 WeakPolarHBondContact O-CD1 3.23Å; R936-L940 VanDerWaalsContact O-CG 3.24Å; R936-L940 WeakPolarHBondContact O-CG 3.08Å; R936-L940 PolarHBondContact O-N 2.74Å; R936-L940 VanDerWaalsContact O-N 3.09Å; H937-L940 PolarHBondContact O-N 3.39Å; L940-R944 WeakPolarHBondContact O-CD 3.28Å; L940-R944 VanDerWaalsContact O-CG 3.23Å; L940-R944 WeakPolarHBondContact O-CG 3.27Å; L940-R944 PolarHBondContact O-N 3.35Å; L940-R944 VanDerWaalsContact O-N 3.08Å; L940-E989 HydrophobicContact CD2-CB 3.94Å; L940-L990 HydrophobicContact CD2-CD2 3.8Å; L940-L990 HydrophobicContact CD2-CG 3.96Å |
| 941 | L | 90.9 | Very high | 92.1 | Very high | 5 Ų | 5 | 32.7 Ų | 32.7 | 3% | 0.026 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -70.4 | -43 | 178 | -174.4 | 60.3 | 0 | 0 | 0 | 112.3 | F870 S873 L874 L919 H937 W938 L939 R944 Y945 | F870-L941 HydrophobicContact CD2-CD1 4.29Å; F870-L941 HydrophobicContact CD2-CD2 3.8Å; F870-L941 HydrophobicContact CD2-CG 4.32Å; F870-L941 HydrophobicContact CE2-CD2 3.85Å; S873-L941 WeakPolarHBondContact O-CD1 3.49Å; L874-L941 HydrophobicContact CD2-CD1 4.11Å; L874-L941 HydrophobicContact CD2-CD2 4.37Å; L919-L941 HydrophobicContact CD2-CD2 4.16Å; L919-L941 HydrophobicContact CD2-CG 4.21Å; H937-L941 WeakPolarHBondContact O-CB 3.36Å; H937-L941 PolarHBondContact O-N 2.87Å; H937-L941 VanDerWaalsContact O-N 3.08Å; W938-L941 HydrophobicContact CE3-CD2 3.86Å; W938-L941 HydrophobicContact CZ3-CD2 3.73Å; W938-L941 PolarHBondContact O-N 2.82Å; L939-L941 VanDerWaalsContact C-N 3.35Å; L941-R944 PolarHBondContact O-N 2.64Å; L941-Y945 PolarHBondContact O-N 3.42Å |
| 942 | Y | 94.3 | Very high | 92.1 | Very high | 20 Ų | 20 | 35.1 Ų | 35.1 | 8% | 0.078 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.5 | -47.7 | 173.6 | 172.3 | -124.3 | 0 | 0 | 0 | 111.5 | L919 E920 V923 W938 R944 Y945 L946 I958 | L919-Y942 HydrophobicContact CB-CD2 3.76Å; L919-Y942 HydrophobicContact CB-CG 4.35Å; E920-Y942 HydrophobicContact CG-CD2 4.29Å; E920-Y942 HydrophobicContact CG-CE1 4.32Å; E920-Y942 HydrophobicContact CG-CE2 3.44Å; E920-Y942 VanDerWaalsContact CG-CE2 3.44Å; E920-Y942 VanDerWaalsContact CG-CZ 3.47Å; E920-Y942 WeakPolarHBondContact CG-OH 3.47Å; E920-Y942 PolarHBondContact OE1-OH 2.94Å; V923-Y942 HydrophobicContact CG2-CD1 4.4Å; V923-Y942 HydrophobicContact CG2-CG 4.48Å; W938-Y942 WeakPolarHBondContact O-CB 3.35Å; W938-Y942 PolarHBondContact O-N 2.92Å; Y942-R944 PolarHBondContact O-N 3.2Å; Y942-Y945 WeakPolarHBondContact O-CA 3.42Å; Y942-Y945 WeakPolarHBondContact O-CB 3.48Å; Y942-Y945 PolarHBondContact O-N 2.82Å; Y942-Y945 VanDerWaalsContact O-N 3.08Å; Y942-L946 HydrophobicContact CD1-CD1 4.27Å; Y942-L946 HydrophobicContact CD2-CD2 4.48Å; Y942-L946 HydrophobicContact CD2-CG 4.27Å; Y942-L946 HydrophobicContact CE1-CD1 3.82Å; Y942-L946 HydrophobicContact CE2-CD1 4.09Å; Y942-L946 HydrophobicContact CE2-CD2 3.82Å; Y942-L946 HydrophobicContact CE2-CG 3.99Å; Y942-L946 WeakPolarHBondContact O-CG 3.46Å; Y942-L946 PolarHBondContact O-N 2.83Å; Y942-I958 HydrophobicContact CD1-CD1 3.93Å; Y942-I958 HydrophobicContact CE1-CD1 3.46Å; Y942-I958 VanDerWaalsContact CE1-CD1 3.46Å; Y942-I958 HydrophobicContact CE1-CG1 4.43Å |
| 943 | A | 93.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.3 | -35.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L939 Y945 L946 V947 L955 L990 | L939-A943 WeakPolarHBondContact O-CB 3.43Å; L939-A943 PolarHBondContact O-N 3.48Å; A943-Y945 VanDerWaalsContact C-N 3.32Å; A943-L946 PolarHBondContact O-N 2.93Å; A943-V947 WeakPolarHBondContact O-CB 3.44Å; A943-V947 VanDerWaalsContact O-CG2 3.32Å; A943-V947 WeakPolarHBondContact O-CG2 3.48Å; A943-V947 PolarHBondContact O-N 3.19Å; A943-L955 HydrophobicContact CB-CD1 4.35Å; A943-L990 HydrophobicContact CB-CD2 3.19Å |
| 944 | R | 92.5 | Very high | 92.5 | Very high | 70 Ų | 70 | 41.2 Ų | 41.2 | 26% | 0.264 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -59.9 | -43.2 | 169.4 | -74.4 | 167.8 | -173.2 | -165.6 | 3 | 111.6 | S873 L940 L941 Y942 V947 N948 V993 | S873-R944 WeakPolarHBondContact O-CD 3.38Å; L940-R944 WeakPolarHBondContact O-CD 3.28Å; L940-R944 VanDerWaalsContact O-CG 3.23Å; L940-R944 WeakPolarHBondContact O-CG 3.27Å; L940-R944 PolarHBondContact O-N 3.35Å; L940-R944 VanDerWaalsContact O-N 3.08Å; L941-R944 PolarHBondContact O-N 2.64Å; Y942-R944 PolarHBondContact O-N 3.2Å; R944-V947 PolarHBondContact O-N 2.99Å; R944-N948 WeakPolarHBondContact O-CB 3.28Å; R944-N948 PolarHBondContact O-N 3.08Å; R944-N948 PolarHBondContact O-ND2 2.97Å; R944-V993 HydrophobicContact CB-CG1 4.22Å; R944-V993 HydrophobicContact CG-CB 4.35Å; R944-V993 HydrophobicContact CG-CG1 3.48Å; R944-V993 VanDerWaalsContact CG-CG1 3.48Å; R944-V993 HydrophobicContact CG-CG2 3.91Å |
| 945 | Y | 93.2 | Very high | 92.7 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.6 | -45.7 | 175.5 | -169.5 | -105.5 | 0 | 0 | 0 | 111.9 | F870 Q912 T915 L916 L919 L941 Y942 A943 V947 N948 E949 F951 | F870-Y945 HydrophobicContact CB-CD2 4.28Å; Q912-Y945 WeakPolarHBondContact CA-OH 3.32Å; T915-Y945 WeakPolarHBondContact CB-OH 3.46Å; T915-Y945 HydrophobicContact CG2-CD1 4.41Å; T915-Y945 HydrophobicContact CG2-CD2 4.11Å; T915-Y945 HydrophobicContact CG2-CE1 3.92Å; T915-Y945 HydrophobicContact CG2-CE2 3.6Å; T915-Y945 VanDerWaalsContact CG2-CZ 3.5Å; L916-Y945 HydrophobicContact CB-CE1 4.2Å; L919-Y945 HydrophobicContact CD1-CD1 3.9Å; L919-Y945 HydrophobicContact CD1-CD2 4.32Å; L919-Y945 HydrophobicContact CD1-CG 3.68Å; L941-Y945 PolarHBondContact O-N 3.42Å; Y942-Y945 WeakPolarHBondContact O-CA 3.42Å; Y942-Y945 WeakPolarHBondContact O-CB 3.48Å; Y942-Y945 PolarHBondContact O-N 2.82Å; Y942-Y945 VanDerWaalsContact O-N 3.08Å; A943-Y945 VanDerWaalsContact C-N 3.32Å; Y945-V947 VanDerWaalsContact C-N 3.31Å; Y945-V947 PolarHBondContact O-N 3.27Å; Y945-N948 PolarHBondContact O-N 3.29Å; Y945-E949 HydrophobicContact CD1-CG 4.33Å; Y945-E949 HydrophobicContact CD2-CG 4.14Å; Y945-E949 HydrophobicContact CE1-CG 3.88Å; Y945-E949 HydrophobicContact CE2-CG 3.67Å; Y945-E949 HydrophobicContact CG-CG 4.43Å; Y945-E949 PolarHBondContact O-N 3.16Å; Y945-F951 HydrophobicContact CE1-CE2 4.31Å |
| 946 | L | 94.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.8 | -37.1 | 174.6 | -61.7 | 177.2 | 0 | 0 | 0 | 112.9 | L916 Y942 A943 G950 F951 R954 L955 I958 | L916-L946 HydrophobicContact CD1-CD2 4.43Å; Y942-L946 HydrophobicContact CD1-CD1 4.27Å; Y942-L946 HydrophobicContact CD2-CD2 4.48Å; Y942-L946 HydrophobicContact CD2-CG 4.27Å; Y942-L946 HydrophobicContact CE1-CD1 3.82Å; Y942-L946 HydrophobicContact CE2-CD1 4.09Å; Y942-L946 HydrophobicContact CE2-CD2 3.82Å; Y942-L946 HydrophobicContact CE2-CG 3.99Å; Y942-L946 WeakPolarHBondContact O-CG 3.46Å; Y942-L946 PolarHBondContact O-N 2.83Å; A943-L946 PolarHBondContact O-N 2.93Å; L946-G950 CarbonylContact O-C 3.53Å; L946-G950 WeakPolarHBondContact O-CA 3.23Å; L946-G950 PolarHBondContact O-N 2.04Å; L946-F951 HydrophobicContact CB-CB 4.27Å; L946-F951 HydrophobicContact CD2-CB 3.55Å; L946-F951 HydrophobicContact CD2-CD2 3.98Å; L946-F951 HydrophobicContact CD2-CG 4.07Å; L946-F951 HydrophobicContact CG-CB 4.49Å; L946-F951 PolarHBondContact O-N 3.25Å; L946-R954 HydrophobicContact CD1-CB 3.83Å; L946-R954 HydrophobicContact CD2-CB 3.99Å; L946-L955 HydrophobicContact CB-CB 4.34Å; L946-L955 HydrophobicContact CB-CD1 4.44Å; L946-L955 HydrophobicContact CD1-CB 4.35Å; L946-I958 HydrophobicContact CD1-CD1 3.43Å; L946-I958 VanDerWaalsContact CD1-CD1 3.43Å |
| 947 | V | 93.8 | Very high | 92.9 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.018 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -71.2 | -38.4 | 176.4 | 167.1 | 0 | 0 | 0 | 0 | 112 | A943 R944 Y945 L955 V993 I994 N997 F1000 | A943-V947 WeakPolarHBondContact O-CB 3.44Å; A943-V947 VanDerWaalsContact O-CG2 3.32Å; A943-V947 WeakPolarHBondContact O-CG2 3.48Å; A943-V947 PolarHBondContact O-N 3.19Å; R944-V947 PolarHBondContact O-N 2.99Å; Y945-V947 VanDerWaalsContact C-N 3.31Å; Y945-V947 PolarHBondContact O-N 3.27Å; V947-L955 HydrophobicContact CG2-CD1 4Å; V947-L955 HydrophobicContact CG2-CD2 3.54Å; V947-L955 HydrophobicContact CG2-CG 4.43Å; V947-V993 HydrophobicContact CB-CG1 4.18Å; V947-V993 HydrophobicContact CG1-CG1 4.23Å; V947-V993 HydrophobicContact CG2-CG1 4.16Å; V947-I994 HydrophobicContact CG2-CG1 4.02Å; V947-N997 HydrophobicContact CG1-CB 3.73Å; V947-N997 PolarHBondContact O-ND2 2.83Å; V947-F1000 HydrophobicContact CG1-CD2 4.3Å; V947-F1000 HydrophobicContact CG2-CD2 4.35Å |
| 948 | N | 90.9 | Very high | 93.2 | Very high | 81 Ų | 81 | 45.1 Ų | 45.1 | 43% | 0.433 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -71.5 | -49.5 | -179.7 | -74.4 | -20.8 | 0 | 0 | 0 | 111.9 | S873 R944 Y945 | S873-N948 PolarHBondContact OG-ND2 3.31Å; R944-N948 WeakPolarHBondContact O-CB 3.28Å; R944-N948 PolarHBondContact O-N 3.08Å; R944-N948 PolarHBondContact O-ND2 2.97Å; Y945-N948 PolarHBondContact O-N 3.29Å |
| 949 | E | 90.9 | Very high | 93.4 | Very high | 62 Ų | 62 | 44.9 Ų | 44.9 | 29% | 0.29 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -80.5 | -17.2 | 179.9 | -57.5 | -56.9 | 134.2 | 0 | 0 | 113 | Q912 Y945 F951 | Q912-E949 PolarHBondContact NE2-OE2 2.92Å; Y945-E949 HydrophobicContact CD1-CG 4.33Å; Y945-E949 HydrophobicContact CD2-CG 4.14Å; Y945-E949 HydrophobicContact CE1-CG 3.88Å; Y945-E949 HydrophobicContact CE2-CG 3.67Å; Y945-E949 HydrophobicContact CG-CG 4.43Å; Y945-E949 PolarHBondContact O-N 3.16Å; E949-F951 HydrophobicContact CB-CD2 3.66Å; E949-F951 HydrophobicContact CB-CE2 3.49Å; E949-F951 VanDerWaalsContact CB-CE2 3.49Å; E949-F951 HydrophobicContact CB-CZ 4.48Å; E949-F951 HydrophobicContact CG-CE2 4.15Å |
| 950 | G | 91.5 | Very high | 93.2 | Very high | 7 Ų | 7 | 52.4 Ų | 52.4 | 7% | 0.072 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | 33.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | L946 E952 R999 | L946-G950 CarbonylContact O-C 3.53Å; L946-G950 WeakPolarHBondContact O-CA 3.23Å; L946-G950 PolarHBondContact O-N 2.04Å; G950-E952 PolarHBondContact O-N 3.44Å; G950-E952 VanDerWaalsContact O-N 3.09Å; G950-R999 PolarHBondContact O-NH1 2.93Å; G950-R999 VanDerWaalsContact O-NH1 3.08Å; G950-R999 PolarHBondContact O-NH2 2.83Å |
| 951 | F | 93.3 | Very high | 93.3 | Very high | 57 Ų | 57 | 54.6 Ų | 54.6 | 25% | 0.25 | 24% | 0.241 | C | C | . | . | trans | -81.9 | 74 | -179.6 | -71 | -69.9 | 0 | 0 | 0 | 112.9 | L916 Y945 L946 E949 Y953 L955 | L916-F951 HydrophobicContact CD1-CD1 4.27Å; L916-F951 HydrophobicContact CD1-CD2 3.99Å; L916-F951 HydrophobicContact CD1-CE1 4.08Å; L916-F951 HydrophobicContact CD1-CE2 3.78Å; L916-F951 HydrophobicContact CD1-CG 4.24Å; L916-F951 HydrophobicContact CD1-CZ 3.83Å; Y945-F951 HydrophobicContact CE1-CE2 4.31Å; L946-F951 HydrophobicContact CB-CB 4.27Å; L946-F951 HydrophobicContact CD2-CB 3.55Å; L946-F951 HydrophobicContact CD2-CD2 3.98Å; L946-F951 HydrophobicContact CD2-CG 4.07Å; L946-F951 HydrophobicContact CG-CB 4.49Å; L946-F951 PolarHBondContact O-N 3.25Å; E949-F951 HydrophobicContact CB-CD2 3.66Å; E949-F951 HydrophobicContact CB-CE2 3.49Å; E949-F951 VanDerWaalsContact CB-CE2 3.49Å; E949-F951 HydrophobicContact CB-CZ 4.48Å; E949-F951 HydrophobicContact CG-CE2 4.15Å; F951-Y953 PolarHBondContact O-N 3.12Å; F951-L955 PolarHBondContact O-N 3.43Å | ||
| 952 | E | 92.5 | Very high | 93.4 | Very high | 62 Ų | 62 | 54.4 Ų | 54.4 | 29% | 0.29 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -53.9 | -49.3 | -172.2 | -170.9 | 173.4 | 166.2 | 0 | 0 | 114.8 | G950 R954 L955 R956 F1000 | G950-E952 PolarHBondContact O-N 3.44Å; G950-E952 VanDerWaalsContact O-N 3.09Å; E952-R954 PolarHBondContact O-N 2.98Å; E952-L955 PolarHBondContact O-N 3.07Å; E952-R956 WeakPolarHBondContact O-CB 3.37Å; E952-R956 PolarHBondContact O-N 3.34Å; E952-R956 IonicContact OE1-CZ 3.7Å; E952-R956 IonicContact OE1-NE 3.24Å; E952-R956 PolarHBondContact OE1-NE 3.01Å; E952-R956 IonicContact OE1-NH2 2.79Å; E952-R956 PolarHBondContact OE1-NH2 3.49Å; E952-F1000 HydrophobicContact CB-CE1 3.73Å; E952-F1000 HydrophobicContact CB-CZ 4.45Å; E952-F1000 HydrophobicContact CG-CD1 4.41Å; E952-F1000 HydrophobicContact CG-CE1 3.87Å |
| 953 | Y | 93.7 | Very high | 93.2 | Very high | 205 Ų | 205 | 53.9 Ų | 53.9 | 80% | 0.804 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -61.7 | -46.1 | -169.6 | -65.7 | -72.9 | 0 | 0 | 0 | 112.7 | F951 R956 E957 | F951-Y953 PolarHBondContact O-N 3.12Å; Y953-R956 PolarHBondContact O-N 3.14Å; Y953-E957 WeakPolarHBondContact O-CB 3.24Å; Y953-E957 PolarHBondContact O-N 3.24Å |
| 954 | R | 94.5 | Very high | 92.9 | Very high | 95 Ų | 95 | 54.7 Ų | 54.7 | 36% | 0.358 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62 | -44.5 | 174.2 | -73.7 | 173.7 | 163.5 | 98.2 | -2 | 111.5 | E920 L946 E952 R956 E957 I958 | E920-R954 WeakPolarHBondContact OE1-CD 3.45Å; E920-R954 IonicContact OE1-CZ 2.81Å; E920-R954 IonicContact OE1-NE 3.77Å; E920-R954 PolarHBondContact OE1-NE 3.35Å; E920-R954 IonicContact OE1-NH2 3.47Å; L946-R954 HydrophobicContact CD1-CB 3.83Å; L946-R954 HydrophobicContact CD2-CB 3.99Å; E952-R954 PolarHBondContact O-N 2.98Å; R954-R956 VanDerWaalsContact C-N 3.34Å; R954-R956 PolarHBondContact O-N 3.24Å; R954-E957 WeakPolarHBondContact O-CB 3.41Å; R954-E957 PolarHBondContact O-N 3.35Å; R954-I958 WeakPolarHBondContact O-CD1 3.42Å; R954-I958 VanDerWaalsContact O-CG1 3.3Å; R954-I958 WeakPolarHBondContact O-CG1 3.37Å; R954-I958 PolarHBondContact O-N 3.07Å |
| 955 | L | 95.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.3 | -42 | 179.2 | -175.2 | 65.7 | 0 | 0 | 0 | 111.8 | A943 L946 V947 F951 E952 I958 C959 I994 F1000 L1003 | A943-L955 HydrophobicContact CB-CD1 4.35Å; L946-L955 HydrophobicContact CB-CB 4.34Å; L946-L955 HydrophobicContact CB-CD1 4.44Å; L946-L955 HydrophobicContact CD1-CB 4.35Å; V947-L955 HydrophobicContact CG2-CD1 4Å; V947-L955 HydrophobicContact CG2-CD2 3.54Å; V947-L955 HydrophobicContact CG2-CG 4.43Å; F951-L955 PolarHBondContact O-N 3.43Å; E952-L955 PolarHBondContact O-N 3.07Å; L955-I958 PolarHBondContact O-N 3.33Å; L955-C959 PolarHBondContact O-N 3.03Å; L955-C959 PolarHBondContact O-SG 3.33Å; L955-I994 HydrophobicContact CD1-CD1 4.1Å; L955-I994 HydrophobicContact CD1-CG1 4.17Å; L955-I994 HydrophobicContact CD2-CG1 4.29Å; L955-I994 HydrophobicContact CD2-CG2 4.44Å; L955-I994 HydrophobicContact CG-CD1 4.39Å; L955-F1000 HydrophobicContact CD2-CD1 4.03Å; L955-F1000 HydrophobicContact CD2-CD2 4.06Å; L955-F1000 HydrophobicContact CD2-CE1 4.15Å; L955-F1000 HydrophobicContact CD2-CE2 4.18Å; L955-F1000 HydrophobicContact CD2-CG 3.99Å; L955-F1000 HydrophobicContact CD2-CZ 4.21Å; L955-L1003 HydrophobicContact CD2-CD2 3.94Å; L955-L1003 HydrophobicContact CG-CD2 3.94Å |
| 956 | R | 94.7 | Very high | 91.4 | Very high | 70 Ų | 70 | 54.5 Ų | 54.5 | 26% | 0.264 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.3 | -36.3 | 176.9 | -175.2 | 177.5 | -69.2 | -80.7 | 0.2 | 112.2 | E952 Y953 R954 C959 K960 L1003 E1006 | E952-R956 WeakPolarHBondContact O-CB 3.37Å; E952-R956 PolarHBondContact O-N 3.34Å; E952-R956 IonicContact OE1-CZ 3.7Å; E952-R956 IonicContact OE1-NE 3.24Å; E952-R956 PolarHBondContact OE1-NE 3.01Å; E952-R956 IonicContact OE1-NH2 2.79Å; E952-R956 PolarHBondContact OE1-NH2 3.49Å; Y953-R956 PolarHBondContact O-N 3.14Å; R954-R956 VanDerWaalsContact C-N 3.34Å; R954-R956 PolarHBondContact O-N 3.24Å; R956-C959 PolarHBondContact O-N 3.49Å; R956-K960 WeakPolarHBondContact O-CB 3.49Å; R956-K960 PolarHBondContact O-N 3.18Å; R956-L1003 HydrophobicContact CB-CD1 4.38Å; R956-L1003 HydrophobicContact CB-CD2 4.42Å; R956-L1003 HydrophobicContact CG-CD1 4.16Å; R956-E1006 IonicContact CZ-OE2 3.15Å; R956-E1006 VanDerWaalsContact NH1-CD 3.32Å; R956-E1006 IonicContact NH1-OE1 2.79Å; R956-E1006 PolarHBondContact NH1-OE1 2.98Å; R956-E1006 IonicContact NH1-OE2 2.73Å; R956-E1006 PolarHBondContact NH1-OE2 3.41Å; R956-E1006 IonicContact NH2-OE2 3.16Å |
| 957 | E | 94.6 | Very high | 90.1 | Very high | 141 Ų | 141 | 61.2 Ų | 61.2 | 66% | 0.659 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -63.4 | -48.4 | 174 | -179.1 | 166.1 | -124.8 | 0 | 0 | 112 | Y953 R954 C959 K960 D961 | Y953-E957 WeakPolarHBondContact O-CB 3.24Å; Y953-E957 PolarHBondContact O-N 3.24Å; R954-E957 WeakPolarHBondContact O-CB 3.41Å; R954-E957 PolarHBondContact O-N 3.35Å; E957-C959 VanDerWaalsContact C-N 3.35Å; E957-C959 PolarHBondContact O-N 3.43Å; E957-K960 WeakPolarHBondContact O-CB 3.35Å; E957-K960 PolarHBondContact O-N 3.1Å; E957-K960 VanDerWaalsContact O-N 3.17Å; E957-D961 PolarHBondContact O-N 3.16Å |
| 958 | I | 95.7 | Very high | 88.2 | Confident | 25 Ų | 25 | 72.3 Ų | 72.3 | 13% | 0.128 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.6 | -47.2 | 174 | -62.9 | 159.9 | 0 | 0 | 0 | 110.7 | L939 Y942 L946 R954 L955 K960 D961 L962 L990 | L939-I958 HydrophobicContact CD1-CG2 4.15Å; Y942-I958 HydrophobicContact CD1-CD1 3.93Å; Y942-I958 HydrophobicContact CE1-CD1 3.46Å; Y942-I958 VanDerWaalsContact CE1-CD1 3.46Å; Y942-I958 HydrophobicContact CE1-CG1 4.43Å; L946-I958 HydrophobicContact CD1-CD1 3.43Å; L946-I958 VanDerWaalsContact CD1-CD1 3.43Å; R954-I958 WeakPolarHBondContact O-CD1 3.42Å; R954-I958 VanDerWaalsContact O-CG1 3.3Å; R954-I958 WeakPolarHBondContact O-CG1 3.37Å; R954-I958 PolarHBondContact O-N 3.07Å; L955-I958 PolarHBondContact O-N 3.33Å; I958-K960 VanDerWaalsContact C-N 3.29Å; I958-K960 PolarHBondContact O-N 2.87Å; I958-D961 PolarHBondContact O-N 3.4Å; I958-L962 HydrophobicContact CG2-CD1 3.68Å; I958-L962 HydrophobicContact CG2-CG 4.27Å; I958-L962 WeakPolarHBondContact O-CB 3.44Å; I958-L962 VanDerWaalsContact O-CG 3.29Å; I958-L962 WeakPolarHBondContact O-CG 3.34Å; I958-L962 PolarHBondContact O-N 3.2Å; I958-L990 HydrophobicContact CG2-CD1 4.35Å |
| 959 | C | 94.1 | Very high | 86.4 | Confident | 2 Ų | 2 | 71.9 Ų | 71.9 | 1% | 0.014 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.2 | -39.9 | 178.5 | -67.1 | 0 | 0 | 0 | 0 | 112.1 | L955 R956 E957 L962 L963 L987 I994 L1003 | L955-C959 PolarHBondContact O-N 3.03Å; L955-C959 PolarHBondContact O-SG 3.33Å; R956-C959 PolarHBondContact O-N 3.49Å; E957-C959 VanDerWaalsContact C-N 3.35Å; E957-C959 PolarHBondContact O-N 3.43Å; C959-L962 PolarHBondContact O-N 2.98Å; C959-L963 WeakPolarHBondContact O-CB 3.47Å; C959-L963 PolarHBondContact O-N 3.03Å; C959-L987 HydrophobicContact CB-CD1 4.17Å; C959-I994 VanDerWaalsContact SG-CD1 3.51Å; C959-L1003 HydrophobicContact CB-CD1 4.44Å |
| 960 | K | 91.6 | Very high | 84.2 | Confident | 165 Ų | 165 | 76.8 Ų | 76.8 | 72% | 0.717 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -67.4 | -44.6 | 179.2 | -176 | -176.9 | 175.3 | -170.6 | 0 | 112.4 | R956 E957 I958 G964 | R956-K960 WeakPolarHBondContact O-CB 3.49Å; R956-K960 PolarHBondContact O-N 3.18Å; E957-K960 WeakPolarHBondContact O-CB 3.35Å; E957-K960 PolarHBondContact O-N 3.1Å; E957-K960 VanDerWaalsContact O-N 3.17Å; I958-K960 VanDerWaalsContact C-N 3.29Å; I958-K960 PolarHBondContact O-N 2.87Å; K960-G964 PolarHBondContact O-N 2.93Å; K960-G964 VanDerWaalsContact O-N 3.08Å |
| 961 | D | 92.7 | Very high | 82.5 | Confident | 72 Ų | 72 | 79.7 Ų | 79.7 | 39% | 0.385 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 174.9 | 178.8 | 62 | 0 | 0 | 0 | 111.8 | E957 I958 L963 W974 K983 | E957-D961 PolarHBondContact O-N 3.16Å; I958-D961 PolarHBondContact O-N 3.4Å; D961-L963 VanDerWaalsContact C-N 3.33Å; D961-L963 PolarHBondContact O-N 3.06Å; D961-W974 PolarHBondContact O-NE1 3Å; D961-K983 WeakPolarHBondContact O-CD 3.24Å; D961-K983 IonicContact OD1-NZ 3.21Å; D961-K983 PolarHBondContact OD1-NZ 3.33Å; D961-K983 WeakPolarHBondContact OD2-CE 3.32Å; D961-K983 IonicContact OD2-NZ 3.46Å; D961-K983 PolarHBondContact OD2-NZ 3.43Å |
| 962 | L | 93.4 | Very high | 80.8 | Confident | 2 Ų | 2 | 79.7 Ų | 79.7 | 1% | 0.01 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -72.4 | -26.5 | -177.3 | -67 | 177.8 | 0 | 0 | 0 | 113.6 | L939 I958 C959 K983 R984 L986 L987 L990 | L939-L962 HydrophobicContact CD2-CD1 4.31Å; I958-L962 HydrophobicContact CG2-CD1 3.68Å; I958-L962 HydrophobicContact CG2-CG 4.27Å; I958-L962 WeakPolarHBondContact O-CB 3.44Å; I958-L962 VanDerWaalsContact O-CG 3.29Å; I958-L962 WeakPolarHBondContact O-CG 3.34Å; I958-L962 PolarHBondContact O-N 3.2Å; C959-L962 PolarHBondContact O-N 2.98Å; L962-K983 HydrophobicContact CD2-CB 3.97Å; L962-K983 HydrophobicContact CD2-CD 4.34Å; L962-K983 HydrophobicContact CD2-CG 4.02Å; L962-K983 CarbonylContact O-C 3.51Å; L962-K983 VanDerWaalsContact O-C 3.23Å; L962-K983 WeakPolarHBondContact O-CB 3.43Å; L962-R984 WeakPolarHBondContact O-CG 3.45Å; L962-R984 PolarHBondContact O-N 3.34Å; L962-L986 HydrophobicContact CD1-CB 4.27Å; L962-L986 HydrophobicContact CD2-CB 4.32Å; L962-L986 HydrophobicContact CD2-CD1 4.27Å; L962-L987 HydrophobicContact CB-CB 4.01Å; L962-L987 HydrophobicContact CB-CD1 4.47Å; L962-L990 HydrophobicContact CD1-CD1 3.26Å |
| 963 | L | 90.7 | Very high | 79.7 | Confident | 9 Ų | 9 | 86.4 Ų | 86.4 | 5% | 0.047 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -79.7 | -44.7 | 175.9 | -176 | 58.2 | 0 | 0 | 0 | 112.4 | C959 D961 R984 L987 Q1010 L1011 L1014 | C959-L963 WeakPolarHBondContact O-CB 3.47Å; C959-L963 PolarHBondContact O-N 3.03Å; D961-L963 VanDerWaalsContact C-N 3.33Å; D961-L963 PolarHBondContact O-N 3.06Å; L963-R984 PolarHBondContact O-NE 3.18Å; L963-R984 PolarHBondContact O-NH2 3.14Å; L963-L987 HydrophobicContact CB-CD2 3.71Å; L963-L987 HydrophobicContact CD1-CD2 4.04Å; L963-L987 HydrophobicContact CG-CD2 4.39Å; L963-Q1010 HydrophobicContact CD1-CB 4.29Å; L963-Q1010 HydrophobicContact CD2-CB 3.79Å; L963-Q1010 HydrophobicContact CD2-CG 4.48Å; L963-L1011 HydrophobicContact CD1-CD2 3.7Å; L963-L1011 HydrophobicContact CD1-CG 3.89Å; L963-L1014 HydrophobicContact CD1-CD1 3.98Å |
| 964 | G | 87 | Confident | 79.4 | Confident | 16 Ų | 16 | 79.5 Ų | 79.5 | 17% | 0.165 | 41% | 0.408 | C | S | . | . | trans | 69 | -169 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | K960 | K960-G964 PolarHBondContact O-N 2.93Å; K960-G964 VanDerWaalsContact O-N 3.08Å | ||
| 965 | P | 81.8 | Confident | 79 | Confident | 41 Ų | 41 | 82 Ų | 82 | 27% | 0.266 | 42% | 0.423 | S | S | . | . | trans | -69.4 | 133.1 | 179 | 29.5 | -35.3 | 0 | 0 | 0 | 112.1 | H967 W974 R984 | P965-H967 VanDerWaalsContact C-N 3.34Å; P965-W974 HydrophobicContact CG-CB 4.2Å; P965-W974 HydrophobicContact CG-CE3 4.46Å; P965-R984 PolarHBondContact O-NH2 3.36Å | ||
| 966 | V | 71.1 | Confident | 78.6 | Confident | 28 Ų | 28 | 85.2 Ų | 85.2 | 17% | 0.17 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -78.9 | -19.7 | 175.4 | -176.2 | 0 | 0 | 0 | 0 | 112.3 | Q1010 I1013 L1014 | V966-Q1010 HydrophobicContact CG2-CB 4.19Å; V966-Q1010 HydrophobicContact CG2-CG 4.23Å; V966-I1013 HydrophobicContact CG1-CG2 3.98Å; V966-L1014 HydrophobicContact CB-CD1 4.48Å; V966-L1014 HydrophobicContact CG1-CD1 4.41Å; V966-L1014 HydrophobicContact CG1-CD2 4.27Å; V966-L1014 HydrophobicContact CG1-CG 4.2Å; V966-L1014 HydrophobicContact CG2-CD1 4.16Å |
| 967 | H | 67.4 | Low | 78.5 | Confident | 142 Ų | 142 | 84.8 Ų | 84.8 | 66% | 0.657 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -127.4 | 131.5 | 176.9 | -64 | -96.4 | 0 | 0 | 0 | 109.8 | P965 S969 | P965-H967 VanDerWaalsContact C-N 3.34Å; H967-S969 PolarHBondContact O-N 2.9Å |
| 968 | Y | 55.1 | Low | 78.3 | Confident | 236 Ų | 236 | 78.9 Ų | 78.9 | 93% | 0.925 | 43% | 0.425 | S | S | * | . | trans | -75.9 | 108 | 178.2 | -140.3 | -88.9 | 0 | 0 | 0 | 109.6 | ||||
| 969 | S | 52.4 | Low | 78 | Confident | 72 Ų | 72 | 79.2 Ų | 79.2 | 50% | 0.503 | 43% | 0.428 | S | S | . | . | trans | -107.5 | 145.2 | 171.5 | 61.3 | 0 | 0 | 0 | 0 | 110 | H967 G971 S972 | H967-S969 PolarHBondContact O-N 2.9Å; S969-G971 PolarHBondContact O-N 2.58Å; S969-S972 PolarHBondContact O-N 3.2Å | ||
| 970 | T | 45.3 | Very low | 77.7 | Confident | 165 Ų | 165 | 82.5 Ų | 82.5 | 100% | 1.012 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | 23.1 | -169.8 | 19.5 | 0 | 0 | 0 | 0 | 115.7 | ||
| 971 | G | 54.7 | Low | 77.7 | Confident | 68 Ų | 68 | 76.7 Ų | 76.7 | 70% | 0.701 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -149.3 | 11 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115 | S969 Q973 | S969-G971 PolarHBondContact O-N 2.58Å; G971-Q973 PolarHBondContact O-N 3.08Å |
| 972 | S | 57.5 | Low | 77.7 | Confident | 57 Ų | 57 | 80.5 Ų | 80.5 | 40% | 0.399 | 45% | 0.448 | S | S | . | . | trans | -84.2 | 107.1 | -179 | -165.3 | 0 | 0 | 0 | 0 | 112.2 | S969 W974 | S969-S972 PolarHBondContact O-N 3.2Å; S972-W974 VanDerWaalsContact C-N 3.27Å; S972-W974 PolarHBondContact O-N 3.37Å; S972-W974 VanDerWaalsContact O-N 3.09Å | ||
| 973 | Q | 69.9 | Low | 77.7 | Confident | 203 Ų | 203 | 81.4 Ų | 81.4 | 95% | 0.949 | 45% | 0.452 | S | S | * | . | trans | -82.9 | 61.8 | 176.2 | -64.3 | -179.1 | -11.5 | 0 | 0 | 111.7 | G971 | G971-Q973 PolarHBondContact O-N 3.08Š| ||
| 974 | W | 87.4 | Confident | 77.8 | Confident | 59 Ų | 59 | 84 Ų | 84 | 22% | 0.223 | 46% | 0.461 | C | S | . | . | trans | -108.2 | 121.2 | 176 | 179.9 | 79.7 | 0 | 0 | 0 | 112 | D961 P965 S972 K983 R984 | D961-W974 PolarHBondContact O-NE1 3Å; P965-W974 HydrophobicContact CG-CB 4.2Å; P965-W974 HydrophobicContact CG-CE3 4.46Å; S972-W974 VanDerWaalsContact C-N 3.27Å; S972-W974 PolarHBondContact O-N 3.37Å; S972-W974 VanDerWaalsContact O-N 3.09Å; W974-K983 HydrophobicContact CZ2-CB 3.94Å; W974-K983 HydrophobicContact CZ2-CD 3.94Å; W974-K983 HydrophobicContact CZ2-CG 4.47Å; W974-R984 HydrophobicContact CH2-CG 4.21Å | ||
| 975 | E | 86.1 | Confident | 78.1 | Confident | 147 Ų | 147 | 87.4 Ų | 87.4 | 69% | 0.687 | 47% | 0.472 | S | S | * | . | trans | -82.8 | 126.5 | 173 | -62.4 | -169.9 | 160.8 | 0 | 0 | 110.9 | T977 K983 | E975-T977 VanDerWaalsContact C-N 3.25Å; E975-T977 PolarHBondContact O-N 3.18Å; E975-K983 WeakPolarHBondContact O-CD 3.25Å; E975-K983 VanDerWaalsContact O-CE 3.23Å; E975-K983 WeakPolarHBondContact O-CE 3.47Å | ||
| 976 | S | 88.4 | Confident | 78.7 | Confident | 69 Ų | 69 | 85.6 Ų | 85.6 | 48% | 0.483 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -78.6 | -6.8 | -177.7 | 60.2 | 0 | 0 | 0 | 0 | 114.4 | K983 | S976-K983 PolarHBondContact O-N 3.13Š|
| 977 | T | 91.1 | Very high | 79.8 | Confident | 61 Ų | 61 | 84.3 Ų | 84.3 | 37% | 0.374 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 157.2 | 179.1 | 51.5 | 0 | 0 | 0 | 0 | 111.7 | E975 L981 R982 | E975-T977 VanDerWaalsContact C-N 3.25Å; E975-T977 PolarHBondContact O-N 3.18Å; T977-L981 CarbonylContact C-O 3.54Å; T977-L981 WeakPolarHBondContact CA-O 3.31Å; T977-L981 WeakPolarHBondContact CB-O 3.36Å; T977-R982 HydrophobicContact CG2-CG 4.18Å |
| 978 | V | 91.9 | Very high | 81 | Confident | 18 Ų | 18 | 82.3 Ų | 82.3 | 11% | 0.109 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 122.7 | 174 | 59 | 0 | 0 | 0 | 0 | 107.9 | L927 Y935 G980 L981 K983 L986 | L927-V978 HydrophobicContact CD1-CG2 3.89Å; Y935-V978 HydrophobicContact CE1-CB 4.38Å; Y935-V978 HydrophobicContact CE1-CG1 3.67Å; Y935-V978 HydrophobicContact CE1-CG2 3.77Å; V978-G980 PolarHBondContact O-N 3.1Å; V978-G980 VanDerWaalsContact O-N 3.16Å; V978-L981 PolarHBondContact N-O 2.88Å; V978-L981 WeakPolarHBondContact O-CB 3.45Å; V978-L981 PolarHBondContact O-N 2.94Å; V978-K983 HydrophobicContact CB-CG 4.2Å; V978-K983 HydrophobicContact CG1-CG 3.85Å; V978-L986 HydrophobicContact CG1-CD1 3.72Å |
| 979 | V | 88.8 | Confident | 82.8 | Confident | 32 Ų | 32 | 74.2 Ų | 74.2 | 19% | 0.194 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 42.6 | -172.5 | -158 | 0 | 0 | 0 | 0 | 112.8 | L927 Q930 S932 Y935 L981 | L927-V979 HydrophobicContact CD1-CG2 3.47Å; L927-V979 VanDerWaalsContact CD1-CG2 3.47Å; Q930-V979 HydrophobicContact CB-CG1 4.2Å; Q930-V979 WeakPolarHBondContact O-CG1 3.37Å; S932-V979 VanDerWaalsContact CB-O 3.27Å; S932-V979 WeakPolarHBondContact CB-O 3.03Å; Y935-V979 HydrophobicContact CD1-CG2 4.42Å; Y935-V979 HydrophobicContact CG-CG2 4.28Å; V979-L981 PolarHBondContact O-N 2.83Å; V979-L981 VanDerWaalsContact O-N 3.14Å |
| 980 | G | 86.9 | Confident | 84.7 | Confident | 71 Ų | 71 | 70.9 Ų | 70.9 | 73% | 0.732 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.4 | -9.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | V978 | V978-G980 PolarHBondContact O-N 3.1Å; V978-G980 VanDerWaalsContact O-N 3.16Å |
| 981 | L | 92.1 | Very high | 87 | Confident | 43 Ų | 43 | 63.1 Ų | 63.1 | 23% | 0.225 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 145 | 174.8 | -55.8 | -179.3 | 0 | 0 | 0 | 110.5 | S932 R936 T977 V978 V979 L986 | S932-L981 WeakPolarHBondContact O-CD1 3.49Å; R936-L981 HydrophobicContact CB-CD1 3.79Å; R936-L981 HydrophobicContact CG-CD1 4.48Å; T977-L981 CarbonylContact C-O 3.54Å; T977-L981 WeakPolarHBondContact CA-O 3.31Å; T977-L981 WeakPolarHBondContact CB-O 3.36Å; V978-L981 PolarHBondContact N-O 2.88Å; V978-L981 WeakPolarHBondContact O-CB 3.45Å; V978-L981 PolarHBondContact O-N 2.94Å; V979-L981 PolarHBondContact O-N 2.83Å; V979-L981 VanDerWaalsContact O-N 3.14Å; L981-L986 HydrophobicContact CB-CD1 4.26Å; L981-L986 HydrophobicContact CD1-CD2 4.12Å |
| 982 | R | 92.9 | Very high | 88.7 | Confident | 151 Ų | 151 | 63.4 Ų | 63.4 | 57% | 0.57 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 125.1 | 176 | -72.1 | 161.9 | 167.9 | 178.3 | -0 | 110.4 | T977 R984 E985 L986 | T977-R982 HydrophobicContact CG2-CG 4.18Å; R982-R984 VanDerWaalsContact C-N 3.29Å; R982-R984 PolarHBondContact O-N 3.08Å; R982-E985 HydrophobicContact CB-CB 4.15Å; R982-E985 HydrophobicContact CB-CG 3.98Å; R982-E985 WeakPolarHBondContact CD-OE1 3.2Å; R982-E985 VanDerWaalsContact CD-OE2 3.31Å; R982-E985 WeakPolarHBondContact CD-OE2 3.23Å; R982-E985 IonicContact CZ-OE1 3.66Å; R982-E985 IonicContact NE-OE1 2.73Å; R982-E985 IonicContact NH1-OE1 2.84Å; R982-E985 PolarHBondContact NH1-OE1 3.33Å; R982-E985 PolarHBondContact O-N 3.08Å; R982-L986 PolarHBondContact O-N 3.32Å |
| 983 | K | 94 | Very high | 90.3 | Very high | 21 Ų | 21 | 61.3 Ų | 61.3 | 9% | 0.091 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -54.7 | -42.6 | -178.2 | -75.6 | -160.8 | -175.4 | -168.7 | 0 | 113 | D961 L962 W974 E975 S976 V978 E985 L986 L987 | D961-K983 WeakPolarHBondContact O-CD 3.24Å; D961-K983 IonicContact OD1-NZ 3.21Å; D961-K983 PolarHBondContact OD1-NZ 3.33Å; D961-K983 WeakPolarHBondContact OD2-CE 3.32Å; D961-K983 IonicContact OD2-NZ 3.46Å; D961-K983 PolarHBondContact OD2-NZ 3.43Å; L962-K983 HydrophobicContact CD2-CB 3.97Å; L962-K983 HydrophobicContact CD2-CD 4.34Å; L962-K983 HydrophobicContact CD2-CG 4.02Å; L962-K983 CarbonylContact O-C 3.51Å; L962-K983 VanDerWaalsContact O-C 3.23Å; L962-K983 WeakPolarHBondContact O-CB 3.43Å; W974-K983 HydrophobicContact CZ2-CB 3.94Å; W974-K983 HydrophobicContact CZ2-CD 3.94Å; W974-K983 HydrophobicContact CZ2-CG 4.47Å; E975-K983 WeakPolarHBondContact O-CD 3.25Å; E975-K983 VanDerWaalsContact O-CE 3.23Å; E975-K983 WeakPolarHBondContact O-CE 3.47Å; S976-K983 PolarHBondContact O-N 3.13Å; V978-K983 HydrophobicContact CB-CG 4.2Å; V978-K983 HydrophobicContact CG1-CG 3.85Å; K983-E985 VanDerWaalsContact C-N 3.29Å; K983-E985 PolarHBondContact O-N 2.78Å; K983-L986 WeakPolarHBondContact O-CB 3.36Å; K983-L986 PolarHBondContact O-N 3.37Å; K983-L987 PolarHBondContact O-N 3.26Å |
| 984 | R | 92.7 | Very high | 91.4 | Very high | 65 Ų | 65 | 51.7 Ų | 51.7 | 25% | 0.245 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -70.9 | -17.2 | 178.3 | -67 | 178.6 | -178.9 | 170.9 | -0.9 | 114.7 | L962 L963 P965 W974 R982 K988 L1011 | L962-R984 WeakPolarHBondContact O-CG 3.45Å; L962-R984 PolarHBondContact O-N 3.34Å; L963-R984 PolarHBondContact O-NE 3.18Å; L963-R984 PolarHBondContact O-NH2 3.14Å; P965-R984 PolarHBondContact O-NH2 3.36Å; W974-R984 HydrophobicContact CH2-CG 4.21Å; R982-R984 VanDerWaalsContact C-N 3.29Å; R982-R984 PolarHBondContact O-N 3.08Å; R984-K988 WeakPolarHBondContact O-CG 3.33Å; R984-K988 PolarHBondContact O-N 2.88Å; R984-L1011 HydrophobicContact CB-CD2 4.02Å; R984-L1011 HydrophobicContact CG-CD2 4.09Å |
| 985 | E | 92.7 | Very high | 91.4 | Very high | 86 Ų | 86 | 50.7 Ų | 50.7 | 40% | 0.402 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -82.6 | -41.5 | 173.4 | -70.7 | 171.2 | -177.6 | 0 | 0 | 110 | R982 K983 L987 K988 E989 | R982-E985 HydrophobicContact CB-CB 4.15Å; R982-E985 HydrophobicContact CB-CG 3.98Å; R982-E985 WeakPolarHBondContact CD-OE1 3.2Å; R982-E985 VanDerWaalsContact CD-OE2 3.31Å; R982-E985 WeakPolarHBondContact CD-OE2 3.23Å; R982-E985 IonicContact CZ-OE1 3.66Å; R982-E985 IonicContact NE-OE1 2.73Å; R982-E985 IonicContact NH1-OE1 2.84Å; R982-E985 PolarHBondContact NH1-OE1 3.33Å; R982-E985 PolarHBondContact O-N 3.08Å; K983-E985 VanDerWaalsContact C-N 3.29Å; K983-E985 PolarHBondContact O-N 2.78Å; E985-L987 VanDerWaalsContact C-N 3.28Å; E985-L987 PolarHBondContact O-N 2.84Å; E985-K988 WeakPolarHBondContact O-CB 3.31Å; E985-K988 PolarHBondContact O-N 3.4Å; E985-E989 PolarHBondContact O-N 3.32Å; E985-E989 VanDerWaalsContact O-N 3.16Å |
| 986 | L | 93.9 | Very high | 91.6 | Very high | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.2 | -41.4 | 168.8 | -65.1 | 171.2 | 0 | 0 | 0 | 111.8 | Y935 R936 L939 L962 V978 L981 R982 K983 K988 E989 L990 | Y935-L986 HydrophobicContact CE1-CD1 4.08Å; R936-L986 HydrophobicContact CB-CD2 4.11Å; R936-L986 HydrophobicContact CG-CD2 3.73Å; L939-L986 HydrophobicContact CD2-CD1 4.07Å; L962-L986 HydrophobicContact CD1-CB 4.27Å; L962-L986 HydrophobicContact CD2-CB 4.32Å; L962-L986 HydrophobicContact CD2-CD1 4.27Å; V978-L986 HydrophobicContact CG1-CD1 3.72Å; L981-L986 HydrophobicContact CB-CD1 4.26Å; L981-L986 HydrophobicContact CD1-CD2 4.12Å; R982-L986 PolarHBondContact O-N 3.32Å; K983-L986 WeakPolarHBondContact O-CB 3.36Å; K983-L986 PolarHBondContact O-N 3.37Å; L986-K988 VanDerWaalsContact C-N 3.32Å; L986-K988 PolarHBondContact O-N 3.07Å; L986-E989 PolarHBondContact O-N 2.88Å; L986-L990 WeakPolarHBondContact O-CD1 3.45Å; L986-L990 VanDerWaalsContact O-CG 3.28Å; L986-L990 WeakPolarHBondContact O-CG 3.41Å; L986-L990 PolarHBondContact O-N 2.87Å |
| 987 | L | 94.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.7 | -37.5 | 175.4 | -171 | 56.6 | 0 | 0 | 0 | 113 | C959 L962 L963 K983 E985 E989 L990 L991 L1011 | C959-L987 HydrophobicContact CB-CD1 4.17Å; L962-L987 HydrophobicContact CB-CB 4.01Å; L962-L987 HydrophobicContact CB-CD1 4.47Å; L963-L987 HydrophobicContact CB-CD2 3.71Å; L963-L987 HydrophobicContact CD1-CD2 4.04Å; L963-L987 HydrophobicContact CG-CD2 4.39Å; K983-L987 PolarHBondContact O-N 3.26Å; E985-L987 VanDerWaalsContact C-N 3.28Å; E985-L987 PolarHBondContact O-N 2.84Å; L987-E989 VanDerWaalsContact C-N 3.29Å; L987-E989 PolarHBondContact O-N 3.33Å; L987-L990 PolarHBondContact O-N 3Å; L987-L991 HydrophobicContact CG-CD1 4.45Å; L987-L991 WeakPolarHBondContact O-CG 3.19Å; L987-L991 PolarHBondContact O-N 2.99Å; L987-L1011 HydrophobicContact CB-CD1 4.42Å; L987-L1011 HydrophobicContact CD2-CD1 3.98Å; L987-L1011 HydrophobicContact CD2-CD2 4.31Å; L987-L1011 HydrophobicContact CD2-CG 4.17Å; L987-L1011 HydrophobicContact CG-CD1 4.01Å |
| 988 | K | 92.8 | Very high | 91.6 | Very high | 100 Ų | 100 | 53.9 Ų | 53.9 | 44% | 0.435 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.6 | -28.3 | 176.2 | -72.5 | 172 | -178.3 | -179.1 | 0 | 112.8 | R984 E985 L986 P992 L1011 | R984-K988 WeakPolarHBondContact O-CG 3.33Å; R984-K988 PolarHBondContact O-N 2.88Å; E985-K988 WeakPolarHBondContact O-CB 3.31Å; E985-K988 PolarHBondContact O-N 3.4Å; L986-K988 VanDerWaalsContact C-N 3.32Å; L986-K988 PolarHBondContact O-N 3.07Å; K988-P992 WeakPolarHBondContact O-CD 3.09Å; K988-L1011 HydrophobicContact CG-CD1 3.76Å |
| 989 | E | 92.6 | Very high | 91.5 | Very high | 66 Ų | 66 | 60.1 Ų | 60.1 | 31% | 0.308 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -78.4 | -27.9 | 172.5 | -64.5 | 180 | -141.7 | 0 | 0 | 112.9 | R936 L940 E985 L986 L987 | R936-E989 IonicContact CZ-OE1 2.98Å; R936-E989 IonicContact CZ-OE2 3.57Å; R936-E989 IonicContact NE-OE1 3.87Å; R936-E989 PolarHBondContact NE-OE1 2.87Å; R936-E989 VanDerWaalsContact NE-OE1 3.15Å; R936-E989 IonicContact NE-OE2 2.97Å; R936-E989 PolarHBondContact NE-OE2 2.99Å; R936-E989 IonicContact NH2-OE1 3.41Å; R936-E989 PolarHBondContact NH2-OE1 2.99Å; R936-E989 IonicContact NH2-OE2 2.75Å; R936-E989 PolarHBondContact NH2-OE2 2.85Å; L940-E989 HydrophobicContact CD2-CB 3.94Å; E985-E989 PolarHBondContact O-N 3.32Å; E985-E989 VanDerWaalsContact O-N 3.16Å; L986-E989 PolarHBondContact O-N 2.88Å; L987-E989 VanDerWaalsContact C-N 3.29Å; L987-E989 PolarHBondContact O-N 3.33Å |
| 990 | L | 92.6 | Very high | 91.8 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -77.4 | -37.7 | 177.4 | -73.4 | 163.5 | 0 | 0 | 0 | 112.8 | L940 A943 I958 L962 L986 L987 V993 I994 | L940-L990 HydrophobicContact CD2-CD2 3.8Å; L940-L990 HydrophobicContact CD2-CG 3.96Å; A943-L990 HydrophobicContact CB-CD2 3.19Å; I958-L990 HydrophobicContact CG2-CD1 4.35Å; L962-L990 HydrophobicContact CD1-CD1 3.26Å; L986-L990 WeakPolarHBondContact O-CD1 3.45Å; L986-L990 VanDerWaalsContact O-CG 3.28Å; L986-L990 WeakPolarHBondContact O-CG 3.41Å; L986-L990 PolarHBondContact O-N 2.87Å; L987-L990 PolarHBondContact O-N 3Å; L990-V993 WeakPolarHBondContact O-CA 3.31Å; L990-V993 VanDerWaalsContact O-CB 3.31Å; L990-V993 WeakPolarHBondContact O-CB 3.01Å; L990-V993 PolarHBondContact O-N 3.11Å; L990-I994 WeakPolarHBondContact O-CG1 3.09Å; L990-I994 PolarHBondContact O-N 3.05Å; L990-I994 VanDerWaalsContact O-N 3.1Å |
| 991 | L | 92.9 | Very high | 91.9 | Very high | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.3 | -42.6 | -176.1 | -78.9 | 169.8 | 0 | 0 | 0 | 114.6 | L987 V993 I994 G995 F1004 C1007 Q1008 L1011 | L987-L991 HydrophobicContact CG-CD1 4.45Å; L987-L991 WeakPolarHBondContact O-CG 3.19Å; L987-L991 PolarHBondContact O-N 2.99Å; L991-V993 PolarHBondContact O-N 3.15Å; L991-I994 HydrophobicContact CD2-CD1 4.44Å; L991-I994 PolarHBondContact O-N 2.74Å; L991-I994 VanDerWaalsContact O-N 3.13Å; L991-G995 PolarHBondContact O-N 3.27Å; L991-F1004 HydrophobicContact CB-CD2 4.04Å; L991-F1004 HydrophobicContact CB-CE2 3.96Å; L991-F1004 HydrophobicContact CD2-CD2 3.77Å; L991-F1004 HydrophobicContact CD2-CE2 4.38Å; L991-F1004 HydrophobicContact CD2-CG 4.42Å; L991-F1004 HydrophobicContact CG-CD2 4.49Å; L991-F1004 VanDerWaalsContact O-CD2 3.25Å; L991-F1004 WeakPolarHBondContact O-CD2 3.3Å; L991-F1004 WeakPolarHBondContact O-CE2 3.48Å; L991-C1007 HydrophobicContact CD1-CB 4.49Å; L991-C1007 HydrophobicContact CD2-CB 3.79Å; L991-Q1008 HydrophobicContact CD1-CB 4.49Å; L991-L1011 HydrophobicContact CD1-CD1 3.6Å |
| 992 | P | 92 | Very high | 91.9 | Very high | 75 Ų | 75 | 68.7 Ų | 68.7 | 49% | 0.487 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58 | -26.1 | 172.8 | -27.9 | 35.9 | 0 | 0 | 0 | 114.7 | K988 Q996 | K988-P992 WeakPolarHBondContact O-CD 3.09Å; P992-Q996 VanDerWaalsContact O-CG 3.32Å; P992-Q996 WeakPolarHBondContact O-CG 3.29Å; P992-Q996 PolarHBondContact O-NE2 2.86Å |
| 993 | V | 89.9 | Confident | 91.8 | Very high | 13 Ų | 13 | 61.7 Ų | 61.7 | 8% | 0.079 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -77.4 | -49.2 | 172.9 | 178.3 | 0 | 0 | 0 | 0 | 110.1 | R944 V947 L990 L991 G995 Q996 | R944-V993 HydrophobicContact CB-CG1 4.22Å; R944-V993 HydrophobicContact CG-CB 4.35Å; R944-V993 HydrophobicContact CG-CG1 3.48Å; R944-V993 VanDerWaalsContact CG-CG1 3.48Å; R944-V993 HydrophobicContact CG-CG2 3.91Å; V947-V993 HydrophobicContact CB-CG1 4.18Å; V947-V993 HydrophobicContact CG1-CG1 4.23Å; V947-V993 HydrophobicContact CG2-CG1 4.16Å; L990-V993 WeakPolarHBondContact O-CA 3.31Å; L990-V993 VanDerWaalsContact O-CB 3.31Å; L990-V993 WeakPolarHBondContact O-CB 3.01Å; L990-V993 PolarHBondContact O-N 3.11Å; L991-V993 PolarHBondContact O-N 3.15Å; V993-G995 VanDerWaalsContact C-N 3.26Å; V993-G995 PolarHBondContact O-N 2.87Å; V993-Q996 WeakPolarHBondContact O-CB 3.31Å; V993-Q996 PolarHBondContact O-N 3.3Å; V993-Q996 VanDerWaalsContact O-N 3.08Å |
| 994 | I | 92.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.1 | -40.8 | -178.8 | -59.5 | 174.5 | 0 | 0 | 0 | 110.6 | V947 L955 C959 L990 L991 Q996 N997 F1000 L1003 F1004 | V947-I994 HydrophobicContact CG2-CG1 4.02Å; L955-I994 HydrophobicContact CD1-CD1 4.1Å; L955-I994 HydrophobicContact CD1-CG1 4.17Å; L955-I994 HydrophobicContact CD2-CG1 4.29Å; L955-I994 HydrophobicContact CD2-CG2 4.44Å; L955-I994 HydrophobicContact CG-CD1 4.39Å; C959-I994 VanDerWaalsContact SG-CD1 3.51Å; L990-I994 WeakPolarHBondContact O-CG1 3.09Å; L990-I994 PolarHBondContact O-N 3.05Å; L990-I994 VanDerWaalsContact O-N 3.1Å; L991-I994 HydrophobicContact CD2-CD1 4.44Å; L991-I994 PolarHBondContact O-N 2.74Å; L991-I994 VanDerWaalsContact O-N 3.13Å; I994-Q996 VanDerWaalsContact C-N 3.28Å; I994-Q996 PolarHBondContact O-N 2.86Å; I994-N997 PolarHBondContact O-N 2.86Å; I994-F1000 HydrophobicContact CG2-CB 3.6Å; I994-F1000 HydrophobicContact CG2-CG 4.49Å; I994-L1003 HydrophobicContact CG2-CD2 4.45Å; I994-F1004 HydrophobicContact CG2-CB 4.11Å |
| 995 | G | 89.2 | Confident | 91.8 | Very high | 37 Ų | 37 | 63.1 Ų | 63.1 | 38% | 0.381 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -13.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | L991 V993 N997 | L991-G995 PolarHBondContact O-N 3.27Å; V993-G995 VanDerWaalsContact C-N 3.26Å; V993-G995 PolarHBondContact O-N 2.87Å; G995-N997 VanDerWaalsContact C-N 3.33Å |
| 996 | Q | 89.1 | Confident | 91.8 | Very high | 154 Ų | 154 | 62.4 Ų | 62.4 | 72% | 0.72 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -23.7 | 175.1 | -75.1 | 163 | 43.2 | 0 | 0 | 112.7 | P992 V993 I994 | P992-Q996 VanDerWaalsContact O-CG 3.32Å; P992-Q996 WeakPolarHBondContact O-CG 3.29Å; P992-Q996 PolarHBondContact O-NE2 2.86Å; V993-Q996 WeakPolarHBondContact O-CB 3.31Å; V993-Q996 PolarHBondContact O-N 3.3Å; V993-Q996 VanDerWaalsContact O-N 3.08Å; I994-Q996 VanDerWaalsContact C-N 3.28Å; I994-Q996 PolarHBondContact O-N 2.86Å |
| 997 | N | 89.6 | Confident | 91.6 | Very high | 47 Ų | 47 | 62.5 Ų | 62.5 | 25% | 0.251 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -104.1 | 114.5 | 178.3 | -172.6 | -18.5 | 0 | 0 | 0 | 110.6 | V947 I994 G995 R999 F1000 | V947-N997 HydrophobicContact CG1-CB 3.73Å; V947-N997 PolarHBondContact O-ND2 2.83Å; I994-N997 PolarHBondContact O-N 2.86Å; G995-N997 VanDerWaalsContact C-N 3.33Å; N997-R999 PolarHBondContact O-N 2.74Å; N997-R999 VanDerWaalsContact OD1-CB 3.28Å; N997-R999 WeakPolarHBondContact OD1-CB 3.32Å; N997-R999 PolarHBondContact OD1-N 3.45Å; N997-F1000 HydrophobicContact CB-CD2 4.1Å; N997-F1000 PolarHBondContact O-N 2.95Å |
| 998 | L | 89.6 | Confident | 91.5 | Very high | 143 Ų | 143 | 65.5 Ų | 65.5 | 75% | 0.749 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -51.6 | -30.4 | 178.5 | -64.6 | 175.3 | 0 | 0 | 0 | 113.5 | F1000 Q1001 | L998-F1000 PolarHBondContact O-N 3.15Å; L998-Q1001 WeakPolarHBondContact O-CB 3.32Å; L998-Q1001 PolarHBondContact O-N 2.73Å |
| 999 | R | 91 | Very high | 91.4 | Very high | 150 Ų | 150 | 66.3 Ų | 66.3 | 57% | 0.566 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -58.1 | -31.3 | 175.6 | -177.2 | 174.3 | 174 | -172.4 | -9.3 | 112.9 | G950 N997 | G950-R999 PolarHBondContact O-NH1 2.93Å; G950-R999 VanDerWaalsContact O-NH1 3.08Å; G950-R999 PolarHBondContact O-NH2 2.83Å; N997-R999 PolarHBondContact O-N 2.74Å; N997-R999 VanDerWaalsContact OD1-CB 3.28Å; N997-R999 WeakPolarHBondContact OD1-CB 3.32Å; N997-R999 PolarHBondContact OD1-N 3.45Å |
| 1000 | F | 93.7 | Very high | 91.3 | Very high | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.009 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -105 | 8.5 | -175.8 | -61.4 | -60.1 | 0 | 0 | 0 | 114.2 | V947 E952 L955 I994 N997 L998 R1002 L1003 F1004 | V947-F1000 HydrophobicContact CG1-CD2 4.3Å; V947-F1000 HydrophobicContact CG2-CD2 4.35Å; E952-F1000 HydrophobicContact CB-CE1 3.73Å; E952-F1000 HydrophobicContact CB-CZ 4.45Å; E952-F1000 HydrophobicContact CG-CD1 4.41Å; E952-F1000 HydrophobicContact CG-CE1 3.87Å; L955-F1000 HydrophobicContact CD2-CD1 4.03Å; L955-F1000 HydrophobicContact CD2-CD2 4.06Å; L955-F1000 HydrophobicContact CD2-CE1 4.15Å; L955-F1000 HydrophobicContact CD2-CE2 4.18Å; L955-F1000 HydrophobicContact CD2-CG 3.99Å; L955-F1000 HydrophobicContact CD2-CZ 4.21Å; I994-F1000 HydrophobicContact CG2-CB 3.6Å; I994-F1000 HydrophobicContact CG2-CG 4.49Å; N997-F1000 HydrophobicContact CB-CD2 4.1Å; N997-F1000 PolarHBondContact O-N 2.95Å; L998-F1000 PolarHBondContact O-N 3.15Å; F1000-R1002 PolarHBondContact O-N 3.05Å; F1000-R1002 VanDerWaalsContact O-N 3.11Å; F1000-L1003 PolarHBondContact O-N 3Å; F1000-F1004 PolarHBondContact O-N 2.81Å |
| 1001 | Q | 90.6 | Very high | 91 | Very high | 119 Ų | 119 | 66.1 Ų | 66.1 | 56% | 0.556 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -52.1 | -38.3 | 179.8 | -169.7 | 178 | 16.9 | 0 | 0 | 112.8 | L998 F1004 T1005 | L998-Q1001 WeakPolarHBondContact O-CB 3.32Å; L998-Q1001 PolarHBondContact O-N 2.73Å; Q1001-F1004 PolarHBondContact O-N 3.16Å; Q1001-T1005 PolarHBondContact O-N 3.03Å; Q1001-T1005 PolarHBondContact O-OG1 2.79Å |
| 1002 | R | 90.9 | Very high | 90.8 | Very high | 205 Ų | 205 | 68.7 Ų | 68.7 | 77% | 0.774 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -65.2 | -42.6 | 175.8 | -176.2 | 176.9 | 177.6 | 175.9 | 1.2 | 113.2 | F1000 T1005 E1006 | F1000-R1002 PolarHBondContact O-N 3.05Å; F1000-R1002 VanDerWaalsContact O-N 3.11Å; R1002-T1005 PolarHBondContact O-N 3.27Å; R1002-E1006 VanDerWaalsContact O-CB 3.25Å; R1002-E1006 WeakPolarHBondContact O-CB 3.39Å; R1002-E1006 PolarHBondContact O-N 2.67Å |
| 1003 | L | 91.4 | Very high | 90.5 | Very high | 3 Ų | 3 | 69.1 Ų | 69.1 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.2 | -38.7 | 177.6 | 176.4 | 63.2 | 0 | 0 | 0 | 110.9 | L955 R956 C959 I994 F1000 C1007 | L955-L1003 HydrophobicContact CD2-CD2 3.94Å; L955-L1003 HydrophobicContact CG-CD2 3.94Å; R956-L1003 HydrophobicContact CB-CD1 4.38Å; R956-L1003 HydrophobicContact CB-CD2 4.42Å; R956-L1003 HydrophobicContact CG-CD1 4.16Å; C959-L1003 HydrophobicContact CB-CD1 4.44Å; I994-L1003 HydrophobicContact CG2-CD2 4.45Å; F1000-L1003 PolarHBondContact O-N 3Å; L1003-C1007 WeakPolarHBondContact O-CB 3.48Å; L1003-C1007 PolarHBondContact O-N 2.75Å; L1003-C1007 PolarHBondContact O-SG 2.98Å |
| 1004 | F | 94.3 | Very high | 90 | Very high | 60 Ų | 60 | 70 Ų | 70 | 26% | 0.263 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57 | -53.2 | 172.3 | 170.4 | -92.7 | 0 | 0 | 0 | 111.4 | L991 I994 F1000 Q1001 C1007 Q1008 | L991-F1004 HydrophobicContact CB-CD2 4.04Å; L991-F1004 HydrophobicContact CB-CE2 3.96Å; L991-F1004 HydrophobicContact CD2-CD2 3.77Å; L991-F1004 HydrophobicContact CD2-CE2 4.38Å; L991-F1004 HydrophobicContact CD2-CG 4.42Å; L991-F1004 HydrophobicContact CG-CD2 4.49Å; L991-F1004 VanDerWaalsContact O-CD2 3.25Å; L991-F1004 WeakPolarHBondContact O-CD2 3.3Å; L991-F1004 WeakPolarHBondContact O-CE2 3.48Å; I994-F1004 HydrophobicContact CG2-CB 4.11Å; F1000-F1004 PolarHBondContact O-N 2.81Å; Q1001-F1004 PolarHBondContact O-N 3.16Å; F1004-C1007 PolarHBondContact O-N 2.97Å; F1004-Q1008 VanDerWaalsContact O-CB 3.28Å; F1004-Q1008 WeakPolarHBondContact O-CB 3.17Å; F1004-Q1008 PolarHBondContact O-N 2.91Å |
| 1005 | T | 92.5 | Very high | 89 | Confident | 57 Ų | 57 | 78.5 Ų | 78.5 | 35% | 0.35 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.3 | -48.5 | 178.3 | -61 | 0 | 0 | 0 | 0 | 111.8 | Q1001 R1002 C1007 Q1008 E1009 | Q1001-T1005 PolarHBondContact O-N 3.03Å; Q1001-T1005 PolarHBondContact O-OG1 2.79Å; R1002-T1005 PolarHBondContact O-N 3.27Å; T1005-C1007 VanDerWaalsContact C-N 3.29Å; T1005-C1007 PolarHBondContact O-N 2.91Å; T1005-Q1008 PolarHBondContact O-N 2.9Å; T1005-E1009 HydrophobicContact CG2-CG 4.15Å; T1005-E1009 VanDerWaalsContact CG2-OE1 3.23Å; T1005-E1009 WeakPolarHBondContact CG2-OE1 3.31Å; T1005-E1009 WeakPolarHBondContact O-CB 3.3Å; T1005-E1009 WeakPolarHBondContact O-CG 3.37Å; T1005-E1009 PolarHBondContact O-N 3.3Å |
| 1006 | E | 92 | Very high | 87.4 | Confident | 70 Ų | 70 | 83.8 Ų | 83.8 | 33% | 0.327 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -55.1 | -40.9 | 179.6 | 179.6 | -177.7 | 167.4 | 0 | 0 | 112.8 | R956 R1002 Q1010 | R956-E1006 IonicContact CZ-OE2 3.15Å; R956-E1006 VanDerWaalsContact NH1-CD 3.32Å; R956-E1006 IonicContact NH1-OE1 2.79Å; R956-E1006 PolarHBondContact NH1-OE1 2.98Å; R956-E1006 IonicContact NH1-OE2 2.73Å; R956-E1006 PolarHBondContact NH1-OE2 3.41Å; R956-E1006 IonicContact NH2-OE2 3.16Å; R1002-E1006 VanDerWaalsContact O-CB 3.25Å; R1002-E1006 WeakPolarHBondContact O-CB 3.39Å; R1002-E1006 PolarHBondContact O-N 2.67Å; E1006-Q1010 WeakPolarHBondContact O-CG 3.14Å; E1006-Q1010 PolarHBondContact O-NE2 2.89Å |
| 1007 | C | 91.2 | Very high | 85.6 | Confident | 6 Ų | 6 | 84.9 Ų | 84.9 | 4% | 0.041 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -81.7 | -33.6 | 178.5 | -70.7 | 0 | 0 | 0 | 0 | 113.4 | L991 L1003 F1004 T1005 L1011 | L991-C1007 HydrophobicContact CD1-CB 4.49Å; L991-C1007 HydrophobicContact CD2-CB 3.79Å; L1003-C1007 WeakPolarHBondContact O-CB 3.48Å; L1003-C1007 PolarHBondContact O-N 2.75Å; L1003-C1007 PolarHBondContact O-SG 2.98Å; F1004-C1007 PolarHBondContact O-N 2.97Å; T1005-C1007 VanDerWaalsContact C-N 3.29Å; T1005-C1007 PolarHBondContact O-N 2.91Å; C1007-L1011 WeakPolarHBondContact O-CB 3.39Å; C1007-L1011 WeakPolarHBondContact O-CG 3.39Å; C1007-L1011 PolarHBondContact O-N 3.33Å; C1007-L1011 VanDerWaalsContact O-N 3.07Å |
| 1008 | Q | 91.9 | Very high | 85.4 | Confident | 63 Ų | 63 | 86.8 Ų | 86.8 | 29% | 0.294 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.7 | -50.1 | 176.6 | -178.3 | 62.2 | 47.6 | 0 | 0 | 111 | L991 F1004 T1005 Q1010 L1011 D1012 | L991-Q1008 HydrophobicContact CD1-CB 4.49Å; F1004-Q1008 VanDerWaalsContact O-CB 3.28Å; F1004-Q1008 WeakPolarHBondContact O-CB 3.17Å; F1004-Q1008 PolarHBondContact O-N 2.91Å; T1005-Q1008 PolarHBondContact O-N 2.9Å; Q1008-Q1010 VanDerWaalsContact C-N 3.3Å; Q1008-Q1010 PolarHBondContact O-N 2.81Å; Q1008-L1011 PolarHBondContact O-N 3.03Å; Q1008-L1011 VanDerWaalsContact O-N 3.1Å; Q1008-D1012 PolarHBondContact NE2-OD1 3.33Å; Q1008-D1012 PolarHBondContact NE2-OD2 3.4Å; Q1008-D1012 PolarHBondContact O-N 3.28Å |
| 1009 | E | 90.9 | Very high | 85.2 | Confident | 118 Ų | 118 | 83.8 Ų | 83.8 | 55% | 0.551 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -55.5 | -45.2 | 177.4 | -72.6 | 174.8 | 176.6 | 0 | 0 | 111.5 | T1005 L1011 D1012 I1013 | T1005-E1009 HydrophobicContact CG2-CG 4.15Å; T1005-E1009 VanDerWaalsContact CG2-OE1 3.23Å; T1005-E1009 WeakPolarHBondContact CG2-OE1 3.31Å; T1005-E1009 WeakPolarHBondContact O-CB 3.3Å; T1005-E1009 WeakPolarHBondContact O-CG 3.37Å; T1005-E1009 PolarHBondContact O-N 3.3Å; E1009-L1011 PolarHBondContact O-N 3.38Å; E1009-D1012 PolarHBondContact O-N 2.74Å; E1009-I1013 WeakPolarHBondContact O-CD1 3.48Å; E1009-I1013 VanDerWaalsContact O-CG1 3.26Å; E1009-I1013 WeakPolarHBondContact O-CG1 3.17Å; E1009-I1013 PolarHBondContact O-N 3.38Å |
| 1010 | Q | 88.6 | Confident | 84.9 | Confident | 59 Ų | 59 | 80.1 Ų | 80.1 | 28% | 0.276 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -69.1 | -32.2 | 179.1 | -71.8 | 176.2 | 65.4 | 0 | 0 | 113 | L963 V966 E1006 Q1008 L1014 | L963-Q1010 HydrophobicContact CD1-CB 4.29Å; L963-Q1010 HydrophobicContact CD2-CB 3.79Å; L963-Q1010 HydrophobicContact CD2-CG 4.48Å; V966-Q1010 HydrophobicContact CG2-CB 4.19Å; V966-Q1010 HydrophobicContact CG2-CG 4.23Å; E1006-Q1010 WeakPolarHBondContact O-CG 3.14Å; E1006-Q1010 PolarHBondContact O-NE2 2.89Å; Q1008-Q1010 VanDerWaalsContact C-N 3.3Å; Q1008-Q1010 PolarHBondContact O-N 2.81Å; Q1010-L1014 WeakPolarHBondContact O-CB 3.41Å; Q1010-L1014 VanDerWaalsContact O-CD1 3.3Å; Q1010-L1014 WeakPolarHBondContact O-CD1 3.44Å; Q1010-L1014 VanDerWaalsContact O-CG 3.23Å; Q1010-L1014 WeakPolarHBondContact O-CG 3.36Å; Q1010-L1014 PolarHBondContact O-N 2.98Å |
| 1011 | L | 88.1 | Confident | 84.4 | Confident | 4 Ų | 4 | 84.7 Ų | 84.7 | 2% | 0.021 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -70.1 | -34.5 | 173.3 | -82.4 | 177.8 | 0 | 0 | 0 | 113.2 | L963 R984 L987 K988 L991 C1007 Q1008 E1009 L1014 R1015 | L963-L1011 HydrophobicContact CD1-CD2 3.7Å; L963-L1011 HydrophobicContact CD1-CG 3.89Å; R984-L1011 HydrophobicContact CB-CD2 4.02Å; R984-L1011 HydrophobicContact CG-CD2 4.09Å; L987-L1011 HydrophobicContact CB-CD1 4.42Å; L987-L1011 HydrophobicContact CD2-CD1 3.98Å; L987-L1011 HydrophobicContact CD2-CD2 4.31Å; L987-L1011 HydrophobicContact CD2-CG 4.17Å; L987-L1011 HydrophobicContact CG-CD1 4.01Å; K988-L1011 HydrophobicContact CG-CD1 3.76Å; L991-L1011 HydrophobicContact CD1-CD1 3.6Å; C1007-L1011 WeakPolarHBondContact O-CB 3.39Å; C1007-L1011 WeakPolarHBondContact O-CG 3.39Å; C1007-L1011 PolarHBondContact O-N 3.33Å; C1007-L1011 VanDerWaalsContact O-N 3.07Å; Q1008-L1011 PolarHBondContact O-N 3.03Å; Q1008-L1011 VanDerWaalsContact O-N 3.1Å; E1009-L1011 PolarHBondContact O-N 3.38Å; L1011-L1014 CarbonylContact O-C 3.46Å; L1011-L1014 PolarHBondContact O-N 2.87Å; L1011-R1015 PolarHBondContact O-N 3.11Å |
| 1012 | D | 87.1 | Confident | 84 | Confident | 57 Ų | 57 | 82.6 Ų | 82.6 | 31% | 0.305 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -76 | -37.3 | 177.3 | -69.7 | -38.5 | 0 | 0 | 0 | 111.5 | Q1008 E1009 L1014 R1015 D1016 | Q1008-D1012 PolarHBondContact NE2-OD1 3.33Å; Q1008-D1012 PolarHBondContact NE2-OD2 3.4Å; Q1008-D1012 PolarHBondContact O-N 3.28Å; E1009-D1012 PolarHBondContact O-N 2.74Å; D1012-L1014 PolarHBondContact O-N 3.45Å; D1012-L1014 VanDerWaalsContact O-N 3.08Å; D1012-R1015 WeakPolarHBondContact O-CA 3.44Å; D1012-R1015 VanDerWaalsContact O-CB 3.3Å; D1012-R1015 WeakPolarHBondContact O-CB 3.48Å; D1012-R1015 PolarHBondContact O-N 3.21Å; D1012-D1016 PolarHBondContact O-N 3.2Å |
| 1013 | I | 85.9 | Confident | 83.5 | Confident | 83 Ų | 83 | 74.4 Ų | 74.4 | 43% | 0.426 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -21.8 | 167.1 | -69.8 | 164.8 | 0 | 0 | 0 | 112.6 | V966 E1009 | V966-I1013 HydrophobicContact CG1-CG2 3.98Å; E1009-I1013 WeakPolarHBondContact O-CD1 3.48Å; E1009-I1013 VanDerWaalsContact O-CG1 3.26Å; E1009-I1013 WeakPolarHBondContact O-CG1 3.17Å; E1009-I1013 PolarHBondContact O-N 3.38Å |
| 1014 | L | 79.4 | Confident | 82.9 | Confident | 32 Ų | 32 | 79.5 Ų | 79.5 | 17% | 0.168 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 12.3 | 175.9 | -70.6 | 168.5 | 0 | 0 | 0 | 113.4 | L963 V966 Q1010 L1011 D1012 | L963-L1014 HydrophobicContact CD1-CD1 3.98Å; V966-L1014 HydrophobicContact CB-CD1 4.48Å; V966-L1014 HydrophobicContact CG1-CD1 4.41Å; V966-L1014 HydrophobicContact CG1-CD2 4.27Å; V966-L1014 HydrophobicContact CG1-CG 4.2Å; V966-L1014 HydrophobicContact CG2-CD1 4.16Å; Q1010-L1014 WeakPolarHBondContact O-CB 3.41Å; Q1010-L1014 VanDerWaalsContact O-CD1 3.3Å; Q1010-L1014 WeakPolarHBondContact O-CD1 3.44Å; Q1010-L1014 VanDerWaalsContact O-CG 3.23Å; Q1010-L1014 WeakPolarHBondContact O-CG 3.36Å; Q1010-L1014 PolarHBondContact O-N 2.98Å; L1011-L1014 CarbonylContact O-C 3.46Å; L1011-L1014 PolarHBondContact O-N 2.87Å; D1012-L1014 PolarHBondContact O-N 3.45Å; D1012-L1014 VanDerWaalsContact O-N 3.08Å |
| 1015 | R | 72.4 | Confident | 82.1 | Confident | 180 Ų | 180 | 81 Ų | 81 | 68% | 0.679 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.3 | -28.3 | 172.5 | -169.5 | -177.5 | -174.7 | 175.9 | -1.6 | 112.1 | L1011 D1012 K1017 | L1011-R1015 PolarHBondContact O-N 3.11Å; D1012-R1015 WeakPolarHBondContact O-CA 3.44Å; D1012-R1015 VanDerWaalsContact O-CB 3.3Å; D1012-R1015 WeakPolarHBondContact O-CB 3.48Å; D1012-R1015 PolarHBondContact O-N 3.21Å; R1015-K1017 PolarHBondContact O-N 3.38Å |
| 1016 | D | 55.4 | Low | 81.2 | Confident | 147 Ų | 147 | 83 Ų | 83 | 79% | 0.786 | 39% | 0.387 | S | S | * | . | trans | -85.1 | 20.9 | 175.1 | -62.8 | -18.8 | 0 | 0 | 0 | 113 | D1012 | D1012-D1016 PolarHBondContact O-N 3.2Š| ||
| 1017 | K | 51.4 | Low | 80.2 | Confident | 177 Ų | 177 | 84.2 Ų | 84.2 | 77% | 0.77 | 39% | 0.392 | S | S | * | . | trans | -141.1 | 0 | 179.6 | -64.7 | 177 | -171.9 | 160.1 | 0 | 110.9 | R1015 | R1015-K1017 PolarHBondContact O-N 3.38Š|
Retrieved 1,017 of 1,017 residues in 340.3 ms
(Link to these results)