| 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 | 67.7 | Low | 90.3 | Very high | 125 Ų | 125 | 71.5 Ų | 71.5 | 62% | 0.616 | 39% | 0.387 | S | S | * | . | 0 | 127.6 | 0 | -69.1 | 168.3 | 74.2 | 0 | 0 | 106.5 | E3 S56 R57 H147 T148 | M1-E3 PolarHBondContact O-N 3.03Å; M1-S56 WeakPolarHBondContact CE-OG 3.26Å; M1-R57 HydrophobicContact CE-CB 3.91Å; M1-H147 HydrophobicContact CB-CB 4.27Å; M1-H147 HydrophobicContact CE-CB 4.21Å; M1-T148 WeakPolarHBondContact CB-O 3.39Å | |||
| 2 | P | 85.2 | Confident | 90.7 | Very high | 67 Ų | 67 | 73.4 Ų | 73.4 | 44% | 0.435 | 39% | 0.389 | S | S | . | . | trans | -69 | 130.7 | -177.9 | -7.7 | 20.6 | 0 | 0 | 0 | 110.6 | H147 T148 | P2-H147 WeakPolarHBondContact O-CA 3.47Å; P2-T148 WeakPolarHBondContact CB-OG1 3.27Å; P2-T148 WeakPolarHBondContact CD-O 3.43Å; P2-T148 WeakPolarHBondContact CD-OG1 3.36Å; P2-T148 WeakPolarHBondContact CG-OG1 3.24Å; P2-T148 PolarHBondContact O-N 3.38Å; P2-T148 PolarHBondContact O-OG1 3.3Å; P2-T148 VanDerWaalsContact O-OG1 3.05Å | ||
| 3 | E | 89.1 | Confident | 91 | Very high | 102 Ų | 102 | 74 Ų | 74 | 48% | 0.477 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 137.4 | 170.5 | -171.9 | -178.6 | 159.2 | 0 | 0 | 109.8 | M1 F145 F146 | M1-E3 PolarHBondContact O-N 3.03Å; E3-F145 WeakPolarHBondContact OE1-CD1 3.4Å; E3-F146 CarbonylContact C-O 3.52Å; E3-F146 WeakPolarHBondContact CA-O 3.44Å |
| 4 | V | 91.3 | Very high | 91.2 | Very high | 31 Ų | 31 | 70.1 Ų | 70.1 | 19% | 0.188 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 128.1 | 176.4 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | F49 V53 F146 T148 | V4-F49 HydrophobicContact CB-CE1 4.48Å; V4-F49 HydrophobicContact CG1-CD1 3.73Å; V4-F49 HydrophobicContact CG1-CE1 3.82Å; V4-V53 HydrophobicContact CB-CG1 4.41Å; V4-V53 HydrophobicContact CG1-CG1 4.3Å; V4-V53 HydrophobicContact CG1-CG2 3.85Å; V4-V53 HydrophobicContact CG2-CG1 4.14Å; V4-F146 PolarHBondContact N-O 3.45Å; V4-T148 HydrophobicContact CG2-CG2 3.41Å; V4-T148 VanDerWaalsContact CG2-CG2 3.41Å |
| 5 | V | 92.6 | Very high | 91.3 | Very high | 83 Ų | 83 | 69.4 Ų | 69.4 | 50% | 0.503 | 37% | 0.372 | S | S | . | . | trans | -100 | 131.9 | -177.5 | -174.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 6 | P | 94.3 | Very high | 91.4 | Very high | 9 Ų | 9 | 67.3 Ų | 67.3 | 6% | 0.058 | 36% | 0.361 | C | S | . | . | trans | -64.3 | 143.4 | 172.4 | 26.3 | -33.7 | 0 | 0 | 0 | 111.4 | L25 L47 S48 F49 F146 | P6-L25 HydrophobicContact CB-CD2 3.92Å; P6-L25 HydrophobicContact CG-CD2 3.78Å; P6-L47 HydrophobicContact CB-CB 3.96Å; P6-L47 HydrophobicContact CB-CD1 4.32Å; P6-L47 HydrophobicContact CG-CD1 4.06Å; P6-S48 CarbonylContact C-O 3.58Å; P6-S48 WeakPolarHBondContact CA-O 3.26Å; P6-F49 HydrophobicContact CB-CD1 4.34Å; P6-F49 HydrophobicContact CB-CE1 4.12Å; P6-F146 HydrophobicContact CG-CE2 4.14Å | ||
| 7 | S | 93.4 | Very high | 91.4 | Very high | 63 Ų | 63 | 75.5 Ų | 75.5 | 44% | 0.441 | 39% | 0.392 | S | S | . | . | trans | -82.1 | -39.5 | -175.1 | 61.3 | 0 | 0 | 0 | 0 | 113.5 | S48 | S7-S48 PolarHBondContact N-O 3.45Å; S7-S48 PolarHBondContact OG-O 3.17Å; S7-S48 PolarHBondContact OG-OG 2.91Å | ||
| 8 | R | 94.9 | Very high | 91.3 | Very high | 163 Ų | 163 | 74.9 Ų | 74.9 | 62% | 0.615 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 162.4 | -179.7 | 63 | 173.2 | -177.5 | -177.1 | 1.9 | 112.5 | L47 S48 | R8-L47 WeakPolarHBondContact O-CA 3.39Å; R8-S48 WeakPolarHBondContact CG-OG 3.4Å; R8-S48 PolarHBondContact O-N 3.22Å |
| 9 | V | 96.1 | Very high | 91.4 | Very high | 33 Ų | 33 | 75.1 Ų | 75.1 | 20% | 0.2 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 129.4 | 165.8 | -174.8 | 0 | 0 | 0 | 0 | 108.7 | F12 A21 L25 V45 L47 | V9-F12 HydrophobicContact CG1-CD1 4Å; V9-A21 HydrophobicContact CG1-CB 3.91Å; V9-A21 HydrophobicContact CG2-CB 4.16Å; V9-L25 HydrophobicContact CG2-CD1 4.13Å; V9-L25 HydrophobicContact CG2-CD2 4.31Å; V9-L25 HydrophobicContact CG2-CG 4.16Å; V9-V45 HydrophobicContact CG1-CG2 4.1Å; V9-L47 HydrophobicContact CB-CD2 4.33Å; V9-L47 HydrophobicContact CG1-CD2 4.45Å; V9-L47 HydrophobicContact CG2-CD2 3.79Å |
| 10 | V | 94.5 | Very high | 91.6 | Very high | 58 Ų | 58 | 72.8 Ų | 72.8 | 35% | 0.352 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -48.1 | -179.7 | 177.8 | 0 | 0 | 0 | 0 | 111.1 | E46 L124 | V10-E46 HydrophobicContact CB-CB 4.32Å; V10-E46 HydrophobicContact CB-CG 4.16Å; V10-E46 VanDerWaalsContact CG1-OE2 3.28Å; V10-E46 WeakPolarHBondContact CG1-OE2 3.36Å; V10-E46 PolarHBondContact N-O 3.49Å; V10-L124 HydrophobicContact CB-CD2 4.46Å; V10-L124 HydrophobicContact CG2-CD2 3.61Å |
| 11 | S | 94.4 | Very high | 91.7 | Very high | 53 Ų | 53 | 69.3 Ų | 69.3 | 37% | 0.371 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 156.7 | 180 | 64.3 | 0 | 0 | 0 | 0 | 110.9 | E46 | S11-E46 PolarHBondContact O-N 3.28Å; S11-E46 WeakPolarHBondContact OG-CB 3.44Å; S11-E46 PolarHBondContact OG-OE2 3.19Å |
| 12 | F | 95 | Very high | 92.9 | Very high | 94 Ų | 94 | 66.2 Ų | 66.2 | 41% | 0.412 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 156 | 170.9 | 54.5 | -94.8 | 0 | 0 | 0 | 109.7 | V9 E15 A21 A44 V45 | V9-F12 HydrophobicContact CG1-CD1 4Å; F12-E15 HydrophobicContact CD2-CB 4.31Å; F12-E15 HydrophobicContact CD2-CG 4.11Å; F12-E15 HydrophobicContact CE2-CB 4.32Å; F12-E15 HydrophobicContact CE2-CG 3.63Å; F12-E15 VanDerWaalsContact CZ-CD 3.45Å; F12-E15 HydrophobicContact CZ-CG 4.06Å; F12-E15 WeakPolarHBondContact CZ-OE1 3.19Å; F12-A21 HydrophobicContact CB-CB 4.3Å; F12-A21 HydrophobicContact CD1-CB 4.01Å; F12-A21 HydrophobicContact CG-CB 4.28Å; F12-A44 CarbonylContact C-O 3.57Å; F12-A44 WeakPolarHBondContact CA-O 3.5Å; F12-V45 HydrophobicContact CB-CB 4.5Å; F12-V45 HydrophobicContact CB-CG2 4.38Å |
| 13 | T | 94.7 | Very high | 93.3 | Very high | 81 Ų | 81 | 63.7 Ų | 63.7 | 50% | 0.497 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -80.1 | -49 | 179.3 | 46 | 0 | 0 | 0 | 0 | 112.2 | E43 A44 | T13-E43 VanDerWaalsContact CB-OE2 3.31Å; T13-E43 WeakPolarHBondContact CB-OE2 3.29Å; T13-E43 VanDerWaalsContact OG1-CA 3.23Å; T13-E43 WeakPolarHBondContact OG1-CA 3.44Å; T13-E43 PolarHBondContact OG1-OE2 2.84Å; T13-A44 HydrophobicContact CG2-CB 3.93Å; T13-A44 PolarHBondContact N-O 2.89Å; T13-A44 PolarHBondContact OG1-N 3.31Å; T13-A44 PolarHBondContact OG1-O 3.11Å |
| 14 | S | 93.3 | Very high | 93.6 | Very high | 19 Ų | 19 | 58.9 Ų | 58.9 | 13% | 0.133 | 32% | 0.32 | C | S | . | . | trans | -154.5 | 158.7 | 173.7 | 76.5 | 0 | 0 | 0 | 0 | 110.3 | W33 C35 I36 E43 | S14-W33 PolarHBondContact O-NE1 3.47Å; S14-C35 WeakPolarHBondContact OG-CB 3.28Å; S14-I36 PolarHBondContact OG-N 2.94Å; S14-E43 WeakPolarHBondContact CB-OE2 3.41Å; S14-E43 PolarHBondContact N-OE2 3.41Å; S14-E43 PolarHBondContact OG-OE1 3.34Å; S14-E43 PolarHBondContact OG-OE2 3.16Å | ||
| 15 | E | 93.5 | Very high | 93.6 | Very high | 60 Ų | 60 | 59.6 Ų | 59.6 | 28% | 0.28 | 32% | 0.322 | S | S | . | . | trans | -147.3 | 147.4 | 174.3 | 64.8 | -179.1 | -170.4 | 0 | 0 | 111.5 | F12 P20 A21 C34 | F12-E15 HydrophobicContact CD2-CB 4.31Å; F12-E15 HydrophobicContact CD2-CG 4.11Å; F12-E15 HydrophobicContact CE2-CB 4.32Å; F12-E15 HydrophobicContact CE2-CG 3.63Å; F12-E15 VanDerWaalsContact CZ-CD 3.45Å; F12-E15 HydrophobicContact CZ-CG 4.06Å; F12-E15 WeakPolarHBondContact CZ-OE1 3.19Å; E15-P20 WeakPolarHBondContact OE2-CA 3.36Å; E15-A21 PolarHBondContact OE2-N 3.09Å; E15-C34 CarbonylContact C-O 3.57Å; E15-C34 VanDerWaalsContact CA-O 3.29Å; E15-C34 WeakPolarHBondContact CA-O 3.4Å | ||
| 16 | D | 92.7 | Very high | 93.4 | Very high | 36 Ų | 36 | 61.7 Ų | 61.7 | 19% | 0.193 | 32% | 0.324 | C | S | . | . | B | Isolated β-bridge | trans | -77.8 | 140.3 | 167 | -165.6 | -50.4 | 0 | 0 | 0 | 109.7 | A18 F19 C34 Q138 | D16-A18 PolarHBondContact O-N 2.89Å; D16-A18 PolarHBondContact OD1-N 3.41Å; D16-F19 HydrophobicContact CB-CB 4.31Å; D16-F19 HydrophobicContact CB-CD2 4.29Å; D16-F19 CarbonylContact O-C 3.24Å; D16-F19 PolarHBondContact O-N 3.32Å; D16-C34 HydrophobicContact CB-CB 4.39Å; D16-C34 PolarHBondContact N-O 2.94Å; D16-Q138 PolarHBondContact OD2-NE2 2.68Å |
| 17 | K | 91 | Very high | 92.6 | Very high | 206 Ų | 206 | 62.6 Ų | 62.6 | 90% | 0.896 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -30.9 | 177.2 | -66.8 | -177 | 179.9 | -179.8 | 0 | 112.7 | ||
| 18 | A | 90.4 | Very high | 92 | Very high | 65 Ų | 65 | 61.4 Ų | 61.4 | 54% | 0.537 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -24.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D16 P20 | D16-A18 PolarHBondContact O-N 2.89Å; D16-A18 PolarHBondContact OD1-N 3.41Å; A18-P20 VanDerWaalsContact C-CD 3.46Å |
| 19 | F | 92.2 | Very high | 91.3 | Very high | 78 Ų | 78 | 56.3 Ų | 56.3 | 34% | 0.342 | 32% | 0.316 | S | S | . | . | B | Isolated β-bridge | trans | -132 | 63.2 | -172.5 | -55.9 | -69.1 | 0 | 0 | 0 | 111.9 | D16 K32 W33 C34 | D16-F19 HydrophobicContact CB-CB 4.31Å; D16-F19 HydrophobicContact CB-CD2 4.29Å; D16-F19 CarbonylContact O-C 3.24Å; D16-F19 PolarHBondContact O-N 3.32Å; F19-K32 CarbonylContact C-O 3.58Å; F19-K32 WeakPolarHBondContact CA-O 3.21Å; F19-K32 WeakPolarHBondContact CB-O 3.23Å; F19-K32 HydrophobicContact CD1-CB 4.35Å; F19-W33 WeakPolarHBondContact O-CA 3.46Å; F19-C34 HydrophobicContact CB-CB 3.94Å; F19-C34 HydrophobicContact CD2-CB 4.34Å; F19-C34 HydrophobicContact CG-CB 4.43Å; F19-C34 PolarHBondContact O-N 3.36Å |
| 20 | P | 95 | Very high | 90.6 | Very high | 29 Ų | 29 | 63.8 Ų | 63.8 | 19% | 0.188 | 35% | 0.346 | C | S | . | . | trans | -68.6 | 156.3 | -178.2 | 29.2 | -37.9 | 0 | 0 | 0 | 112.7 | E15 A18 S22 N23 | E15-P20 WeakPolarHBondContact OE2-CA 3.36Å; A18-P20 VanDerWaalsContact C-CD 3.46Å; P20-S22 PolarHBondContact O-N 3.02Å; P20-S22 VanDerWaalsContact O-N 3.17Å; P20-N23 WeakPolarHBondContact CD-ND2 3.46Å; P20-N23 VanDerWaalsContact O-CB 3.25Å; P20-N23 WeakPolarHBondContact O-CB 3.38Å; P20-N23 PolarHBondContact O-N 2.8Å; P20-N23 VanDerWaalsContact O-N 3.07Å | ||
| 21 | A | 94.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.008 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -59.5 | -28 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V9 F12 E15 N23 L24 W33 V45 | V9-A21 HydrophobicContact CG1-CB 3.91Å; V9-A21 HydrophobicContact CG2-CB 4.16Å; F12-A21 HydrophobicContact CB-CB 4.3Å; F12-A21 HydrophobicContact CD1-CB 4.01Å; F12-A21 HydrophobicContact CG-CB 4.28Å; E15-A21 PolarHBondContact OE2-N 3.09Å; A21-N23 PolarHBondContact O-N 2.95Å; A21-N23 VanDerWaalsContact O-N 3.13Å; A21-L24 WeakPolarHBondContact O-CB 3.44Å; A21-L24 PolarHBondContact O-N 3.44Å; A21-L24 VanDerWaalsContact O-N 3.09Å; A21-W33 HydrophobicContact CB-CG 4.35Å; A21-V45 HydrophobicContact CB-CG2 3.8Å |
| 22 | S | 93.7 | Very high | 90.1 | Very high | 59 Ų | 59 | 61.7 Ų | 61.7 | 41% | 0.413 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -60.7 | -19.8 | 176.7 | 60.6 | 0 | 0 | 0 | 0 | 113.6 | P20 L24 L25 | P20-S22 PolarHBondContact O-N 3.02Å; P20-S22 VanDerWaalsContact O-N 3.17Å; S22-L24 PolarHBondContact O-N 3.47Å; S22-L25 WeakPolarHBondContact O-CB 3.24Å; S22-L25 PolarHBondContact O-N 2.92Å |
| 23 | N | 93.5 | Very high | 90.1 | Very high | 14 Ų | 14 | 57.2 Ų | 57.2 | 8% | 0.075 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -62.8 | -29.6 | 174.4 | -78.7 | -18.8 | 0 | 0 | 0 | 113 | P20 A21 L25 K26 K32 | P20-N23 WeakPolarHBondContact CD-ND2 3.46Å; P20-N23 VanDerWaalsContact O-CB 3.25Å; P20-N23 WeakPolarHBondContact O-CB 3.38Å; P20-N23 PolarHBondContact O-N 2.8Å; P20-N23 VanDerWaalsContact O-N 3.07Å; A21-N23 PolarHBondContact O-N 2.95Å; A21-N23 VanDerWaalsContact O-N 3.13Å; N23-L25 PolarHBondContact O-N 3.08Å; N23-K26 WeakPolarHBondContact O-CB 3.45Å; N23-K26 PolarHBondContact O-N 2.9Å; N23-K26 VanDerWaalsContact O-N 3.13Å; N23-K26 PolarHBondContact OD1-NZ 3.47Å; N23-K32 WeakPolarHBondContact CB-O 3.35Å; N23-K32 PolarHBondContact ND2-O 3.01Å |
| 24 | L | 93.6 | Very high | 90.1 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -67.3 | -18.2 | 179.3 | -62.2 | 178.7 | 0 | 0 | 0 | 113.1 | A21 S22 K26 W33 V45 L47 I141 | A21-L24 WeakPolarHBondContact O-CB 3.44Å; A21-L24 PolarHBondContact O-N 3.44Å; A21-L24 VanDerWaalsContact O-N 3.09Å; S22-L24 PolarHBondContact O-N 3.47Å; L24-K26 VanDerWaalsContact C-N 3.31Å; L24-W33 HydrophobicContact CD1-CB 3.93Å; L24-W33 HydrophobicContact CD1-CD2 4.39Å; L24-W33 HydrophobicContact CD1-CE3 4.13Å; L24-W33 HydrophobicContact CD1-CG 4.34Å; L24-W33 HydrophobicContact CD2-CB 4.08Å; L24-W33 HydrophobicContact CG-CB 3.84Å; L24-V45 HydrophobicContact CD1-CG1 3.81Å; L24-V45 HydrophobicContact CD1-CG2 4.23Å; L24-L47 HydrophobicContact CB-CD1 4.45Å; L24-I141 HydrophobicContact CD2-CB 4.1Å; L24-I141 HydrophobicContact CD2-CG2 3.96Å |
| 25 | L | 92.3 | Very high | 90.1 | Very high | 45 Ų | 45 | 52.7 Ų | 52.7 | 24% | 0.236 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -77.9 | -17 | 176.3 | -53.7 | 179.2 | 0 | 0 | 0 | 112.8 | P6 V9 S22 N23 G27 L47 | P6-L25 HydrophobicContact CB-CD2 3.92Å; P6-L25 HydrophobicContact CG-CD2 3.78Å; V9-L25 HydrophobicContact CG2-CD1 4.13Å; V9-L25 HydrophobicContact CG2-CD2 4.31Å; V9-L25 HydrophobicContact CG2-CG 4.16Å; S22-L25 WeakPolarHBondContact O-CB 3.24Å; S22-L25 PolarHBondContact O-N 2.92Å; N23-L25 PolarHBondContact O-N 3.08Å; L25-G27 VanDerWaalsContact C-N 3.33Å; L25-L47 HydrophobicContact CD2-CD2 4.09Å |
| 26 | K | 88.1 | Confident | 90 | Very high | 128 Ų | 128 | 54.8 Ų | 54.8 | 56% | 0.557 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -80.5 | -13.3 | -175.7 | -62.3 | 173.6 | -178.9 | 164.8 | 0 | 113.2 | N23 L24 S28 | N23-K26 WeakPolarHBondContact O-CB 3.45Å; N23-K26 PolarHBondContact O-N 2.9Å; N23-K26 VanDerWaalsContact O-N 3.13Å; N23-K26 PolarHBondContact OD1-NZ 3.47Å; L24-K26 VanDerWaalsContact C-N 3.31Å; K26-S28 PolarHBondContact O-N 3.31Å |
| 27 | G | 77.4 | Confident | 89.8 | Confident | 27 Ų | 27 | 56.3 Ų | 56.3 | 28% | 0.278 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 28.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L25 F145 | L25-G27 VanDerWaalsContact C-N 3.33Å; G27-F145 WeakPolarHBondContact O-CE1 3.44Å; G27-F145 WeakPolarHBondContact O-CZ 3.33Å |
| 28 | S | 82.1 | Confident | 89.5 | Confident | 39 Ų | 39 | 47.6 Ų | 47.6 | 27% | 0.273 | 28% | 0.275 | S | S | . | . | trans | -118.2 | 132.9 | -175.6 | -179.3 | 0 | 0 | 0 | 0 | 111.6 | K26 F30 S31 | K26-S28 PolarHBondContact O-N 3.31Å; S28-F30 PolarHBondContact O-N 3.07Å; S28-F30 PolarHBondContact OG-N 2.95Å; S28-S31 PolarHBondContact O-N 3.34Å; S28-S31 VanDerWaalsContact O-N 3.16Å | ||
| 29 | S | 79.3 | Confident | 89.1 | Confident | 55 Ų | 55 | 46.1 Ų | 46.1 | 39% | 0.385 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -16.8 | 176.9 | -46.4 | 0 | 0 | 0 | 0 | 114 | S142 F143 | S29-S142 PolarHBondContact O-OG 2.93Å; S29-S142 VanDerWaalsContact O-OG 3.07Å; S29-F143 WeakPolarHBondContact OG-CD1 3.31Å; S29-F143 WeakPolarHBondContact OG-CE1 3.34Å |
| 30 | F | 82.1 | Confident | 89 | Confident | 190 Ų | 190 | 43.8 Ų | 43.8 | 83% | 0.833 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -21.1 | 177.7 | -56.1 | -70.5 | 0 | 0 | 0 | 112.8 | S28 | S28-F30 PolarHBondContact O-N 3.07Å; S28-F30 PolarHBondContact OG-N 2.95Å |
| 31 | S | 84.5 | Confident | 88.7 | Confident | 28 Ų | 28 | 51.7 Ų | 51.7 | 20% | 0.196 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -105.6 | 96.8 | -177 | -67.9 | 0 | 0 | 0 | 0 | 110 | S28 S142 | S28-S31 PolarHBondContact O-N 3.34Å; S28-S31 VanDerWaalsContact O-N 3.16Å; S31-S142 VanDerWaalsContact O-O 3.05Å |
| 32 | K | 92.9 | Very high | 88.7 | Confident | 39 Ų | 39 | 57.8 Ų | 57.8 | 17% | 0.17 | 32% | 0.32 | C | S | . | . | trans | -99.8 | 159.5 | -173.9 | -47 | -170 | -177.5 | 175.4 | 0 | 112.3 | F19 N23 N63 N103 S142 | F19-K32 CarbonylContact C-O 3.58Å; F19-K32 WeakPolarHBondContact CA-O 3.21Å; F19-K32 WeakPolarHBondContact CB-O 3.23Å; F19-K32 HydrophobicContact CD1-CB 4.35Å; N23-K32 WeakPolarHBondContact CB-O 3.35Å; N23-K32 PolarHBondContact ND2-O 3.01Å; K32-N63 HydrophobicContact CD-CB 4.3Å; K32-N103 VanDerWaalsContact NZ-CG 3.3Å; K32-N103 PolarHBondContact NZ-ND2 2.98Å; K32-N103 PolarHBondContact NZ-OD1 3.23Å; K32-S142 WeakPolarHBondContact CE-OG 3.24Å | ||
| 33 | W | 95.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 134.3 | 163.9 | 167.6 | 59.9 | 0 | 0 | 0 | 110 | S14 F19 A21 L24 E43 V45 G140 I141 | S14-W33 PolarHBondContact O-NE1 3.47Å; F19-W33 WeakPolarHBondContact O-CA 3.46Å; A21-W33 HydrophobicContact CB-CG 4.35Å; L24-W33 HydrophobicContact CD1-CB 3.93Å; L24-W33 HydrophobicContact CD1-CD2 4.39Å; L24-W33 HydrophobicContact CD1-CE3 4.13Å; L24-W33 HydrophobicContact CD1-CG 4.34Å; L24-W33 HydrophobicContact CD2-CB 4.08Å; L24-W33 HydrophobicContact CG-CB 3.84Å; W33-E43 HydrophobicContact CH2-CB 4.16Å; W33-E43 HydrophobicContact CZ2-CB 4.4Å; W33-V45 HydrophobicContact CD2-CB 4.26Å; W33-V45 HydrophobicContact CD2-CG1 4.22Å; W33-V45 HydrophobicContact CE3-CB 4.14Å; W33-V45 HydrophobicContact CE3-CG1 3.64Å; W33-V45 HydrophobicContact CH2-CB 3.78Å; W33-V45 HydrophobicContact CH2-CG1 3.79Å; W33-V45 HydrophobicContact CZ2-CB 3.91Å; W33-V45 HydrophobicContact CZ2-CG1 4.35Å; W33-V45 HydrophobicContact CZ3-CB 3.9Å; W33-V45 HydrophobicContact CZ3-CG1 3.4Å; W33-G140 WeakPolarHBondContact O-CA 3.36Å; W33-I141 HydrophobicContact CE3-CB 4.06Å; W33-I141 HydrophobicContact CE3-CD1 4.16Å; W33-I141 HydrophobicContact CE3-CG1 3.94Å; W33-I141 HydrophobicContact CZ3-CD1 3.97Å; W33-I141 HydrophobicContact CZ3-CG1 3.97Å; W33-I141 PolarHBondContact N-O 3.13Å; W33-I141 PolarHBondContact O-N 3.22Å |
| 34 | C | 93.6 | Very high | 88.9 | Confident | 6 Ų | 6 | 55.3 Ų | 55.3 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 150.1 | 174.9 | -50.5 | 0 | 0 | 0 | 0 | 110.5 | E15 D16 F19 N63 | E15-C34 CarbonylContact C-O 3.57Å; E15-C34 VanDerWaalsContact CA-O 3.29Å; E15-C34 WeakPolarHBondContact CA-O 3.4Å; D16-C34 HydrophobicContact CB-CB 4.39Å; D16-C34 PolarHBondContact N-O 2.94Å; F19-C34 HydrophobicContact CB-CB 3.94Å; F19-C34 HydrophobicContact CD2-CB 4.34Å; F19-C34 HydrophobicContact CG-CB 4.43Å; F19-C34 PolarHBondContact O-N 3.36Å; C34-N63 PolarHBondContact SG-ND2 3.28Å |
| 35 | C | 93.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | trans | -64.6 | 156.5 | 166.8 | 68.7 | 0 | 0 | 0 | 0 | 112.2 | S14 S37 E43 Y139 | S14-C35 WeakPolarHBondContact OG-CB 3.28Å; C35-S37 VanDerWaalsContact C-N 3.32Å; C35-S37 PolarHBondContact O-N 2.88Å; C35-S37 PolarHBondContact SG-O 3.24Å; C35-E43 HydrophobicContact CB-CB 4.45Å; C35-E43 HydrophobicContact CB-CG 3.62Å; C35-Y139 PolarHBondContact N-O 2.9Å; C35-Y139 PolarHBondContact SG-N 3.36Å; C35-Y139 VanDerWaalsContact SG-N 3.38Å; C35-Y139 PolarHBondContact SG-O 2.76Å | ||
| 36 | I | 92.6 | Very high | 89.3 | Confident | 103 Ų | 103 | 53.6 Ų | 53.6 | 53% | 0.528 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -64.2 | -36.9 | -178.3 | -168.2 | 170 | 0 | 0 | 0 | 112.7 | S14 Q138 | S14-I36 PolarHBondContact OG-N 2.94Å; I36-Q138 PolarHBondContact O-NE2 3.15Å |
| 37 | S | 87.2 | Confident | 89.7 | Confident | 68 Ų | 68 | 47.5 Ų | 47.5 | 48% | 0.476 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -144.6 | 142.5 | -177.2 | 59.1 | 0 | 0 | 0 | 0 | 110.3 | C35 | C35-S37 VanDerWaalsContact C-N 3.32Å; C35-S37 PolarHBondContact O-N 2.88Å; C35-S37 PolarHBondContact SG-O 3.24Å |
| 38 | G | 84.6 | Confident | 90.5 | Very high | 23 Ų | 23 | 46.6 Ų | 46.6 | 24% | 0.237 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 155.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | K135 L137 | G38-K135 CarbonylContact C-O 3.59Å; G38-L137 WeakPolarHBondContact CA-O 3.49Å |
| 39 | G | 82.6 | Confident | 91.1 | Very high | 35 Ų | 35 | 45.2 Ų | 45.2 | 36% | 0.361 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.6 | 1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | K135 | G39-K135 WeakPolarHBondContact CA-O 3.3Å; G39-K135 PolarHBondContact N-O 3.23Å |
| 40 | S | 89.5 | Confident | 91.7 | Very high | 29 Ų | 29 | 47.6 Ų | 47.6 | 20% | 0.203 | 26% | 0.262 | C | S | . | . | trans | -61.6 | 149.3 | 163.9 | 49.2 | 0 | 0 | 0 | 0 | 110.7 | E43 Y139 | S40-E43 WeakPolarHBondContact CB-OE1 3.24Å; S40-E43 VanDerWaalsContact OG-CG 3.24Å; S40-E43 WeakPolarHBondContact OG-CG 3.34Å; S40-E43 PolarHBondContact OG-OE1 3.07Å; S40-Y139 PolarHBondContact O-OH 3.19Å; S40-Y139 VanDerWaalsContact O-OH 3.09Å; S40-Y139 PolarHBondContact OG-OH 3.05Å | ||
| 41 | K | 90.3 | Very high | 92.1 | Very high | 195 Ų | 195 | 45.3 Ų | 45.3 | 85% | 0.848 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -69.8 | -43.7 | -178.5 | -70.3 | -176.7 | 179.1 | 179.4 | 0 | 111.1 | S130 | K41-S130 WeakPolarHBondContact O-CB 3.38Š|
| 42 | Q | 93.5 | Very high | 92.5 | Very high | 128 Ų | 128 | 47.1 Ų | 47.1 | 60% | 0.598 | 27% | 0.265 | S | S | * | . | trans | -149.7 | 142.2 | -176.7 | -68.3 | -176.6 | -15.3 | 0 | 0 | 109 | V128 C129 | Q42-V128 HydrophobicContact CB-CG1 4.33Å; Q42-V128 HydrophobicContact CG-CG1 4.43Å; Q42-C129 CarbonylContact C-O 3.48Å; Q42-C129 VanDerWaalsContact CA-O 3.28Å; Q42-C129 WeakPolarHBondContact CA-O 3.05Å | ||
| 43 | E | 95.7 | Very high | 92.6 | Very high | 12 Ų | 12 | 46.1 Ų | 46.1 | 6% | 0.056 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 137.7 | 173.8 | -65.5 | -73.9 | 164.3 | 0 | 0 | 107.6 | T13 S14 W33 C35 S40 C129 Y139 | T13-E43 VanDerWaalsContact CB-OE2 3.31Å; T13-E43 WeakPolarHBondContact CB-OE2 3.29Å; T13-E43 VanDerWaalsContact OG1-CA 3.23Å; T13-E43 WeakPolarHBondContact OG1-CA 3.44Å; T13-E43 PolarHBondContact OG1-OE2 2.84Å; S14-E43 WeakPolarHBondContact CB-OE2 3.41Å; S14-E43 PolarHBondContact N-OE2 3.41Å; S14-E43 PolarHBondContact OG-OE1 3.34Å; S14-E43 PolarHBondContact OG-OE2 3.16Å; W33-E43 HydrophobicContact CH2-CB 4.16Å; W33-E43 HydrophobicContact CZ2-CB 4.4Å; C35-E43 HydrophobicContact CB-CB 4.45Å; C35-E43 HydrophobicContact CB-CG 3.62Å; S40-E43 WeakPolarHBondContact CB-OE1 3.24Å; S40-E43 VanDerWaalsContact OG-CG 3.24Å; S40-E43 WeakPolarHBondContact OG-CG 3.34Å; S40-E43 PolarHBondContact OG-OE1 3.07Å; E43-C129 PolarHBondContact N-O 2.99Å; E43-C129 PolarHBondContact O-N 2.98Å; E43-Y139 HydrophobicContact CB-CE2 3.9Å; E43-Y139 HydrophobicContact CG-CE1 4.44Å; E43-Y139 HydrophobicContact CG-CE2 3.84Å; E43-Y139 WeakPolarHBondContact CG-OH 3.25Å |
| 44 | A | 96.4 | Very high | 92.5 | Very high | 9 Ų | 9 | 49.2 Ų | 49.2 | 7% | 0.074 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 146.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F12 T13 K126 F127 V128 | F12-A44 CarbonylContact C-O 3.57Å; F12-A44 WeakPolarHBondContact CA-O 3.5Å; T13-A44 HydrophobicContact CG2-CB 3.93Å; T13-A44 PolarHBondContact N-O 2.89Å; T13-A44 PolarHBondContact OG1-N 3.31Å; T13-A44 PolarHBondContact OG1-O 3.11Å; A44-K126 HydrophobicContact CB-CG 4.37Å; A44-F127 CarbonylContact C-O 3.54Å; A44-F127 WeakPolarHBondContact CA-O 3.45Å; A44-F127 WeakPolarHBondContact CB-O 3.41Å; A44-V128 HydrophobicContact CB-CG2 4.09Å |
| 45 | V | 96.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 134.8 | 171.2 | 62.1 | 0 | 0 | 0 | 0 | 108.6 | V9 F12 A21 L24 W33 L47 K126 F127 I141 | V9-V45 HydrophobicContact CG1-CG2 4.1Å; F12-V45 HydrophobicContact CB-CB 4.5Å; F12-V45 HydrophobicContact CB-CG2 4.38Å; A21-V45 HydrophobicContact CB-CG2 3.8Å; L24-V45 HydrophobicContact CD1-CG1 3.81Å; L24-V45 HydrophobicContact CD1-CG2 4.23Å; W33-V45 HydrophobicContact CD2-CB 4.26Å; W33-V45 HydrophobicContact CD2-CG1 4.22Å; W33-V45 HydrophobicContact CE3-CB 4.14Å; W33-V45 HydrophobicContact CE3-CG1 3.64Å; W33-V45 HydrophobicContact CH2-CB 3.78Å; W33-V45 HydrophobicContact CH2-CG1 3.79Å; W33-V45 HydrophobicContact CZ2-CB 3.91Å; W33-V45 HydrophobicContact CZ2-CG1 4.35Å; W33-V45 HydrophobicContact CZ3-CB 3.9Å; W33-V45 HydrophobicContact CZ3-CG1 3.4Å; V45-L47 HydrophobicContact CG2-CD2 4.11Å; V45-K126 CarbonylContact O-C 3.5Å; V45-K126 WeakPolarHBondContact O-CA 3.36Å; V45-F127 HydrophobicContact CG1-CB 4.01Å; V45-F127 HydrophobicContact CG1-CD2 4.33Å; V45-F127 PolarHBondContact N-O 3.26Å; V45-F127 PolarHBondContact O-N 3.14Å; V45-I141 HydrophobicContact CG1-CD1 4.3Å |
| 46 | E | 96.3 | Very high | 92.5 | Very high | 11 Ų | 11 | 50.2 Ų | 50.2 | 5% | 0.051 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 127.9 | -179.9 | -170.9 | 174 | -114.7 | 0 | 0 | 110.2 | V10 S11 R73 V125 K126 | V10-E46 HydrophobicContact CB-CB 4.32Å; V10-E46 HydrophobicContact CB-CG 4.16Å; V10-E46 VanDerWaalsContact CG1-OE2 3.28Å; V10-E46 WeakPolarHBondContact CG1-OE2 3.36Å; V10-E46 PolarHBondContact N-O 3.49Å; S11-E46 PolarHBondContact O-N 3.28Å; S11-E46 WeakPolarHBondContact OG-CB 3.44Å; S11-E46 PolarHBondContact OG-OE2 3.19Å; E46-R73 IonicContact OE1-CZ 2.86Å; E46-R73 IonicContact OE1-NE 2.91Å; E46-R73 PolarHBondContact OE1-NE 3.02Å; E46-R73 IonicContact OE1-NH2 2.83Å; E46-R73 PolarHBondContact OE1-NH2 2.98Å; E46-R73 VanDerWaalsContact OE1-NH2 3.11Å; E46-R73 IonicContact OE2-CZ 2.7Å; E46-R73 IonicContact OE2-NE 3.44Å; E46-R73 IonicContact OE2-NH2 3.07Å; E46-R73 PolarHBondContact OE2-NH2 3.46Å; E46-V125 CarbonylContact C-O 3.6Å; E46-V125 WeakPolarHBondContact CA-O 3.48Å; E46-K126 HydrophobicContact CB-CB 4.31Å; E46-K126 HydrophobicContact CB-CG 4.39Å; E46-K126 HydrophobicContact CG-CB 4.17Å |
| 47 | L | 96.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 143.7 | -178.4 | -54.2 | 179.9 | 0 | 0 | 0 | 108.9 | P6 R8 V9 L24 L25 V45 L124 V125 F127 V144 F146 | P6-L47 HydrophobicContact CB-CB 3.96Å; P6-L47 HydrophobicContact CB-CD1 4.32Å; P6-L47 HydrophobicContact CG-CD1 4.06Å; R8-L47 WeakPolarHBondContact O-CA 3.39Å; V9-L47 HydrophobicContact CB-CD2 4.33Å; V9-L47 HydrophobicContact CG1-CD2 4.45Å; V9-L47 HydrophobicContact CG2-CD2 3.79Å; L24-L47 HydrophobicContact CB-CD1 4.45Å; L25-L47 HydrophobicContact CD2-CD2 4.09Å; V45-L47 HydrophobicContact CG2-CD2 4.11Å; L47-L124 WeakPolarHBondContact O-CA 3.21Å; L47-V125 PolarHBondContact N-O 2.89Å; L47-V125 PolarHBondContact O-N 3.05Å; L47-F127 HydrophobicContact CD1-CE2 4.06Å; L47-V144 HydrophobicContact CD1-CG2 3.98Å; L47-F146 HydrophobicContact CD1-CZ 4.46Å |
| 48 | S | 95.1 | Very high | 93 | Very high | 8 Ų | 8 | 45.1 Ų | 45.1 | 6% | 0.056 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 149.3 | 172 | 65.6 | 0 | 0 | 0 | 0 | 112 | P6 S7 R8 D123 L124 | P6-S48 CarbonylContact C-O 3.58Å; P6-S48 WeakPolarHBondContact CA-O 3.26Å; S7-S48 PolarHBondContact N-O 3.45Å; S7-S48 PolarHBondContact OG-O 3.17Å; S7-S48 PolarHBondContact OG-OG 2.91Å; R8-S48 WeakPolarHBondContact CG-OG 3.4Å; R8-S48 PolarHBondContact O-N 3.22Å; S48-D123 CarbonylContact C-O 3.56Å; S48-D123 WeakPolarHBondContact CA-O 3.46Å; S48-L124 VanDerWaalsContact CB-CD2 3.48Å |
| 49 | F | 94.6 | Very high | 93.5 | Very high | 10 Ų | 10 | 44.8 Ų | 44.8 | 4% | 0.044 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 163.8 | 164.6 | -63.9 | -71.2 | 0 | 0 | 0 | 111 | V4 P6 E51 V53 I55 D123 V125 F146 | V4-F49 HydrophobicContact CB-CE1 4.48Å; V4-F49 HydrophobicContact CG1-CD1 3.73Å; V4-F49 HydrophobicContact CG1-CE1 3.82Å; P6-F49 HydrophobicContact CB-CD1 4.34Å; P6-F49 HydrophobicContact CB-CE1 4.12Å; F49-E51 WeakPolarHBondContact CB-O 3.42Å; F49-V53 HydrophobicContact CB-CG2 4.32Å; F49-V53 HydrophobicContact CD2-CB 4.45Å; F49-V53 HydrophobicContact CG-CG2 4.24Å; F49-I55 HydrophobicContact CE2-CD1 4.43Å; F49-D123 PolarHBondContact N-O 3.04Å; F49-V125 HydrophobicContact CD2-CG2 4.3Å; F49-V125 HydrophobicContact CE2-CG2 3.47Å; F49-V125 VanDerWaalsContact CE2-CG2 3.47Å; F49-V125 HydrophobicContact CZ-CG2 4.25Å; F49-F146 HydrophobicContact CE1-CB 4.49Å; F49-F146 HydrophobicContact CE1-CD2 4.05Å; F49-F146 HydrophobicContact CE1-CE2 4.44Å; F49-F146 HydrophobicContact CE1-CG 4.18Å; F49-F146 HydrophobicContact CZ-CB 4.19Å; F49-F146 AromaticContact CZ-CD1 3.74Å; F49-F146 HydrophobicContact CZ-CD1 3.74Å; F49-F146 AromaticContact CZ-CD2 3.81Å; F49-F146 HydrophobicContact CZ-CD2 3.81Å; F49-F146 AromaticContact CZ-CE1 3.99Å; F49-F146 HydrophobicContact CZ-CE1 3.99Å; F49-F146 HydrophobicContact CZ-CE2 4.05Å; F49-F146 AromaticContact CZ-CG 3.65Å; F49-F146 HydrophobicContact CZ-CG 3.65Å; F49-F146 HydrophobicContact CZ-CZ 4.12Å |
| 50 | S | 91.9 | Very high | 94.1 | Very high | 105 Ų | 105 | 43.1 Ų | 43.1 | 73% | 0.734 | 22% | 0.223 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -70.6 | -36.3 | 171.4 | 49.5 | 0 | 0 | 0 | 0 | 112 | ||
| 51 | E | 91.5 | Very high | 94.4 | Very high | 143 Ų | 143 | 41.8 Ų | 41.8 | 67% | 0.668 | 21% | 0.213 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 155.4 | 178.7 | -63.3 | -174.3 | 172.8 | 0 | 0 | 110.1 | F49 V53 | F49-E51 WeakPolarHBondContact CB-O 3.42Å; E51-V53 VanDerWaalsContact O-CG2 3.3Å; E51-V53 WeakPolarHBondContact O-CG2 3.41Å; E51-V53 PolarHBondContact O-N 2.86Å |
| 52 | P | 93.1 | Very high | 94.7 | Very high | 65 Ų | 65 | 32.5 Ų | 32.5 | 42% | 0.422 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 123.1 | 172.5 | -22.3 | 33.8 | 0 | 0 | 0 | 111.9 | K121 W122 D123 | P52-K121 HydrophobicContact CB-CB 3.75Å; P52-W122 CarbonylContact C-O 3.53Å; P52-W122 WeakPolarHBondContact CA-O 3.44Å; P52-D123 HydrophobicContact CB-CB 4.46Å; P52-D123 HydrophobicContact CG-CB 4.24Å |
| 53 | V | 93.2 | Very high | 94.7 | Very high | 18 Ų | 18 | 27.3 Ų | 27.3 | 11% | 0.109 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 141.9 | -171.2 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | V4 F49 E51 K121 W122 T148 | V4-V53 HydrophobicContact CB-CG1 4.41Å; V4-V53 HydrophobicContact CG1-CG1 4.3Å; V4-V53 HydrophobicContact CG1-CG2 3.85Å; V4-V53 HydrophobicContact CG2-CG1 4.14Å; F49-V53 HydrophobicContact CB-CG2 4.32Å; F49-V53 HydrophobicContact CD2-CB 4.45Å; F49-V53 HydrophobicContact CG-CG2 4.24Å; E51-V53 VanDerWaalsContact O-CG2 3.3Å; E51-V53 WeakPolarHBondContact O-CG2 3.41Å; E51-V53 PolarHBondContact O-N 2.86Å; V53-K121 WeakPolarHBondContact O-CA 3.49Å; V53-W122 PolarHBondContact N-O 2.59Å; V53-W122 PolarHBondContact O-N 3.32Å; V53-T148 HydrophobicContact CG1-CG2 3.32Å |
| 54 | E | 93.6 | Very high | 94.6 | Very high | 66 Ų | 66 | 26.8 Ų | 26.8 | 31% | 0.308 | 15% | 0.147 | S | C | . | . | trans | -90.1 | 116 | 169.9 | -172.5 | -176.7 | 160.8 | 0 | 0 | 109.5 | A118 K121 T148 P149 | E54-A118 WeakPolarHBondContact CG-O 3.37Å; E54-K121 HydrophobicContact CB-CG 4.3Å; E54-T148 WeakPolarHBondContact O-CG2 3.39Å; E54-P149 HydrophobicContact CB-CG 4.45Å; E54-P149 HydrophobicContact CG-CG 4.35Å; E54-P149 VanDerWaalsContact O-CD 3.28Å; E54-P149 WeakPolarHBondContact O-CD 3.44Å | ||
| 55 | I | 93.8 | Very high | 94.6 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | trans | -91.9 | 116.6 | -175 | -57.7 | 168 | 0 | 0 | 0 | 109.1 | F49 V72 L84 F113 V125 F146 | F49-I55 HydrophobicContact CE2-CD1 4.43Å; I55-V72 HydrophobicContact CD1-CG1 4.48Å; I55-L84 HydrophobicContact CB-CD2 4.23Å; I55-L84 HydrophobicContact CD1-CD2 3.92Å; I55-L84 HydrophobicContact CG2-CD2 4.3Å; I55-F113 HydrophobicContact CG2-CE2 4.21Å; I55-F113 HydrophobicContact CG2-CZ 4.49Å; I55-V125 HydrophobicContact CD1-CG2 3.89Å; I55-F146 HydrophobicContact CD1-CD1 4.06Å; I55-F146 HydrophobicContact CD1-CE1 4.43Å; I55-F146 HydrophobicContact CG1-CD1 4.48Å | ||
| 56 | S | 93.3 | Very high | 94.5 | Very high | 23 Ų | 23 | 26.3 Ų | 26.3 | 16% | 0.161 | 14% | 0.144 | C | C | . | . | trans | -106.1 | -26.5 | -178.1 | 59.9 | 0 | 0 | 0 | 0 | 113.8 | M1 G110 H147 T148 P149 | M1-S56 WeakPolarHBondContact CE-OG 3.26Å; S56-G110 PolarHBondContact O-N 2.71Å; S56-H147 PolarHBondContact N-O 3.48Å; S56-H147 PolarHBondContact OG-O 2.96Å; S56-T148 PolarHBondContact OG-O 3.3Å; S56-P149 VanDerWaalsContact OG-N 3.08Å | ||
| 57 | R | 94.3 | Very high | 94.5 | Very high | 63 Ų | 63 | 28.6 Ų | 28.6 | 24% | 0.238 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 143.5 | 173.2 | 171.2 | 179 | -177.6 | -79.9 | -9 | 109.9 | M1 D59 V107 F108 H147 | M1-R57 HydrophobicContact CE-CB 3.91Å; R57-D59 VanDerWaalsContact CZ-CG 3.42Å; R57-D59 IonicContact CZ-OD1 2.6Å; R57-D59 IonicContact CZ-OD2 3.63Å; R57-D59 IonicContact NE-OD1 2.57Å; R57-D59 IonicContact NH1-OD1 3.89Å; R57-D59 PolarHBondContact NH1-OD1 2.59Å; R57-D59 IonicContact NH1-OD2 3.86Å; R57-D59 PolarHBondContact NH1-OD2 3.12Å; R57-D59 IonicContact NH2-OD1 3.93Å; R57-D59 PolarHBondContact NH2-OD1 2.79Å; R57-D59 IonicContact NH2-OD2 2.67Å; R57-D59 PolarHBondContact NH2-OD2 3.49Å; R57-V107 HydrophobicContact CG-CG1 4.28Å; R57-V107 VanDerWaalsContact NE-CG1 3.27Å; R57-F108 CarbonylContact C-O 3.55Å; R57-F108 VanDerWaalsContact CA-O 3.25Å; R57-F108 WeakPolarHBondContact CA-O 3.4Å; R57-F108 WeakPolarHBondContact CG-O 3.28Å; R57-H147 HydrophobicContact CB-CB 3.94Å; R57-H147 PolarHBondContact N-O 3.22Å; R57-H147 PolarHBondContact NH1-CD2 2.7Å; R57-H147 PolarHBondContact NH1-NE2 2.86Å; R57-H147 VanDerWaalsContact NH1-NE2 3.19Å; R57-H147 PolarHBondContact O-N 3.49Å |
| 58 | L | 95.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 122.1 | -176.8 | -177.4 | 65.4 | 0 | 0 | 0 | 109.6 | I60 V70 F108 F113 F127 F145 F146 | L58-I60 HydrophobicContact CD2-CD1 3.75Å; L58-I60 HydrophobicContact CD2-CG1 4.12Å; L58-I60 HydrophobicContact CG-CD1 4.07Å; L58-I60 HydrophobicContact CG-CG1 3.86Å; L58-V70 HydrophobicContact CD2-CB 4.46Å; L58-V70 HydrophobicContact CD2-CG1 4.19Å; L58-V70 HydrophobicContact CD2-CG2 3.9Å; L58-F108 HydrophobicContact CB-CB 4.49Å; L58-F108 PolarHBondContact N-O 2.84Å; L58-F108 PolarHBondContact O-N 3.12Å; L58-F113 HydrophobicContact CB-CE1 4.25Å; L58-F113 HydrophobicContact CB-CZ 3.7Å; L58-F127 HydrophobicContact CD1-CZ 4.32Å; L58-F127 HydrophobicContact CD2-CE1 4.25Å; L58-F145 WeakPolarHBondContact CA-O 3.37Å; L58-F146 HydrophobicContact CD1-CD1 3.39Å; L58-F146 HydrophobicContact CD1-CE1 3.43Å; L58-F146 VanDerWaalsContact CD1-CE1 3.43Å; L58-F146 HydrophobicContact CD1-CG 4.11Å; L58-F146 HydrophobicContact CD1-CZ 4.19Å |
| 59 | D | 95.2 | Very high | 94.7 | Very high | 17 Ų | 17 | 30.6 Ų | 30.6 | 9% | 0.091 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 125.9 | 175.2 | -57.1 | -15 | 0 | 0 | 0 | 108.9 | R57 V107 V144 F145 H147 | R57-D59 VanDerWaalsContact CZ-CG 3.42Å; R57-D59 IonicContact CZ-OD1 2.6Å; R57-D59 IonicContact CZ-OD2 3.63Å; R57-D59 IonicContact NE-OD1 2.57Å; R57-D59 IonicContact NH1-OD1 3.89Å; R57-D59 PolarHBondContact NH1-OD1 2.59Å; R57-D59 IonicContact NH1-OD2 3.86Å; R57-D59 PolarHBondContact NH1-OD2 3.12Å; R57-D59 IonicContact NH2-OD1 3.93Å; R57-D59 PolarHBondContact NH2-OD1 2.79Å; R57-D59 IonicContact NH2-OD2 2.67Å; R57-D59 PolarHBondContact NH2-OD2 3.49Å; D59-V107 WeakPolarHBondContact OD1-CG1 3.31Å; D59-V144 CarbonylContact O-C 3.57Å; D59-V144 VanDerWaalsContact O-CA 3.28Å; D59-V144 WeakPolarHBondContact O-CA 3.38Å; D59-F145 HydrophobicContact CB-CB 4.09Å; D59-F145 HydrophobicContact CB-CD2 4.2Å; D59-F145 PolarHBondContact N-O 3.18Å; D59-F145 PolarHBondContact O-N 3.38Å; D59-H147 IonicContact OD2-NE2 3.39Å |
| 60 | I | 96.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 115.9 | -177.5 | -54.1 | 178.3 | 0 | 0 | 0 | 108.3 | L58 I68 V70 L85 F90 V105 R106 F108 F127 I141 V144 | L58-I60 HydrophobicContact CD2-CD1 3.75Å; L58-I60 HydrophobicContact CD2-CG1 4.12Å; L58-I60 HydrophobicContact CG-CD1 4.07Å; L58-I60 HydrophobicContact CG-CG1 3.86Å; I60-I68 HydrophobicContact CG2-CD1 3.84Å; I60-V70 HydrophobicContact CD1-CG2 3.97Å; I60-L85 HydrophobicContact CD1-CD2 4.37Å; I60-F90 HydrophobicContact CB-CE1 3.81Å; I60-F90 HydrophobicContact CB-CZ 3.82Å; I60-F90 HydrophobicContact CD1-CZ 4.05Å; I60-F90 HydrophobicContact CG1-CZ 4.48Å; I60-F90 HydrophobicContact CG2-CE1 3.78Å; I60-F90 HydrophobicContact CG2-CZ 3.83Å; I60-V105 WeakPolarHBondContact O-CA 3.39Å; I60-R106 PolarHBondContact N-O 3.23Å; I60-R106 PolarHBondContact O-N 2.74Å; I60-F108 HydrophobicContact CD1-CD2 4.23Å; I60-F108 HydrophobicContact CD1-CE2 3.98Å; I60-F108 HydrophobicContact CG1-CD2 4.45Å; I60-F108 HydrophobicContact CG1-CE2 4.32Å; I60-F127 HydrophobicContact CD1-CD1 4.3Å; I60-F127 HydrophobicContact CD1-CE1 3.88Å; I60-F127 HydrophobicContact CG1-CE1 4.27Å; I60-I141 HydrophobicContact CG2-CG2 4.21Å; I60-V144 HydrophobicContact CG1-CG1 4.47Å; I60-V144 HydrophobicContact CG2-CG1 4.44Å |
| 61 | G | 95.8 | Very high | 95 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 119.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110 | I141 S142 F143 | G61-I141 WeakPolarHBondContact O-CG2 3.19Å; G61-S142 WeakPolarHBondContact O-CB 3.43Å; G61-S142 PolarHBondContact O-N 3.05Å; G61-F143 PolarHBondContact N-O 3.11Å |
| 62 | N | 95.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 159 | 178.4 | -166.1 | 17.6 | 0 | 0 | 0 | 112 | S65 F90 M91 L102 N103 R104 S142 | N62-S65 PolarHBondContact ND2-O 3.38Å; N62-S65 WeakPolarHBondContact OD1-CA 3.41Å; N62-S65 WeakPolarHBondContact OD1-CB 3.41Å; N62-S65 PolarHBondContact OD1-N 3.48Å; N62-S65 PolarHBondContact OD1-O 3.02Å; N62-F90 HydrophobicContact CB-CB 4.21Å; N62-F90 HydrophobicContact CB-CD1 3.92Å; N62-F90 HydrophobicContact CB-CG 4.43Å; N62-F90 WeakPolarHBondContact ND2-CB 3.42Å; N62-M91 VanDerWaalsContact ND2-CG 3.34Å; N62-M91 WeakPolarHBondContact ND2-CG 3.38Å; N62-L102 CarbonylContact C-O 3.56Å; N62-L102 VanDerWaalsContact C-O 3.31Å; N62-N103 WeakPolarHBondContact O-CA 3.32Å; N62-R104 WeakPolarHBondContact CB-O 3.46Å; N62-R104 PolarHBondContact N-O 3.33Å; N62-S142 VanDerWaalsContact O-CB 3.28Å; N62-S142 WeakPolarHBondContact O-CB 3.4Å |
| 63 | N | 94.5 | Very high | 95.3 | Very high | 19 Ų | 19 | 19.1 Ų | 19.1 | 10% | 0.102 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 76.7 | 161.7 | -171.4 | 34.9 | 0 | 0 | 0 | 109.2 | K32 C34 S65 L102 Y139 G140 | K32-N63 HydrophobicContact CD-CB 4.3Å; C34-N63 PolarHBondContact SG-ND2 3.28Å; N63-S65 VanDerWaalsContact C-N 3.3Å; N63-S65 PolarHBondContact O-N 3.26Å; N63-L102 VanDerWaalsContact CA-O 3.31Å; N63-L102 WeakPolarHBondContact CA-O 3.4Å; N63-L102 PolarHBondContact N-O 3.15Å; N63-Y139 CarbonylContact O-C 3.17Å; N63-Y139 WeakPolarHBondContact O-CA 3.41Å; N63-G140 PolarHBondContact N-O 3.28Å; N63-G140 PolarHBondContact O-N 3Å |
| 64 | G | 93.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | B | Isolated β-bridge | trans | 76.9 | 4.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | M91 L102 Q131 Y139 | G64-M91 VanDerWaalsContact CA-SD 3.52Å; G64-L102 PolarHBondContact N-O 3.37Å; G64-Q131 PolarHBondContact O-NE2 3.38Å; G64-Y139 VanDerWaalsContact C-CB 3.48Å; G64-Y139 VanDerWaalsContact O-CB 3.31Å; G64-Y139 WeakPolarHBondContact O-CB 3.48Å |
| 65 | S | 96 | Very high | 95.1 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | -79.5 | 133.3 | 175.7 | -58.6 | 0 | 0 | 0 | 0 | 110.6 | N62 N63 F90 M91 C129 Y139 G140 | N62-S65 PolarHBondContact ND2-O 3.38Å; N62-S65 WeakPolarHBondContact OD1-CA 3.41Å; N62-S65 WeakPolarHBondContact OD1-CB 3.41Å; N62-S65 PolarHBondContact OD1-N 3.48Å; N62-S65 PolarHBondContact OD1-O 3.02Å; N63-S65 VanDerWaalsContact C-N 3.3Å; N63-S65 PolarHBondContact O-N 3.26Å; S65-F90 WeakPolarHBondContact O-CB 3.36Å; S65-M91 WeakPolarHBondContact O-CG 3.48Å; S65-C129 WeakPolarHBondContact OG-CB 3.24Å; S65-Y139 WeakPolarHBondContact OG-CD2 3.25Å; S65-G140 PolarHBondContact OG-N 3.37Å; S65-G140 PolarHBondContact OG-O 2.84Å | ||
| 66 | A | 95.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -80.1 | -42.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S89 F90 M91 S130 F133 | A66-S89 CarbonylContact O-C 3.31Å; A66-S89 WeakPolarHBondContact O-CA 3.4Å; A66-F90 PolarHBondContact O-N 3.47Å; A66-M91 PolarHBondContact O-N 3.37Å; A66-S130 WeakPolarHBondContact CA-O 3.24Å; A66-S130 WeakPolarHBondContact CB-O 3.48Å; A66-S130 PolarHBondContact N-O 2.97Å; A66-F133 HydrophobicContact CB-CD2 3.76Å; A66-F133 HydrophobicContact CB-CE2 3.75Å |
| 67 | F | 96.6 | Very high | 93.9 | Very high | 58 Ų | 58 | 29.4 Ų | 29.4 | 25% | 0.254 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 140 | 175.6 | -52.1 | -87.4 | 0 | 0 | 0 | 110.6 | S87 S88 C129 S130 P132 F133 | F67-S87 WeakPolarHBondContact CB-OG 3.34Å; F67-S88 VanDerWaalsContact CA-O 3.27Å; F67-S88 WeakPolarHBondContact CA-O 3.48Å; F67-C129 CarbonylContact O-C 3.54Å; F67-C129 WeakPolarHBondContact O-CA 3.34Å; F67-S130 PolarHBondContact N-O 3.28Å; F67-S130 VanDerWaalsContact N-O 3.09Å; F67-S130 PolarHBondContact O-N 2.95Å; F67-P132 HydrophobicContact CD2-CG 4.28Å; F67-P132 HydrophobicContact CE2-CG 3.93Å; F67-F133 AromaticContact CE2-CE2 3.68Å; F67-F133 HydrophobicContact CE2-CE2 3.68Å; F67-F133 AromaticContact CE2-CZ 3.65Å; F67-F133 HydrophobicContact CE2-CZ 3.65Å; F67-F133 HydrophobicContact CZ-CE2 4.01Å; F67-F133 AromaticContact CZ-CZ 3.83Å; F67-F133 HydrophobicContact CZ-CZ 3.83Å |
| 68 | I | 97.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 127.6 | 173.9 | -52.8 | 176.7 | 0 | 0 | 0 | 108 | I60 S88 F90 F127 V128 I141 | I60-I68 HydrophobicContact CG2-CD1 3.84Å; I68-S88 PolarHBondContact N-O 2.9Å; I68-S88 PolarHBondContact O-N 3.46Å; I68-F90 HydrophobicContact CB-CD2 3.88Å; I68-F90 HydrophobicContact CB-CE2 3.54Å; I68-F90 HydrophobicContact CB-CZ 4.23Å; I68-F90 HydrophobicContact CD1-CD1 4.17Å; I68-F90 HydrophobicContact CD1-CD2 3.8Å; I68-F90 HydrophobicContact CD1-CE1 4.1Å; I68-F90 HydrophobicContact CD1-CE2 3.81Å; I68-F90 HydrophobicContact CD1-CG 3.99Å; I68-F90 HydrophobicContact CD1-CZ 3.9Å; I68-F90 HydrophobicContact CG1-CD2 3.7Å; I68-F90 HydrophobicContact CG1-CE2 3.82Å; I68-F90 HydrophobicContact CG1-CG 4.29Å; I68-F90 HydrophobicContact CG1-CZ 4.4Å; I68-F127 HydrophobicContact CG2-CD1 4.24Å; I68-V128 CarbonylContact C-O 3.6Å; I68-V128 WeakPolarHBondContact CA-O 3.1Å; I68-I141 HydrophobicContact CD1-CG1 4.37Å |
| 69 | E | 97.2 | Very high | 91 | Very high | 50 Ų | 50 | 38.5 Ų | 38.5 | 23% | 0.234 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 144.8 | 172 | -179 | 177.6 | -171.2 | 0 | 0 | 109 | L71 V83 F127 V128 | E69-L71 HydrophobicContact CG-CD1 4.08Å; E69-V83 HydrophobicContact CG-CG1 4.27Å; E69-V83 WeakPolarHBondContact OE1-CG2 3.46Å; E69-F127 WeakPolarHBondContact O-CA 3.4Å; E69-V128 HydrophobicContact CB-CB 4.34Å; E69-V128 PolarHBondContact N-O 2.83Å; E69-V128 PolarHBondContact O-N 3.18Å |
| 70 | V | 97.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 118.3 | -179.6 | -170.3 | 0 | 0 | 0 | 0 | 109.2 | L58 I60 L84 L85 V125 F127 | L58-V70 HydrophobicContact CD2-CB 4.46Å; L58-V70 HydrophobicContact CD2-CG1 4.19Å; L58-V70 HydrophobicContact CD2-CG2 3.9Å; I60-V70 HydrophobicContact CD1-CG2 3.97Å; V70-L84 PolarHBondContact O-N 3.35Å; V70-L85 HydrophobicContact CB-CB 3.82Å; V70-L85 HydrophobicContact CG2-CB 3.96Å; V70-L85 HydrophobicContact CG2-CD2 3.95Å; V70-L85 PolarHBondContact N-O 2.72Å; V70-L85 PolarHBondContact O-N 2.87Å; V70-V125 HydrophobicContact CG1-CG1 3.46Å; V70-V125 VanDerWaalsContact CG1-CG1 3.46Å; V70-F127 HydrophobicContact CG1-CD1 4.36Å; V70-F127 HydrophobicContact CG1-CE1 4.1Å; V70-F127 HydrophobicContact CG1-CZ 4.38Å; V70-F127 HydrophobicContact CG2-CD1 3.73Å; V70-F127 HydrophobicContact CG2-CE1 3.76Å |
| 71 | L | 96.4 | Very high | 89.9 | Confident | 25 Ų | 25 | 46.4 Ų | 46.4 | 13% | 0.131 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 151.6 | 175.4 | -56.5 | 95.9 | 0 | 0 | 0 | 109.9 | E69 S82 V83 V125 K126 V128 | E69-L71 HydrophobicContact CG-CD1 4.08Å; L71-S82 CarbonylContact C-O 3.53Å; L71-S82 VanDerWaalsContact CA-O 3.24Å; L71-S82 WeakPolarHBondContact CA-O 3.42Å; L71-V83 HydrophobicContact CD2-CG2 4.09Å; L71-V83 HydrophobicContact CG-CG2 4.34Å; L71-V125 CarbonylContact O-C 3.51Å; L71-V125 WeakPolarHBondContact O-CA 3.28Å; L71-K126 HydrophobicContact CB-CB 4.38Å; L71-K126 PolarHBondContact N-O 2.92Å; L71-K126 PolarHBondContact O-N 3.15Å; L71-V128 HydrophobicContact CD1-CB 4.31Å; L71-V128 HydrophobicContact CD1-CG2 3.45Å; L71-V128 VanDerWaalsContact CD1-CG2 3.45Å |
| 72 | V | 95.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 146.7 | 177.6 | -66.1 | 0 | 0 | 0 | 0 | 109.8 | I55 S82 L84 I117 W122 L124 V125 | I55-V72 HydrophobicContact CD1-CG1 4.48Å; V72-S82 PolarHBondContact N-O 3.24Å; V72-S82 PolarHBondContact O-N 3.16Å; V72-L84 HydrophobicContact CG1-CB 3.79Å; V72-L84 HydrophobicContact CG1-CD2 3.82Å; V72-L84 HydrophobicContact CG1-CG 4.37Å; V72-L84 HydrophobicContact CG2-CB 4.01Å; V72-I117 HydrophobicContact CG2-CG2 3.42Å; V72-I117 VanDerWaalsContact CG2-CG2 3.42Å; V72-W122 HydrophobicContact CB-CB 3.98Å; V72-W122 HydrophobicContact CB-CD2 3.67Å; V72-W122 HydrophobicContact CB-CE3 4.02Å; V72-W122 HydrophobicContact CB-CG 3.63Å; V72-W122 HydrophobicContact CG1-CB 4.34Å; V72-W122 HydrophobicContact CG1-CG 4.19Å; V72-W122 HydrophobicContact CG2-CD2 3.45Å; V72-W122 VanDerWaalsContact CG2-CD2 3.45Å; V72-W122 VanDerWaalsContact CG2-CE2 3.45Å; V72-W122 HydrophobicContact CG2-CE3 3.91Å; V72-W122 HydrophobicContact CG2-CG 3.78Å; V72-W122 HydrophobicContact CG2-CH2 4.32Å; V72-W122 HydrophobicContact CG2-CZ2 3.92Å; V72-W122 HydrophobicContact CG2-CZ3 4.31Å; V72-L124 VanDerWaalsContact CA-O 3.29Å; V72-L124 WeakPolarHBondContact CA-O 3.41Å; V72-V125 HydrophobicContact CG1-CG1 4.39Å; V72-V125 HydrophobicContact CG1-CG2 4.19Å |
| 73 | R | 94.4 | Very high | 89.8 | Confident | 57 Ų | 57 | 50.1 Ų | 50.1 | 22% | 0.215 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 164.7 | 173.5 | 65.7 | -174.4 | -177 | 91.6 | -3.5 | 110 | E46 W122 D123 L124 | E46-R73 IonicContact OE1-CZ 2.86Å; E46-R73 IonicContact OE1-NE 2.91Å; E46-R73 PolarHBondContact OE1-NE 3.02Å; E46-R73 IonicContact OE1-NH2 2.83Å; E46-R73 PolarHBondContact OE1-NH2 2.98Å; E46-R73 VanDerWaalsContact OE1-NH2 3.11Å; E46-R73 IonicContact OE2-CZ 2.7Å; E46-R73 IonicContact OE2-NE 3.44Å; E46-R73 IonicContact OE2-NH2 3.07Å; E46-R73 PolarHBondContact OE2-NH2 3.46Å; R73-W122 VanDerWaalsContact C-CE3 3.5Å; R73-D123 VanDerWaalsContact O-OD1 3.05Å; R73-L124 HydrophobicContact CG-CB 3.62Å; R73-L124 HydrophobicContact CG-CD1 4.03Å; R73-L124 HydrophobicContact CG-CG 4.47Å; R73-L124 PolarHBondContact N-O 3.01Å; R73-L124 VanDerWaalsContact NH1-CD1 3.27Å; R73-L124 WeakPolarHBondContact O-CB 3.47Å; R73-L124 PolarHBondContact O-N 2.87Å |
| 74 | R | 92.6 | Very high | 89.9 | Confident | 104 Ų | 104 | 49.3 Ų | 49.3 | 39% | 0.392 | 29% | 0.288 | S | S | . | . | trans | -94.8 | 140.9 | 169.1 | -68.8 | -176.5 | 179 | 169.8 | 5.7 | 109.4 | A76 S77 K121 W122 D123 | R74-A76 PolarHBondContact O-N 3.43Å; R74-S77 PolarHBondContact N-OG 3.11Å; R74-S77 PolarHBondContact O-N 2.96Å; R74-S77 VanDerWaalsContact O-N 3.11Å; R74-S77 VanDerWaalsContact O-O 3.1Å; R74-S77 PolarHBondContact O-OG 3.17Å; R74-K121 PolarHBondContact NE-O 2.75Å; R74-K121 PolarHBondContact NH2-O 2.86Å; R74-W122 HydrophobicContact CG-CE3 3.88Å; R74-W122 HydrophobicContact CG-CZ3 4.12Å; R74-D123 VanDerWaalsContact C-OD1 3.29Å; R74-D123 WeakPolarHBondContact CA-OD1 3.37Å | ||
| 75 | S | 88.9 | Confident | 90 | Very high | 81 Ų | 81 | 49.4 Ų | 49.4 | 57% | 0.566 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -27.5 | 174.5 | 63.8 | 0 | 0 | 0 | 0 | 112.2 | D123 | S75-D123 WeakPolarHBondContact CB-OD2 3.43Å; S75-D123 VanDerWaalsContact N-CG 3.26Å; S75-D123 PolarHBondContact N-OD1 3.13Å; S75-D123 PolarHBondContact N-OD2 3.3Å; S75-D123 PolarHBondContact OG-OD2 3.1Å |
| 76 | A | 84.4 | Confident | 90 | Very high | 98 Ų | 98 | 52.3 Ų | 52.3 | 81% | 0.81 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -21.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R74 | R74-A76 PolarHBondContact O-N 3.43Š|
| 77 | S | 77.6 | Confident | 89.9 | Confident | 43 Ų | 43 | 55.6 Ų | 55.6 | 30% | 0.301 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -97.2 | 121.9 | 178.6 | 56.4 | 0 | 0 | 0 | 0 | 109.9 | R74 D79 | R74-S77 PolarHBondContact N-OG 3.11Å; R74-S77 PolarHBondContact O-N 2.96Å; R74-S77 VanDerWaalsContact O-N 3.11Å; R74-S77 VanDerWaalsContact O-O 3.1Å; R74-S77 PolarHBondContact O-OG 3.17Å; S77-D79 PolarHBondContact O-N 3.15Å |
| 78 | S | 67 | Low | 89.9 | Confident | 112 Ų | 112 | 53.7 Ų | 53.7 | 78% | 0.783 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -79 | -13.9 | -167.2 | 56.7 | 0 | 0 | 0 | 0 | 116.3 | ||
| 79 | D | 62.3 | Low | 89.8 | Confident | 143 Ų | 143 | 56.3 Ų | 56.3 | 77% | 0.765 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -147.3 | -6.6 | -172.3 | -98.7 | -35.4 | 0 | 0 | 0 | 119.2 | S77 | S77-D79 PolarHBondContact O-N 3.15Š|
| 80 | D | 79.1 | Confident | 89.7 | Confident | 126 Ų | 126 | 54.1 Ų | 54.1 | 67% | 0.674 | 33% | 0.332 | S | S | * | . | trans | -107.9 | 92.9 | -171.8 | -63.8 | -27.4 | 0 | 0 | 0 | 112.7 | S82 | D80-S82 PolarHBondContact O-N 2.78Š| ||
| 81 | S | 89.5 | Confident | 89.6 | Confident | 57 Ų | 57 | 54.2 Ų | 54.2 | 40% | 0.399 | 33% | 0.333 | S | S | . | . | trans | -73.3 | 116.7 | 166.2 | -63 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 82 | S | 93.6 | Very high | 89.4 | Confident | 38 Ų | 38 | 55 Ų | 55 | 27% | 0.266 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 139.7 | 178.6 | -64.4 | 0 | 0 | 0 | 0 | 110.4 | L71 V72 D80 L84 | L71-S82 CarbonylContact C-O 3.53Å; L71-S82 VanDerWaalsContact CA-O 3.24Å; L71-S82 WeakPolarHBondContact CA-O 3.42Å; V72-S82 PolarHBondContact N-O 3.24Å; V72-S82 PolarHBondContact O-N 3.16Å; D80-S82 PolarHBondContact O-N 2.78Å; S82-L84 PolarHBondContact O-N 3.37Å |
| 83 | V | 96 | Very high | 89.3 | Confident | 40 Ų | 40 | 57.9 Ų | 57.9 | 24% | 0.242 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 111.7 | -178.2 | -178.8 | 0 | 0 | 0 | 0 | 110.1 | E69 L71 P86 I114 I117 | E69-V83 HydrophobicContact CG-CG1 4.27Å; E69-V83 WeakPolarHBondContact OE1-CG2 3.46Å; L71-V83 HydrophobicContact CD2-CG2 4.09Å; L71-V83 HydrophobicContact CG-CG2 4.34Å; V83-P86 HydrophobicContact CG1-CG 4.47Å; V83-I114 HydrophobicContact CB-CD1 4.38Å; V83-I114 HydrophobicContact CG1-CD1 4.46Å; V83-I114 VanDerWaalsContact O-CD1 3.25Å; V83-I114 WeakPolarHBondContact O-CD1 3.27Å; V83-I117 WeakPolarHBondContact O-CD1 3.49Å |
| 84 | L | 96.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | -48.5 | 174.7 | 177.2 | 67.3 | 0 | 0 | 0 | 111.2 | I55 V70 V72 S82 F113 I114 I117 A118 | I55-L84 HydrophobicContact CB-CD2 4.23Å; I55-L84 HydrophobicContact CD1-CD2 3.92Å; I55-L84 HydrophobicContact CG2-CD2 4.3Å; V70-L84 PolarHBondContact O-N 3.35Å; V72-L84 HydrophobicContact CG1-CB 3.79Å; V72-L84 HydrophobicContact CG1-CD2 3.82Å; V72-L84 HydrophobicContact CG1-CG 4.37Å; V72-L84 HydrophobicContact CG2-CB 4.01Å; S82-L84 PolarHBondContact O-N 3.37Å; L84-F113 HydrophobicContact CD1-CB 4.01Å; L84-F113 HydrophobicContact CD1-CD2 4.35Å; L84-F113 HydrophobicContact CD1-CG 4.09Å; L84-F113 HydrophobicContact CG-CD1 4.27Å; L84-F113 HydrophobicContact CG-CG 4.27Å; L84-F113 WeakPolarHBondContact O-CA 3.39Å; L84-I114 PolarHBondContact O-N 2.64Å; L84-I114 VanDerWaalsContact O-N 3.14Å; L84-I117 HydrophobicContact CB-CG2 4.31Å; L84-I117 HydrophobicContact CD1-CG2 4.03Å; L84-A118 HydrophobicContact CD1-CB 4.1Å |
| 85 | L | 96.1 | Very high | 89.4 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.016 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 113.7 | 177.6 | -177.8 | 67.7 | 0 | 0 | 0 | 108.8 | I60 V70 F108 F113 | I60-L85 HydrophobicContact CD1-CD2 4.37Å; V70-L85 HydrophobicContact CB-CB 3.82Å; V70-L85 HydrophobicContact CG2-CB 3.96Å; V70-L85 HydrophobicContact CG2-CD2 3.95Å; V70-L85 PolarHBondContact N-O 2.72Å; V70-L85 PolarHBondContact O-N 2.87Å; L85-F108 HydrophobicContact CD1-CB 4.49Å; L85-F108 HydrophobicContact CD1-CD1 3.53Å; L85-F108 HydrophobicContact CD1-CE1 3.94Å; L85-F108 HydrophobicContact CD1-CG 4.08Å; L85-F108 HydrophobicContact CD2-CD1 3.7Å; L85-F108 HydrophobicContact CD2-CD2 3.8Å; L85-F108 HydrophobicContact CD2-CE1 3.71Å; L85-F108 HydrophobicContact CD2-CE2 3.84Å; L85-F108 HydrophobicContact CD2-CG 3.73Å; L85-F108 HydrophobicContact CD2-CZ 3.78Å; L85-F108 HydrophobicContact CG-CD1 4.27Å; L85-F108 HydrophobicContact CG-CE1 4.39Å; L85-F113 HydrophobicContact CB-CD1 4.4Å; L85-F113 HydrophobicContact CD1-CD1 4.17Å; L85-F113 HydrophobicContact CD1-CE1 4.33Å |
| 86 | P | 95 | Very high | 89.6 | Confident | 61 Ų | 61 | 51.6 Ų | 51.6 | 40% | 0.396 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 157.7 | 172.6 | -24.1 | 34 | 0 | 0 | 0 | 112.1 | V83 S88 I114 | V83-P86 HydrophobicContact CG1-CG 4.47Å; P86-S88 PolarHBondContact O-N 3.38Å; P86-S88 PolarHBondContact O-OG 2.83Å; P86-I114 HydrophobicContact CG-CD1 4.32Å; P86-I114 HydrophobicContact CG-CG1 4.34Å |
| 87 | S | 95.1 | Very high | 90 | Very high | 69 Ų | 69 | 53.6 Ų | 53.6 | 48% | 0.483 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -48.4 | 107.1 | 179.9 | -162.5 | 0 | 0 | 0 | 0 | 112.2 | F67 | F67-S87 WeakPolarHBondContact CB-OG 3.34Å |
| 88 | S | 96.1 | Very high | 90.7 | Very high | 19 Ų | 19 | 57 Ų | 57 | 13% | 0.133 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 135.4 | -172.5 | -72.7 | 0 | 0 | 0 | 0 | 110 | F67 I68 P86 F90 | F67-S88 VanDerWaalsContact CA-O 3.27Å; F67-S88 WeakPolarHBondContact CA-O 3.48Å; I68-S88 PolarHBondContact N-O 2.9Å; I68-S88 PolarHBondContact O-N 3.46Å; P86-S88 PolarHBondContact O-N 3.38Å; P86-S88 PolarHBondContact O-OG 2.83Å; S88-F90 VanDerWaalsContact O-CD2 3.24Å; S88-F90 WeakPolarHBondContact O-CD2 3.42Å |
| 89 | S | 95.5 | Very high | 91.8 | Very high | 54 Ų | 54 | 53.1 Ų | 53.1 | 38% | 0.378 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 128.3 | -179.7 | 179.5 | 0 | 0 | 0 | 0 | 112.3 | A66 M91 R106 | A66-S89 CarbonylContact O-C 3.31Å; A66-S89 WeakPolarHBondContact O-CA 3.4Å; S89-M91 PolarHBondContact OG-O 2.91Å; S89-R106 WeakPolarHBondContact O-CD 3.3Å; S89-R106 PolarHBondContact O-NH1 2.98Å |
| 90 | F | 95.6 | Very high | 93.3 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.018 | 30% | 0.298 | C | S | . | . | trans | -112.6 | -18.2 | 175 | -76.3 | -104.3 | 0 | 0 | 0 | 113.1 | I60 N62 S65 A66 I68 S88 R106 F108 | I60-F90 HydrophobicContact CB-CE1 3.81Å; I60-F90 HydrophobicContact CB-CZ 3.82Å; I60-F90 HydrophobicContact CD1-CZ 4.05Å; I60-F90 HydrophobicContact CG1-CZ 4.48Å; I60-F90 HydrophobicContact CG2-CE1 3.78Å; I60-F90 HydrophobicContact CG2-CZ 3.83Å; N62-F90 HydrophobicContact CB-CB 4.21Å; N62-F90 HydrophobicContact CB-CD1 3.92Å; N62-F90 HydrophobicContact CB-CG 4.43Å; N62-F90 WeakPolarHBondContact ND2-CB 3.42Å; S65-F90 WeakPolarHBondContact O-CB 3.36Å; A66-F90 PolarHBondContact O-N 3.47Å; I68-F90 HydrophobicContact CB-CD2 3.88Å; I68-F90 HydrophobicContact CB-CE2 3.54Å; I68-F90 HydrophobicContact CB-CZ 4.23Å; I68-F90 HydrophobicContact CD1-CD1 4.17Å; I68-F90 HydrophobicContact CD1-CD2 3.8Å; I68-F90 HydrophobicContact CD1-CE1 4.1Å; I68-F90 HydrophobicContact CD1-CE2 3.81Å; I68-F90 HydrophobicContact CD1-CG 3.99Å; I68-F90 HydrophobicContact CD1-CZ 3.9Å; I68-F90 HydrophobicContact CG1-CD2 3.7Å; I68-F90 HydrophobicContact CG1-CE2 3.82Å; I68-F90 HydrophobicContact CG1-CG 4.29Å; I68-F90 HydrophobicContact CG1-CZ 4.4Å; S88-F90 VanDerWaalsContact O-CD2 3.24Å; S88-F90 WeakPolarHBondContact O-CD2 3.42Å; F90-R106 HydrophobicContact CD1-CB 4.15Å; F90-R106 HydrophobicContact CD1-CG 3.77Å; F90-R106 HydrophobicContact CE1-CB 3.57Å; F90-R106 HydrophobicContact CE1-CG 3.73Å; F90-R106 HydrophobicContact CG-CG 4.49Å; F90-R106 HydrophobicContact CZ-CB 4.02Å; F90-R106 HydrophobicContact CZ-CG 4.35Å; F90-F108 HydrophobicContact CE1-CE2 4.26Å; F90-F108 HydrophobicContact CE1-CZ 4.47Å; F90-F108 HydrophobicContact CE2-CE2 4.26Å; F90-F108 AromaticContact CE2-CZ 3.92Å; F90-F108 HydrophobicContact CE2-CZ 3.92Å; F90-F108 AromaticContact CZ-CE2 3.53Å; F90-F108 HydrophobicContact CZ-CE2 3.53Å; F90-F108 AromaticContact CZ-CZ 3.61Å; F90-F108 HydrophobicContact CZ-CZ 3.61Å | ||
| 91 | M | 94 | Very high | 93.7 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -137.2 | 144.5 | 174.3 | -60.1 | 178.2 | 70.6 | 0 | 0 | 111 | N62 G64 S65 A66 S89 D95 A96 T100 L102 | N62-M91 VanDerWaalsContact ND2-CG 3.34Å; N62-M91 WeakPolarHBondContact ND2-CG 3.38Å; G64-M91 VanDerWaalsContact CA-SD 3.52Å; S65-M91 WeakPolarHBondContact O-CG 3.48Å; A66-M91 PolarHBondContact O-N 3.37Å; S89-M91 PolarHBondContact OG-O 2.91Å; M91-D95 HydrophobicContact CB-CB 4.36Å; M91-D95 HydrophobicContact CE-CB 4.01Å; M91-A96 HydrophobicContact CE-CB 4.17Å; M91-T100 WeakPolarHBondContact CE-O 3.15Å; M91-L102 HydrophobicContact CE-CD2 3.58Å; M91-L102 HydrophobicContact SD-CD2 4.28Å |
| 92 | S | 93.5 | Very high | 93.8 | Very high | 43 Ų | 43 | 47.6 Ų | 47.6 | 30% | 0.301 | 29% | 0.285 | S | S | . | . | trans | -74.4 | 158.3 | 167.4 | 74.1 | 0 | 0 | 0 | 0 | 110.6 | V94 D95 A96 | S92-V94 PolarHBondContact O-N 2.81Å; S92-V94 PolarHBondContact OG-N 3.09Å; S92-D95 WeakPolarHBondContact CB-OD2 3.47Å; S92-D95 PolarHBondContact N-OD2 3.07Å; S92-D95 PolarHBondContact O-N 3.36Å; S92-D95 WeakPolarHBondContact OG-CB 3.47Å; S92-D95 PolarHBondContact OG-N 2.78Å; S92-D95 PolarHBondContact OG-OD2 2.9Å; S92-A96 PolarHBondContact O-N 2.9Å | ||
| 93 | P | 93.5 | Very high | 93.8 | Very high | 60 Ų | 60 | 50 Ų | 50 | 39% | 0.39 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57.1 | -29.2 | 172.4 | -24.1 | 32.5 | 0 | 0 | 0 | 113.7 | K97 F133 | P93-K97 VanDerWaalsContact O-CG 3.26Å; P93-K97 WeakPolarHBondContact O-CG 3.23Å; P93-K97 PolarHBondContact O-N 2.9Å; P93-F133 HydrophobicContact CB-CD1 3.89Å; P93-F133 HydrophobicContact CB-CD2 4.19Å; P93-F133 HydrophobicContact CB-CE1 4.07Å; P93-F133 HydrophobicContact CB-CE2 4.34Å; P93-F133 HydrophobicContact CB-CG 3.96Å; P93-F133 HydrophobicContact CB-CZ 4.29Å; P93-F133 HydrophobicContact CG-CD1 4.17Å; P93-F133 HydrophobicContact CG-CD2 4.29Å; P93-F133 HydrophobicContact CG-CE1 3.83Å; P93-F133 HydrophobicContact CG-CE2 3.94Å; P93-F133 HydrophobicContact CG-CG 4.4Å; P93-F133 HydrophobicContact CG-CZ 3.7Å |
| 94 | V | 94.1 | Very high | 93.6 | Very high | 87 Ų | 87 | 54.9 Ų | 54.9 | 53% | 0.527 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -73.8 | -47.3 | 178 | 179.7 | 0 | 0 | 0 | 0 | 110.2 | S92 A96 K97 N98 | S92-V94 PolarHBondContact O-N 2.81Å; S92-V94 PolarHBondContact OG-N 3.09Å; V94-A96 VanDerWaalsContact C-N 3.28Å; V94-A96 PolarHBondContact O-N 3.06Å; V94-K97 PolarHBondContact O-N 3.03Å; V94-N98 WeakPolarHBondContact O-CB 3.27Å; V94-N98 PolarHBondContact O-N 2.85Å |
| 95 | D | 94.7 | Very high | 93.5 | Very high | 23 Ų | 23 | 58.3 Ų | 58.3 | 12% | 0.123 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58 | -43.5 | 176.4 | -70.9 | -53.8 | 0 | 0 | 0 | 111.5 | M91 S92 N98 G99 T100 N101 | M91-D95 HydrophobicContact CB-CB 4.36Å; M91-D95 HydrophobicContact CE-CB 4.01Å; S92-D95 WeakPolarHBondContact CB-OD2 3.47Å; S92-D95 PolarHBondContact N-OD2 3.07Å; S92-D95 PolarHBondContact O-N 3.36Å; S92-D95 WeakPolarHBondContact OG-CB 3.47Å; S92-D95 PolarHBondContact OG-N 2.78Å; S92-D95 PolarHBondContact OG-OD2 2.9Å; D95-N98 PolarHBondContact O-N 2.73Å; D95-G99 WeakPolarHBondContact O-CA 3.29Å; D95-G99 PolarHBondContact O-N 3.05Å; D95-T100 WeakPolarHBondContact CA-OG1 3.36Å; D95-T100 PolarHBondContact O-N 2.86Å; D95-T100 VanDerWaalsContact O-N 3.07Å; D95-T100 PolarHBondContact OD1-OG1 3.46Å; D95-N101 PolarHBondContact OD1-ND2 2.86Å |
| 96 | A | 93.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.3 | -40.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | M91 S92 V94 F133 N134 | M91-A96 HydrophobicContact CE-CB 4.17Å; S92-A96 PolarHBondContact O-N 2.9Å; V94-A96 VanDerWaalsContact C-N 3.28Å; V94-A96 PolarHBondContact O-N 3.06Å; A96-F133 HydrophobicContact CB-CB 3.63Å; A96-F133 HydrophobicContact CB-CD2 4.01Å; A96-F133 HydrophobicContact CB-CG 4.3Å; A96-N134 VanDerWaalsContact O-CB 3.27Å; A96-N134 WeakPolarHBondContact O-CB 3.18Å; A96-N134 PolarHBondContact O-ND2 3.43Å |
| 97 | K | 93.2 | Very high | 93.5 | Very high | 140 Ų | 140 | 61.7 Ų | 61.7 | 61% | 0.609 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -67.6 | -37.7 | 176.9 | -75.4 | 173.6 | -176.9 | 179.8 | 0 | 112.4 | P93 V94 | P93-K97 VanDerWaalsContact O-CG 3.26Å; P93-K97 WeakPolarHBondContact O-CG 3.23Å; P93-K97 PolarHBondContact O-N 2.9Å; V94-K97 PolarHBondContact O-N 3.03Å |
| 98 | N | 92.6 | Very high | 93.5 | Very high | 115 Ų | 115 | 58.4 Ų | 58.4 | 62% | 0.615 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -89.9 | -10.4 | -176.7 | -64.2 | -10.7 | 0 | 0 | 0 | 113.4 | V94 D95 T100 | V94-N98 WeakPolarHBondContact O-CB 3.27Å; V94-N98 PolarHBondContact O-N 2.85Å; D95-N98 PolarHBondContact O-N 2.73Å; N98-T100 VanDerWaalsContact C-N 3.32Å; N98-T100 HydrophobicContact CB-CG2 4.19Å |
| 99 | G | 90.1 | Very high | 93.3 | Very high | 31 Ų | 31 | 59.7 Ų | 59.7 | 32% | 0.32 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 23 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D95 L102 | D95-G99 WeakPolarHBondContact O-CA 3.29Å; D95-G99 PolarHBondContact O-N 3.05Å; G99-L102 WeakPolarHBondContact O-CG 3.46Å |
| 100 | T | 92.1 | Very high | 93 | Very high | 59 Ų | 59 | 58.8 Ų | 58.8 | 36% | 0.362 | 33% | 0.326 | S | S | . | . | trans | -93.1 | 157.1 | -179.2 | 53.1 | 0 | 0 | 0 | 0 | 111.5 | M91 D95 N98 L102 | M91-T100 WeakPolarHBondContact CE-O 3.15Å; D95-T100 WeakPolarHBondContact CA-OG1 3.36Å; D95-T100 PolarHBondContact O-N 2.86Å; D95-T100 VanDerWaalsContact O-N 3.07Å; D95-T100 PolarHBondContact OD1-OG1 3.46Å; N98-T100 VanDerWaalsContact C-N 3.32Å; N98-T100 HydrophobicContact CB-CG2 4.19Å; T100-L102 VanDerWaalsContact C-N 3.26Å; T100-L102 PolarHBondContact O-N 2.95Å; T100-L102 VanDerWaalsContact O-N 3.16Å | ||
| 101 | N | 89.2 | Confident | 92.7 | Very high | 103 Ų | 103 | 64.4 Ų | 64.4 | 55% | 0.551 | 36% | 0.357 | S | S | * | . | S | Bend | trans | 55.8 | 32.5 | 173.7 | -61.3 | -53.4 | 0 | 0 | 0 | 115.4 | D95 N103 R104 | D95-N101 PolarHBondContact OD1-ND2 2.86Å; N101-N103 PolarHBondContact O-N 3.47Å; N101-N103 VanDerWaalsContact O-N 3.16Å; N101-R104 PolarHBondContact O-N 2.8Å |
| 102 | L | 91.5 | Very high | 92.6 | Very high | 48 Ų | 48 | 67.9 Ų | 67.9 | 25% | 0.251 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -29.5 | -175.5 | -58 | 179 | 0 | 0 | 0 | 113.9 | N62 N63 G64 M91 G99 T100 L137 | N62-L102 CarbonylContact C-O 3.56Å; N62-L102 VanDerWaalsContact C-O 3.31Å; N63-L102 VanDerWaalsContact CA-O 3.31Å; N63-L102 WeakPolarHBondContact CA-O 3.4Å; N63-L102 PolarHBondContact N-O 3.15Å; G64-L102 PolarHBondContact N-O 3.37Å; M91-L102 HydrophobicContact CE-CD2 3.58Å; M91-L102 HydrophobicContact SD-CD2 4.28Å; G99-L102 WeakPolarHBondContact O-CG 3.46Å; T100-L102 VanDerWaalsContact C-N 3.26Å; T100-L102 PolarHBondContact O-N 2.95Å; T100-L102 VanDerWaalsContact O-N 3.16Å; L102-L137 HydrophobicContact CD2-CD1 4.36Å; L102-L137 HydrophobicContact CD2-CD2 3.86Å |
| 103 | N | 92.7 | Very high | 92.6 | Very high | 89 Ų | 89 | 66.2 Ų | 66.2 | 48% | 0.476 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 25 | -171.5 | -58.3 | -39.4 | 0 | 0 | 0 | 113.9 | K32 N62 N101 V105 | K32-N103 VanDerWaalsContact NZ-CG 3.3Å; K32-N103 PolarHBondContact NZ-ND2 2.98Å; K32-N103 PolarHBondContact NZ-OD1 3.23Å; N62-N103 WeakPolarHBondContact O-CA 3.32Å; N101-N103 PolarHBondContact O-N 3.47Å; N101-N103 VanDerWaalsContact O-N 3.16Å; N103-V105 PolarHBondContact O-N 3.42Å |
| 104 | R | 91.4 | Very high | 92.6 | Very high | 141 Ų | 141 | 66.4 Ų | 66.4 | 53% | 0.532 | 36% | 0.357 | S | S | . | . | trans | -61.1 | 133.9 | -178.4 | -167.4 | 175.1 | -165 | 151 | 4 | 111.2 | N62 N101 | N62-R104 WeakPolarHBondContact CB-O 3.46Å; N62-R104 PolarHBondContact N-O 3.33Å; N101-R104 PolarHBondContact O-N 2.8Å | ||
| 105 | V | 94.7 | Very high | 92.4 | Very high | 73 Ų | 73 | 69.8 Ų | 69.8 | 44% | 0.442 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 136 | 175.1 | -174.6 | 0 | 0 | 0 | 0 | 109.3 | I60 N103 F143 | I60-V105 WeakPolarHBondContact O-CA 3.39Å; N103-V105 PolarHBondContact O-N 3.42Å; V105-F143 HydrophobicContact CB-CZ 4.37Å; V105-F143 HydrophobicContact CG1-CE2 4.28Å; V105-F143 HydrophobicContact CG1-CZ 3.8Å; V105-F143 HydrophobicContact CG2-CE1 3.85Å; V105-F143 HydrophobicContact CG2-CZ 3.59Å |
| 106 | R | 95.5 | Very high | 92.2 | Very high | 73 Ų | 73 | 72.6 Ų | 72.6 | 28% | 0.275 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 139.9 | 168 | -66.2 | -168.8 | 63.4 | -175.2 | -6.7 | 110.3 | I60 S89 F90 F108 | I60-R106 PolarHBondContact N-O 3.23Å; I60-R106 PolarHBondContact O-N 2.74Å; S89-R106 WeakPolarHBondContact O-CD 3.3Å; S89-R106 PolarHBondContact O-NH1 2.98Å; F90-R106 HydrophobicContact CD1-CB 4.15Å; F90-R106 HydrophobicContact CD1-CG 3.77Å; F90-R106 HydrophobicContact CE1-CB 3.57Å; F90-R106 HydrophobicContact CE1-CG 3.73Å; F90-R106 HydrophobicContact CG-CG 4.49Å; F90-R106 HydrophobicContact CZ-CB 4.02Å; F90-R106 HydrophobicContact CZ-CG 4.35Å; R106-F108 HydrophobicContact CB-CD2 4.46Å; R106-F108 HydrophobicContact CB-CE2 3.57Å; R106-F108 HydrophobicContact CB-CZ 3.7Å; R106-F108 HydrophobicContact CG-CZ 4.48Å |
| 107 | V | 95.7 | Very high | 92.2 | Very high | 62 Ų | 62 | 73.6 Ų | 73.6 | 38% | 0.376 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 125.5 | 177.1 | 172.7 | 0 | 0 | 0 | 0 | 107.8 | R57 D59 | R57-V107 HydrophobicContact CG-CG1 4.28Å; R57-V107 VanDerWaalsContact NE-CG1 3.27Å; D59-V107 WeakPolarHBondContact OD1-CG1 3.31Å |
| 108 | F | 95.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 124.4 | 176.7 | -56.7 | -89.2 | 0 | 0 | 0 | 108.9 | R57 L58 I60 L85 F90 R106 Q112 F113 | R57-F108 CarbonylContact C-O 3.55Å; R57-F108 VanDerWaalsContact CA-O 3.25Å; R57-F108 WeakPolarHBondContact CA-O 3.4Å; R57-F108 WeakPolarHBondContact CG-O 3.28Å; L58-F108 HydrophobicContact CB-CB 4.49Å; L58-F108 PolarHBondContact N-O 2.84Å; L58-F108 PolarHBondContact O-N 3.12Å; I60-F108 HydrophobicContact CD1-CD2 4.23Å; I60-F108 HydrophobicContact CD1-CE2 3.98Å; I60-F108 HydrophobicContact CG1-CD2 4.45Å; I60-F108 HydrophobicContact CG1-CE2 4.32Å; L85-F108 HydrophobicContact CD1-CB 4.49Å; L85-F108 HydrophobicContact CD1-CD1 3.53Å; L85-F108 HydrophobicContact CD1-CE1 3.94Å; L85-F108 HydrophobicContact CD1-CG 4.08Å; L85-F108 HydrophobicContact CD2-CD1 3.7Å; L85-F108 HydrophobicContact CD2-CD2 3.8Å; L85-F108 HydrophobicContact CD2-CE1 3.71Å; L85-F108 HydrophobicContact CD2-CE2 3.84Å; L85-F108 HydrophobicContact CD2-CG 3.73Å; L85-F108 HydrophobicContact CD2-CZ 3.78Å; L85-F108 HydrophobicContact CG-CD1 4.27Å; L85-F108 HydrophobicContact CG-CE1 4.39Å; F90-F108 HydrophobicContact CE1-CE2 4.26Å; F90-F108 HydrophobicContact CE1-CZ 4.47Å; F90-F108 HydrophobicContact CE2-CE2 4.26Å; F90-F108 AromaticContact CE2-CZ 3.92Å; F90-F108 HydrophobicContact CE2-CZ 3.92Å; F90-F108 AromaticContact CZ-CE2 3.53Å; F90-F108 HydrophobicContact CZ-CE2 3.53Å; F90-F108 AromaticContact CZ-CZ 3.61Å; F90-F108 HydrophobicContact CZ-CZ 3.61Å; R106-F108 HydrophobicContact CB-CD2 4.46Å; R106-F108 HydrophobicContact CB-CE2 3.57Å; R106-F108 HydrophobicContact CB-CZ 3.7Å; R106-F108 HydrophobicContact CG-CZ 4.48Å; F108-Q112 HydrophobicContact CD1-CB 4.46Å; F108-Q112 VanDerWaalsContact CD1-OE1 3.28Å; F108-F113 HydrophobicContact CB-CE1 3.54Å; F108-F113 HydrophobicContact CB-CZ 3.94Å |
| 109 | S | 91.6 | Very high | 92 | Very high | 47 Ų | 47 | 66.4 Ų | 66.4 | 33% | 0.329 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 169.7 | 175.4 | -64.6 | 0 | 0 | 0 | 0 | 109.9 | D111 Q112 | S109-D111 VanDerWaalsContact CB-OD1 3.25Å; S109-D111 WeakPolarHBondContact CB-OD1 3.25Å; S109-D111 PolarHBondContact O-N 3.25Å; S109-Q112 PolarHBondContact O-N 3.35Å |
| 110 | G | 87.9 | Confident | 92 | Very high | 34 Ų | 34 | 68.6 Ų | 68.6 | 35% | 0.351 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -16 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | S56 Q112 | S56-G110 PolarHBondContact O-N 2.71Å; G110-Q112 VanDerWaalsContact C-N 3.34Å |
| 111 | D | 89.6 | Confident | 92.1 | Very high | 123 Ų | 123 | 71.4 Ų | 71.4 | 66% | 0.658 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -26.5 | 173.7 | 65.1 | -35 | 0 | 0 | 0 | 113.6 | S109 | S109-D111 VanDerWaalsContact CB-OD1 3.25Å; S109-D111 WeakPolarHBondContact CB-OD1 3.25Å; S109-D111 PolarHBondContact O-N 3.25Å |
| 112 | Q | 91.6 | Very high | 92.4 | Very high | 75 Ų | 75 | 67.1 Ų | 67.1 | 35% | 0.35 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -12.1 | 180 | -69.5 | 167.3 | 78.1 | 0 | 0 | 113.1 | F108 S109 G110 | F108-Q112 HydrophobicContact CD1-CB 4.46Å; F108-Q112 VanDerWaalsContact CD1-OE1 3.28Å; S109-Q112 PolarHBondContact O-N 3.35Å; G110-Q112 VanDerWaalsContact C-N 3.34Å |
| 113 | F | 94.2 | Very high | 92.5 | Very high | 8 Ų | 8 | 65.7 Ų | 65.7 | 4% | 0.035 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -84.1 | 155.8 | 177.1 | -57.3 | -30.4 | 0 | 0 | 0 | 111.8 | I55 L58 L84 L85 F108 K115 A118 | I55-F113 HydrophobicContact CG2-CE2 4.21Å; I55-F113 HydrophobicContact CG2-CZ 4.49Å; L58-F113 HydrophobicContact CB-CE1 4.25Å; L58-F113 HydrophobicContact CB-CZ 3.7Å; L84-F113 HydrophobicContact CD1-CB 4.01Å; L84-F113 HydrophobicContact CD1-CD2 4.35Å; L84-F113 HydrophobicContact CD1-CG 4.09Å; L84-F113 HydrophobicContact CG-CD1 4.27Å; L84-F113 HydrophobicContact CG-CG 4.27Å; L84-F113 WeakPolarHBondContact O-CA 3.39Å; L85-F113 HydrophobicContact CB-CD1 4.4Å; L85-F113 HydrophobicContact CD1-CD1 4.17Å; L85-F113 HydrophobicContact CD1-CE1 4.33Å; F108-F113 HydrophobicContact CB-CE1 3.54Å; F108-F113 HydrophobicContact CB-CZ 3.94Å; F113-K115 PolarHBondContact O-N 2.68Å; F113-A118 HydrophobicContact CB-CB 3.8Å; F113-A118 HydrophobicContact CD2-CB 4.31Å |
| 114 | I | 92.9 | Very high | 92.7 | Very high | 63 Ų | 63 | 61.9 Ų | 61.9 | 32% | 0.323 | 33% | 0.325 | S | S | . | . | trans | -68.4 | 108 | 170.1 | -55.6 | -168.4 | 0 | 0 | 0 | 108.4 | V83 L84 P86 S116 I117 A118 | V83-I114 HydrophobicContact CB-CD1 4.38Å; V83-I114 HydrophobicContact CG1-CD1 4.46Å; V83-I114 VanDerWaalsContact O-CD1 3.25Å; V83-I114 WeakPolarHBondContact O-CD1 3.27Å; L84-I114 PolarHBondContact O-N 2.64Å; L84-I114 VanDerWaalsContact O-N 3.14Å; P86-I114 HydrophobicContact CG-CD1 4.32Å; P86-I114 HydrophobicContact CG-CG1 4.34Å; I114-S116 VanDerWaalsContact C-N 3.28Å; I114-S116 WeakPolarHBondContact CG2-OG 3.32Å; I114-S116 PolarHBondContact O-N 2.97Å; I114-S116 VanDerWaalsContact O-N 3.15Å; I114-I117 HydrophobicContact CB-CB 4.42Å; I114-I117 HydrophobicContact CB-CD1 4.12Å; I114-I117 HydrophobicContact CD1-CD1 4.37Å; I114-I117 HydrophobicContact CG2-CD1 3.99Å; I114-I117 HydrophobicContact CG2-CG1 4.29Å; I114-I117 PolarHBondContact O-N 2.95Å; I114-A118 PolarHBondContact O-N 3.06Å | ||
| 115 | K | 90.6 | Very high | 92.9 | Very high | 158 Ų | 158 | 55.1 Ų | 55.1 | 69% | 0.687 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -51.9 | -40.8 | -171.9 | -64.6 | -176.8 | -180 | -179.8 | 0 | 114.2 | F113 I117 A118 C119 | F113-K115 PolarHBondContact O-N 2.68Å; K115-I117 PolarHBondContact O-N 3.22Å; K115-A118 PolarHBondContact O-N 2.99Å; K115-C119 PolarHBondContact O-N 2.74Å; K115-C119 PolarHBondContact O-SG 3.2Å; K115-C119 VanDerWaalsContact O-SG 3.35Å |
| 116 | S | 91.4 | Very high | 93 | Very high | 83 Ų | 83 | 55 Ų | 55 | 58% | 0.58 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -64.1 | -24.6 | 179.5 | 53.9 | 0 | 0 | 0 | 0 | 113.8 | I114 Q120 | I114-S116 VanDerWaalsContact C-N 3.28Å; I114-S116 WeakPolarHBondContact CG2-OG 3.32Å; I114-S116 PolarHBondContact O-N 2.97Å; I114-S116 VanDerWaalsContact O-N 3.15Å; S116-Q120 PolarHBondContact O-NE2 3.45Å |
| 117 | I | 91.9 | Very high | 93.1 | Very high | 20 Ų | 20 | 51.5 Ų | 51.5 | 10% | 0.103 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -97.1 | -39.2 | -179.7 | -64.7 | 167.7 | 0 | 0 | 0 | 109.6 | V72 V83 L84 I114 K115 C119 Q120 W122 | V72-I117 HydrophobicContact CG2-CG2 3.42Å; V72-I117 VanDerWaalsContact CG2-CG2 3.42Å; V83-I117 WeakPolarHBondContact O-CD1 3.49Å; L84-I117 HydrophobicContact CB-CG2 4.31Å; L84-I117 HydrophobicContact CD1-CG2 4.03Å; I114-I117 HydrophobicContact CB-CB 4.42Å; I114-I117 HydrophobicContact CB-CD1 4.12Å; I114-I117 HydrophobicContact CD1-CD1 4.37Å; I114-I117 HydrophobicContact CG2-CD1 3.99Å; I114-I117 HydrophobicContact CG2-CG1 4.29Å; I114-I117 PolarHBondContact O-N 2.95Å; K115-I117 PolarHBondContact O-N 3.22Å; I117-C119 VanDerWaalsContact C-N 3.34Å; I117-C119 PolarHBondContact O-N 3.34Å; I117-Q120 WeakPolarHBondContact O-CB 3.14Å; I117-Q120 PolarHBondContact O-N 3.33Å; I117-Q120 VanDerWaalsContact O-N 3.11Å; I117-W122 HydrophobicContact CB-CZ2 4.39Å; I117-W122 HydrophobicContact CG2-CZ2 3.62Å; I117-W122 PolarHBondContact O-NE1 3.34Å |
| 118 | A | 90.9 | Very high | 93.1 | Very high | 11 Ų | 11 | 49.3 Ų | 49.3 | 9% | 0.091 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.6 | -35.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | E54 L84 F113 I114 K115 Q120 | E54-A118 WeakPolarHBondContact CG-O 3.37Å; L84-A118 HydrophobicContact CD1-CB 4.1Å; F113-A118 HydrophobicContact CB-CB 3.8Å; F113-A118 HydrophobicContact CD2-CB 4.31Å; I114-A118 PolarHBondContact O-N 3.06Å; K115-A118 PolarHBondContact O-N 2.99Å; A118-Q120 PolarHBondContact O-N 3.32Å |
| 119 | C | 90 | Very high | 93.2 | Very high | 93 Ų | 93 | 49.3 Ų | 49.3 | 63% | 0.628 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -1.6 | 177 | -61.7 | 0 | 0 | 0 | 0 | 114 | K115 I117 | K115-C119 PolarHBondContact O-N 2.74Å; K115-C119 PolarHBondContact O-SG 3.2Å; K115-C119 VanDerWaalsContact O-SG 3.35Å; I117-C119 VanDerWaalsContact C-N 3.34Å; I117-C119 PolarHBondContact O-N 3.34Å |
| 120 | Q | 92.1 | Very high | 93.4 | Very high | 77 Ų | 77 | 48 Ų | 48 | 36% | 0.36 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -100.9 | 157.2 | 178.9 | -59.3 | -176 | 39.8 | 0 | 0 | 111 | S116 I117 A118 W122 | S116-Q120 PolarHBondContact O-NE2 3.45Å; I117-Q120 WeakPolarHBondContact O-CB 3.14Å; I117-Q120 PolarHBondContact O-N 3.33Å; I117-Q120 VanDerWaalsContact O-N 3.11Å; A118-Q120 PolarHBondContact O-N 3.32Å; Q120-W122 HydrophobicContact CB-CZ2 3.73Å; Q120-W122 HydrophobicContact CG-CZ2 4.31Å; Q120-W122 PolarHBondContact O-NE1 2.97Å |
| 121 | K | 93.4 | Very high | 93.7 | Very high | 119 Ų | 119 | 46.6 Ų | 46.6 | 52% | 0.517 | 24% | 0.242 | S | C | . | . | trans | -89.6 | 134.9 | 173.1 | -63.5 | -175.3 | 176 | -171.2 | 0 | 111.7 | P52 V53 E54 R74 | P52-K121 HydrophobicContact CB-CB 3.75Å; V53-K121 WeakPolarHBondContact O-CA 3.49Å; E54-K121 HydrophobicContact CB-CG 4.3Å; R74-K121 PolarHBondContact NE-O 2.75Å; R74-K121 PolarHBondContact NH2-O 2.86Å | ||
| 122 | W | 94.9 | Very high | 93.9 | Very high | 12 Ų | 12 | 44.3 Ų | 44.3 | 5% | 0.045 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 139.3 | -175.7 | -54.9 | 100.5 | 0 | 0 | 0 | 110.8 | P52 V53 V72 R73 R74 I117 Q120 | P52-W122 CarbonylContact C-O 3.53Å; P52-W122 WeakPolarHBondContact CA-O 3.44Å; V53-W122 PolarHBondContact N-O 2.59Å; V53-W122 PolarHBondContact O-N 3.32Å; V72-W122 HydrophobicContact CB-CB 3.98Å; V72-W122 HydrophobicContact CB-CD2 3.67Å; V72-W122 HydrophobicContact CB-CE3 4.02Å; V72-W122 HydrophobicContact CB-CG 3.63Å; V72-W122 HydrophobicContact CG1-CB 4.34Å; V72-W122 HydrophobicContact CG1-CG 4.19Å; V72-W122 HydrophobicContact CG2-CD2 3.45Å; V72-W122 VanDerWaalsContact CG2-CD2 3.45Å; V72-W122 VanDerWaalsContact CG2-CE2 3.45Å; V72-W122 HydrophobicContact CG2-CE3 3.91Å; V72-W122 HydrophobicContact CG2-CG 3.78Å; V72-W122 HydrophobicContact CG2-CH2 4.32Å; V72-W122 HydrophobicContact CG2-CZ2 3.92Å; V72-W122 HydrophobicContact CG2-CZ3 4.31Å; R73-W122 VanDerWaalsContact C-CE3 3.5Å; R74-W122 HydrophobicContact CG-CE3 3.88Å; R74-W122 HydrophobicContact CG-CZ3 4.12Å; I117-W122 HydrophobicContact CB-CZ2 4.39Å; I117-W122 HydrophobicContact CG2-CZ2 3.62Å; I117-W122 PolarHBondContact O-NE1 3.34Å; Q120-W122 HydrophobicContact CB-CZ2 3.73Å; Q120-W122 HydrophobicContact CG-CZ2 4.31Å; Q120-W122 PolarHBondContact O-NE1 2.97Å |
| 123 | D | 94.5 | Very high | 94 | Very high | 18 Ų | 18 | 43.9 Ų | 43.9 | 10% | 0.096 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | -12.7 | 178.5 | 57.6 | 6 | 0 | 0 | 0 | 112.5 | S48 F49 P52 R73 R74 S75 | S48-D123 CarbonylContact C-O 3.56Å; S48-D123 WeakPolarHBondContact CA-O 3.46Å; F49-D123 PolarHBondContact N-O 3.04Å; P52-D123 HydrophobicContact CB-CB 4.46Å; P52-D123 HydrophobicContact CG-CB 4.24Å; R73-D123 VanDerWaalsContact O-OD1 3.05Å; R74-D123 VanDerWaalsContact C-OD1 3.29Å; R74-D123 WeakPolarHBondContact CA-OD1 3.37Å; S75-D123 WeakPolarHBondContact CB-OD2 3.43Å; S75-D123 VanDerWaalsContact N-CG 3.26Å; S75-D123 PolarHBondContact N-OD1 3.13Å; S75-D123 PolarHBondContact N-OD2 3.3Å; S75-D123 PolarHBondContact OG-OD2 3.1Å |
| 124 | L | 95.3 | Very high | 93.8 | Very high | 9 Ų | 9 | 44.7 Ų | 44.7 | 5% | 0.047 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 130 | -179.2 | -68.3 | 165.9 | 0 | 0 | 0 | 110.4 | V10 L47 S48 V72 R73 | V10-L124 HydrophobicContact CB-CD2 4.46Å; V10-L124 HydrophobicContact CG2-CD2 3.61Å; L47-L124 WeakPolarHBondContact O-CA 3.21Å; S48-L124 VanDerWaalsContact CB-CD2 3.48Å; V72-L124 VanDerWaalsContact CA-O 3.29Å; V72-L124 WeakPolarHBondContact CA-O 3.41Å; R73-L124 HydrophobicContact CG-CB 3.62Å; R73-L124 HydrophobicContact CG-CD1 4.03Å; R73-L124 HydrophobicContact CG-CG 4.47Å; R73-L124 PolarHBondContact N-O 3.01Å; R73-L124 VanDerWaalsContact NH1-CD1 3.27Å; R73-L124 WeakPolarHBondContact O-CB 3.47Å; R73-L124 PolarHBondContact O-N 2.87Å |
| 125 | V | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 125.9 | 178.5 | -172.4 | 0 | 0 | 0 | 0 | 109.2 | E46 L47 F49 I55 V70 L71 V72 F127 F146 | E46-V125 CarbonylContact C-O 3.6Å; E46-V125 WeakPolarHBondContact CA-O 3.48Å; L47-V125 PolarHBondContact N-O 2.89Å; L47-V125 PolarHBondContact O-N 3.05Å; F49-V125 HydrophobicContact CD2-CG2 4.3Å; F49-V125 HydrophobicContact CE2-CG2 3.47Å; F49-V125 VanDerWaalsContact CE2-CG2 3.47Å; F49-V125 HydrophobicContact CZ-CG2 4.25Å; I55-V125 HydrophobicContact CD1-CG2 3.89Å; V70-V125 HydrophobicContact CG1-CG1 3.46Å; V70-V125 VanDerWaalsContact CG1-CG1 3.46Å; L71-V125 CarbonylContact O-C 3.51Å; L71-V125 WeakPolarHBondContact O-CA 3.28Å; V72-V125 HydrophobicContact CG1-CG1 4.39Å; V72-V125 HydrophobicContact CG1-CG2 4.19Å; V125-F127 HydrophobicContact CB-CE2 4.43Å; V125-F127 HydrophobicContact CG1-CD2 4.35Å; V125-F127 HydrophobicContact CG1-CE2 3.74Å; V125-F127 HydrophobicContact CG1-CZ 4Å; V125-F146 HydrophobicContact CB-CE1 4.38Å; V125-F146 HydrophobicContact CG1-CE1 4.09Å; V125-F146 HydrophobicContact CG1-CZ 4.5Å; V125-F146 HydrophobicContact CG2-CE1 4.18Å |
| 126 | K | 96.5 | Very high | 93.7 | Very high | 69 Ų | 69 | 47.9 Ų | 47.9 | 30% | 0.3 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 121.7 | 178.3 | -178 | 178.8 | 180 | 178.1 | 0 | 110 | A44 V45 E46 L71 V128 | A44-K126 HydrophobicContact CB-CG 4.37Å; V45-K126 CarbonylContact O-C 3.5Å; V45-K126 WeakPolarHBondContact O-CA 3.36Å; E46-K126 HydrophobicContact CB-CB 4.31Å; E46-K126 HydrophobicContact CB-CG 4.39Å; E46-K126 HydrophobicContact CG-CB 4.17Å; L71-K126 HydrophobicContact CB-CB 4.38Å; L71-K126 PolarHBondContact N-O 2.92Å; L71-K126 PolarHBondContact O-N 3.15Å; K126-V128 HydrophobicContact CD-CG2 4.47Å; K126-V128 HydrophobicContact CG-CG2 4.27Å |
| 127 | F | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 131.5 | 171.2 | -62.8 | -95.7 | 0 | 0 | 0 | 109 | A44 V45 L47 L58 I60 I68 E69 V70 V125 I141 V144 F146 | A44-F127 CarbonylContact C-O 3.54Å; A44-F127 WeakPolarHBondContact CA-O 3.45Å; A44-F127 WeakPolarHBondContact CB-O 3.41Å; V45-F127 HydrophobicContact CG1-CB 4.01Å; V45-F127 HydrophobicContact CG1-CD2 4.33Å; V45-F127 PolarHBondContact N-O 3.26Å; V45-F127 PolarHBondContact O-N 3.14Å; L47-F127 HydrophobicContact CD1-CE2 4.06Å; L58-F127 HydrophobicContact CD1-CZ 4.32Å; L58-F127 HydrophobicContact CD2-CE1 4.25Å; I60-F127 HydrophobicContact CD1-CD1 4.3Å; I60-F127 HydrophobicContact CD1-CE1 3.88Å; I60-F127 HydrophobicContact CG1-CE1 4.27Å; I68-F127 HydrophobicContact CG2-CD1 4.24Å; E69-F127 WeakPolarHBondContact O-CA 3.4Å; V70-F127 HydrophobicContact CG1-CD1 4.36Å; V70-F127 HydrophobicContact CG1-CE1 4.1Å; V70-F127 HydrophobicContact CG1-CZ 4.38Å; V70-F127 HydrophobicContact CG2-CD1 3.73Å; V70-F127 HydrophobicContact CG2-CE1 3.76Å; V125-F127 HydrophobicContact CB-CE2 4.43Å; V125-F127 HydrophobicContact CG1-CD2 4.35Å; V125-F127 HydrophobicContact CG1-CE2 3.74Å; V125-F127 HydrophobicContact CG1-CZ 4Å; F127-I141 HydrophobicContact CB-CD1 3.53Å; F127-I141 HydrophobicContact CD1-CD1 3.91Å; F127-I141 HydrophobicContact CG-CD1 3.74Å; F127-V144 HydrophobicContact CD1-CG1 4.42Å; F127-V144 HydrophobicContact CE1-CG1 3.79Å; F127-V144 HydrophobicContact CE2-CG1 4.29Å; F127-V144 HydrophobicContact CZ-CB 4.14Å; F127-V144 HydrophobicContact CZ-CG1 3.71Å; F127-V144 HydrophobicContact CZ-CG2 4.42Å; F127-F146 HydrophobicContact CE2-CE1 4.31Å; F127-F146 AromaticContact CE2-CZ 3.76Å; F127-F146 HydrophobicContact CE2-CZ 3.76Å; F127-F146 AromaticContact CZ-CE1 3.82Å; F127-F146 HydrophobicContact CZ-CE1 3.82Å; F127-F146 AromaticContact CZ-CZ 3.55Å; F127-F146 HydrophobicContact CZ-CZ 3.55Å |
| 128 | V | 97 | Very high | 93.7 | Very high | 17 Ų | 17 | 48.1 Ų | 48.1 | 10% | 0.103 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 111.6 | 175.9 | -179 | 0 | 0 | 0 | 0 | 108.3 | Q42 A44 I68 E69 L71 K126 | Q42-V128 HydrophobicContact CB-CG1 4.33Å; Q42-V128 HydrophobicContact CG-CG1 4.43Å; A44-V128 HydrophobicContact CB-CG2 4.09Å; I68-V128 CarbonylContact C-O 3.6Å; I68-V128 WeakPolarHBondContact CA-O 3.1Å; E69-V128 HydrophobicContact CB-CB 4.34Å; E69-V128 PolarHBondContact N-O 2.83Å; E69-V128 PolarHBondContact O-N 3.18Å; L71-V128 HydrophobicContact CD1-CB 4.31Å; L71-V128 HydrophobicContact CD1-CG2 3.45Å; L71-V128 VanDerWaalsContact CD1-CG2 3.45Å; K126-V128 HydrophobicContact CD-CG2 4.47Å; K126-V128 HydrophobicContact CG-CG2 4.27Å |
| 129 | C | 96.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 143.8 | -178.1 | -60.5 | 0 | 0 | 0 | 0 | 110.6 | Q42 E43 S65 F67 Y139 I141 | Q42-C129 CarbonylContact C-O 3.48Å; Q42-C129 VanDerWaalsContact CA-O 3.28Å; Q42-C129 WeakPolarHBondContact CA-O 3.05Å; E43-C129 PolarHBondContact N-O 2.99Å; E43-C129 PolarHBondContact O-N 2.98Å; S65-C129 WeakPolarHBondContact OG-CB 3.24Å; F67-C129 CarbonylContact O-C 3.54Å; F67-C129 WeakPolarHBondContact O-CA 3.34Å; C129-Y139 HydrophobicContact CB-CD2 3.93Å; C129-Y139 HydrophobicContact CB-CE2 3.77Å; C129-Y139 WeakPolarHBondContact O-CE2 3.4Å; C129-I141 VanDerWaalsContact SG-CG1 3.56Å |
| 130 | S | 95.4 | Very high | 94.2 | Very high | 20 Ų | 20 | 43.2 Ų | 43.2 | 14% | 0.14 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 146.8 | 173.2 | 64.2 | 0 | 0 | 0 | 0 | 112.3 | K41 A66 F67 | K41-S130 WeakPolarHBondContact O-CB 3.38Å; A66-S130 WeakPolarHBondContact CA-O 3.24Å; A66-S130 WeakPolarHBondContact CB-O 3.48Å; A66-S130 PolarHBondContact N-O 2.97Å; F67-S130 PolarHBondContact N-O 3.28Å; F67-S130 VanDerWaalsContact N-O 3.09Å; F67-S130 PolarHBondContact O-N 2.95Å |
| 131 | Q | 94.6 | Very high | 94.4 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | trans | -136.2 | 83.8 | 176 | -179.3 | 48.3 | -89 | 0 | 0 | 110.7 | G64 F133 N134 L137 Y139 | G64-Q131 PolarHBondContact O-NE2 3.38Å; Q131-F133 VanDerWaalsContact OE1-N 3.1Å; Q131-N134 HydrophobicContact CG-CB 4.41Å; Q131-N134 WeakPolarHBondContact CG-O 3.41Å; Q131-L137 HydrophobicContact CG-CD2 4.49Å; Q131-Y139 HydrophobicContact CB-CD1 3.46Å; Q131-Y139 VanDerWaalsContact CB-CD1 3.46Å; Q131-Y139 HydrophobicContact CB-CD2 4.29Å; Q131-Y139 HydrophobicContact CB-CE1 3.76Å; Q131-Y139 HydrophobicContact CB-CG 3.73Å; Q131-Y139 HydrophobicContact CG-CD1 4.28Å | ||
| 132 | P | 94 | Very high | 94.5 | Very high | 75 Ų | 75 | 34.1 Ų | 34.1 | 49% | 0.487 | 18% | 0.176 | S | C | . | . | trans | -81.6 | -16.7 | -176.2 | 31.9 | -32.9 | 0 | 0 | 0 | 113.7 | F67 | F67-P132 HydrophobicContact CD2-CG 4.28Å; F67-P132 HydrophobicContact CE2-CG 3.93Å | ||
| 133 | F | 93.1 | Very high | 94.5 | Very high | 66 Ų | 66 | 34.5 Ų | 34.5 | 29% | 0.289 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -90.7 | -20.3 | -170.6 | -50.8 | -55.7 | 0 | 0 | 0 | 113.2 | A66 F67 P93 A96 Q131 | A66-F133 HydrophobicContact CB-CD2 3.76Å; A66-F133 HydrophobicContact CB-CE2 3.75Å; F67-F133 AromaticContact CE2-CE2 3.68Å; F67-F133 HydrophobicContact CE2-CE2 3.68Å; F67-F133 AromaticContact CE2-CZ 3.65Å; F67-F133 HydrophobicContact CE2-CZ 3.65Å; F67-F133 HydrophobicContact CZ-CE2 4.01Å; F67-F133 AromaticContact CZ-CZ 3.83Å; F67-F133 HydrophobicContact CZ-CZ 3.83Å; P93-F133 HydrophobicContact CB-CD1 3.89Å; P93-F133 HydrophobicContact CB-CD2 4.19Å; P93-F133 HydrophobicContact CB-CE1 4.07Å; P93-F133 HydrophobicContact CB-CE2 4.34Å; P93-F133 HydrophobicContact CB-CG 3.96Å; P93-F133 HydrophobicContact CB-CZ 4.29Å; P93-F133 HydrophobicContact CG-CD1 4.17Å; P93-F133 HydrophobicContact CG-CD2 4.29Å; P93-F133 HydrophobicContact CG-CE1 3.83Å; P93-F133 HydrophobicContact CG-CE2 3.94Å; P93-F133 HydrophobicContact CG-CG 4.4Å; P93-F133 HydrophobicContact CG-CZ 3.7Å; A96-F133 HydrophobicContact CB-CB 3.63Å; A96-F133 HydrophobicContact CB-CD2 4.01Å; A96-F133 HydrophobicContact CB-CG 4.3Å; Q131-F133 VanDerWaalsContact OE1-N 3.1Å |
| 134 | N | 90.7 | Very high | 94.5 | Very high | 25 Ų | 25 | 33.8 Ų | 33.8 | 13% | 0.134 | 18% | 0.175 | C | C | . | . | trans | -138.3 | 109.5 | 178.2 | -171.8 | -24 | 0 | 0 | 0 | 110.6 | A96 Q131 T136 L137 | A96-N134 VanDerWaalsContact O-CB 3.27Å; A96-N134 WeakPolarHBondContact O-CB 3.18Å; A96-N134 PolarHBondContact O-ND2 3.43Å; Q131-N134 HydrophobicContact CG-CB 4.41Å; Q131-N134 WeakPolarHBondContact CG-O 3.41Å; N134-T136 VanDerWaalsContact C-N 3.33Å; N134-T136 PolarHBondContact OD1-N 2.87Å; N134-T136 PolarHBondContact OD1-OG1 3.03Å; N134-L137 HydrophobicContact CB-CB 4.07Å; N134-L137 PolarHBondContact OD1-N 3.35Å | ||
| 135 | K | 90.7 | Very high | 94.5 | Very high | 164 Ų | 164 | 35.3 Ų | 35.3 | 71% | 0.713 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -83.2 | -6.8 | -176.7 | -62.3 | -177.1 | -178.4 | 178.6 | 0 | 114 | G38 G39 | G38-K135 CarbonylContact C-O 3.59Å; G39-K135 WeakPolarHBondContact CA-O 3.3Å; G39-K135 PolarHBondContact N-O 3.23Å |
| 136 | T | 90.3 | Very high | 94.4 | Very high | 124 Ų | 124 | 35.3 Ų | 35.3 | 76% | 0.761 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -103.1 | -19.4 | -179.2 | 56.5 | 0 | 0 | 0 | 0 | 112.3 | N134 | N134-T136 VanDerWaalsContact C-N 3.33Å; N134-T136 PolarHBondContact OD1-N 2.87Å; N134-T136 PolarHBondContact OD1-OG1 3.03Å |
| 137 | L | 90.9 | Very high | 94.2 | Very high | 32 Ų | 32 | 33.1 Ų | 33.1 | 17% | 0.168 | 17% | 0.172 | C | C | . | . | trans | -74.2 | 124.9 | -178.8 | -175.7 | 66.1 | 0 | 0 | 0 | 111.1 | G38 L102 Q131 N134 | G38-L137 WeakPolarHBondContact CA-O 3.49Å; L102-L137 HydrophobicContact CD2-CD1 4.36Å; L102-L137 HydrophobicContact CD2-CD2 3.86Å; Q131-L137 HydrophobicContact CG-CD2 4.49Å; N134-L137 HydrophobicContact CB-CB 4.07Å; N134-L137 PolarHBondContact OD1-N 3.35Å | ||
| 138 | Q | 93.4 | Very high | 93.9 | Very high | 77 Ų | 77 | 34.3 Ų | 34.3 | 36% | 0.36 | 18% | 0.179 | S | C | . | . | trans | -69.1 | 136.9 | 163.5 | -73.4 | 175.7 | -38.3 | 0 | 0 | 108.9 | D16 I36 | D16-Q138 PolarHBondContact OD2-NE2 2.68Å; I36-Q138 PolarHBondContact O-NE2 3.15Å | ||
| 139 | Y | 95.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -137.2 | 163 | -176.5 | 67.3 | -90.7 | 0 | 0 | 0 | 111.8 | C35 S40 E43 N63 G64 S65 C129 Q131 | C35-Y139 PolarHBondContact N-O 2.9Å; C35-Y139 PolarHBondContact SG-N 3.36Å; C35-Y139 VanDerWaalsContact SG-N 3.38Å; C35-Y139 PolarHBondContact SG-O 2.76Å; S40-Y139 PolarHBondContact O-OH 3.19Å; S40-Y139 VanDerWaalsContact O-OH 3.09Å; S40-Y139 PolarHBondContact OG-OH 3.05Å; E43-Y139 HydrophobicContact CB-CE2 3.9Å; E43-Y139 HydrophobicContact CG-CE1 4.44Å; E43-Y139 HydrophobicContact CG-CE2 3.84Å; E43-Y139 WeakPolarHBondContact CG-OH 3.25Å; N63-Y139 CarbonylContact O-C 3.17Å; N63-Y139 WeakPolarHBondContact O-CA 3.41Å; G64-Y139 VanDerWaalsContact C-CB 3.48Å; G64-Y139 VanDerWaalsContact O-CB 3.31Å; G64-Y139 WeakPolarHBondContact O-CB 3.48Å; S65-Y139 WeakPolarHBondContact OG-CD2 3.25Å; C129-Y139 HydrophobicContact CB-CD2 3.93Å; C129-Y139 HydrophobicContact CB-CE2 3.77Å; C129-Y139 WeakPolarHBondContact O-CE2 3.4Å; Q131-Y139 HydrophobicContact CB-CD1 3.46Å; Q131-Y139 VanDerWaalsContact CB-CD1 3.46Å; Q131-Y139 HydrophobicContact CB-CD2 4.29Å; Q131-Y139 HydrophobicContact CB-CE1 3.76Å; Q131-Y139 HydrophobicContact CB-CG 3.73Å; Q131-Y139 HydrophobicContact CG-CD1 4.28Å | ||
| 140 | G | 95.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.9 | -140 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | W33 N63 S65 | W33-G140 WeakPolarHBondContact O-CA 3.36Å; N63-G140 PolarHBondContact N-O 3.28Å; N63-G140 PolarHBondContact O-N 3Å; S65-G140 PolarHBondContact OG-N 3.37Å; S65-G140 PolarHBondContact OG-O 2.84Å |
| 141 | I | 96.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 133.9 | -173 | -56.6 | 176.4 | 0 | 0 | 0 | 108.8 | L24 W33 V45 I60 G61 I68 F127 C129 F143 V144 | L24-I141 HydrophobicContact CD2-CB 4.1Å; L24-I141 HydrophobicContact CD2-CG2 3.96Å; W33-I141 HydrophobicContact CE3-CB 4.06Å; W33-I141 HydrophobicContact CE3-CD1 4.16Å; W33-I141 HydrophobicContact CE3-CG1 3.94Å; W33-I141 HydrophobicContact CZ3-CD1 3.97Å; W33-I141 HydrophobicContact CZ3-CG1 3.97Å; W33-I141 PolarHBondContact N-O 3.13Å; W33-I141 PolarHBondContact O-N 3.22Å; V45-I141 HydrophobicContact CG1-CD1 4.3Å; I60-I141 HydrophobicContact CG2-CG2 4.21Å; G61-I141 WeakPolarHBondContact O-CG2 3.19Å; I68-I141 HydrophobicContact CD1-CG1 4.37Å; F127-I141 HydrophobicContact CB-CD1 3.53Å; F127-I141 HydrophobicContact CD1-CD1 3.91Å; F127-I141 HydrophobicContact CG-CD1 3.74Å; C129-I141 VanDerWaalsContact SG-CG1 3.56Å; I141-F143 WeakPolarHBondContact CG2-O 3.46Å; I141-V144 HydrophobicContact CG2-CG1 3.72Å |
| 142 | S | 94.9 | Very high | 87.8 | Confident | 6 Ų | 6 | 50.7 Ų | 50.7 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | -44.9 | 177.7 | -175 | 0 | 0 | 0 | 0 | 112.6 | S29 S31 K32 G61 N62 | S29-S142 PolarHBondContact O-OG 2.93Å; S29-S142 VanDerWaalsContact O-OG 3.07Å; S31-S142 VanDerWaalsContact O-O 3.05Å; K32-S142 WeakPolarHBondContact CE-OG 3.24Å; G61-S142 WeakPolarHBondContact O-CB 3.43Å; G61-S142 PolarHBondContact O-N 3.05Å; N62-S142 VanDerWaalsContact O-CB 3.28Å; N62-S142 WeakPolarHBondContact O-CB 3.4Å |
| 143 | F | 95.1 | Very high | 85.3 | Confident | 19 Ų | 19 | 52.1 Ų | 52.1 | 8% | 0.083 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | 160.4 | 176.4 | 63.9 | -93.5 | 0 | 0 | 0 | 110 | S29 G61 V105 I141 F145 | S29-F143 WeakPolarHBondContact OG-CD1 3.31Å; S29-F143 WeakPolarHBondContact OG-CE1 3.34Å; G61-F143 PolarHBondContact N-O 3.11Å; V105-F143 HydrophobicContact CB-CZ 4.37Å; V105-F143 HydrophobicContact CG1-CE2 4.28Å; V105-F143 HydrophobicContact CG1-CZ 3.8Å; V105-F143 HydrophobicContact CG2-CE1 3.85Å; V105-F143 HydrophobicContact CG2-CZ 3.59Å; I141-F143 WeakPolarHBondContact CG2-O 3.46Å; F143-F145 AromaticContact CD2-CD2 3.56Å; F143-F145 HydrophobicContact CD2-CD2 3.56Å; F143-F145 AromaticContact CD2-CE2 3.33Å; F143-F145 HydrophobicContact CD2-CE2 3.33Å; F143-F145 HydrophobicContact CD2-CG 4.34Å; F143-F145 AromaticContact CD2-CZ 3.98Å; F143-F145 HydrophobicContact CD2-CZ 3.98Å; F143-F145 AromaticContact CE2-CD2 3.57Å; F143-F145 HydrophobicContact CE2-CD2 3.57Å; F143-F145 AromaticContact CE2-CE2 3.41Å; F143-F145 HydrophobicContact CE2-CE2 3.41Å; F143-F145 VanDerWaalsContact CE2-CE2 3.41Å; F143-F145 HydrophobicContact CE2-CZ 4.43Å; F143-F145 HydrophobicContact CG-CE2 4.25Å; F143-F145 HydrophobicContact CZ-CE2 4.36Å |
| 144 | V | 95.3 | Very high | 82.8 | Confident | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.024 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 133.7 | 172.4 | -68.2 | 0 | 0 | 0 | 0 | 110.1 | L47 D59 I60 F127 I141 F146 | L47-V144 HydrophobicContact CD1-CG2 3.98Å; D59-V144 CarbonylContact O-C 3.57Å; D59-V144 VanDerWaalsContact O-CA 3.28Å; D59-V144 WeakPolarHBondContact O-CA 3.38Å; I60-V144 HydrophobicContact CG1-CG1 4.47Å; I60-V144 HydrophobicContact CG2-CG1 4.44Å; F127-V144 HydrophobicContact CD1-CG1 4.42Å; F127-V144 HydrophobicContact CE1-CG1 3.79Å; F127-V144 HydrophobicContact CE2-CG1 4.29Å; F127-V144 HydrophobicContact CZ-CB 4.14Å; F127-V144 HydrophobicContact CZ-CG1 3.71Å; F127-V144 HydrophobicContact CZ-CG2 4.42Å; I141-V144 HydrophobicContact CG2-CG1 3.72Å; V144-F146 HydrophobicContact CB-CE2 4.14Å; V144-F146 HydrophobicContact CB-CZ 4.32Å; V144-F146 HydrophobicContact CG2-CE2 3.71Å; V144-F146 HydrophobicContact CG2-CZ 4.08Å |
| 145 | F | 94.4 | Very high | 80.3 | Confident | 40 Ų | 40 | 60.6 Ų | 60.6 | 18% | 0.175 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 130.2 | 172.5 | -58.6 | -58.4 | 0 | 0 | 0 | 110.6 | E3 G27 L58 D59 F143 | E3-F145 WeakPolarHBondContact OE1-CD1 3.4Å; G27-F145 WeakPolarHBondContact O-CE1 3.44Å; G27-F145 WeakPolarHBondContact O-CZ 3.33Å; L58-F145 WeakPolarHBondContact CA-O 3.37Å; D59-F145 HydrophobicContact CB-CB 4.09Å; D59-F145 HydrophobicContact CB-CD2 4.2Å; D59-F145 PolarHBondContact N-O 3.18Å; D59-F145 PolarHBondContact O-N 3.38Å; F143-F145 AromaticContact CD2-CD2 3.56Å; F143-F145 HydrophobicContact CD2-CD2 3.56Å; F143-F145 AromaticContact CD2-CE2 3.33Å; F143-F145 HydrophobicContact CD2-CE2 3.33Å; F143-F145 HydrophobicContact CD2-CG 4.34Å; F143-F145 AromaticContact CD2-CZ 3.98Å; F143-F145 HydrophobicContact CD2-CZ 3.98Å; F143-F145 AromaticContact CE2-CD2 3.57Å; F143-F145 HydrophobicContact CE2-CD2 3.57Å; F143-F145 AromaticContact CE2-CE2 3.41Å; F143-F145 HydrophobicContact CE2-CE2 3.41Å; F143-F145 VanDerWaalsContact CE2-CE2 3.41Å; F143-F145 HydrophobicContact CE2-CZ 4.43Å; F143-F145 HydrophobicContact CG-CE2 4.25Å; F143-F145 HydrophobicContact CZ-CE2 4.36Å |
| 146 | F | 94.6 | Very high | 78 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 0% | 0.004 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 137.3 | 179.7 | -54.3 | -95 | 0 | 0 | 0 | 109.7 | E3 V4 P6 L47 F49 I55 L58 V125 F127 V144 | E3-F146 CarbonylContact C-O 3.52Å; E3-F146 WeakPolarHBondContact CA-O 3.44Å; V4-F146 PolarHBondContact N-O 3.45Å; P6-F146 HydrophobicContact CG-CE2 4.14Å; L47-F146 HydrophobicContact CD1-CZ 4.46Å; F49-F146 HydrophobicContact CE1-CB 4.49Å; F49-F146 HydrophobicContact CE1-CD2 4.05Å; F49-F146 HydrophobicContact CE1-CE2 4.44Å; F49-F146 HydrophobicContact CE1-CG 4.18Å; F49-F146 HydrophobicContact CZ-CB 4.19Å; F49-F146 AromaticContact CZ-CD1 3.74Å; F49-F146 HydrophobicContact CZ-CD1 3.74Å; F49-F146 AromaticContact CZ-CD2 3.81Å; F49-F146 HydrophobicContact CZ-CD2 3.81Å; F49-F146 AromaticContact CZ-CE1 3.99Å; F49-F146 HydrophobicContact CZ-CE1 3.99Å; F49-F146 HydrophobicContact CZ-CE2 4.05Å; F49-F146 AromaticContact CZ-CG 3.65Å; F49-F146 HydrophobicContact CZ-CG 3.65Å; F49-F146 HydrophobicContact CZ-CZ 4.12Å; I55-F146 HydrophobicContact CD1-CD1 4.06Å; I55-F146 HydrophobicContact CD1-CE1 4.43Å; I55-F146 HydrophobicContact CG1-CD1 4.48Å; L58-F146 HydrophobicContact CD1-CD1 3.39Å; L58-F146 HydrophobicContact CD1-CE1 3.43Å; L58-F146 VanDerWaalsContact CD1-CE1 3.43Å; L58-F146 HydrophobicContact CD1-CG 4.11Å; L58-F146 HydrophobicContact CD1-CZ 4.19Å; V125-F146 HydrophobicContact CB-CE1 4.38Å; V125-F146 HydrophobicContact CG1-CE1 4.09Å; V125-F146 HydrophobicContact CG1-CZ 4.5Å; V125-F146 HydrophobicContact CG2-CE1 4.18Å; F127-F146 HydrophobicContact CE2-CE1 4.31Å; F127-F146 AromaticContact CE2-CZ 3.76Å; F127-F146 HydrophobicContact CE2-CZ 3.76Å; F127-F146 AromaticContact CZ-CE1 3.82Å; F127-F146 HydrophobicContact CZ-CE1 3.82Å; F127-F146 AromaticContact CZ-CZ 3.55Å; F127-F146 HydrophobicContact CZ-CZ 3.55Å; V144-F146 HydrophobicContact CB-CE2 4.14Å; V144-F146 HydrophobicContact CB-CZ 4.32Å; V144-F146 HydrophobicContact CG2-CE2 3.71Å; V144-F146 HydrophobicContact CG2-CZ 4.08Å |
| 147 | H | 93.6 | Very high | 75.6 | Confident | 23 Ų | 23 | 58.6 Ų | 58.6 | 11% | 0.106 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 134.9 | 179.9 | -64.7 | -86.3 | 0 | 0 | 0 | 110.5 | M1 P2 S56 R57 D59 | M1-H147 HydrophobicContact CB-CB 4.27Å; M1-H147 HydrophobicContact CE-CB 4.21Å; P2-H147 WeakPolarHBondContact O-CA 3.47Å; S56-H147 PolarHBondContact N-O 3.48Å; S56-H147 PolarHBondContact OG-O 2.96Å; R57-H147 HydrophobicContact CB-CB 3.94Å; R57-H147 PolarHBondContact N-O 3.22Å; R57-H147 PolarHBondContact NH1-CD2 2.7Å; R57-H147 PolarHBondContact NH1-NE2 2.86Å; R57-H147 VanDerWaalsContact NH1-NE2 3.19Å; R57-H147 PolarHBondContact O-N 3.49Å; D59-H147 IonicContact OD2-NE2 3.39Å |
| 148 | T | 89.4 | Confident | 73 | Confident | 24 Ų | 24 | 64.9 Ų | 64.9 | 15% | 0.147 | 37% | 0.373 | C | S | . | . | trans | -90.9 | 154 | 174 | 43.4 | 0 | 0 | 0 | 0 | 111.5 | M1 P2 V4 V53 E54 S56 A150 | M1-T148 WeakPolarHBondContact CB-O 3.39Å; P2-T148 WeakPolarHBondContact CB-OG1 3.27Å; P2-T148 WeakPolarHBondContact CD-O 3.43Å; P2-T148 WeakPolarHBondContact CD-OG1 3.36Å; P2-T148 WeakPolarHBondContact CG-OG1 3.24Å; P2-T148 PolarHBondContact O-N 3.38Å; P2-T148 PolarHBondContact O-OG1 3.3Å; P2-T148 VanDerWaalsContact O-OG1 3.05Å; V4-T148 HydrophobicContact CG2-CG2 3.41Å; V4-T148 VanDerWaalsContact CG2-CG2 3.41Å; V53-T148 HydrophobicContact CG1-CG2 3.32Å; E54-T148 WeakPolarHBondContact O-CG2 3.39Å; S56-T148 PolarHBondContact OG-O 3.3Å; T148-A150 PolarHBondContact O-N 3.42Å | ||
| 149 | P | 86.7 | Confident | 70.8 | Confident | 48 Ų | 48 | 70.3 Ų | 70.3 | 31% | 0.312 | 40% | 0.396 | S | S | . | . | trans | -59 | 139.9 | 167.8 | 26.6 | -31.7 | 0 | 0 | 0 | 107.8 | E54 S56 N151 | E54-P149 HydrophobicContact CB-CG 4.45Å; E54-P149 HydrophobicContact CG-CG 4.35Å; E54-P149 VanDerWaalsContact O-CD 3.28Å; E54-P149 WeakPolarHBondContact O-CD 3.44Å; S56-P149 VanDerWaalsContact OG-N 3.08Å; P149-N151 VanDerWaalsContact C-N 3.34Å; P149-N151 PolarHBondContact O-N 2.93Å | ||
| 150 | A | 73.3 | Confident | 67.8 | Low | 69 Ų | 69 | 77.8 Ų | 77.8 | 57% | 0.57 | 44% | 0.436 | S | S | * | . | trans | -63.1 | 100.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | T148 V152 | T148-A150 PolarHBondContact O-N 3.42Å; A150-V152 PolarHBondContact O-N 2.98Å; A150-V152 VanDerWaalsContact O-N 3.07Å | ||
| 151 | N | 56 | Low | 65.3 | Low | 135 Ų | 135 | 85.4 Ų | 85.4 | 72% | 0.722 | 48% | 0.475 | S | S | * | . | trans | -63.7 | 114.7 | 171.7 | -150.1 | -1.9 | 0 | 0 | 0 | 105.6 | P149 N153 | P149-N151 VanDerWaalsContact C-N 3.34Å; P149-N151 PolarHBondContact O-N 2.93Å; N151-N153 PolarHBondContact O-N 3.47Å | ||
| 152 | V | 40.4 | Very low | 62.3 | Low | 132 Ų | 132 | 94.9 Ų | 94.9 | 80% | 0.8 | 52% | 0.516 | S | S | * | . | trans | -66.6 | 83.7 | 166.3 | -176.7 | 0 | 0 | 0 | 0 | 104.1 | A150 P154 | A150-V152 PolarHBondContact O-N 2.98Å; A150-V152 VanDerWaalsContact O-N 3.07Å; V152-P154 WeakPolarHBondContact O-CD 3.34Å | ||
| 153 | N | 40.6 | Very low | 59.9 | Low | 105 Ų | 105 | 101.5 Ų | 101.5 | 56% | 0.561 | 56% | 0.556 | S | S | * | * | trans | -79.6 | 108.9 | 179.3 | -154.1 | 26.4 | 0 | 0 | 0 | 106.4 | N151 E155 | N151-N153 PolarHBondContact O-N 3.47Å; N153-E155 PolarHBondContact O-N 2.7Å | ||
| 154 | P | 41.3 | Very low | 57 | Low | 112 Ų | 112 | 107.8 Ų | 107.8 | 73% | 0.727 | 59% | 0.59 | S | S | * | * | trans | -87 | 48.8 | 170.3 | 37.5 | -24.9 | 0 | 0 | 0 | 108.1 | V152 | V152-P154 WeakPolarHBondContact O-CD 3.34Š| ||
| 155 | E | 38.5 | Very low | 54.3 | Low | 157 Ų | 157 | 114 Ų | 114 | 73% | 0.734 | 62% | 0.624 | S | S | * | * | trans | -137.9 | 68.9 | -177.2 | -68.2 | -160.7 | 172.3 | 0 | 0 | 110.6 | N153 | N153-E155 PolarHBondContact O-N 2.7Š| ||
| 156 | A | 43.4 | Very low | 51.5 | Low | 94 Ų | 94 | 118.1 Ų | 118.1 | 78% | 0.777 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -148.3 | 54.2 | 152.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||
| 157 | D | 38.2 | Very low | 49.1 | Very low | 152 Ų | 152 | 124.5 Ų | 124.5 | 81% | 0.813 | 68% | 0.68 | S | S | * | * | trans | -165.5 | 93.1 | 157.9 | -97.7 | -29.4 | 0 | 0 | 0 | 109.8 | K159 | D157-K159 PolarHBondContact O-N 2.91Š| ||
| 158 | D | 37 | Very low | 46.5 | Very low | 165 Ų | 165 | 130.1 Ų | 130.1 | 88% | 0.882 | 71% | 0.711 | S | S | * | * | trans | -57 | 101 | 158.8 | -96.8 | -34.3 | 0 | 0 | 0 | 108.8 | ||||
| 159 | K | 46.7 | Very low | 44 | Very low | 190 Ų | 190 | 136.2 Ų | 136.2 | 83% | 0.826 | 74% | 0.742 | S | S | * | * | trans | -171.1 | 103.8 | 153.8 | -98.6 | 151.1 | -151 | 178.3 | 0 | 110.2 | D157 | D157-K159 PolarHBondContact O-N 2.91Š| ||
| 160 | N | 32.4 | Very low | 42 | Very low | 157 Ų | 157 | 142.7 Ų | 142.7 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | trans | 28 | 116.8 | 145.6 | -88.5 | -30.1 | 0 | 0 | 0 | 117.2 | ||||
| 161 | I | 42.9 | Very low | 40.3 | Very low | 161 Ų | 161 | 147.8 Ų | 147.8 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | -168.9 | 121 | 119.5 | -87.6 | 141.9 | 0 | 0 | 0 | 108.8 | |||||
| 162 | K | 34.4 | Very low | 39.5 | Very low | 199 Ų | 199 | 147 Ų | 147 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | trans | -62.4 | 134.2 | 167 | -79.8 | 168.8 | 166.1 | 175.1 | 0 | 110.8 | ||||
| 163 | V | 43 | Very low | 39.4 | Very low | 145 Ų | 145 | 148.1 Ų | 148.1 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | trans | -152.8 | 92.7 | 140.5 | -90.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 164 | D | 35.7 | Very low | 39.4 | Very low | 151 Ų | 151 | 147.5 Ų | 147.5 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | trans | -87.5 | 160.8 | 162.2 | -121.8 | -22.8 | 0 | 0 | 0 | 108.9 | ||||
| 165 | N | 36.9 | Very low | 39.6 | Very low | 135 Ų | 135 | 148.3 Ų | 148.3 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | 86.5 | 133.4 | 165.9 | -65.9 | -4.7 | 0 | 0 | 0 | 115.8 | ||||
| 166 | L | 37.4 | Very low | 40.1 | Very low | 125 Ų | 125 | 148.8 Ų | 148.8 | 65% | 0.654 | 80% | 0.796 | S | S | * | * | cis | -177 | 153.5 | 21.6 | -148.9 | 76.3 | 0 | 0 | 0 | 109.8 | ||||
| 167 | L | 42.9 | Very low | 40.3 | Very low | 135 Ų | 135 | 154.6 Ų | 154.6 | 71% | 0.707 | 81% | 0.805 | S | S | * | * | trans | 78.4 | 145.3 | 152 | -53.5 | 174.4 | 0 | 0 | 0 | 118.2 | ||||
| 168 | N | 38.6 | Very low | 41.2 | Very low | 142 Ų | 142 | 155.6 Ų | 155.6 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | cis | -178.2 | 147 | -28.2 | -115.1 | 10.6 | 0 | 0 | 0 | 102.5 | ||||
| 169 | D | 38.2 | Very low | 41.6 | Very low | 151 Ų | 151 | 154.4 Ų | 154.4 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | trans | -50 | 145.6 | 171.1 | -60 | -63.9 | 0 | 0 | 0 | 112.7 | ||||
| 170 | E | 43.9 | Very low | 41.9 | Very low | 185 Ų | 185 | 148.8 Ų | 148.8 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | -175.7 | 147.4 | 121.3 | -78.4 | -120.5 | 122 | 0 | 0 | 111.3 | |||||
| 171 | E | 38.8 | Very low | 43.1 | Very low | 176 Ų | 176 | 146.4 Ų | 146.4 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | -49.2 | 144.9 | -179.6 | -68.5 | 167.3 | 117.3 | 0 | 0 | 114.7 | ||||
| 172 | S | 39.1 | Very low | 43.7 | Very low | 117 Ų | 117 | 146.5 Ų | 146.5 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | 170.6 | 123.4 | 110.7 | 37 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 173 | D | 37.8 | Very low | 44.8 | Very low | 156 Ų | 156 | 146.1 Ų | 146.1 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | 43.1 | 126.4 | 140.2 | -120.1 | -15 | 0 | 0 | 0 | 123.9 | ||||
| 174 | S | 40.2 | Very low | 45.4 | Very low | 93 Ų | 93 | 147.9 Ų | 147.9 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | trans | 62.8 | 107.4 | 149.9 | 72.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 175 | T | 45.2 | Very low | 45.9 | Very low | 128 Ų | 128 | 145.8 Ų | 145.8 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | 166.8 | 117.2 | 113.8 | 40.3 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 176 | Q | 49.2 | Very low | 46.2 | Very low | 167 Ų | 167 | 144.3 Ų | 144.3 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | trans | 57.8 | 87 | 136.4 | -152.8 | 157.9 | 21.3 | 0 | 0 | 119.4 | K178 | Q176-K178 PolarHBondContact O-N 2.91Š| ||
| 177 | F | 47.7 | Very low | 46.3 | Very low | 217 Ų | 217 | 149.5 Ų | 149.5 | 95% | 0.952 | 81% | 0.808 | S | S | * | * | trans | -71.7 | 118.1 | 163.1 | -77 | -87.2 | 0 | 0 | 0 | 111.6 | ||||
| 178 | K | 56.4 | Low | 46.4 | Very low | 173 Ų | 173 | 152.1 Ų | 152.1 | 75% | 0.752 | 82% | 0.816 | S | S | * | * | trans | -105.3 | 122.4 | 162 | -81.6 | -176.7 | 177.8 | 175.7 | 0 | 109.6 | Q176 G180 | Q176-K178 PolarHBondContact O-N 2.91Å; K178-G180 PolarHBondContact O-N 2.88Å | ||
| 179 | P | 45.7 | Very low | 46.4 | Very low | 139 Ų | 139 | 152.2 Ų | 152.2 | 90% | 0.903 | 82% | 0.822 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | 127.5 | 173.8 | -12.6 | 26.7 | 0 | 0 | 0 | 110.6 | ||
| 180 | G | 53.3 | Low | 46.4 | Very low | 73 Ų | 73 | 150.4 Ų | 150.4 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 140.5 | -3.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | K178 L182 | K178-G180 PolarHBondContact O-N 2.88Å; G180-L182 VanDerWaalsContact C-N 3.3Å; G180-L182 PolarHBondContact O-N 2.97Å |
| 181 | S | 57.2 | Low | 46.1 | Very low | 106 Ų | 106 | 146.7 Ų | 146.7 | 74% | 0.741 | 82% | 0.815 | S | S | * | * | G | 310 helix | trans | -78.7 | 4.6 | -172.1 | -166.8 | 0 | 0 | 0 | 0 | 116.4 | ||
| 182 | L | 56.8 | Low | 46.2 | Very low | 163 Ų | 163 | 145 Ų | 145 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | G | 310 helix | trans | -87.4 | -3.7 | -170.5 | -146.4 | 91.2 | 0 | 0 | 0 | 114.9 | G180 | G180-L182 VanDerWaalsContact C-N 3.3Å; G180-L182 PolarHBondContact O-N 2.97Å |
| 183 | F | 56.9 | Low | 46.2 | Very low | 191 Ų | 191 | 147.4 Ų | 147.4 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | G | 310 helix | trans | -113.1 | 8.8 | -169.8 | -87.4 | -86.7 | 0 | 0 | 0 | 116.1 | ||
| 184 | Q | 55.8 | Low | 46.2 | Very low | 183 Ų | 183 | 146.8 Ų | 146.8 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -99.3 | -0.2 | -175.8 | -94.2 | 177 | -20.1 | 0 | 0 | 116.1 | ||
| 185 | A | 45.1 | Very low | 46 | Very low | 106 Ų | 106 | 148.9 Ų | 148.9 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -94.5 | 13.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 186 | S | 43.6 | Very low | 45.6 | Very low | 104 Ų | 104 | 146.8 Ų | 146.8 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -132.2 | 79.3 | 178.2 | -171.9 | 0 | 0 | 0 | 0 | 110.4 | ||
| 187 | R | 39.1 | Very low | 45.2 | Very low | 234 Ų | 234 | 147.2 Ų | 147.2 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | 172.4 | 80.9 | 162.7 | -96.5 | 154.5 | -174.9 | -123.9 | 2 | 110.3 | ||||
| 188 | Q | 45.3 | Very low | 44.6 | Very low | 190 Ų | 190 | 141.2 Ų | 141.2 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | trans | 167.9 | 104.6 | 162.9 | -95.4 | 155 | 79.7 | 0 | 0 | 102.5 | ||||
| 189 | T | 38.9 | Very low | 43.7 | Very low | 144 Ų | 144 | 142.4 Ų | 142.4 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | -166.1 | 136.2 | 67.1 | 46.9 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 190 | S | 39.4 | Very low | 43.5 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -112.1 | 158.1 | 164.1 | 49.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 191 | C | 37.4 | Very low | 42.8 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 72% | 0.723 | 79% | 0.789 | S | S | * | * | trans | 85.1 | 106.5 | 162 | 76.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 192 | D | 39.9 | Very low | 42.1 | Very low | 140 Ų | 140 | 146.5 Ų | 146.5 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | 89.6 | 105.9 | 122.3 | -64.4 | -33.9 | 0 | 0 | 0 | 123.5 | |||||
| 193 | K | 39.9 | Very low | 41.2 | Very low | 168 Ų | 168 | 142.6 Ų | 142.6 | 73% | 0.73 | 78% | 0.782 | S | S | * | * | 73.4 | 127.9 | 120.9 | -75.3 | -171.8 | 177.4 | 178 | 0 | 123.9 | |||||
| 194 | D | 37.3 | Very low | 40.4 | Very low | 143 Ų | 143 | 140.1 Ų | 140.1 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | trans | 67.8 | 142.1 | 138.4 | -59.7 | -22.1 | 0 | 0 | 0 | 119.1 | ||||
| 195 | N | 35.2 | Very low | 39.8 | Very low | 138 Ų | 138 | 140.6 Ų | 140.6 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | cis | -170.8 | 151.2 | -12.6 | -178 | 16.7 | 0 | 0 | 0 | 106.6 | ||||
| 196 | S | 38.4 | Very low | 39.5 | Very low | 83 Ų | 83 | 143 Ų | 143 | 58% | 0.58 | 77% | 0.774 | S | S | * | * | trans | 66.4 | 121.9 | 146.3 | 55.1 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 197 | Q | 39.1 | Very low | 39.1 | Very low | 176 Ų | 176 | 144.9 Ų | 144.9 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | 103.2 | 90.9 | 123.9 | -81.9 | -179.5 | 3.3 | 0 | 0 | 121.5 | |||||
| 198 | S | 36.9 | Very low | 39.1 | Very low | 91 Ų | 91 | 138.3 Ų | 138.3 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | 76.3 | 125.3 | 107 | 66.8 | 0 | 0 | 0 | 0 | 123 | |||||
| 199 | K | 37 | Very low | 38.8 | Very low | 198 Ų | 198 | 135.8 Ų | 135.8 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | trans | 81.5 | 117.8 | 139.5 | -70 | 169.3 | -177 | -178.2 | 0 | 119.5 | ||||
| 200 | S | 41.5 | Very low | 38.6 | Very low | 127 Ų | 127 | 137 Ų | 137 | 89% | 0.888 | 76% | 0.756 | S | S | * | * | 178.5 | 152.1 | 97.4 | 47.5 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 201 | S | 37.3 | Very low | 38.7 | Very low | 107 Ų | 107 | 140.3 Ų | 140.3 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | -100.6 | 145.6 | -170.6 | 159.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 202 | I | 43.1 | Very low | 38.9 | Very low | 170 Ų | 170 | 140.9 Ų | 140.9 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | trans | -141.2 | 118.5 | 155.2 | -61.5 | -178.5 | 0 | 0 | 0 | 109.3 | ||||
| 203 | S | 38 | Very low | 38.6 | Very low | 82 Ų | 82 | 138.3 Ų | 138.3 | 57% | 0.573 | 76% | 0.762 | S | S | * | * | trans | -77.8 | 161 | 170.3 | 48.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 204 | D | 40.4 | Very low | 38.3 | Very low | 139 Ų | 139 | 137.4 Ų | 137.4 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | 165.8 | 146.5 | 122.9 | -79.5 | -13.8 | 0 | 0 | 0 | 113.1 | |||||
| 205 | K | 42.8 | Very low | 38.4 | Very low | 193 Ų | 193 | 138.7 Ų | 138.7 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | trans | 90.9 | 135.4 | 162.3 | -53.4 | -177 | -176.6 | -175.2 | 0 | 117.6 | ||||
| 206 | L | 39.6 | Very low | 38.4 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | cis | -174.9 | 147.8 | -23.9 | -130 | 160.2 | 0 | 0 | 0 | 105.8 | ||||
| 207 | N | 35.1 | Very low | 38.5 | Very low | 143 Ų | 143 | 142.2 Ų | 142.2 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | trans | -59.7 | 156.2 | -179 | -62.2 | -51.2 | 0 | 0 | 0 | 116.5 | ||||
| 208 | A | 38.5 | Very low | 38.3 | Very low | 96 Ų | 96 | 140.8 Ų | 140.8 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | 159.5 | 98.1 | 125.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 209 | L | 38.8 | Very low | 38.3 | Very low | 136 Ų | 136 | 139.7 Ų | 139.7 | 71% | 0.712 | 77% | 0.772 | S | S | * | * | 50.6 | 112.9 | 77.7 | -101.2 | 79.7 | 0 | 0 | 0 | 117.3 | |||||
| 210 | K | 35.7 | Very low | 38.3 | Very low | 169 Ų | 169 | 137.2 Ų | 137.2 | 74% | 0.735 | 77% | 0.768 | S | S | * | * | trans | 86.2 | 147.2 | 134.5 | -68.5 | 175 | -179.3 | 173.1 | 0 | 120.5 | ||||
| 211 | H | 41.3 | Very low | 38.3 | Very low | 184 Ų | 184 | 136.7 Ų | 136.7 | 85% | 0.852 | 76% | 0.76 | S | S | * | * | trans | 111.1 | 121.8 | 170.8 | -56.4 | -55.6 | 0 | 0 | 0 | 110.4 | ||||
| 212 | S | 40 | Very low | 38.5 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | cis | -172.1 | 148.4 | 15.5 | 38.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 213 | A | 35 | Very low | 38.4 | Very low | 86 Ų | 86 | 134 Ų | 134 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | trans | -88.1 | 168.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 214 | N | 34.3 | Very low | 38.6 | Very low | 149 Ų | 149 | 135 Ų | 135 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | trans | 87 | 119.1 | 167.8 | -61.8 | -29.5 | 0 | 0 | 0 | 117.1 | ||||
| 215 | L | 37.8 | Very low | 38.6 | Very low | 170 Ų | 170 | 135 Ų | 135 | 89% | 0.89 | 76% | 0.762 | S | S | * | * | -170.6 | 154.3 | 89.4 | -152.6 | 62.1 | 0 | 0 | 0 | 112.3 | |||||
| 216 | I | 35.5 | Very low | 38.3 | Very low | 134 Ų | 134 | 132.6 Ų | 132.6 | 69% | 0.687 | 76% | 0.758 | S | S | * | * | trans | -93.5 | 161.1 | -171.6 | -76.6 | 164.1 | 0 | 0 | 0 | 111.4 | ||||
| 217 | Q | 40.2 | Very low | 38.1 | Very low | 161 Ų | 161 | 131.1 Ų | 131.1 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | trans | 106.3 | 130.3 | 145.5 | -97.9 | 161.4 | 27.1 | 0 | 0 | 122.2 | ||||
| 218 | N | 34.8 | Very low | 38.4 | Very low | 147 Ų | 147 | 129.2 Ų | 129.2 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | trans | 75.4 | 146.3 | 142.9 | -72 | 2.6 | 0 | 0 | 0 | 119.4 | ||||
| 219 | A | 37.4 | Very low | 38.4 | Very low | 67 Ų | 67 | 136.3 Ų | 136.3 | 55% | 0.554 | 76% | 0.759 | S | S | * | * | cis | -177 | 165 | -11.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 220 | N | 38.2 | Very low | 38.7 | Very low | 147 Ų | 147 | 135.1 Ų | 135.1 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | trans | 77 | 138.5 | 152 | -63.1 | -10.9 | 0 | 0 | 0 | 118 | ||||
| 221 | T | 39.8 | Very low | 39.1 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 71% | 0.712 | 76% | 0.764 | S | S | * | * | cis | -174.9 | 147 | 18.5 | 16.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 222 | S | 43.2 | Very low | 38.8 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | 64.4 | 137.5 | 139.8 | -52.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 223 | S | 40.8 | Very low | 39 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | cis | -175.2 | 132.4 | 31.9 | 31.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 224 | S | 41.2 | Very low | 39.3 | Very low | 104 Ų | 104 | 138.5 Ų | 138.5 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | 87 | 137.2 | 104.5 | 165.2 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 225 | L | 39.8 | Very low | 39.5 | Very low | 140 Ų | 140 | 137.9 Ų | 137.9 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | cis | -173.4 | 141.8 | -5.1 | -88.6 | 170.8 | 0 | 0 | 0 | 108 | ||||
| 226 | L | 37.6 | Very low | 39.5 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | trans | 49.7 | 124.3 | 131.3 | -52.7 | 179.4 | 0 | 0 | 0 | 121.4 | ||||
| 227 | V | 36.1 | Very low | 40 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 76% | 0.758 | 75% | 0.75 | S | S | * | * | 91.2 | 122.9 | 60.5 | 167.8 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 228 | S | 40.2 | Very low | 40 | Very low | 104 Ų | 104 | 134.4 Ų | 134.4 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | 89.6 | 116.5 | 143.6 | 56.9 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 229 | R | 38.7 | Very low | 40.1 | Very low | 245 Ų | 245 | 131.7 Ų | 131.7 | 93% | 0.925 | 75% | 0.753 | S | S | * | * | 78.9 | 158.1 | 122.9 | -85.9 | -162.5 | 149.7 | -174.2 | -5.2 | 123.6 | |||||
| 230 | P | 44.3 | Very low | 40.3 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | trans | -117.7 | 177.9 | -138.7 | 45 | -34 | 0 | 0 | 0 | 115.2 | ||||
| 231 | V | 44.3 | Very low | 40.3 | Very low | 137 Ų | 137 | 133 Ų | 133 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | trans | -152.5 | 134.8 | 161.6 | -160 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 232 | D | 35.4 | Very low | 40.7 | Very low | 142 Ų | 142 | 132.9 Ų | 132.9 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | trans | -64.3 | 155.9 | 168.1 | -62.5 | -68.8 | 0 | 0 | 0 | 114.1 | ||||
| 233 | H | 44.2 | Very low | 40.8 | Very low | 187 Ų | 187 | 131.6 Ų | 131.6 | 87% | 0.866 | 76% | 0.759 | S | S | * | * | trans | -165.5 | 139.6 | 135.5 | -104.7 | -60.5 | 0 | 0 | 0 | 114.6 | ||||
| 234 | H | 41.7 | Very low | 41.2 | Very low | 163 Ų | 163 | 134.2 Ų | 134.2 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | trans | -63.1 | 165.1 | -178.1 | -85.4 | -99 | 0 | 0 | 0 | 118.4 | ||||
| 235 | N | 38.6 | Very low | 41.4 | Very low | 136 Ų | 136 | 136.9 Ų | 136.9 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | 116.5 | 103.1 | 132.2 | -87.8 | -3.6 | 0 | 0 | 0 | 120.2 | ||||
| 236 | S | 38 | Very low | 41.6 | Very low | 92 Ų | 92 | 133.9 Ų | 133.9 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | 32.9 | 129.3 | 122.2 | 70.5 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 237 | S | 45.8 | Very low | 42.1 | Very low | 102 Ų | 102 | 135.4 Ų | 135.4 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | 161.7 | 139.8 | 94.3 | 49.5 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 238 | K | 39.6 | Very low | 42.4 | Very low | 198 Ų | 198 | 134 Ų | 134 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | trans | 63.4 | 117.4 | 144.7 | -68.7 | 170.4 | -179.9 | 175.2 | 0 | 119.3 | ||||
| 239 | A | 37.2 | Very low | 42 | Very low | 90 Ų | 90 | 139.7 Ų | 139.7 | 74% | 0.744 | 76% | 0.76 | S | S | * | * | 90 | 146.7 | 62.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 240 | S | 41.5 | Very low | 42.3 | Very low | 109 Ų | 109 | 133.9 Ų | 133.9 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | trans | 91.6 | 104.7 | 170.9 | 73 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 241 | T | 38.6 | Very low | 41.9 | Very low | 133 Ų | 133 | 132.8 Ų | 132.8 | 82% | 0.816 | 75% | 0.749 | S | S | * | * | 88.5 | 143.4 | 70.6 | 40.6 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 242 | S | 47.5 | Very low | 41.9 | Very low | 112 Ų | 112 | 131.5 Ų | 131.5 | 78% | 0.783 | 75% | 0.746 | S | S | * | * | trans | 88.6 | 139.9 | 168.7 | 80.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 243 | S | 44.9 | Very low | 42.3 | Very low | 81 Ų | 81 | 130.1 Ų | 130.1 | 57% | 0.566 | 74% | 0.743 | S | S | * | * | cis | 173.3 | 155.5 | -6.4 | 47.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 244 | H | 49.8 | Very low | 42.2 | Very low | 166 Ų | 166 | 127.8 Ų | 127.8 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | trans | 72.9 | 145.6 | 157.5 | -54.3 | -48.8 | 0 | 0 | 0 | 116.7 | ||||
| 245 | Q | 46.5 | Very low | 42.1 | Very low | 160 Ų | 160 | 126.1 Ų | 126.1 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | cis | -169.8 | 127.4 | 15.4 | -118.5 | 163.4 | 38.5 | 0 | 0 | 106.3 | ||||
| 246 | S | 44 | Very low | 42.2 | Very low | 78 Ų | 78 | 126.2 Ų | 126.2 | 55% | 0.545 | 74% | 0.738 | S | S | . | * | 71 | 149.2 | 107.3 | 64.7 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 247 | H | 47.8 | Very low | 42.5 | Very low | 174 Ų | 174 | 129 Ų | 129 | 81% | 0.806 | 75% | 0.745 | S | S | * | * | trans | 91.9 | 138.1 | 168 | -45.5 | -61.8 | 0 | 0 | 0 | 116.3 | ||||
| 248 | A | 42.1 | Very low | 42.5 | Very low | 96 Ų | 96 | 131.3 Ų | 131.3 | 79% | 0.793 | 75% | 0.747 | S | S | * | * | cis | -168.1 | 152.9 | -11.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 249 | R | 32.4 | Very low | 42.5 | Very low | 223 Ų | 223 | 132.7 Ų | 132.7 | 84% | 0.842 | 75% | 0.747 | S | S | * | * | trans | -74.9 | 156.9 | 170.5 | -162.6 | 177.6 | 173.9 | -153.7 | 0 | 109.7 | ||||
| 250 | P | 44.6 | Very low | 42.5 | Very low | 123 Ų | 123 | 133.8 Ų | 133.8 | 80% | 0.799 | 75% | 0.749 | S | S | * | * | -147.6 | 159 | 109.3 | 34 | -15.7 | 0 | 0 | 0 | 115.2 | |||||
| 251 | S | 36.1 | Very low | 42.5 | Very low | 86 Ų | 86 | 133.9 Ų | 133.9 | 60% | 0.601 | 75% | 0.747 | S | S | * | * | trans | -79.9 | 161.6 | 172.4 | 43.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 252 | S | 44 | Very low | 42.5 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | trans | 121 | 140.2 | 135.3 | 71.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 253 | V | 43.7 | Very low | 42.2 | Very low | 114 Ų | 114 | 137 Ų | 137 | 69% | 0.691 | 75% | 0.753 | S | S | * | * | trans | 108.9 | 102.1 | 145.8 | -164.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 254 | N | 41.1 | Very low | 41.9 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | trans | 55.9 | 131.3 | 132.7 | -54.7 | -7.7 | 0 | 0 | 0 | 123.7 | ||||
| 255 | T | 41 | Very low | 41.3 | Very low | 127 Ų | 127 | 141 Ų | 141 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | 158.4 | 111.9 | 112 | 37.2 | 0 | 0 | 0 | 0 | 108 | |||||
| 256 | D | 40.8 | Very low | 41.1 | Very low | 138 Ų | 138 | 141.1 Ų | 141.1 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | 107.3 | 135.8 | 66.6 | -99.5 | -24.1 | 0 | 0 | 0 | 113.7 | |||||
| 257 | I | 44.1 | Very low | 40.9 | Very low | 152 Ų | 152 | 142.3 Ų | 142.3 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | trans | 91.5 | 118.3 | 153.4 | -52.6 | 147.9 | 0 | 0 | 0 | 115.1 | ||||
| 258 | I | 45.4 | Very low | 40.4 | Very low | 149 Ų | 149 | 143.3 Ų | 143.3 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | cis | -161 | 117.3 | 43.4 | -66.5 | 177.1 | 0 | 0 | 0 | 108.9 | ||||
| 259 | R | 40.3 | Very low | 40.3 | Very low | 227 Ų | 227 | 146.4 Ų | 146.4 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | 76.3 | 107.9 | 94 | -153.5 | -179.2 | -174.7 | -149.8 | 2.3 | 117.7 | |||||
| 260 | S | 36.1 | Very low | 40.5 | Very low | 113 Ų | 113 | 144.9 Ų | 144.9 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -114 | 156.8 | 148.3 | 49.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 261 | P | 42.2 | Very low | 40.3 | Very low | 111 Ų | 111 | 148 Ų | 148 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | trans | -132.1 | 128.1 | 161.1 | 31.2 | -14.1 | 0 | 0 | 0 | 114.1 | ||||
| 262 | Q | 38.4 | Very low | 40.3 | Very low | 201 Ų | 201 | 147.4 Ų | 147.4 | 94% | 0.939 | 79% | 0.792 | S | S | * | * | trans | -92.6 | 147.5 | 154.8 | -70 | -178.8 | -29.3 | 0 | 0 | 109.2 | ||||
| 263 | S | 42.1 | Very low | 39.7 | Very low | 111 Ų | 111 | 147.3 Ų | 147.3 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -160.9 | 129.5 | 145.9 | -159.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 264 | S | 38.6 | Very low | 39.4 | Very low | 94 Ų | 94 | 151.1 Ų | 151.1 | 66% | 0.657 | 80% | 0.797 | S | S | * | * | trans | 49.5 | 115.5 | 137.7 | 62.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 265 | R | 35.4 | Very low | 39.3 | Very low | 236 Ų | 236 | 154.1 Ų | 154.1 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | 63.1 | 119.3 | 84.2 | -73.3 | -173.6 | -174.6 | 178.4 | 2.8 | 115.7 | |||||
| 266 | I | 42.3 | Very low | 39.2 | Very low | 162 Ų | 162 | 153.4 Ų | 153.4 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | 162.2 | 125.5 | 125.2 | -84.7 | 160.9 | 0 | 0 | 0 | 113.8 | |||||
| 267 | S | 40.6 | Very low | 39.1 | Very low | 104 Ų | 104 | 157 Ų | 157 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | trans | 60.6 | 114.6 | 143.4 | -56.6 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 268 | K | 38.2 | Very low | 38.7 | Very low | 194 Ų | 194 | 156.4 Ų | 156.4 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | 30.5 | 120.6 | 123.1 | -65.8 | 178.7 | 178.6 | 174.5 | 0 | 121.5 | |||||
| 269 | N | 38.4 | Very low | 38.2 | Very low | 161 Ų | 161 | 154 Ų | 154 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | 174.6 | 107.4 | 128.8 | -86.6 | -12.8 | 0 | 0 | 0 | 107 | |||||
| 270 | K | 38 | Very low | 38.1 | Very low | 191 Ų | 191 | 151.8 Ų | 151.8 | 83% | 0.83 | 82% | 0.815 | S | S | * | * | 60 | 124.1 | 81.4 | -127 | -174.8 | -171.6 | -173.3 | 0 | 115.4 | |||||
| 271 | E | 40.6 | Very low | 38.1 | Very low | 188 Ų | 188 | 151.7 Ų | 151.7 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | trans | 98.4 | 124.2 | 160.7 | -59 | -178.4 | -178.5 | 0 | 0 | 118.8 | ||||
| 272 | G | 36.1 | Very low | 38.3 | Very low | 75 Ų | 75 | 154.3 Ų | 154.3 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | trans | 125.4 | 87.2 | 144.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 273 | C | 30.5 | Very low | 38.9 | Very low | 107 Ų | 107 | 152.9 Ų | 152.9 | 72% | 0.723 | 82% | 0.819 | S | S | * | * | trans | 71.4 | 112.8 | 130.6 | -128 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 274 | K | 36.5 | Very low | 40.2 | Very low | 194 Ų | 194 | 155.6 Ų | 155.6 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | trans | 80.1 | 128.3 | 137.6 | -70.2 | 171.3 | -175 | 179.3 | 0 | 119.8 | ||||
| 275 | Q | 40.5 | Very low | 42.3 | Very low | 201 Ų | 201 | 156.5 Ų | 156.5 | 94% | 0.939 | 81% | 0.812 | S | S | * | * | trans | -71.8 | 126.5 | 179.4 | -64 | 167.1 | -12.4 | 0 | 0 | 111.5 | ||||
| 276 | S | 39.1 | Very low | 44.9 | Very low | 112 Ų | 112 | 147.1 Ų | 147.1 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | trans | -146.4 | 115.1 | 150.2 | 55.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 277 | K | 37.5 | Very low | 47.2 | Very low | 213 Ų | 213 | 139.4 Ų | 139.4 | 93% | 0.926 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 140.6 | -171.5 | -71.3 | 175.2 | 177.5 | 174 | 0 | 111 | ||
| 278 | T | 36.2 | Very low | 49.6 | Very low | 141 Ų | 141 | 137 Ų | 137 | 87% | 0.865 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -61 | 129.2 | -155.6 | 45.3 | 0 | 0 | 0 | 0 | 116.8 | ||
| 279 | S | 35.6 | Very low | 52.1 | Low | 97 Ų | 97 | 134.5 Ų | 134.5 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 137.5 | 157 | 35.8 | 0 | 0 | 0 | 0 | 115.6 | ||
| 280 | H | 36.7 | Very low | 54.8 | Low | 181 Ų | 181 | 127.2 Ų | 127.2 | 84% | 0.838 | 68% | 0.682 | S | S | * | * | trans | 56.6 | 126.5 | 132.4 | -57.9 | -70 | 0 | 0 | 0 | 122.2 | ||||
| 281 | S | 37.7 | Very low | 57.6 | Low | 111 Ų | 111 | 119.7 Ų | 119.7 | 78% | 0.776 | 65% | 0.651 | S | S | * | * | trans | 74.5 | 79.5 | 138.4 | 177.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 282 | L | 44.8 | Very low | 60.2 | Low | 167 Ų | 167 | 110.7 Ų | 110.7 | 87% | 0.874 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -142.2 | 104.9 | 143.2 | -72.3 | 178.6 | 0 | 0 | 0 | 107.9 | Q284 | L282-Q284 PolarHBondContact O-N 2.85Š|
| 283 | L | 52.3 | Low | 63 | Low | 170 Ų | 170 | 107.1 Ų | 107.1 | 89% | 0.89 | 57% | 0.572 | S | S | * | * | trans | 13.7 | 92.5 | 169.2 | -69.2 | 141.9 | 0 | 0 | 0 | 114.8 | K285 | L283-K285 PolarHBondContact O-N 3.36Š| ||
| 284 | Q | 69.2 | Low | 66 | Low | 169 Ų | 169 | 102 Ų | 102 | 79% | 0.79 | 54% | 0.538 | S | S | * | . | trans | -59 | 114.7 | 175.8 | -73.1 | -170.9 | -13.8 | 0 | 0 | 109.3 | L282 | L282-Q284 PolarHBondContact O-N 2.85Š| ||
| 285 | K | 82.2 | Confident | 68.7 | Low | 112 Ų | 112 | 92.9 Ų | 92.9 | 49% | 0.487 | 50% | 0.498 | S | S | . | . | trans | -64.1 | 137.4 | 176.8 | -61.8 | -173.7 | 172.9 | -167.7 | 0 | 109.2 | L283 L287 S288 L312 | L283-K285 PolarHBondContact O-N 3.36Å; K285-L287 PolarHBondContact O-N 3.04Å; K285-L287 VanDerWaalsContact O-N 3.11Å; K285-S288 WeakPolarHBondContact O-CB 3.29Å; K285-S288 PolarHBondContact O-N 3.32Å; K285-S288 VanDerWaalsContact O-N 3.07Å; K285-S288 PolarHBondContact O-OG 2.77Å; K285-L312 CarbonylContact C-O 3.55Å; K285-L312 VanDerWaalsContact CB-O 3.26Å; K285-L312 WeakPolarHBondContact CB-O 3.47Å | ||
| 286 | P | 89.5 | Confident | 71.1 | Confident | 40 Ų | 40 | 84.4 Ų | 84.4 | 26% | 0.26 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -28.7 | -165.5 | 22 | -34 | 0 | 0 | 0 | 114.6 | L312 N361 | P286-L312 WeakPolarHBondContact CD-O 3.48Å; P286-L312 HydrophobicContact CG-CB 4.1Å; P286-L312 HydrophobicContact CG-CD2 3.5Å; P286-L312 HydrophobicContact CG-CG 4.37Å; P286-N361 PolarHBondContact O-ND2 3.41Å |
| 287 | L | 91.6 | Very high | 73.7 | Confident | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | 24.3 | -179.8 | -58.1 | -176.9 | 0 | 0 | 0 | 112.8 | K285 N289 V290 L312 G313 A314 W351 C355 N361 | K285-L287 PolarHBondContact O-N 3.04Å; K285-L287 VanDerWaalsContact O-N 3.11Å; L287-N289 PolarHBondContact O-N 2.83Å; L287-V290 HydrophobicContact CB-CB 4.23Å; L287-V290 HydrophobicContact CB-CG2 4.19Å; L287-V290 HydrophobicContact CD2-CG2 4.17Å; L287-V290 WeakPolarHBondContact O-CB 3.4Å; L287-V290 PolarHBondContact O-N 2.87Å; L287-L312 WeakPolarHBondContact CA-O 3.31Å; L287-L312 HydrophobicContact CB-CB 4.14Å; L287-L312 HydrophobicContact CD1-CB 3.89Å; L287-L312 HydrophobicContact CD1-CD1 3.66Å; L287-L312 HydrophobicContact CD1-CG 4.46Å; L287-L312 HydrophobicContact CG-CB 3.99Å; L287-L312 HydrophobicContact CG-CD1 4.32Å; L287-L312 PolarHBondContact N-O 2.64Å; L287-G313 CarbonylContact O-C 3.45Å; L287-A314 HydrophobicContact CB-CB 4.02Å; L287-A314 VanDerWaalsContact O-CA 3.28Å; L287-A314 WeakPolarHBondContact O-CA 3.47Å; L287-A314 PolarHBondContact O-N 3.4Å; L287-W351 HydrophobicContact CD2-CH2 4.27Å; L287-W351 HydrophobicContact CD2-CZ2 4.13Å; L287-C355 HydrophobicContact CD1-CB 4.11Å; L287-N361 HydrophobicContact CD2-CB 4.25Å |
| 288 | S | 90.6 | Very high | 76.2 | Confident | 52 Ų | 52 | 75.5 Ų | 75.5 | 36% | 0.364 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -25.5 | -176.6 | 66.6 | 0 | 0 | 0 | 0 | 115.4 | K285 G313 | K285-S288 WeakPolarHBondContact O-CB 3.29Å; K285-S288 PolarHBondContact O-N 3.32Å; K285-S288 VanDerWaalsContact O-N 3.07Å; K285-S288 PolarHBondContact O-OG 2.77Å; S288-G313 WeakPolarHBondContact CA-O 3.49Å |
| 289 | N | 91.5 | Very high | 78.5 | Confident | 143 Ų | 143 | 72.1 Ų | 72.1 | 77% | 0.765 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 4.2 | -178.2 | -62 | -17.9 | 0 | 0 | 0 | 113.1 | L287 | L287-N289 PolarHBondContact O-N 2.83Š|
| 290 | V | 94.8 | Very high | 81.2 | Confident | 7 Ų | 7 | 71.8 Ų | 71.8 | 4% | 0.042 | 39% | 0.385 | C | S | . | . | trans | -98.8 | 121 | -177 | 175.8 | 0 | 0 | 0 | 0 | 109.5 | L287 L292 A314 K315 H326 W351 | L287-V290 HydrophobicContact CB-CB 4.23Å; L287-V290 HydrophobicContact CB-CG2 4.19Å; L287-V290 HydrophobicContact CD2-CG2 4.17Å; L287-V290 WeakPolarHBondContact O-CB 3.4Å; L287-V290 PolarHBondContact O-N 2.87Å; V290-L292 HydrophobicContact CG1-CB 4.3Å; V290-L292 HydrophobicContact CG1-CD2 4.41Å; V290-A314 HydrophobicContact CB-CB 4.14Å; V290-A314 HydrophobicContact CG1-CB 4.28Å; V290-A314 CarbonylContact O-C 3.14Å; V290-A314 VanDerWaalsContact O-CA 3.24Å; V290-A314 WeakPolarHBondContact O-CA 3.28Å; V290-A314 WeakPolarHBondContact O-CB 3.13Å; V290-K315 PolarHBondContact O-N 3.4Å; V290-H326 HydrophobicContact CG1-CB 4.2Å; V290-W351 HydrophobicContact CG1-CH2 4.13Å; V290-W351 HydrophobicContact CG1-CZ3 4.35Å; V290-W351 HydrophobicContact CG2-CH2 4.13Å | ||
| 291 | I | 95.6 | Very high | 83.9 | Confident | 33 Ų | 33 | 66.8 Ų | 66.8 | 17% | 0.169 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 122.3 | 166.4 | -54.8 | -178.8 | 0 | 0 | 0 | 107 | K315 R317 D323 T325 H326 | I291-K315 CarbonylContact C-O 3.48Å; I291-K315 WeakPolarHBondContact CA-O 3.45Å; I291-K315 HydrophobicContact CG1-CB 4.23Å; I291-K315 HydrophobicContact CG1-CD 4.47Å; I291-R317 HydrophobicContact CG2-CG 3.8Å; I291-D323 WeakPolarHBondContact CB-O 3.41Å; I291-D323 HydrophobicContact CD1-CB 4.11Å; I291-D323 VanDerWaalsContact CD1-O 3.3Å; I291-D323 WeakPolarHBondContact CD1-O 3.45Å; I291-T325 PolarHBondContact N-OG1 3.45Å; I291-T325 PolarHBondContact O-N 2.96Å; I291-T325 PolarHBondContact O-OG1 3.03Å; I291-H326 PolarHBondContact O-N 3.23Å; I291-H326 VanDerWaalsContact O-N 3.09Å |
| 292 | L | 95.5 | Very high | 86.5 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 152.5 | -173.4 | 72.6 | 87 | 0 | 0 | 0 | 114.3 | V290 L294 A309 A314 K315 Y316 R317 H326 I328 I352 | V290-L292 HydrophobicContact CG1-CB 4.3Å; V290-L292 HydrophobicContact CG1-CD2 4.41Å; L292-L294 HydrophobicContact CD1-CD2 3.72Å; L292-L294 HydrophobicContact CD1-CG 4.07Å; L292-A309 HydrophobicContact CD2-CB 3.5Å; L292-A309 VanDerWaalsContact CD2-CB 3.5Å; L292-A314 HydrophobicContact CD2-CB 3.96Å; L292-K315 PolarHBondContact N-O 2.79Å; L292-Y316 HydrophobicContact CD1-CD2 3.87Å; L292-Y316 CarbonylContact O-C 3.43Å; L292-Y316 WeakPolarHBondContact O-CA 3.38Å; L292-R317 PolarHBondContact O-N 2.88Å; L292-H326 WeakPolarHBondContact CA-O 3.08Å; L292-H326 HydrophobicContact CB-CB 4.25Å; L292-H326 WeakPolarHBondContact CB-O 3.38Å; L292-I328 HydrophobicContact CB-CG1 4.32Å; L292-I328 HydrophobicContact CD1-CG1 4.04Å; L292-I328 HydrophobicContact CD2-CG1 4.4Å; L292-I352 HydrophobicContact CD2-CD1 3.81Å |
| 293 | T | 94.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 148.1 | 171.7 | -57.3 | 0 | 0 | 0 | 0 | 109.2 | R317 Q318 D319 H326 L327 I328 K336 | T293-R317 WeakPolarHBondContact CA-O 3.49Å; T293-R317 PolarHBondContact OG1-O 2.83Å; T293-Q318 VanDerWaalsContact CG2-O 3.28Å; T293-Q318 WeakPolarHBondContact CG2-O 3.2Å; T293-D319 PolarHBondContact OG1-O 2.78Å; T293-H326 PolarHBondContact N-O 3.11Å; T293-L327 HydrophobicContact CG2-CD1 4.13Å; T293-I328 PolarHBondContact O-N 3.07Å; T293-K336 HydrophobicContact CG2-CD 4.25Å |
| 294 | L | 94.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 133.1 | -179.6 | -60.3 | -179.7 | 0 | 0 | 0 | 111.3 | L292 R302 I305 R306 Y316 I328 | L292-L294 HydrophobicContact CD1-CD2 3.72Å; L292-L294 HydrophobicContact CD1-CG 4.07Å; L294-R302 HydrophobicContact CD1-CG 3.78Å; L294-R302 WeakPolarHBondContact CD1-O 3.28Å; L294-R302 PolarHBondContact O-NH1 3.49Å; L294-R302 PolarHBondContact O-NH2 3.26Å; L294-I305 HydrophobicContact CD2-CG2 3.78Å; L294-R306 HydrophobicContact CD1-CB 4.05Å; L294-Y316 HydrophobicContact CB-CE2 4.14Å; L294-Y316 HydrophobicContact CD1-CD2 4.45Å; L294-Y316 HydrophobicContact CD1-CE2 3.93Å; L294-Y316 HydrophobicContact CG-CD2 4.2Å; L294-Y316 HydrophobicContact CG-CE2 3.71Å; L294-I328 HydrophobicContact CD2-CB 3.5Å; L294-I328 HydrophobicContact CD2-CG1 3.65Å; L294-I328 HydrophobicContact CD2-CG2 4.11Å |
| 295 | S | 92.9 | Very high | 92.1 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.014 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 132 | 176.1 | -177.2 | 0 | 0 | 0 | 0 | 112.2 | Y297 I328 C329 A330 T334 | S295-Y297 WeakPolarHBondContact O-CD2 3.43Å; S295-I328 PolarHBondContact N-O 3.02Å; S295-C329 WeakPolarHBondContact O-CA 3.49Å; S295-A330 PolarHBondContact O-N 3.16Å; S295-T334 PolarHBondContact OG-OG1 2.89Å; S295-T334 VanDerWaalsContact OG-OG1 3.07Å |
| 296 | G | 91.1 | Very high | 92.8 | Very high | 22 Ų | 22 | 39 Ų | 39 | 23% | 0.227 | 22% | 0.215 | C | C | . | . | S | Bend | trans | 83.1 | 13.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | A330 T506 | G296-A330 WeakPolarHBondContact O-CB 3.11Å; G296-T506 PolarHBondContact N-OG1 2.96Å; G296-T506 VanDerWaalsContact N-OG1 3.13Å |
| 297 | Y | 92.7 | Very high | 93.1 | Very high | 10 Ų | 10 | 40.9 Ų | 40.9 | 4% | 0.039 | 22% | 0.224 | C | C | . | . | trans | -107.6 | 138.3 | 176.7 | -66.2 | -79.2 | 0 | 0 | 0 | 111 | S295 L301 I305 I328 C329 A330 D349 | S295-Y297 WeakPolarHBondContact O-CD2 3.43Å; Y297-L301 HydrophobicContact CD1-CD2 3.93Å; Y297-L301 HydrophobicContact CD1-CG 4.28Å; Y297-L301 HydrophobicContact CE1-CD2 4.42Å; Y297-I305 HydrophobicContact CD1-CD1 3.57Å; Y297-I305 HydrophobicContact CD2-CD1 4.16Å; Y297-I305 HydrophobicContact CE1-CD1 3.73Å; Y297-I305 HydrophobicContact CE2-CD1 4.3Å; Y297-I305 HydrophobicContact CG-CD1 3.81Å; Y297-I328 HydrophobicContact CE2-CG2 3.89Å; Y297-C329 PolarHBondContact OH-O 3.16Å; Y297-A330 HydrophobicContact CD1-CB 4Å; Y297-A330 HydrophobicContact CD2-CB 4.21Å; Y297-A330 HydrophobicContact CE1-CB 3.71Å; Y297-A330 HydrophobicContact CE2-CB 3.92Å; Y297-A330 VanDerWaalsContact CE2-N 3.35Å; Y297-A330 HydrophobicContact CG-CB 4.24Å; Y297-A330 WeakPolarHBondContact OH-CA 3.5Å; Y297-D349 HydrophobicContact CE1-CB 3.77Å; Y297-D349 HydrophobicContact CE2-CB 4.43Å; Y297-D349 VanDerWaalsContact OH-CB 3.23Å; Y297-D349 WeakPolarHBondContact OH-CB 3.46Å; Y297-D349 VanDerWaalsContact OH-CG 3.28Å; Y297-D349 PolarHBondContact OH-N 2.96Å; Y297-D349 PolarHBondContact OH-OD1 3.02Å | ||
| 298 | Q | 89.3 | Confident | 93.3 | Very high | 129 Ų | 129 | 43.5 Ų | 43.5 | 60% | 0.603 | 24% | 0.235 | S | C | * | . | trans | -95.9 | 149.5 | 174.8 | -64 | 177 | 5.2 | 0 | 0 | 110.8 | L301 R302 | Q298-L301 WeakPolarHBondContact O-CA 3.46Å; Q298-L301 WeakPolarHBondContact O-CB 3.25Å; Q298-L301 PolarHBondContact O-N 2.92Å; Q298-R302 PolarHBondContact O-N 3.3Å | ||
| 299 | N | 86.1 | Confident | 93.5 | Very high | 69 Ų | 69 | 41.1 Ų | 41.1 | 37% | 0.369 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | 136.1 | 172.3 | -147.4 | 28.8 | 0 | 0 | 0 | 109.3 | S303 N505 | N299-S303 WeakPolarHBondContact OD1-CB 3.41Å; N299-S303 PolarHBondContact OD1-N 2.84Å; N299-S303 PolarHBondContact OD1-OG 3.23Å; N299-N505 WeakPolarHBondContact CB-OD1 3.44Å; N299-N505 PolarHBondContact N-OD1 3.16Å |
| 300 | P | 91.4 | Very high | 93.7 | Very high | 90 Ų | 90 | 37.9 Ų | 37.9 | 58% | 0.584 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -84.8 | -13.2 | 16.8 | 33.3 | -36.8 | 0 | 0 | 0 | 115.7 | R302 S303 Q304 | P300-R302 VanDerWaalsContact C-N 3.32Å; P300-R302 PolarHBondContact O-N 3.07Å; P300-S303 PolarHBondContact O-N 2.97Å; P300-Q304 WeakPolarHBondContact O-CG 3.46Å; P300-Q304 PolarHBondContact O-N 3.11Å |
| 301 | L | 92.9 | Very high | 93.7 | Very high | 76 Ų | 76 | 42.4 Ų | 42.4 | 40% | 0.398 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.5 | -38.7 | -174.8 | -179.5 | 61.7 | 0 | 0 | 0 | 112 | Y297 Q298 S303 Q304 I305 | Y297-L301 HydrophobicContact CD1-CD2 3.93Å; Y297-L301 HydrophobicContact CD1-CG 4.28Å; Y297-L301 HydrophobicContact CE1-CD2 4.42Å; Q298-L301 WeakPolarHBondContact O-CA 3.46Å; Q298-L301 WeakPolarHBondContact O-CB 3.25Å; Q298-L301 PolarHBondContact O-N 2.92Å; L301-S303 PolarHBondContact O-N 3.26Å; L301-Q304 PolarHBondContact O-N 3.27Å; L301-I305 HydrophobicContact CD1-CD1 4.14Å; L301-I305 HydrophobicContact CD1-CG1 4.26Å; L301-I305 HydrophobicContact CG-CD1 3.9Å; L301-I305 HydrophobicContact CG-CG1 4.48Å; L301-I305 WeakPolarHBondContact O-CD1 2.81Å; L301-I305 VanDerWaalsContact O-CG1 3.28Å; L301-I305 WeakPolarHBondContact O-CG1 3.34Å; L301-I305 PolarHBondContact O-N 2.91Å |
| 302 | R | 93.5 | Very high | 93.7 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.015 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.6 | -50.8 | 174.8 | -174 | -179.7 | 178.3 | 85.6 | 0.4 | 111.8 | L294 Q298 P300 I305 R306 Y316 E504 T506 E509 | L294-R302 HydrophobicContact CD1-CG 3.78Å; L294-R302 WeakPolarHBondContact CD1-O 3.28Å; L294-R302 PolarHBondContact O-NH1 3.49Å; L294-R302 PolarHBondContact O-NH2 3.26Å; Q298-R302 PolarHBondContact O-N 3.3Å; P300-R302 VanDerWaalsContact C-N 3.32Å; P300-R302 PolarHBondContact O-N 3.07Å; R302-I305 PolarHBondContact O-N 3.44Å; R302-R306 PolarHBondContact O-N 2.7Å; R302-Y316 PolarHBondContact NH2-OH 2.98Å; R302-E504 WeakPolarHBondContact CD-O 3.49Å; R302-E504 PolarHBondContact NE-O 3.38Å; R302-T506 PolarHBondContact NH1-OG1 2.9Å; R302-E509 IonicContact NH2-OE2 2.75Å |
| 303 | S | 93.2 | Very high | 93.6 | Very high | 17 Ų | 17 | 41.7 Ų | 41.7 | 12% | 0.119 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.4 | -43 | 177.4 | -63.1 | 0 | 0 | 0 | 0 | 111.6 | N299 P300 L301 I305 R306 D307 | N299-S303 WeakPolarHBondContact OD1-CB 3.41Å; N299-S303 PolarHBondContact OD1-N 2.84Å; N299-S303 PolarHBondContact OD1-OG 3.23Å; P300-S303 PolarHBondContact O-N 2.97Å; L301-S303 PolarHBondContact O-N 3.26Å; S303-I305 VanDerWaalsContact C-N 3.3Å; S303-I305 PolarHBondContact O-N 2.81Å; S303-R306 WeakPolarHBondContact O-CB 3.15Å; S303-R306 PolarHBondContact O-N 2.86Å; S303-R306 VanDerWaalsContact O-N 3.11Å; S303-D307 WeakPolarHBondContact O-CB 3.27Å; S303-D307 PolarHBondContact O-N 3.49Å |
| 304 | Q | 95.5 | Very high | 93.6 | Very high | 96 Ų | 96 | 42 Ų | 42 | 45% | 0.449 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.6 | -40.2 | 177.5 | -69.9 | 172.5 | 19.2 | 0 | 0 | 112.8 | P300 L301 K308 | P300-Q304 WeakPolarHBondContact O-CG 3.46Å; P300-Q304 PolarHBondContact O-N 3.11Å; L301-Q304 PolarHBondContact O-N 3.27Å; Q304-K308 WeakPolarHBondContact O-CB 2.99Å; Q304-K308 WeakPolarHBondContact O-CG 3.22Å; Q304-K308 PolarHBondContact O-N 2.87Å |
| 305 | I | 95.6 | Very high | 93.7 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.6 | -44.3 | 176.2 | -63.7 | 160.3 | 0 | 0 | 0 | 110.4 | L294 Y297 L301 R302 S303 A309 I328 D349 I352 | L294-I305 HydrophobicContact CD2-CG2 3.78Å; Y297-I305 HydrophobicContact CD1-CD1 3.57Å; Y297-I305 HydrophobicContact CD2-CD1 4.16Å; Y297-I305 HydrophobicContact CE1-CD1 3.73Å; Y297-I305 HydrophobicContact CE2-CD1 4.3Å; Y297-I305 HydrophobicContact CG-CD1 3.81Å; L301-I305 HydrophobicContact CD1-CD1 4.14Å; L301-I305 HydrophobicContact CD1-CG1 4.26Å; L301-I305 HydrophobicContact CG-CD1 3.9Å; L301-I305 HydrophobicContact CG-CG1 4.48Å; L301-I305 WeakPolarHBondContact O-CD1 2.81Å; L301-I305 VanDerWaalsContact O-CG1 3.28Å; L301-I305 WeakPolarHBondContact O-CG1 3.34Å; L301-I305 PolarHBondContact O-N 2.91Å; R302-I305 PolarHBondContact O-N 3.44Å; S303-I305 VanDerWaalsContact C-N 3.3Å; S303-I305 PolarHBondContact O-N 2.81Å; I305-A309 WeakPolarHBondContact O-CB 3.4Å; I305-A309 PolarHBondContact O-N 3.44Å; I305-I328 HydrophobicContact CG2-CG2 4.35Å; I305-D349 HydrophobicContact CD1-CB 3.45Å; I305-D349 VanDerWaalsContact CD1-CB 3.45Å; I305-D349 HydrophobicContact CG1-CB 3.93Å; I305-I352 HydrophobicContact CG2-CB 4.46Å; I305-I352 HydrophobicContact CG2-CD1 3.54Å; I305-I352 HydrophobicContact CG2-CG2 4.43Å |
| 306 | R | 95.8 | Very high | 93.8 | Very high | 26 Ų | 26 | 49.5 Ų | 49.5 | 10% | 0.098 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.3 | -51.1 | 175.9 | -176 | -173.7 | 64.4 | -168.4 | -15.8 | 110.7 | L294 R302 S303 K308 A309 L310 Y316 E502 D503 | L294-R306 HydrophobicContact CD1-CB 4.05Å; R302-R306 PolarHBondContact O-N 2.7Å; S303-R306 WeakPolarHBondContact O-CB 3.15Å; S303-R306 PolarHBondContact O-N 2.86Å; S303-R306 VanDerWaalsContact O-N 3.11Å; R306-K308 PolarHBondContact O-N 3.28Å; R306-A309 WeakPolarHBondContact O-CB 3.26Å; R306-A309 PolarHBondContact O-N 3.02Å; R306-A309 VanDerWaalsContact O-N 3.12Å; R306-L310 HydrophobicContact CG-CD1 3.96Å; R306-L310 HydrophobicContact CG-CG 4.34Å; R306-L310 WeakPolarHBondContact O-CG 3.41Å; R306-L310 PolarHBondContact O-N 3.48Å; R306-Y316 VanDerWaalsContact CD-CD1 3.48Å; R306-Y316 HydrophobicContact CG-CD1 3.92Å; R306-Y316 HydrophobicContact CG-CD2 4.27Å; R306-Y316 HydrophobicContact CG-CE1 4.4Å; R306-Y316 HydrophobicContact CG-CG 3.83Å; R306-E502 PolarHBondContact NH1-O 2.75Å; R306-E502 IonicContact NH1-OE2 2.71Å; R306-E502 PolarHBondContact NH1-OE2 2.58Å; R306-D503 IonicContact CZ-OD1 2.76Å; R306-D503 IonicContact NH1-OD1 2.92Å; R306-D503 PolarHBondContact NH1-OD1 3.22Å; R306-D503 IonicContact NH2-OD1 3.11Å; R306-D503 PolarHBondContact NH2-OD1 3.17Å |
| 307 | D | 95.7 | Very high | 93.9 | Very high | 81 Ų | 81 | 54.7 Ų | 54.7 | 43% | 0.433 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.4 | -44.1 | -175.7 | -60.6 | -14.6 | 0 | 0 | 0 | 111.1 | S303 A309 L310 E311 | S303-D307 WeakPolarHBondContact O-CB 3.27Å; S303-D307 PolarHBondContact O-N 3.49Å; D307-A309 VanDerWaalsContact C-N 3.28Å; D307-A309 PolarHBondContact O-N 3.44Å; D307-L310 PolarHBondContact O-N 3.19Å; D307-E311 WeakPolarHBondContact O-CB 3.48Å; D307-E311 PolarHBondContact O-N 3.01Å |
| 308 | K | 95.8 | Very high | 93.8 | Very high | 54 Ų | 54 | 56.5 Ų | 56.5 | 24% | 0.235 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.7 | -42.2 | 172.7 | -76.5 | 175.8 | -179.2 | 179.9 | 0 | 111.9 | Q304 R306 L312 I352 Y356 | Q304-K308 WeakPolarHBondContact O-CB 2.99Å; Q304-K308 WeakPolarHBondContact O-CG 3.22Å; Q304-K308 PolarHBondContact O-N 2.87Å; R306-K308 PolarHBondContact O-N 3.28Å; K308-L312 VanDerWaalsContact O-CG 3.29Å; K308-L312 WeakPolarHBondContact O-CG 3.4Å; K308-L312 PolarHBondContact O-N 3.34Å; K308-I352 HydrophobicContact CB-CG2 3.86Å; K308-Y356 HydrophobicContact CB-CD2 3.78Å; K308-Y356 HydrophobicContact CB-CE2 4.31Å; K308-Y356 HydrophobicContact CB-CG 4.18Å; K308-Y356 HydrophobicContact CD-CD1 4.37Å; K308-Y356 HydrophobicContact CD-CD2 4.48Å; K308-Y356 HydrophobicContact CD-CG 4.16Å; K308-Y356 HydrophobicContact CG-CD1 4.3Å; K308-Y356 HydrophobicContact CG-CD2 3.73Å; K308-Y356 HydrophobicContact CG-CE2 3.98Å; K308-Y356 HydrophobicContact CG-CG 3.89Å |
| 309 | A | 95.7 | Very high | 93.8 | Very high | 2 Ų | 2 | 55 Ų | 55 | 2% | 0.017 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.7 | -42 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L292 I305 R306 D307 E311 L312 G313 A314 I352 | L292-A309 HydrophobicContact CD2-CB 3.5Å; L292-A309 VanDerWaalsContact CD2-CB 3.5Å; I305-A309 WeakPolarHBondContact O-CB 3.4Å; I305-A309 PolarHBondContact O-N 3.44Å; R306-A309 WeakPolarHBondContact O-CB 3.26Å; R306-A309 PolarHBondContact O-N 3.02Å; R306-A309 VanDerWaalsContact O-N 3.12Å; D307-A309 VanDerWaalsContact C-N 3.28Å; D307-A309 PolarHBondContact O-N 3.44Å; A309-E311 VanDerWaalsContact C-N 3.31Å; A309-E311 PolarHBondContact O-N 3.23Å; A309-L312 CarbonylContact O-C 3.55Å; A309-L312 PolarHBondContact O-N 3.42Å; A309-G313 PolarHBondContact O-N 3.46Å; A309-G313 VanDerWaalsContact O-N 3.15Å; A309-A314 HydrophobicContact CB-CB 4.07Å; A309-A314 WeakPolarHBondContact O-CB 3.46Å; A309-A314 PolarHBondContact O-N 3.26Å; A309-I352 HydrophobicContact CB-CD1 4.13Å; A309-I352 HydrophobicContact CB-CG2 4.16Å |
| 310 | L | 95.3 | Very high | 94 | Very high | 75 Ų | 75 | 53.8 Ų | 53.8 | 39% | 0.393 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.5 | -38.2 | 175.5 | -68.9 | 175.9 | 0 | 0 | 0 | 111.4 | R306 D307 G313 A314 | R306-L310 HydrophobicContact CG-CD1 3.96Å; R306-L310 HydrophobicContact CG-CG 4.34Å; R306-L310 WeakPolarHBondContact O-CG 3.41Å; R306-L310 PolarHBondContact O-N 3.48Å; D307-L310 PolarHBondContact O-N 3.19Å; L310-G313 PolarHBondContact O-N 3.23Å; L310-G313 VanDerWaalsContact O-N 3.08Å; L310-A314 WeakPolarHBondContact CD2-O 3.23Å |
| 311 | E | 94.4 | Very high | 93.9 | Very high | 102 Ų | 102 | 50.3 Ų | 50.3 | 48% | 0.477 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.8 | -44.1 | 174.7 | -167.1 | -175.8 | 129.7 | 0 | 0 | 111.4 | D307 A309 G313 Y356 K359 | D307-E311 WeakPolarHBondContact O-CB 3.48Å; D307-E311 PolarHBondContact O-N 3.01Å; A309-E311 VanDerWaalsContact C-N 3.31Å; A309-E311 PolarHBondContact O-N 3.23Å; E311-G313 PolarHBondContact O-N 2.88Å; E311-Y356 HydrophobicContact CB-CE2 4.39Å; E311-Y356 HydrophobicContact CG-CE2 4.45Å; E311-Y356 WeakPolarHBondContact OE1-CE2 3.4Å; E311-Y356 WeakPolarHBondContact OE2-CE2 3.49Å; E311-Y356 PolarHBondContact OE2-OH 3.16Å; E311-K359 IonicContact OE1-NZ 2.89Å; E311-K359 PolarHBondContact OE1-NZ 2.75Å |
| 312 | L | 95.1 | Very high | 93.6 | Very high | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -0.9 | 174.8 | -65.9 | 171 | 0 | 0 | 0 | 114.2 | K285 P286 L287 K308 A309 C355 Y356 K359 | K285-L312 CarbonylContact C-O 3.55Å; K285-L312 VanDerWaalsContact CB-O 3.26Å; K285-L312 WeakPolarHBondContact CB-O 3.47Å; P286-L312 WeakPolarHBondContact CD-O 3.48Å; P286-L312 HydrophobicContact CG-CB 4.1Å; P286-L312 HydrophobicContact CG-CD2 3.5Å; P286-L312 HydrophobicContact CG-CG 4.37Å; L287-L312 WeakPolarHBondContact CA-O 3.31Å; L287-L312 HydrophobicContact CB-CB 4.14Å; L287-L312 HydrophobicContact CD1-CB 3.89Å; L287-L312 HydrophobicContact CD1-CD1 3.66Å; L287-L312 HydrophobicContact CD1-CG 4.46Å; L287-L312 HydrophobicContact CG-CB 3.99Å; L287-L312 HydrophobicContact CG-CD1 4.32Å; L287-L312 PolarHBondContact N-O 2.64Å; K308-L312 VanDerWaalsContact O-CG 3.29Å; K308-L312 WeakPolarHBondContact O-CG 3.4Å; K308-L312 PolarHBondContact O-N 3.34Å; A309-L312 CarbonylContact O-C 3.55Å; A309-L312 PolarHBondContact O-N 3.42Å; L312-C355 HydrophobicContact CD1-CB 3.76Å; L312-Y356 HydrophobicContact CD1-CD2 4.4Å; L312-Y356 HydrophobicContact CG-CD2 4.24Å; L312-K359 HydrophobicContact CD2-CD 4.29Å |
| 313 | G | 94.1 | Very high | 93.5 | Very high | 15 Ų | 15 | 56.2 Ų | 56.2 | 16% | 0.155 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | 2.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | L287 S288 A309 L310 E311 | L287-G313 CarbonylContact O-C 3.45Å; S288-G313 WeakPolarHBondContact CA-O 3.49Å; A309-G313 PolarHBondContact O-N 3.46Å; A309-G313 VanDerWaalsContact O-N 3.15Å; L310-G313 PolarHBondContact O-N 3.23Å; L310-G313 VanDerWaalsContact O-N 3.08Å; E311-G313 PolarHBondContact O-N 2.88Å |
| 314 | A | 95.6 | Very high | 93.5 | Very high | 5 Ų | 5 | 55.8 Ų | 55.8 | 4% | 0.041 | 28% | 0.281 | C | S | . | . | trans | -66.1 | 158.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | L287 V290 L292 A309 L310 | L287-A314 HydrophobicContact CB-CB 4.02Å; L287-A314 VanDerWaalsContact O-CA 3.28Å; L287-A314 WeakPolarHBondContact O-CA 3.47Å; L287-A314 PolarHBondContact O-N 3.4Å; V290-A314 HydrophobicContact CB-CB 4.14Å; V290-A314 HydrophobicContact CG1-CB 4.28Å; V290-A314 CarbonylContact O-C 3.14Å; V290-A314 VanDerWaalsContact O-CA 3.24Å; V290-A314 WeakPolarHBondContact O-CA 3.28Å; V290-A314 WeakPolarHBondContact O-CB 3.13Å; L292-A314 HydrophobicContact CD2-CB 3.96Å; A309-A314 HydrophobicContact CB-CB 4.07Å; A309-A314 WeakPolarHBondContact O-CB 3.46Å; A309-A314 PolarHBondContact O-N 3.26Å; L310-A314 WeakPolarHBondContact CD2-O 3.23Å | ||
| 315 | K | 95.7 | Very high | 93.4 | Very high | 134 Ų | 134 | 53.6 Ų | 53.6 | 58% | 0.583 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 138.1 | 170.5 | -60.7 | 178.9 | -178.1 | 175.4 | 0 | 109.2 | V290 I291 L292 | V290-K315 PolarHBondContact O-N 3.4Å; I291-K315 CarbonylContact C-O 3.48Å; I291-K315 WeakPolarHBondContact CA-O 3.45Å; I291-K315 HydrophobicContact CG1-CB 4.23Å; I291-K315 HydrophobicContact CG1-CD 4.47Å; L292-K315 PolarHBondContact N-O 2.79Å |
| 316 | Y | 95.6 | Very high | 93.4 | Very high | 26 Ų | 26 | 54.2 Ų | 54.2 | 10% | 0.102 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 142.5 | 177.4 | 171 | -111.6 | 0 | 0 | 0 | 111.1 | L292 L294 R302 R306 E502 | L292-Y316 HydrophobicContact CD1-CD2 3.87Å; L292-Y316 CarbonylContact O-C 3.43Å; L292-Y316 WeakPolarHBondContact O-CA 3.38Å; L294-Y316 HydrophobicContact CB-CE2 4.14Å; L294-Y316 HydrophobicContact CD1-CD2 4.45Å; L294-Y316 HydrophobicContact CD1-CE2 3.93Å; L294-Y316 HydrophobicContact CG-CD2 4.2Å; L294-Y316 HydrophobicContact CG-CE2 3.71Å; R302-Y316 PolarHBondContact NH2-OH 2.98Å; R306-Y316 VanDerWaalsContact CD-CD1 3.48Å; R306-Y316 HydrophobicContact CG-CD1 3.92Å; R306-Y316 HydrophobicContact CG-CD2 4.27Å; R306-Y316 HydrophobicContact CG-CE1 4.4Å; R306-Y316 HydrophobicContact CG-CG 3.83Å; Y316-E502 HydrophobicContact CE1-CB 4.37Å |
| 317 | R | 93.1 | Very high | 93.3 | Very high | 131 Ų | 131 | 53 Ų | 53 | 49% | 0.494 | 27% | 0.273 | S | S | . | . | trans | -130.2 | 136.9 | 169.4 | -66.5 | -66.4 | -160.1 | -179.7 | 4.4 | 109.1 | I291 L292 T293 D319 D323 | I291-R317 HydrophobicContact CG2-CG 3.8Å; L292-R317 PolarHBondContact O-N 2.88Å; T293-R317 WeakPolarHBondContact CA-O 3.49Å; T293-R317 PolarHBondContact OG1-O 2.83Å; R317-D319 WeakPolarHBondContact CB-O 3.34Å; R317-D323 IonicContact CZ-OD2 3.49Å; R317-D323 IonicContact NE-OD2 2.68Å; R317-D323 PolarHBondContact NE-OD2 2.99Å; R317-D323 IonicContact NH2-OD2 3.16Å; R317-D323 PolarHBondContact NH2-OD2 3.2Å | ||
| 318 | Q | 90.2 | Very high | 93.4 | Very high | 49 Ų | 49 | 49.1 Ų | 49.1 | 23% | 0.229 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -65.8 | -47.3 | 176.3 | -177.4 | 166.3 | 14.1 | 0 | 0 | 111.5 | T293 K336 P501 | T293-Q318 VanDerWaalsContact CG2-O 3.28Å; T293-Q318 WeakPolarHBondContact CG2-O 3.2Å; Q318-K336 PolarHBondContact O-NZ 2.82Å; Q318-P501 PolarHBondContact NE2-O 3Å |
| 319 | D | 89.8 | Confident | 93.3 | Very high | 97 Ų | 97 | 46.5 Ų | 46.5 | 52% | 0.519 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -102.1 | 155.7 | 178.9 | -64.9 | -39.9 | 0 | 0 | 0 | 112.3 | T293 R317 G321 K336 | T293-D319 PolarHBondContact OG1-O 2.78Å; R317-D319 WeakPolarHBondContact CB-O 3.34Å; D319-G321 PolarHBondContact O-N 2.71Å; D319-K336 IonicContact OD1-NZ 3.81Å |
| 320 | W | 89.7 | Confident | 93.1 | Very high | 43 Ų | 43 | 47.7 Ų | 47.7 | 16% | 0.163 | 25% | 0.251 | C | S | . | . | trans | -76.5 | 114.5 | 174.9 | -178.9 | -94.3 | 0 | 0 | 0 | 110.3 | C324 L327 L339 V340 | W320-C324 HydrophobicContact CD2-CB 3.83Å; W320-C324 HydrophobicContact CE3-CB 3.49Å; W320-C324 VanDerWaalsContact CE3-CB 3.49Å; W320-C324 HydrophobicContact CH2-CB 3.85Å; W320-C324 VanDerWaalsContact CH2-O 3.27Å; W320-C324 WeakPolarHBondContact CH2-O 3.11Å; W320-C324 HydrophobicContact CZ2-CB 4.16Å; W320-C324 WeakPolarHBondContact CZ2-O 3.4Å; W320-C324 HydrophobicContact CZ3-CB 3.51Å; W320-L327 HydrophobicContact CE3-CB 4.3Å; W320-L327 HydrophobicContact CZ3-CB 3.96Å; W320-L339 HydrophobicContact CB-CD2 4.46Å; W320-V340 HydrophobicContact CB-CG2 4.04Å; W320-V340 HydrophobicContact CD2-CB 4.26Å; W320-V340 HydrophobicContact CD2-CG1 4.09Å; W320-V340 HydrophobicContact CD2-CG2 3.18Å; W320-V340 HydrophobicContact CE3-CG1 4.07Å; W320-V340 HydrophobicContact CE3-CG2 3.55Å; W320-V340 HydrophobicContact CG-CG2 3.39Å; W320-V340 HydrophobicContact CH2-CG1 3.54Å; W320-V340 HydrophobicContact CH2-CG2 4.44Å; W320-V340 HydrophobicContact CZ2-CB 4.43Å; W320-V340 HydrophobicContact CZ2-CG1 3.54Å; W320-V340 HydrophobicContact CZ2-CG2 4.16Å; W320-V340 HydrophobicContact CZ3-CG1 3.8Å; W320-V340 HydrophobicContact CZ3-CG2 4.16Å | ||
| 321 | G | 89.1 | Confident | 92.9 | Very high | 17 Ų | 17 | 50.5 Ų | 50.5 | 18% | 0.175 | 26% | 0.26 | C | S | . | . | trans | -109.3 | 172 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D319 D323 C324 | D319-G321 PolarHBondContact O-N 2.71Å; G321-D323 PolarHBondContact O-N 3.44Å; G321-C324 PolarHBondContact N-SG 3.16Å; G321-C324 VanDerWaalsContact O-CB 3.32Å; G321-C324 WeakPolarHBondContact O-CB 3.49Å; G321-C324 PolarHBondContact O-N 2.76Å; G321-C324 VanDerWaalsContact O-N 3.1Å | ||
| 322 | P | 88 | Confident | 92.6 | Very high | 145 Ų | 145 | 48.9 Ų | 48.9 | 94% | 0.942 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -17.5 | 173.3 | 29.4 | -35.3 | 0 | 0 | 0 | 113.2 | C324 | P322-C324 VanDerWaalsContact C-N 3.34Š|
| 323 | D | 91.5 | Very high | 92.2 | Very high | 59 Ų | 59 | 54 Ų | 54 | 32% | 0.316 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -14.2 | 173 | 64.7 | -21.3 | 0 | 0 | 0 | 112.7 | I291 R317 G321 | I291-D323 WeakPolarHBondContact CB-O 3.41Å; I291-D323 HydrophobicContact CD1-CB 4.11Å; I291-D323 VanDerWaalsContact CD1-O 3.3Å; I291-D323 WeakPolarHBondContact CD1-O 3.45Å; R317-D323 IonicContact CZ-OD2 3.49Å; R317-D323 IonicContact NE-OD2 2.68Å; R317-D323 PolarHBondContact NE-OD2 2.99Å; R317-D323 IonicContact NH2-OD2 3.16Å; R317-D323 PolarHBondContact NH2-OD2 3.2Å; G321-D323 PolarHBondContact O-N 3.44Å |
| 324 | C | 92.7 | Very high | 91.8 | Very high | 9 Ų | 9 | 54.2 Ų | 54.2 | 6% | 0.061 | 28% | 0.284 | C | S | . | . | trans | -77 | 132.4 | -177.3 | -63.8 | 0 | 0 | 0 | 0 | 111.1 | W320 G321 P322 | W320-C324 HydrophobicContact CD2-CB 3.83Å; W320-C324 HydrophobicContact CE3-CB 3.49Å; W320-C324 VanDerWaalsContact CE3-CB 3.49Å; W320-C324 HydrophobicContact CH2-CB 3.85Å; W320-C324 VanDerWaalsContact CH2-O 3.27Å; W320-C324 WeakPolarHBondContact CH2-O 3.11Å; W320-C324 HydrophobicContact CZ2-CB 4.16Å; W320-C324 WeakPolarHBondContact CZ2-O 3.4Å; W320-C324 HydrophobicContact CZ3-CB 3.51Å; G321-C324 PolarHBondContact N-SG 3.16Å; G321-C324 VanDerWaalsContact O-CB 3.32Å; G321-C324 WeakPolarHBondContact O-CB 3.49Å; G321-C324 PolarHBondContact O-N 2.76Å; G321-C324 VanDerWaalsContact O-N 3.1Å; P322-C324 VanDerWaalsContact C-N 3.34Å | ||
| 325 | T | 93.8 | Very high | 91.3 | Very high | 49 Ų | 49 | 58.5 Ų | 58.5 | 30% | 0.301 | 31% | 0.311 | S | S | . | . | trans | -104 | -36.3 | -176.5 | 59.4 | 0 | 0 | 0 | 0 | 112.2 | I291 I345 | I291-T325 PolarHBondContact N-OG1 3.45Å; I291-T325 PolarHBondContact O-N 2.96Å; I291-T325 PolarHBondContact O-OG1 3.03Å; T325-I345 PolarHBondContact O-N 2.54Å | ||
| 326 | H | 94.7 | Very high | 90.9 | Very high | 15 Ų | 15 | 53.2 Ų | 53.2 | 7% | 0.069 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 130.3 | -173 | -65.9 | 72.5 | 0 | 0 | 0 | 111.3 | V290 I291 L292 T293 I328 I345 W351 | V290-H326 HydrophobicContact CG1-CB 4.2Å; I291-H326 PolarHBondContact O-N 3.23Å; I291-H326 VanDerWaalsContact O-N 3.09Å; L292-H326 WeakPolarHBondContact CA-O 3.08Å; L292-H326 HydrophobicContact CB-CB 4.25Å; L292-H326 WeakPolarHBondContact CB-O 3.38Å; T293-H326 PolarHBondContact N-O 3.11Å; H326-I328 HydrophobicContact CB-CD1 4.44Å; H326-I345 CarbonylContact C-O 3.48Å; H326-I345 VanDerWaalsContact CA-O 3.27Å; H326-I345 WeakPolarHBondContact CA-O 3.38Å; H326-I345 WeakPolarHBondContact NE2-CD1 3.43Å; H326-W351 HydrophobicContact CB-CZ3 4.29Å; H326-W351 AromaticContact CD2-CH2 3.42Å; H326-W351 VanDerWaalsContact CD2-CH2 3.42Å; H326-W351 WeakPolarHBondContact CD2-CH2 3.06Å; H326-W351 AromaticContact CD2-CZ3 3.52Å; H326-W351 AromaticContact CG-CH2 3.98Å; H326-W351 AromaticContact CG-CZ3 3.94Å; H326-W351 AromaticContact NE2-CH2 3.49Å; H326-W351 WeakPolarHBondContact NE2-CH2 3.33Å; H326-W351 AromaticContact NE2-CZ2 3.99Å |
| 327 | L | 95.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 118.5 | 167 | 177.4 | 69.7 | 0 | 0 | 0 | 108.1 | T293 W320 C329 K336 V340 I345 I346 V347 | T293-L327 HydrophobicContact CG2-CD1 4.13Å; W320-L327 HydrophobicContact CE3-CB 4.3Å; W320-L327 HydrophobicContact CZ3-CB 3.96Å; L327-C329 HydrophobicContact CD2-CB 4.35Å; L327-C329 HydrophobicContact CG-CB 4.27Å; L327-K336 HydrophobicContact CD1-CB 4.28Å; L327-K336 HydrophobicContact CD2-CB 4.29Å; L327-V340 HydrophobicContact CB-CG1 4.02Å; L327-V340 HydrophobicContact CB-CG2 4.5Å; L327-V340 HydrophobicContact CD2-CB 3.92Å; L327-V340 HydrophobicContact CD2-CG1 4.3Å; L327-V340 HydrophobicContact CD2-CG2 3.95Å; L327-I345 PolarHBondContact N-O 3.24Å; L327-I346 HydrophobicContact CB-CG1 4.27Å; L327-I346 HydrophobicContact CD2-CD1 4.48Å; L327-I346 HydrophobicContact CD2-CG1 4.32Å; L327-I346 HydrophobicContact CD2-CG2 4.24Å; L327-I346 WeakPolarHBondContact O-CA 3.34Å; L327-V347 PolarHBondContact O-N 3.25Å |
| 328 | I | 95.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 111.5 | 172.6 | -39.8 | -61.1 | 0 | 0 | 0 | 107.2 | L292 T293 L294 S295 Y297 I305 H326 V347 D349 W351 I352 | L292-I328 HydrophobicContact CB-CG1 4.32Å; L292-I328 HydrophobicContact CD1-CG1 4.04Å; L292-I328 HydrophobicContact CD2-CG1 4.4Å; T293-I328 PolarHBondContact O-N 3.07Å; L294-I328 HydrophobicContact CD2-CB 3.5Å; L294-I328 HydrophobicContact CD2-CG1 3.65Å; L294-I328 HydrophobicContact CD2-CG2 4.11Å; S295-I328 PolarHBondContact N-O 3.02Å; Y297-I328 HydrophobicContact CE2-CG2 3.89Å; I305-I328 HydrophobicContact CG2-CG2 4.35Å; H326-I328 HydrophobicContact CB-CD1 4.44Å; I328-V347 CarbonylContact C-O 3.53Å; I328-V347 VanDerWaalsContact CA-O 3.29Å; I328-V347 WeakPolarHBondContact CA-O 3.43Å; I328-V347 HydrophobicContact CD1-CG2 3.51Å; I328-D349 HydrophobicContact CG2-CB 4.21Å; I328-W351 HydrophobicContact CD1-CE3 3.98Å; I328-W351 HydrophobicContact CD1-CZ3 4.15Å; I328-I352 HydrophobicContact CB-CD1 4.44Å; I328-I352 HydrophobicContact CD1-CD1 3.51Å; I328-I352 HydrophobicContact CD1-CG1 4.08Å; I328-I352 HydrophobicContact CG1-CD1 3.51Å; I328-I352 HydrophobicContact CG2-CD1 4.19Å |
| 329 | C | 93.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 127 | -169.1 | -157.6 | 0 | 0 | 0 | 0 | 110.6 | S295 Y297 L327 F331 T334 I346 V347 | S295-C329 WeakPolarHBondContact O-CA 3.49Å; Y297-C329 PolarHBondContact OH-O 3.16Å; L327-C329 HydrophobicContact CD2-CB 4.35Å; L327-C329 HydrophobicContact CG-CB 4.27Å; C329-F331 PolarHBondContact SG-O 2.83Å; C329-T334 PolarHBondContact SG-OG1 3.34Å; C329-I346 HydrophobicContact CB-CG2 3.84Å; C329-V347 PolarHBondContact N-O 2.93Å |
| 330 | A | 92.7 | Very high | 90.4 | Very high | 27 Ų | 27 | 48 Ų | 48 | 22% | 0.223 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -69.9 | -36.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S295 G296 Y297 | S295-A330 PolarHBondContact O-N 3.16Å; G296-A330 WeakPolarHBondContact O-CB 3.11Å; Y297-A330 HydrophobicContact CD1-CB 4Å; Y297-A330 HydrophobicContact CD2-CB 4.21Å; Y297-A330 HydrophobicContact CE1-CB 3.71Å; Y297-A330 HydrophobicContact CE2-CB 3.92Å; Y297-A330 VanDerWaalsContact CE2-N 3.35Å; Y297-A330 HydrophobicContact CG-CB 4.24Å; Y297-A330 WeakPolarHBondContact OH-CA 3.5Å |
| 331 | F | 90.3 | Very high | 90.3 | Very high | 133 Ų | 133 | 51 Ų | 51 | 58% | 0.583 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -135.5 | 147.1 | -175.2 | -49 | -71.3 | 0 | 0 | 0 | 111.2 | C329 T334 | C329-F331 PolarHBondContact SG-O 2.83Å; F331-T334 HydrophobicContact CB-CG2 4.38Å; F331-T334 WeakPolarHBondContact O-CG2 3.28Å |
| 332 | P | 88.4 | Confident | 90.1 | Very high | 68 Ų | 68 | 51.6 Ų | 51.6 | 44% | 0.442 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 158.9 | 169.6 | 29.2 | -34 | 0 | 0 | 0 | 110.9 | T334 F337 V369 | P332-T334 VanDerWaalsContact C-N 3.29Å; P332-T334 PolarHBondContact O-N 2.83Å; P332-F337 HydrophobicContact CB-CE2 4.36Å; P332-F337 HydrophobicContact CB-CZ 4.34Å; P332-V369 HydrophobicContact CB-CG1 4.12Å |
| 333 | N | 86.5 | Confident | 90.1 | Very high | 111 Ų | 111 | 51.4 Ų | 51.4 | 59% | 0.594 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 21.4 | 175.3 | -54.8 | -21.9 | 0 | 0 | 0 | 116.4 | F337 | N333-F337 VanDerWaalsContact N-CD1 3.25Š|
| 334 | T | 85.3 | Confident | 90 | Very high | 21 Ų | 21 | 48.8 Ų | 48.8 | 13% | 0.129 | 27% | 0.265 | C | S | . | . | trans | -64.1 | 157.5 | 164.3 | 64.1 | 0 | 0 | 0 | 0 | 110.9 | S295 C329 F331 P332 K336 F337 N338 | S295-T334 PolarHBondContact OG-OG1 2.89Å; S295-T334 VanDerWaalsContact OG-OG1 3.07Å; C329-T334 PolarHBondContact SG-OG1 3.34Å; F331-T334 HydrophobicContact CB-CG2 4.38Å; F331-T334 WeakPolarHBondContact O-CG2 3.28Å; P332-T334 VanDerWaalsContact C-N 3.29Å; P332-T334 PolarHBondContact O-N 2.83Å; T334-K336 VanDerWaalsContact C-N 3.27Å; T334-K336 PolarHBondContact O-N 2.94Å; T334-F337 WeakPolarHBondContact O-CA 3.44Å; T334-F337 VanDerWaalsContact O-CB 3.25Å; T334-F337 WeakPolarHBondContact O-CB 3.21Å; T334-F337 PolarHBondContact O-N 2.82Å; T334-F337 VanDerWaalsContact OG1-CB 3.3Å; T334-F337 WeakPolarHBondContact OG1-CB 3.41Å; T334-F337 PolarHBondContact OG1-N 2.9Å; T334-F337 VanDerWaalsContact OG1-N 3.16Å; T334-N338 PolarHBondContact O-N 2.77Å | ||
| 335 | P | 85.4 | Confident | 90 | Very high | 95 Ų | 95 | 48.8 Ų | 48.8 | 62% | 0.617 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -52.7 | -43.2 | 177.5 | -28.7 | 35.6 | 0 | 0 | 0 | 113.3 | N338 L339 | P335-N338 PolarHBondContact O-N 2.81Å; P335-L339 PolarHBondContact O-N 3.32Å; P335-L339 VanDerWaalsContact O-N 3.16Å |
| 336 | K | 88.1 | Confident | 90 | Very high | 22 Ų | 22 | 46.5 Ų | 46.5 | 10% | 0.096 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.5 | -36.4 | 172.7 | -71.1 | -175.9 | 174.3 | 177.4 | 0 | 112.4 | T293 Q318 D319 L327 T334 N338 L339 V340 E509 | T293-K336 HydrophobicContact CG2-CD 4.25Å; Q318-K336 PolarHBondContact O-NZ 2.82Å; D319-K336 IonicContact OD1-NZ 3.81Å; L327-K336 HydrophobicContact CD1-CB 4.28Å; L327-K336 HydrophobicContact CD2-CB 4.29Å; T334-K336 VanDerWaalsContact C-N 3.27Å; T334-K336 PolarHBondContact O-N 2.94Å; K336-N338 PolarHBondContact O-N 2.75Å; K336-L339 PolarHBondContact O-N 2.86Å; K336-V340 WeakPolarHBondContact O-CB 3.28Å; K336-V340 WeakPolarHBondContact O-CG2 3.3Å; K336-V340 PolarHBondContact O-N 3.27Å; K336-E509 WeakPolarHBondContact CE-OE1 3.39Å; K336-E509 IonicContact NZ-OE1 3.21Å; K336-E509 PolarHBondContact NZ-OE1 3.43Å; K336-E509 IonicContact NZ-OE2 2.75Å; K336-E509 PolarHBondContact NZ-OE2 2.79Å |
| 337 | F | 90.4 | Very high | 90.1 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.6 | -46.5 | 175.1 | 179 | -82.8 | 0 | 0 | 0 | 111.8 | P332 N333 T334 L339 V340 K341 I346 V369 A372 | P332-F337 HydrophobicContact CB-CE2 4.36Å; P332-F337 HydrophobicContact CB-CZ 4.34Å; N333-F337 VanDerWaalsContact N-CD1 3.25Å; T334-F337 WeakPolarHBondContact O-CA 3.44Å; T334-F337 VanDerWaalsContact O-CB 3.25Å; T334-F337 WeakPolarHBondContact O-CB 3.21Å; T334-F337 PolarHBondContact O-N 2.82Å; T334-F337 VanDerWaalsContact OG1-CB 3.3Å; T334-F337 WeakPolarHBondContact OG1-CB 3.41Å; T334-F337 PolarHBondContact OG1-N 2.9Å; T334-F337 VanDerWaalsContact OG1-N 3.16Å; F337-L339 VanDerWaalsContact C-N 3.34Å; F337-L339 PolarHBondContact O-N 3.07Å; F337-V340 PolarHBondContact O-N 3.18Å; F337-K341 HydrophobicContact CE1-CD 4.27Å; F337-K341 WeakPolarHBondContact O-CB 3.22Å; F337-K341 PolarHBondContact O-N 3.3Å; F337-I346 HydrophobicContact CD2-CB 4.46Å; F337-I346 HydrophobicContact CD2-CD1 3.74Å; F337-I346 HydrophobicContact CD2-CG2 3.57Å; F337-I346 HydrophobicContact CE2-CB 4.35Å; F337-I346 HydrophobicContact CE2-CD1 3.84Å; F337-I346 HydrophobicContact CE2-CG2 3.74Å; F337-I346 HydrophobicContact CG-CD1 4.17Å; F337-I346 HydrophobicContact CZ-CD1 4.38Å; F337-V369 HydrophobicContact CE2-CG1 4.27Å; F337-V369 WeakPolarHBondContact CE2-O 3.32Å; F337-A372 HydrophobicContact CE2-CB 4.24Å; F337-A372 HydrophobicContact CZ-CB 3.83Å |
| 338 | N | 89.7 | Confident | 90.1 | Very high | 95 Ų | 95 | 46.8 Ų | 46.8 | 51% | 0.508 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.2 | -37.9 | 179.8 | -67.6 | -22.3 | 0 | 0 | 0 | 111.6 | T334 P335 K336 V340 | T334-N338 PolarHBondContact O-N 2.77Å; P335-N338 PolarHBondContact O-N 2.81Å; K336-N338 PolarHBondContact O-N 2.75Å; N338-V340 VanDerWaalsContact C-N 3.32Å; N338-V340 PolarHBondContact O-N 2.98Å |
| 339 | L | 87.9 | Confident | 90 | Very high | 94 Ų | 94 | 48.6 Ų | 48.6 | 49% | 0.492 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.8 | -35.8 | 176.1 | -174.3 | 66.9 | 0 | 0 | 0 | 113 | W320 P335 K336 F337 | W320-L339 HydrophobicContact CB-CD2 4.46Å; P335-L339 PolarHBondContact O-N 3.32Å; P335-L339 VanDerWaalsContact O-N 3.16Å; K336-L339 PolarHBondContact O-N 2.86Å; F337-L339 VanDerWaalsContact C-N 3.34Å; F337-L339 PolarHBondContact O-N 3.07Å |
| 340 | V | 89.1 | Confident | 90.1 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -93.4 | -19.6 | -173.5 | 178.3 | 0 | 0 | 0 | 0 | 113.4 | W320 L327 K336 F337 N338 G342 K343 G344 I346 | W320-V340 HydrophobicContact CB-CG2 4.04Å; W320-V340 HydrophobicContact CD2-CB 4.26Å; W320-V340 HydrophobicContact CD2-CG1 4.09Å; W320-V340 HydrophobicContact CD2-CG2 3.18Å; W320-V340 HydrophobicContact CE3-CG1 4.07Å; W320-V340 HydrophobicContact CE3-CG2 3.55Å; W320-V340 HydrophobicContact CG-CG2 3.39Å; W320-V340 HydrophobicContact CH2-CG1 3.54Å; W320-V340 HydrophobicContact CH2-CG2 4.44Å; W320-V340 HydrophobicContact CZ2-CB 4.43Å; W320-V340 HydrophobicContact CZ2-CG1 3.54Å; W320-V340 HydrophobicContact CZ2-CG2 4.16Å; W320-V340 HydrophobicContact CZ3-CG1 3.8Å; W320-V340 HydrophobicContact CZ3-CG2 4.16Å; L327-V340 HydrophobicContact CB-CG1 4.02Å; L327-V340 HydrophobicContact CB-CG2 4.5Å; L327-V340 HydrophobicContact CD2-CB 3.92Å; L327-V340 HydrophobicContact CD2-CG1 4.3Å; L327-V340 HydrophobicContact CD2-CG2 3.95Å; K336-V340 WeakPolarHBondContact O-CB 3.28Å; K336-V340 WeakPolarHBondContact O-CG2 3.3Å; K336-V340 PolarHBondContact O-N 3.27Å; F337-V340 PolarHBondContact O-N 3.18Å; N338-V340 VanDerWaalsContact C-N 3.32Å; N338-V340 PolarHBondContact O-N 2.98Å; V340-G342 PolarHBondContact O-N 3.09Å; V340-G342 VanDerWaalsContact O-N 3.07Å; V340-K343 PolarHBondContact O-N 3.26Å; V340-G344 PolarHBondContact O-N 3.4Å; V340-I346 HydrophobicContact CB-CD1 4.23Å; V340-I346 HydrophobicContact CB-CG1 4.45Å; V340-I346 HydrophobicContact CG1-CD1 4.14Å; V340-I346 HydrophobicContact CG1-CG1 3.89Å |
| 341 | K | 86.8 | Confident | 90.3 | Very high | 106 Ų | 106 | 53.8 Ų | 53.8 | 46% | 0.461 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 116.9 | -178.3 | -172.4 | 179 | 178 | -170.7 | 0 | 110.5 | F337 I346 A372 | F337-K341 HydrophobicContact CE1-CD 4.27Å; F337-K341 WeakPolarHBondContact O-CB 3.22Å; F337-K341 PolarHBondContact O-N 3.3Å; K341-I346 HydrophobicContact CB-CD1 4.49Å; K341-A372 HydrophobicContact CG-CB 3.95Å |
| 342 | G | 85.7 | Confident | 90.5 | Very high | 31 Ų | 31 | 47.5 Ų | 47.5 | 32% | 0.32 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.5 | -17.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | V340 | V340-G342 PolarHBondContact O-N 3.09Å; V340-G342 VanDerWaalsContact O-N 3.07Å |
| 343 | K | 88.3 | Confident | 90.9 | Very high | 141 Ų | 141 | 45.6 Ų | 45.6 | 61% | 0.613 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -30.3 | 178.7 | -60.3 | 178.3 | -174.7 | 168.2 | 0 | 113 | V340 | V340-K343 PolarHBondContact O-N 3.26Š|
| 344 | G | 88.3 | Confident | 91.3 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -142 | 173.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V340 | V340-G344 PolarHBondContact O-N 3.4Š|
| 345 | I | 93.5 | Very high | 91.8 | Very high | 10 Ų | 10 | 42.8 Ų | 42.8 | 5% | 0.051 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 119.9 | 176.7 | -61.4 | 159.9 | 0 | 0 | 0 | 108.5 | T325 H326 L327 V347 W364 P375 T378 | T325-I345 PolarHBondContact O-N 2.54Å; H326-I345 CarbonylContact C-O 3.48Å; H326-I345 VanDerWaalsContact CA-O 3.27Å; H326-I345 WeakPolarHBondContact CA-O 3.38Å; H326-I345 WeakPolarHBondContact NE2-CD1 3.43Å; L327-I345 PolarHBondContact N-O 3.24Å; I345-V347 HydrophobicContact CG2-CG1 3.81Å; I345-W364 HydrophobicContact CG1-CZ2 4.43Å; I345-W364 HydrophobicContact CG2-CB 4.38Å; I345-W364 HydrophobicContact CG2-CD2 3.58Å; I345-W364 HydrophobicContact CG2-CE3 3.58Å; I345-W364 HydrophobicContact CG2-CG 3.95Å; I345-W364 HydrophobicContact CG2-CZ3 4.14Å; I345-P375 HydrophobicContact CG1-CG 4.29Å; I345-T378 HydrophobicContact CD1-CG2 3.47Å; I345-T378 VanDerWaalsContact CD1-CG2 3.47Å; I345-T378 HydrophobicContact CG1-CG2 4.1Å |
| 346 | I | 94.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 118.1 | 179.7 | -50.4 | 173.7 | 0 | 0 | 0 | 110 | L327 C329 F337 V340 K341 R368 V369 A372 | L327-I346 HydrophobicContact CB-CG1 4.27Å; L327-I346 HydrophobicContact CD2-CD1 4.48Å; L327-I346 HydrophobicContact CD2-CG1 4.32Å; L327-I346 HydrophobicContact CD2-CG2 4.24Å; L327-I346 WeakPolarHBondContact O-CA 3.34Å; C329-I346 HydrophobicContact CB-CG2 3.84Å; F337-I346 HydrophobicContact CD2-CB 4.46Å; F337-I346 HydrophobicContact CD2-CD1 3.74Å; F337-I346 HydrophobicContact CD2-CG2 3.57Å; F337-I346 HydrophobicContact CE2-CB 4.35Å; F337-I346 HydrophobicContact CE2-CD1 3.84Å; F337-I346 HydrophobicContact CE2-CG2 3.74Å; F337-I346 HydrophobicContact CG-CD1 4.17Å; F337-I346 HydrophobicContact CZ-CD1 4.38Å; V340-I346 HydrophobicContact CB-CD1 4.23Å; V340-I346 HydrophobicContact CB-CG1 4.45Å; V340-I346 HydrophobicContact CG1-CD1 4.14Å; V340-I346 HydrophobicContact CG1-CG1 3.89Å; K341-I346 HydrophobicContact CB-CD1 4.49Å; I346-R368 WeakPolarHBondContact O-CA 3.33Å; I346-V369 HydrophobicContact CG2-CB 4.25Å; I346-V369 PolarHBondContact O-N 2.89Å; I346-A372 HydrophobicContact CD1-CB 3.84Å |
| 347 | V | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 163.8 | -173.9 | -67.7 | 0 | 0 | 0 | 0 | 111.5 | L327 I328 C329 I345 W351 W364 F367 | L327-V347 PolarHBondContact O-N 3.25Å; I328-V347 CarbonylContact C-O 3.53Å; I328-V347 VanDerWaalsContact CA-O 3.29Å; I328-V347 WeakPolarHBondContact CA-O 3.43Å; I328-V347 HydrophobicContact CD1-CG2 3.51Å; C329-V347 PolarHBondContact N-O 2.93Å; I345-V347 HydrophobicContact CG2-CG1 3.81Å; V347-W351 HydrophobicContact CB-CB 4.35Å; V347-W351 HydrophobicContact CG2-CB 4.38Å; V347-W351 HydrophobicContact CG2-CD2 4.21Å; V347-W351 HydrophobicContact CG2-CE3 3.65Å; V347-W351 HydrophobicContact CG2-CZ3 4.3Å; V347-W364 HydrophobicContact CG1-CB 3.92Å; V347-W364 HydrophobicContact CG1-CE3 4.39Å; V347-F367 CarbonylContact C-O 3.56Å; V347-F367 WeakPolarHBondContact CA-O 3.34Å; V347-F367 HydrophobicContact CB-CB 4.48Å |
| 348 | S | 94.9 | Very high | 92.7 | Very high | 20 Ų | 20 | 49.2 Ų | 49.2 | 14% | 0.14 | 25% | 0.246 | C | C | . | . | trans | -87.2 | 160.7 | 173.4 | 54.5 | 0 | 0 | 0 | 0 | 111.6 | K350 W351 F367 | S348-K350 PolarHBondContact O-N 3.25Å; S348-K350 VanDerWaalsContact O-N 3.15Å; S348-W351 WeakPolarHBondContact O-CB 3.38Å; S348-W351 PolarHBondContact O-N 3.33Å; S348-F367 PolarHBondContact N-O 2.9Å; S348-F367 PolarHBondContact OG-O 2.89Å | ||
| 349 | D | 95 | Very high | 92.7 | Very high | 38 Ų | 38 | 49.7 Ų | 49.7 | 20% | 0.203 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -54.3 | -26.8 | 173.2 | 61.9 | -55.6 | 0 | 0 | 0 | 114.1 | Y297 I305 I328 W351 I352 T353 | Y297-D349 HydrophobicContact CE1-CB 3.77Å; Y297-D349 HydrophobicContact CE2-CB 4.43Å; Y297-D349 VanDerWaalsContact OH-CB 3.23Å; Y297-D349 WeakPolarHBondContact OH-CB 3.46Å; Y297-D349 VanDerWaalsContact OH-CG 3.28Å; Y297-D349 PolarHBondContact OH-N 2.96Å; Y297-D349 PolarHBondContact OH-OD1 3.02Å; I305-D349 HydrophobicContact CD1-CB 3.45Å; I305-D349 VanDerWaalsContact CD1-CB 3.45Å; I305-D349 HydrophobicContact CG1-CB 3.93Å; I328-D349 HydrophobicContact CG2-CB 4.21Å; D349-W351 PolarHBondContact O-N 3.38Å; D349-W351 VanDerWaalsContact O-N 3.16Å; D349-I352 PolarHBondContact O-N 3.36Å; D349-I352 VanDerWaalsContact O-N 3.11Å; D349-T353 PolarHBondContact O-N 3.03Å; D349-T353 PolarHBondContact O-OG1 3.09Å |
| 350 | K | 95.9 | Very high | 92.9 | Very high | 136 Ų | 136 | 47.8 Ų | 47.8 | 59% | 0.591 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -53.7 | -33 | 173.3 | -65.9 | -175.1 | -179.9 | -178.6 | 0 | 112.1 | S348 T353 Q354 F367 | S348-K350 PolarHBondContact O-N 3.25Å; S348-K350 VanDerWaalsContact O-N 3.15Å; K350-T353 PolarHBondContact O-N 2.78Å; K350-Q354 WeakPolarHBondContact O-CB 3.24Å; K350-Q354 PolarHBondContact O-N 2.89Å; K350-F367 HydrophobicContact CB-CD1 3.67Å; K350-F367 HydrophobicContact CB-CE1 4Å |
| 351 | W | 95.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.7 | -49.5 | 176.5 | 178.9 | 55.5 | 0 | 0 | 0 | 112.4 | L287 V290 H326 I328 V347 S348 D349 T353 Q354 C355 V362 W364 F367 | L287-W351 HydrophobicContact CD2-CH2 4.27Å; L287-W351 HydrophobicContact CD2-CZ2 4.13Å; V290-W351 HydrophobicContact CG1-CH2 4.13Å; V290-W351 HydrophobicContact CG1-CZ3 4.35Å; V290-W351 HydrophobicContact CG2-CH2 4.13Å; H326-W351 HydrophobicContact CB-CZ3 4.29Å; H326-W351 AromaticContact CD2-CH2 3.42Å; H326-W351 VanDerWaalsContact CD2-CH2 3.42Å; H326-W351 WeakPolarHBondContact CD2-CH2 3.06Å; H326-W351 AromaticContact CD2-CZ3 3.52Å; H326-W351 AromaticContact CG-CH2 3.98Å; H326-W351 AromaticContact CG-CZ3 3.94Å; H326-W351 AromaticContact NE2-CH2 3.49Å; H326-W351 WeakPolarHBondContact NE2-CH2 3.33Å; H326-W351 AromaticContact NE2-CZ2 3.99Å; I328-W351 HydrophobicContact CD1-CE3 3.98Å; I328-W351 HydrophobicContact CD1-CZ3 4.15Å; V347-W351 HydrophobicContact CB-CB 4.35Å; V347-W351 HydrophobicContact CG2-CB 4.38Å; V347-W351 HydrophobicContact CG2-CD2 4.21Å; V347-W351 HydrophobicContact CG2-CE3 3.65Å; V347-W351 HydrophobicContact CG2-CZ3 4.3Å; S348-W351 WeakPolarHBondContact O-CB 3.38Å; S348-W351 PolarHBondContact O-N 3.33Å; D349-W351 PolarHBondContact O-N 3.38Å; D349-W351 VanDerWaalsContact O-N 3.16Å; W351-T353 VanDerWaalsContact C-N 3.29Å; W351-T353 PolarHBondContact O-N 2.84Å; W351-Q354 PolarHBondContact O-N 2.88Å; W351-C355 PolarHBondContact O-N 2.82Å; W351-C355 PolarHBondContact O-SG 2.98Å; W351-V362 PolarHBondContact NE1-O 2.8Å; W351-W364 HydrophobicContact CD2-CB 4.4Å; W351-W364 HydrophobicContact CZ2-CB 4.31Å; W351-F367 HydrophobicContact CB-CB 3.67Å; W351-F367 HydrophobicContact CB-CD1 4.36Å; W351-F367 HydrophobicContact CB-CD2 3.91Å; W351-F367 HydrophobicContact CB-CG 3.72Å; W351-F367 AromaticContact CD1-CD2 3.59Å; W351-F367 HydrophobicContact CG-CB 4.42Å; W351-F367 HydrophobicContact CG-CD2 4.11Å; W351-F367 HydrophobicContact CG-CG 4.39Å |
| 352 | I | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.7 | -41.1 | 177.4 | -69.3 | 169.8 | 0 | 0 | 0 | 109.8 | L292 I305 K308 A309 I328 D349 Q354 C355 Y356 | L292-I352 HydrophobicContact CD2-CD1 3.81Å; I305-I352 HydrophobicContact CG2-CB 4.46Å; I305-I352 HydrophobicContact CG2-CD1 3.54Å; I305-I352 HydrophobicContact CG2-CG2 4.43Å; K308-I352 HydrophobicContact CB-CG2 3.86Å; A309-I352 HydrophobicContact CB-CD1 4.13Å; A309-I352 HydrophobicContact CB-CG2 4.16Å; I328-I352 HydrophobicContact CB-CD1 4.44Å; I328-I352 HydrophobicContact CD1-CD1 3.51Å; I328-I352 HydrophobicContact CD1-CG1 4.08Å; I328-I352 HydrophobicContact CG1-CD1 3.51Å; I328-I352 HydrophobicContact CG2-CD1 4.19Å; D349-I352 PolarHBondContact O-N 3.36Å; D349-I352 VanDerWaalsContact O-N 3.11Å; I352-Q354 PolarHBondContact O-N 3.07Å; I352-C355 PolarHBondContact O-N 2.84Å; I352-Y356 VanDerWaalsContact O-CB 3.26Å; I352-Y356 WeakPolarHBondContact O-CB 3.21Å; I352-Y356 PolarHBondContact O-N 3.42Å |
| 353 | T | 95.5 | Very high | 93.4 | Very high | 29 Ų | 29 | 51.4 Ų | 51.4 | 18% | 0.178 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 177.6 | -59.2 | 0 | 0 | 0 | 0 | 111.3 | D349 K350 W351 Y356 E357 | D349-T353 PolarHBondContact O-N 3.03Å; D349-T353 PolarHBondContact O-OG1 3.09Å; K350-T353 PolarHBondContact O-N 2.78Å; W351-T353 VanDerWaalsContact C-N 3.29Å; W351-T353 PolarHBondContact O-N 2.84Å; T353-Y356 WeakPolarHBondContact O-CB 3.45Å; T353-Y356 PolarHBondContact O-N 3.16Å; T353-Y356 VanDerWaalsContact O-N 3.16Å; T353-E357 WeakPolarHBondContact CG2-OE1 3.16Å; T353-E357 WeakPolarHBondContact O-CG 3.31Å; T353-E357 PolarHBondContact O-N 2.83Å |
| 354 | Q | 94.8 | Very high | 93.6 | Very high | 73 Ų | 73 | 46 Ų | 46 | 34% | 0.341 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66 | -40.2 | 175.9 | -163.1 | 72.6 | 23.8 | 0 | 0 | 112.6 | K350 W351 I352 Y356 E357 T358 V362 F367 | K350-Q354 WeakPolarHBondContact O-CB 3.24Å; K350-Q354 PolarHBondContact O-N 2.89Å; W351-Q354 PolarHBondContact O-N 2.88Å; I352-Q354 PolarHBondContact O-N 3.07Å; Q354-Y356 PolarHBondContact O-N 3.31Å; Q354-E357 PolarHBondContact O-N 2.88Å; Q354-T358 HydrophobicContact CG-CG2 4.46Å; Q354-T358 WeakPolarHBondContact O-CB 3.31Å; Q354-T358 WeakPolarHBondContact O-CG2 3.41Å; Q354-T358 PolarHBondContact O-N 3.29Å; Q354-T358 PolarHBondContact O-OG1 2.73Å; Q354-V362 HydrophobicContact CB-CG2 4.45Å; Q354-V362 HydrophobicContact CG-CB 4.48Å; Q354-V362 HydrophobicContact CG-CG1 4.1Å; Q354-V362 HydrophobicContact CG-CG2 4Å; Q354-F367 HydrophobicContact CB-CE1 4.36Å; Q354-F367 HydrophobicContact CB-CZ 3.84Å; Q354-F367 HydrophobicContact CG-CZ 3.97Å |
| 355 | C | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.2 | -34.3 | 173.9 | -65.2 | 0 | 0 | 0 | 0 | 111.3 | L287 L312 W351 I352 K359 S360 V362 | L287-C355 HydrophobicContact CD1-CB 4.11Å; L312-C355 HydrophobicContact CD1-CB 3.76Å; W351-C355 PolarHBondContact O-N 2.82Å; W351-C355 PolarHBondContact O-SG 2.98Å; I352-C355 PolarHBondContact O-N 2.84Å; C355-K359 VanDerWaalsContact O-CA 3.23Å; C355-K359 WeakPolarHBondContact O-CA 3.38Å; C355-K359 PolarHBondContact O-N 3.29Å; C355-S360 WeakPolarHBondContact CA-O 3.39Å; C355-S360 WeakPolarHBondContact CB-O 3.44Å; C355-S360 PolarHBondContact O-N 2.92Å; C355-V362 PolarHBondContact SG-N 2.86Å; C355-V362 VanDerWaalsContact SG-N 3.45Å |
| 356 | Y | 94.8 | Very high | 93.5 | Very high | 66 Ų | 66 | 56.6 Ų | 56.6 | 26% | 0.259 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -72.1 | -40.7 | 178.3 | -173.5 | -92.3 | 0 | 0 | 0 | 112.3 | K308 E311 L312 I352 T353 Q354 K359 | K308-Y356 HydrophobicContact CB-CD2 3.78Å; K308-Y356 HydrophobicContact CB-CE2 4.31Å; K308-Y356 HydrophobicContact CB-CG 4.18Å; K308-Y356 HydrophobicContact CD-CD1 4.37Å; K308-Y356 HydrophobicContact CD-CD2 4.48Å; K308-Y356 HydrophobicContact CD-CG 4.16Å; K308-Y356 HydrophobicContact CG-CD1 4.3Å; K308-Y356 HydrophobicContact CG-CD2 3.73Å; K308-Y356 HydrophobicContact CG-CE2 3.98Å; K308-Y356 HydrophobicContact CG-CG 3.89Å; E311-Y356 HydrophobicContact CB-CE2 4.39Å; E311-Y356 HydrophobicContact CG-CE2 4.45Å; E311-Y356 WeakPolarHBondContact OE1-CE2 3.4Å; E311-Y356 WeakPolarHBondContact OE2-CE2 3.49Å; E311-Y356 PolarHBondContact OE2-OH 3.16Å; L312-Y356 HydrophobicContact CD1-CD2 4.4Å; L312-Y356 HydrophobicContact CG-CD2 4.24Å; I352-Y356 VanDerWaalsContact O-CB 3.26Å; I352-Y356 WeakPolarHBondContact O-CB 3.21Å; I352-Y356 PolarHBondContact O-N 3.42Å; T353-Y356 WeakPolarHBondContact O-CB 3.45Å; T353-Y356 PolarHBondContact O-N 3.16Å; T353-Y356 VanDerWaalsContact O-N 3.16Å; Q354-Y356 PolarHBondContact O-N 3.31Å; Y356-K359 VanDerWaalsContact CZ-NZ 3.31Å; Y356-K359 WeakPolarHBondContact O-CD 3.28Å; Y356-K359 WeakPolarHBondContact O-CE 3.49Å |
| 357 | E | 94.9 | Very high | 93.4 | Very high | 125 Ų | 125 | 58.2 Ų | 58.2 | 58% | 0.584 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -68.4 | -44.1 | 176.6 | -73.2 | 172.3 | -169 | 0 | 0 | 112.1 | T353 Q354 K359 | T353-E357 WeakPolarHBondContact CG2-OE1 3.16Å; T353-E357 WeakPolarHBondContact O-CG 3.31Å; T353-E357 PolarHBondContact O-N 2.83Å; Q354-E357 PolarHBondContact O-N 2.88Å; E357-K359 VanDerWaalsContact C-N 3.32Å |
| 358 | T | 93 | Very high | 93.3 | Very high | 64 Ų | 64 | 62 Ų | 62 | 39% | 0.393 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -82.2 | -10.6 | 179.6 | 61.1 | 0 | 0 | 0 | 0 | 113.5 | Q354 S360 V362 | Q354-T358 HydrophobicContact CG-CG2 4.46Å; Q354-T358 WeakPolarHBondContact O-CB 3.31Å; Q354-T358 WeakPolarHBondContact O-CG2 3.41Å; Q354-T358 PolarHBondContact O-N 3.29Å; Q354-T358 PolarHBondContact O-OG1 2.73Å; T358-S360 WeakPolarHBondContact CB-OG 3.5Å; T358-S360 PolarHBondContact O-N 3.02Å; T358-S360 VanDerWaalsContact O-N 3.09Å; T358-S360 PolarHBondContact OG1-OG 3.27Å; T358-V362 HydrophobicContact CG2-CG2 4.26Å; T358-V362 VanDerWaalsContact OG1-CG2 3.24Å; T358-V362 WeakPolarHBondContact OG1-CG2 3.18Å |
| 359 | K | 91.6 | Very high | 92.9 | Very high | 106 Ų | 106 | 61.7 Ų | 61.7 | 46% | 0.461 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 31.7 | -171 | -60 | -67.9 | -179.6 | -176.8 | 0 | 113 | E311 L312 C355 Y356 E357 | E311-K359 IonicContact OE1-NZ 2.89Å; E311-K359 PolarHBondContact OE1-NZ 2.75Å; L312-K359 HydrophobicContact CD2-CD 4.29Å; C355-K359 VanDerWaalsContact O-CA 3.23Å; C355-K359 WeakPolarHBondContact O-CA 3.38Å; C355-K359 PolarHBondContact O-N 3.29Å; Y356-K359 VanDerWaalsContact CZ-NZ 3.31Å; Y356-K359 WeakPolarHBondContact O-CD 3.28Å; Y356-K359 WeakPolarHBondContact O-CE 3.49Å; E357-K359 VanDerWaalsContact C-N 3.32Å |
| 360 | S | 90 | Very high | 92.5 | Very high | 53 Ų | 53 | 61.8 Ų | 61.8 | 37% | 0.371 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -139.8 | 163 | -175.7 | 75.8 | 0 | 0 | 0 | 0 | 111.1 | C355 T358 V362 | C355-S360 WeakPolarHBondContact CA-O 3.39Å; C355-S360 WeakPolarHBondContact CB-O 3.44Å; C355-S360 PolarHBondContact O-N 2.92Å; T358-S360 WeakPolarHBondContact CB-OG 3.5Å; T358-S360 PolarHBondContact O-N 3.02Å; T358-S360 VanDerWaalsContact O-N 3.09Å; T358-S360 PolarHBondContact OG1-OG 3.27Å; S360-V362 PolarHBondContact O-N 2.83Å |
| 361 | N | 90.5 | Very high | 91.7 | Very high | 94 Ų | 94 | 67 Ų | 67 | 50% | 0.503 | 34% | 0.335 | S | S | . | . | trans | -80.2 | 100.6 | 176.6 | -168.3 | -27.8 | 0 | 0 | 0 | 110 | P286 L287 | P286-N361 PolarHBondContact O-ND2 3.41Å; L287-N361 HydrophobicContact CD2-CB 4.25Å | ||
| 362 | V | 90.5 | Very high | 90.5 | Very high | 23 Ų | 23 | 67 Ų | 67 | 14% | 0.139 | 34% | 0.335 | C | S | . | . | trans | -81.4 | 141.4 | -179.5 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | W351 Q354 C355 T358 S360 W364 F367 | W351-V362 PolarHBondContact NE1-O 2.8Å; Q354-V362 HydrophobicContact CB-CG2 4.45Å; Q354-V362 HydrophobicContact CG-CB 4.48Å; Q354-V362 HydrophobicContact CG-CG1 4.1Å; Q354-V362 HydrophobicContact CG-CG2 4Å; C355-V362 PolarHBondContact SG-N 2.86Å; C355-V362 VanDerWaalsContact SG-N 3.45Å; T358-V362 HydrophobicContact CG2-CG2 4.26Å; T358-V362 VanDerWaalsContact OG1-CG2 3.24Å; T358-V362 WeakPolarHBondContact OG1-CG2 3.18Å; S360-V362 PolarHBondContact O-N 2.83Å; V362-W364 PolarHBondContact O-N 2.76Å; V362-F367 HydrophobicContact CG1-CE2 3.91Å; V362-F367 HydrophobicContact CG1-CZ 4.5Å | ||
| 363 | P | 91.6 | Very high | 89.4 | Confident | 96 Ų | 96 | 70.3 Ų | 70.3 | 62% | 0.623 | 36% | 0.357 | S | S | * | . | trans | -55.6 | 125.8 | 175.4 | -26.5 | 35 | 0 | 0 | 0 | 112.7 | R365 | P363-R365 VanDerWaalsContact C-N 3.32Å; P363-R365 PolarHBondContact O-N 3.11Å | ||
| 364 | W | 92 | Very high | 88.1 | Confident | 28 Ų | 28 | 70.7 Ų | 70.7 | 11% | 0.106 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -73.4 | -19.5 | -174.5 | 58.3 | -102 | 0 | 0 | 0 | 114.5 | I345 V347 W351 V362 S366 F367 S374 T378 | I345-W364 HydrophobicContact CG1-CZ2 4.43Å; I345-W364 HydrophobicContact CG2-CB 4.38Å; I345-W364 HydrophobicContact CG2-CD2 3.58Å; I345-W364 HydrophobicContact CG2-CE3 3.58Å; I345-W364 HydrophobicContact CG2-CG 3.95Å; I345-W364 HydrophobicContact CG2-CZ3 4.14Å; V347-W364 HydrophobicContact CG1-CB 3.92Å; V347-W364 HydrophobicContact CG1-CE3 4.39Å; W351-W364 HydrophobicContact CD2-CB 4.4Å; W351-W364 HydrophobicContact CZ2-CB 4.31Å; V362-W364 PolarHBondContact O-N 2.76Å; W364-S366 VanDerWaalsContact C-N 3.31Å; W364-S366 PolarHBondContact O-N 2.89Å; W364-F367 PolarHBondContact O-N 2.93Å; W364-S374 WeakPolarHBondContact CH2-OG 3.46Å; W364-T378 HydrophobicContact CZ2-CG2 3.82Å |
| 365 | R | 91 | Very high | 86.9 | Confident | 140 Ų | 140 | 68.3 Ų | 68.3 | 53% | 0.528 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -59.2 | -36.1 | -169.7 | -70.4 | -179.7 | -179.2 | -87.7 | 0.8 | 113.8 | P363 F367 | P363-R365 VanDerWaalsContact C-N 3.32Å; P363-R365 PolarHBondContact O-N 3.11Å; R365-F367 PolarHBondContact O-N 2.89Å |
| 366 | S | 90.6 | Very high | 85 | Confident | 96 Ų | 96 | 74 Ų | 74 | 67% | 0.671 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -71.1 | -13.8 | 178.2 | 48.7 | 0 | 0 | 0 | 0 | 113.8 | W364 | W364-S366 VanDerWaalsContact C-N 3.31Å; W364-S366 PolarHBondContact O-N 2.89Å |
| 367 | F | 92.4 | Very high | 83 | Confident | 34 Ų | 34 | 77.8 Ų | 77.8 | 15% | 0.149 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -111.1 | 9.4 | -175.8 | -55.8 | -80.6 | 0 | 0 | 0 | 113 | V347 S348 K350 W351 Q354 V362 W364 R365 | V347-F367 CarbonylContact C-O 3.56Å; V347-F367 WeakPolarHBondContact CA-O 3.34Å; V347-F367 HydrophobicContact CB-CB 4.48Å; S348-F367 PolarHBondContact N-O 2.9Å; S348-F367 PolarHBondContact OG-O 2.89Å; K350-F367 HydrophobicContact CB-CD1 3.67Å; K350-F367 HydrophobicContact CB-CE1 4Å; W351-F367 HydrophobicContact CB-CB 3.67Å; W351-F367 HydrophobicContact CB-CD1 4.36Å; W351-F367 HydrophobicContact CB-CD2 3.91Å; W351-F367 HydrophobicContact CB-CG 3.72Å; W351-F367 AromaticContact CD1-CD2 3.59Å; W351-F367 HydrophobicContact CG-CB 4.42Å; W351-F367 HydrophobicContact CG-CD2 4.11Å; W351-F367 HydrophobicContact CG-CG 4.39Å; Q354-F367 HydrophobicContact CB-CE1 4.36Å; Q354-F367 HydrophobicContact CB-CZ 3.84Å; Q354-F367 HydrophobicContact CG-CZ 3.97Å; V362-F367 HydrophobicContact CG1-CE2 3.91Å; V362-F367 HydrophobicContact CG1-CZ 4.5Å; W364-F367 PolarHBondContact O-N 2.93Å; R365-F367 PolarHBondContact O-N 2.89Å |
| 368 | R | 92.1 | Very high | 81 | Confident | 79 Ų | 79 | 72.9 Ų | 72.9 | 30% | 0.298 | 39% | 0.391 | S | S | . | . | B | Isolated β-bridge | trans | -59.2 | 136.3 | -179.9 | 170.2 | 173.2 | -87 | -140.6 | -29.1 | 111.3 | I346 A372 S374 | I346-R368 WeakPolarHBondContact O-CA 3.33Å; R368-A372 PolarHBondContact NH1-O 2.79Å; R368-A372 PolarHBondContact NH2-O 2.92Å; R368-S374 PolarHBondContact NH1-OG 2.68Å; R368-S374 PolarHBondContact NH2-OG 2.86Å |
| 369 | V | 87.8 | Confident | 78.8 | Confident | 15 Ų | 15 | 74.2 Ų | 74.2 | 9% | 0.091 | 40% | 0.399 | C | S | . | . | trans | -99.2 | 125.5 | 176.9 | 176.3 | 0 | 0 | 0 | 0 | 109.5 | P332 F337 I346 | P332-V369 HydrophobicContact CB-CG1 4.12Å; F337-V369 HydrophobicContact CE2-CG1 4.27Å; F337-V369 WeakPolarHBondContact CE2-O 3.32Å; I346-V369 HydrophobicContact CG2-CB 4.25Å; I346-V369 PolarHBondContact O-N 2.89Å | ||
| 370 | G | 85.4 | Confident | 76.2 | Confident | 40 Ų | 40 | 73.9 Ų | 73.9 | 41% | 0.412 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | -167 | 179 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 371 | R | 78.8 | Confident | 74.1 | Confident | 246 Ų | 246 | 78.5 Ų | 78.5 | 93% | 0.928 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 28 | 179.2 | -62.4 | -168.3 | -175.7 | -146.3 | 3.8 | 113.5 | ||
| 372 | A | 72.2 | Confident | 71.7 | Confident | 0 Ų | 0 | 78.2 Ų | 78.2 | 0% | 0 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 127.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111 | F337 K341 I346 R368 | F337-A372 HydrophobicContact CE2-CB 4.24Å; F337-A372 HydrophobicContact CZ-CB 3.83Å; K341-A372 HydrophobicContact CG-CB 3.95Å; I346-A372 HydrophobicContact CD1-CB 3.84Å; R368-A372 PolarHBondContact NH1-O 2.79Å; R368-A372 PolarHBondContact NH2-O 2.92Å |
| 373 | P | 73.4 | Confident | 69.3 | Low | 70 Ų | 70 | 80.6 Ų | 80.6 | 46% | 0.455 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -60 | 145.2 | 174.2 | 22.9 | -30.5 | 0 | 0 | 0 | 110.7 | ||
| 374 | S | 68 | Low | 66.7 | Low | 36 Ų | 36 | 81.1 Ų | 81.1 | 25% | 0.252 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -78.4 | 145.7 | 174 | -46.7 | 0 | 0 | 0 | 0 | 109.3 | W364 R368 | W364-S374 WeakPolarHBondContact CH2-OG 3.46Å; R368-S374 PolarHBondContact NH1-OG 2.68Å; R368-S374 PolarHBondContact NH2-OG 2.86Å |
| 375 | P | 68 | Low | 64.4 | Low | 24 Ų | 24 | 86.7 Ų | 86.7 | 16% | 0.156 | 48% | 0.482 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 139.3 | 168.7 | 19.8 | -26.2 | 0 | 0 | 0 | 110.1 | I345 N377 T378 | I345-P375 HydrophobicContact CG1-CG 4.29Å; P375-N377 PolarHBondContact O-N 3.02Å; P375-T378 PolarHBondContact O-N 3.19Å; P375-T378 PolarHBondContact O-OG1 2.82Å |
| 376 | P | 56.9 | Low | 62.1 | Low | 118 Ų | 118 | 87.1 Ų | 87.1 | 77% | 0.766 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -55.8 | -24.8 | -174.3 | -26.4 | 32.7 | 0 | 0 | 0 | 115.1 | T378 | P376-T378 PolarHBondContact O-N 3.36Š|
| 377 | N | 52.8 | Low | 59.6 | Low | 147 Ų | 147 | 90.7 Ų | 90.7 | 79% | 0.786 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -87 | 8.8 | -172.7 | -84.1 | -13.2 | 0 | 0 | 0 | 116.3 | P375 V379 | P375-N377 PolarHBondContact O-N 3.02Å; N377-V379 PolarHBondContact O-N 2.9Å |
| 378 | T | 52.7 | Low | 56.9 | Low | 21 Ų | 21 | 94.1 Ų | 94.1 | 13% | 0.129 | 53% | 0.529 | C | S | . | . | G | 310 helix | trans | -87.1 | -2.8 | -171 | -20.6 | 0 | 0 | 0 | 0 | 115.3 | I345 W364 P375 P376 | I345-T378 HydrophobicContact CD1-CG2 3.47Å; I345-T378 VanDerWaalsContact CD1-CG2 3.47Å; I345-T378 HydrophobicContact CG1-CG2 4.1Å; W364-T378 HydrophobicContact CZ2-CG2 3.82Å; P375-T378 PolarHBondContact O-N 3.19Å; P375-T378 PolarHBondContact O-OG1 2.82Å; P376-T378 PolarHBondContact O-N 3.36Å |
| 379 | V | 45.9 | Very low | 54.5 | Low | 92 Ų | 92 | 98.1 Ų | 98.1 | 56% | 0.558 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -83.3 | -12.2 | -171.7 | -151 | 0 | 0 | 0 | 0 | 113 | N377 S383 | N377-V379 PolarHBondContact O-N 2.9Å; V379-S383 PolarHBondContact O-OG 3.5Å |
| 380 | T | 38.7 | Very low | 52.1 | Low | 99 Ų | 99 | 104.8 Ų | 104.8 | 61% | 0.607 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -104.6 | -15 | -167.3 | -34.5 | 0 | 0 | 0 | 0 | 114.8 | T384 | T380-T384 PolarHBondContact O-OG1 3.05Š|
| 381 | L | 45.6 | Very low | 49.9 | Very low | 150 Ų | 150 | 109.5 Ų | 109.5 | 79% | 0.785 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -86.6 | -22.7 | -175.4 | -72.6 | 166 | 0 | 0 | 0 | 114.3 | ||
| 382 | S | 39.8 | Very low | 48.2 | Very low | 88 Ų | 88 | 103.9 Ų | 103.9 | 62% | 0.615 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -85.3 | -15.8 | -179.5 | 41.7 | 0 | 0 | 0 | 0 | 114.1 | ||
| 383 | S | 38.9 | Very low | 46.7 | Very low | 73 Ų | 73 | 111.5 Ų | 111.5 | 51% | 0.51 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -94.6 | -21.3 | -168.5 | -42.1 | 0 | 0 | 0 | 0 | 113.2 | V379 | V379-S383 PolarHBondContact O-OG 3.5Š|
| 384 | T | 38.8 | Very low | 45.2 | Very low | 108 Ų | 108 | 114.4 Ų | 114.4 | 66% | 0.663 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -102.5 | -9 | -165.4 | -34.7 | 0 | 0 | 0 | 0 | 114.2 | T380 | T380-T384 PolarHBondContact O-OG1 3.05Š|
| 385 | L | 43.6 | Very low | 44 | Very low | 144 Ų | 144 | 120.2 Ų | 120.2 | 75% | 0.754 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -100.7 | -5.7 | -174.9 | -145 | 69.8 | 0 | 0 | 0 | 115 | ||
| 386 | N | 42.6 | Very low | 42.8 | Very low | 150 Ų | 150 | 123.5 Ų | 123.5 | 80% | 0.802 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -110.9 | 16 | -175.4 | -77.9 | -2.3 | 0 | 0 | 0 | 114.7 | ||
| 387 | Q | 37.3 | Very low | 42.2 | Very low | 171 Ų | 171 | 126.7 Ų | 126.7 | 80% | 0.799 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -110.7 | 29 | -179.5 | -78.9 | -174.9 | 15 | 0 | 0 | 114.1 | ||
| 388 | S | 35.7 | Very low | 41.7 | Very low | 105 Ų | 105 | 124.8 Ų | 124.8 | 73% | 0.734 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -144.6 | 124.1 | 175 | -54 | 0 | 0 | 0 | 0 | 110.5 | ||
| 389 | L | 41.3 | Very low | 41 | Very low | 163 Ų | 163 | 129.4 Ų | 129.4 | 85% | 0.853 | 73% | 0.727 | S | S | * | * | trans | 104.2 | 125.9 | 171.9 | -54.7 | 163 | 0 | 0 | 0 | 115.1 | ||||
| 390 | N | 38.8 | Very low | 40.7 | Very low | 155 Ų | 155 | 133.6 Ų | 133.6 | 83% | 0.829 | 74% | 0.741 | S | S | * | * | trans | 95.2 | 82.8 | 176.2 | -47.9 | -15.5 | 0 | 0 | 0 | 112.6 | ||||
| 391 | D | 38.9 | Very low | 40.9 | Very low | 140 Ų | 140 | 134.5 Ų | 134.5 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | 75.2 | 114.8 | 52.7 | -139.3 | 26.2 | 0 | 0 | 0 | 112.7 | |||||
| 392 | D | 42.8 | Very low | 40.6 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 68% | 0.679 | 75% | 0.753 | S | S | * | * | trans | 61 | 104.6 | 157.2 | -55.9 | -33.3 | 0 | 0 | 0 | 122.1 | ||||
| 393 | N | 40.7 | Very low | 40.6 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 86% | 0.856 | 76% | 0.759 | S | S | * | * | -176.8 | 113.4 | 117.4 | -97.1 | -41.8 | 0 | 0 | 0 | 113.6 | |||||
| 394 | D | 41.6 | Very low | 40.7 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | 56.9 | 117.3 | 129.5 | -111.7 | -1 | 0 | 0 | 0 | 124.7 | |||||
| 395 | E | 42.3 | Very low | 40.7 | Very low | 158 Ų | 158 | 139 Ų | 139 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | 64.1 | 104.2 | 127.9 | -131.5 | 165.1 | 106.4 | 0 | 0 | 121 | |||||
| 396 | S | 43.6 | Very low | 40.5 | Very low | 92 Ų | 92 | 140.4 Ų | 140.4 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | 159.5 | 116.1 | 105.8 | -69.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 397 | Q | 44.4 | Very low | 40.4 | Very low | 185 Ų | 185 | 141.3 Ų | 141.3 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | trans | 42.5 | 133.2 | 137.3 | -49.7 | 179.9 | 11.2 | 0 | 0 | 118.8 | ||||
| 398 | S | 41.6 | Very low | 40.4 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | cis | -177.9 | 159.3 | 4.3 | 42.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 399 | P | 37.5 | Very low | 40.4 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | trans | -110.6 | -179.2 | -168.1 | 36.8 | -24 | 0 | 0 | 0 | 115.2 | ||||
| 400 | E | 40.7 | Very low | 40.4 | Very low | 180 Ų | 180 | 142.4 Ų | 142.4 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | trans | 85.7 | 119.6 | 168.7 | -50.3 | -172.3 | 150.4 | 0 | 0 | 115.4 | ||||
| 401 | S | 41.6 | Very low | 40.3 | Very low | 117 Ų | 117 | 144.8 Ų | 144.8 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | 177.5 | 133.4 | 62.8 | 33.8 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 402 | K | 41.2 | Very low | 40.5 | Very low | 194 Ų | 194 | 146.4 Ų | 146.4 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | 15.7 | 110.6 | 145.1 | -59.3 | 174.2 | -178.5 | 172.6 | 0 | 121.5 | ||||
| 403 | S | 39.5 | Very low | 40.3 | Very low | 106 Ų | 106 | 152.3 Ų | 152.3 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | 60.8 | 165.1 | 122.5 | 75.1 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 404 | P | 41.1 | Very low | 40 | Very low | 110 Ų | 110 | 148.2 Ų | 148.2 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | cis | -141.3 | 174.5 | -50 | 38.7 | -20.1 | 0 | 0 | 0 | 115 | ||||
| 405 | V | 38.2 | Very low | 39.8 | Very low | 104 Ų | 104 | 151.6 Ų | 151.6 | 63% | 0.63 | 80% | 0.797 | S | S | * | * | trans | 81.8 | 114.7 | 154.6 | -164.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 406 | H | 39.8 | Very low | 39.6 | Very low | 173 Ų | 173 | 154 Ų | 154 | 80% | 0.801 | 81% | 0.805 | S | S | * | * | 180 | 94.6 | 118.2 | -101.6 | -82.3 | 0 | 0 | 0 | 109.2 | |||||
| 407 | K | 41.2 | Very low | 39.4 | Very low | 170 Ų | 170 | 158.6 Ų | 158.6 | 74% | 0.739 | 81% | 0.813 | S | S | * | * | 50.7 | 110 | 105.1 | -74 | -176.1 | -179.8 | 173.4 | 0 | 115.9 | |||||
| 408 | T | 36.2 | Very low | 39.2 | Very low | 149 Ų | 149 | 154.6 Ų | 154.6 | 91% | 0.914 | 81% | 0.806 | S | S | * | * | -152.1 | 137.7 | 120.4 | 42.7 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 409 | N | 35.4 | Very low | 39 | Very low | 127 Ų | 127 | 156.9 Ų | 156.9 | 68% | 0.679 | 81% | 0.81 | S | S | * | * | trans | -82.5 | 159.5 | -171.1 | -68.1 | -75.2 | 0 | 0 | 0 | 112.5 | ||||
| 410 | L | 40.8 | Very low | 39.3 | Very low | 185 Ų | 185 | 158.9 Ų | 158.9 | 97% | 0.969 | 81% | 0.814 | S | S | * | * | -152.8 | 128.7 | 125.2 | -96.2 | 156.5 | 0 | 0 | 0 | 109.2 | |||||
| 411 | R | 37.3 | Very low | 39.4 | Very low | 206 Ų | 206 | 155.1 Ų | 155.1 | 78% | 0.777 | 81% | 0.808 | S | S | * | * | trans | -107.5 | 152.9 | -165.6 | -72 | 170.2 | 156 | -178.8 | -6.8 | 111.1 | ||||
| 412 | L | 43.5 | Very low | 39.5 | Very low | 174 Ų | 174 | 156.6 Ų | 156.6 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | trans | -170.1 | 88.5 | 138.7 | -89.9 | 131.4 | 0 | 0 | 0 | 107.2 | ||||
| 413 | R | 37.7 | Very low | 39.7 | Very low | 251 Ų | 251 | 158.9 Ų | 158.9 | 95% | 0.947 | 81% | 0.81 | S | S | * | * | 65.8 | 121.7 | 81.1 | -164.8 | -178.3 | -173.6 | -156.5 | 1.2 | 111.5 | |||||
| 414 | G | 35.6 | Very low | 39.8 | Very low | 74 Ų | 74 | 163.7 Ų | 163.7 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | cis | 154.6 | 147.3 | 11.7 | 0 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 415 | K | 37 | Very low | 39.6 | Very low | 202 Ų | 202 | 164.2 Ų | 164.2 | 88% | 0.878 | 82% | 0.815 | S | S | * | * | cis | -177.1 | 120.6 | 49.6 | -164.7 | 172.4 | -174.5 | 178.6 | 0 | 107.2 | ||||
| 416 | K | 37.7 | Very low | 39.6 | Very low | 208 Ų | 208 | 163.9 Ų | 163.9 | 90% | 0.904 | 82% | 0.823 | S | S | * | * | trans | -103.1 | 130.5 | 167.7 | -169.9 | 174.7 | -176.9 | 174.4 | 0 | 106.6 | ||||
| 417 | K | 39 | Very low | 39.5 | Very low | 189 Ų | 189 | 160.8 Ų | 160.8 | 82% | 0.822 | 82% | 0.821 | S | S | * | * | trans | -118.3 | 122.9 | 164.7 | -106.2 | -171.3 | 173.7 | -171.7 | 0 | 107.5 | ||||
| 418 | S | 40.3 | Very low | 39.4 | Very low | 102 Ų | 102 | 157.5 Ų | 157.5 | 71% | 0.713 | 82% | 0.82 | S | S | * | * | trans | -67.5 | 142.3 | 166.1 | 45.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 419 | D | 38.7 | Very low | 39.7 | Very low | 156 Ų | 156 | 157.4 Ų | 157.4 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | trans | -139 | 113.6 | 136.5 | -114.6 | -19 | 0 | 0 | 0 | 107.6 | ||||
| 420 | D | 42.1 | Very low | 40.1 | Very low | 159 Ų | 159 | 160.4 Ų | 160.4 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | trans | -74.1 | 129.5 | 158.6 | -95.7 | -38.4 | 0 | 0 | 0 | 106.4 | ||||
| 421 | S | 44.1 | Very low | 40.4 | Very low | 102 Ų | 102 | 160.8 Ų | 160.8 | 71% | 0.713 | 82% | 0.82 | S | S | * | * | trans | -148.3 | 109.4 | 159.7 | -46.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 422 | D | 44.3 | Very low | 40.7 | Very low | 148 Ų | 148 | 157.7 Ų | 157.7 | 79% | 0.791 | 82% | 0.819 | S | S | * | * | trans | -43.4 | 132.1 | 167.9 | -75.9 | -48.2 | 0 | 0 | 0 | 112.7 | ||||
| 423 | W | 43.4 | Very low | 40.9 | Very low | 242 Ų | 242 | 157.3 Ų | 157.3 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | trans | -98.1 | 109 | 160.6 | -123.2 | 93.1 | 0 | 0 | 0 | 108.5 | ||||
| 424 | R | 43.5 | Very low | 41.2 | Very low | 207 Ų | 207 | 151.2 Ų | 151.2 | 78% | 0.781 | 80% | 0.804 | S | S | * | * | trans | -113.2 | 137.9 | 167.1 | -71.5 | -175.3 | 174.6 | -158.7 | -0.5 | 108.4 | A426 | R424-A426 PolarHBondContact O-N 3.47Š| ||
| 425 | P | 35.3 | Very low | 41.7 | Very low | 121 Ų | 121 | 155.1 Ų | 155.1 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | trans | -82.9 | 114.8 | 169.5 | 32.6 | -25.9 | 0 | 0 | 0 | 107.9 | ||||
| 426 | A | 39.2 | Very low | 42.2 | Very low | 97 Ų | 97 | 152.9 Ų | 152.9 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | -112.5 | 122.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | R424 | R424-A426 PolarHBondContact O-N 3.47Š| ||
| 427 | S | 37.7 | Very low | 42.6 | Very low | 108 Ų | 108 | 151.9 Ų | 151.9 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | -69.5 | 163.7 | 162.6 | 50 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 428 | S | 38.4 | Very low | 43 | Very low | 101 Ų | 101 | 149.8 Ų | 149.8 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | trans | 84.3 | 126.7 | 160.7 | 75.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 429 | D | 43 | Very low | 43.1 | Very low | 146 Ų | 146 | 152 Ų | 152 | 78% | 0.781 | 81% | 0.805 | S | S | * | * | trans | 140.2 | 91.5 | 142.7 | -65.1 | -4.8 | 0 | 0 | 0 | 107.6 | ||||
| 430 | E | 42.8 | Very low | 43.3 | Very low | 191 Ų | 191 | 147.6 Ų | 147.6 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | 58.4 | 94.8 | 84.7 | -72.8 | -161.9 | -170.3 | 0 | 0 | 114.6 | |||||
| 431 | E | 48 | Very low | 43.1 | Very low | 192 Ų | 192 | 149.2 Ų | 149.2 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | trans | -152.8 | 98.8 | 148.3 | -62.4 | -170.8 | 170.1 | 0 | 0 | 104.4 | ||||
| 432 | D | 43.2 | Very low | 43 | Very low | 141 Ų | 141 | 152.9 Ų | 152.9 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | 53.3 | 93.1 | 80.6 | -144.3 | 18.3 | 0 | 0 | 0 | 112.8 | |||||
| 433 | D | 48.9 | Very low | 42.7 | Very low | 167 Ų | 167 | 154.9 Ų | 154.9 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | trans | -158.6 | 127.2 | 145.6 | -103.2 | -27.1 | 0 | 0 | 0 | 110 | ||||
| 434 | N | 43.1 | Very low | 42.6 | Very low | 123 Ų | 123 | 150.1 Ų | 150.1 | 66% | 0.658 | 81% | 0.805 | S | S | * | * | trans | -72.8 | 149.9 | -176.2 | -61.3 | -79 | 0 | 0 | 0 | 111.5 | ||||
| 435 | D | 45.9 | Very low | 42.4 | Very low | 156 Ų | 156 | 147.5 Ų | 147.5 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | -178.7 | 142.5 | 115.5 | -86.5 | -20.4 | 0 | 0 | 0 | 110.9 | |||||
| 436 | D | 47.8 | Very low | 42.9 | Very low | 155 Ų | 155 | 150 Ų | 150 | 83% | 0.829 | 81% | 0.808 | S | S | * | * | trans | -74.3 | -177 | -165.1 | -67.8 | -64.2 | 0 | 0 | 0 | 116.1 | ||||
| 437 | E | 47 | Very low | 43.3 | Very low | 187 Ų | 187 | 151.1 Ų | 151.1 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | 106.8 | 90.8 | 166.8 | -58.4 | -176.8 | -179.4 | 0 | 0 | 113.5 | ||||
| 438 | D | 45.6 | Very low | 43.8 | Very low | 144 Ų | 144 | 154.6 Ų | 154.6 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | 64.6 | 100 | 65.8 | -157.8 | 33.3 | 0 | 0 | 0 | 113.3 | |||||
| 439 | D | 43.9 | Very low | 44.4 | Very low | 148 Ų | 148 | 156.1 Ų | 156.1 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | 169.4 | 125 | 120.4 | -99.4 | -36 | 0 | 0 | 0 | 110.7 | |||||
| 440 | G | 41.3 | Very low | 44.6 | Very low | 64 Ų | 64 | 156.3 Ų | 156.3 | 66% | 0.66 | 81% | 0.806 | S | S | * | * | trans | -107.3 | 146 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 441 | F | 39.6 | Very low | 44.4 | Very low | 194 Ų | 194 | 150.8 Ų | 150.8 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | trans | -157.4 | 104.9 | 159.5 | -115.1 | -86.7 | 0 | 0 | 0 | 106.9 | ||||
| 442 | Q | 41.7 | Very low | 44.1 | Very low | 178 Ų | 178 | 145.7 Ų | 145.7 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | 57.9 | 116.1 | 85.9 | -99.2 | -176.6 | -5.3 | 0 | 0 | 115.8 | |||||
| 443 | E | 37.8 | Very low | 44.1 | Very low | 191 Ų | 191 | 148.8 Ų | 148.8 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | trans | -60.3 | 143.3 | 168.6 | -60.5 | 168.8 | 151.1 | 0 | 0 | 112.1 | ||||
| 444 | T | 41.9 | Very low | 43.9 | Very low | 142 Ų | 142 | 143.8 Ų | 143.8 | 87% | 0.871 | 80% | 0.797 | S | S | * | * | trans | -154.7 | 131.7 | 146.5 | 40.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 445 | D | 38.9 | Very low | 43.9 | Very low | 151 Ų | 151 | 142.9 Ų | 142.9 | 81% | 0.807 | 80% | 0.8 | S | S | * | * | trans | -69.9 | -175.7 | 173.3 | -66.2 | -57.4 | 0 | 0 | 0 | 113.5 | ||||
| 446 | E | 45.2 | Very low | 44 | Very low | 173 Ų | 173 | 142.4 Ų | 142.4 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | trans | 89.8 | 133.9 | 165 | -53.6 | 176.8 | -172.3 | 0 | 0 | 114.2 | ||||
| 447 | D | 48 | Very low | 44.1 | Very low | 122 Ų | 122 | 144 Ų | 144 | 65% | 0.652 | 80% | 0.8 | S | S | * | * | cis | -175.8 | 159.3 | -1.3 | -105 | -28.2 | 0 | 0 | 0 | 107 | ||||
| 448 | E | 48.7 | Very low | 44.3 | Very low | 181 Ų | 181 | 142 Ų | 142 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | 63.3 | 151.5 | 148.3 | -68.2 | 175.7 | -177.5 | 0 | 0 | 119.7 | ||||
| 449 | D | 50.8 | Low | 44.6 | Very low | 132 Ų | 132 | 141.8 Ų | 141.8 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | cis | -178.4 | 165.2 | -12.6 | 179.5 | 24.7 | 0 | 0 | 0 | 104.7 | ||||
| 450 | N | 45.7 | Very low | 44.9 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | 70.9 | 128.8 | 171.3 | -88.2 | -38.7 | 0 | 0 | 0 | 117.8 | ||||
| 451 | G | 40.6 | Very low | 45 | Very low | 76 Ų | 76 | 142.7 Ų | 142.7 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | cis | 128.4 | 124.8 | 23.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 452 | G | 40.8 | Very low | 45.5 | Very low | 84 Ų | 84 | 141.9 Ų | 141.9 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | trans | 162.1 | 97.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 453 | E | 43.9 | Very low | 46 | Very low | 206 Ų | 206 | 137.5 Ų | 137.5 | 96% | 0.963 | 78% | 0.777 | S | S | * | * | trans | -76.2 | 163.2 | 176 | -61 | 171.8 | 142.3 | 0 | 0 | 113.8 | ||||
| 454 | G | 43.8 | Very low | 46.1 | Very low | 62 Ų | 62 | 133.7 Ų | 133.7 | 64% | 0.639 | 76% | 0.762 | S | S | * | * | trans | 135.8 | 97.8 | 157.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 455 | S | 44.1 | Very low | 46 | Very low | 104 Ų | 104 | 136 Ų | 136 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | 68.3 | 133.8 | 91 | 67.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 456 | D | 46.9 | Very low | 46 | Very low | 147 Ų | 147 | 141 Ų | 141 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | cis | -172.1 | 176.1 | 1.1 | -97.8 | -31.4 | 0 | 0 | 0 | 105.5 | ||||
| 457 | E | 50.8 | Low | 45.8 | Very low | 188 Ų | 188 | 143.4 Ų | 143.4 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | trans | 87.3 | 138.2 | 156.7 | -46.1 | -172.3 | -173.3 | 0 | 0 | 118.1 | ||||
| 458 | D | 51.1 | Low | 45.4 | Very low | 144 Ų | 144 | 147.8 Ų | 147.8 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | cis | -175.3 | 173.7 | -25.4 | -155.9 | -11.3 | 0 | 0 | 0 | 105 | ||||
| 459 | L | 50.8 | Low | 44.9 | Very low | 141 Ų | 141 | 151.1 Ų | 151.1 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | trans | 93.3 | 92.1 | 164.3 | -45.6 | -179.5 | 0 | 0 | 0 | 117.1 | ||||
| 460 | S | 51.3 | Low | 44.2 | Very low | 92 Ų | 92 | 154.6 Ų | 154.6 | 64% | 0.643 | 79% | 0.791 | S | S | * | * | 81.1 | 131.5 | 84.6 | 85.7 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 461 | D | 43.1 | Very low | 44 | Very low | 139 Ų | 139 | 155.3 Ų | 155.3 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | cis | -157.9 | 121.6 | 33.4 | -80.4 | -65.5 | 0 | 0 | 0 | 112.2 | ||||
| 462 | E | 50 | Low | 43.8 | Very low | 176 Ų | 176 | 161 Ų | 161 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | 49.6 | 155.7 | 112.8 | -146.5 | 129 | 163.9 | 0 | 0 | 121.7 | |||||
| 463 | P | 51.7 | Low | 43.7 | Very low | 87 Ų | 87 | 161.2 Ų | 161.2 | 57% | 0.565 | 79% | 0.791 | S | S | * | * | -151.9 | -163 | -65.7 | 47 | -30 | 0 | 0 | 0 | 116.3 | |||||
| 464 | N | 41.1 | Very low | 43.4 | Very low | 111 Ų | 111 | 159 Ų | 159 | 59% | 0.594 | 79% | 0.785 | S | S | * | * | trans | 94.5 | 134.6 | 144.8 | -76.2 | -25.4 | 0 | 0 | 0 | 117.3 | ||||
| 465 | R | 39.2 | Very low | 43.1 | Very low | 191 Ų | 191 | 167.6 Ų | 167.6 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | cis | -167.5 | 124.6 | 7 | -119.3 | 157.1 | -163.3 | -176.4 | 5.3 | 109.2 | ||||
| 466 | R | 37.6 | Very low | 43.1 | Very low | 256 Ų | 256 | 171.5 Ų | 171.5 | 97% | 0.966 | 80% | 0.802 | S | S | * | * | trans | -124.3 | 116.5 | 159.8 | -121.3 | -178.7 | 166.7 | -165.3 | -2.5 | 108.2 | ||||
| 467 | R | 41.5 | Very low | 42.5 | Very low | 222 Ų | 222 | 171.4 Ų | 171.4 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | -93.8 | 115.2 | 178.8 | -81.2 | 179.2 | 165.6 | 171.3 | -3.5 | 110.2 | ||||
| 468 | K | 39.6 | Very low | 42 | Very low | 215 Ų | 215 | 169.2 Ų | 169.2 | 94% | 0.935 | 80% | 0.795 | S | S | * | * | trans | -110.7 | 129.3 | 153.5 | -99.1 | 179.6 | 176.7 | 175.4 | 0 | 107.4 | ||||
| 469 | R | 39.7 | Very low | 41.4 | Very low | 251 Ų | 251 | 171 Ų | 171 | 95% | 0.947 | 80% | 0.799 | S | S | * | * | trans | -107.5 | 121.9 | 167.5 | -87.6 | -176.2 | 158.8 | 175.5 | -6.3 | 109 | ||||
| 470 | K | 36 | Very low | 40.7 | Very low | 205 Ų | 205 | 173.7 Ų | 173.7 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | trans | -89.7 | 141.2 | 163.8 | -90.1 | 177.5 | 171 | 175 | 0 | 109.2 | ||||
| 471 | I | 41.2 | Very low | 39.9 | Very low | 165 Ų | 165 | 180.6 Ų | 180.6 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | trans | -142.3 | 98.4 | 153.5 | -58.7 | 178.7 | 0 | 0 | 0 | 103.8 | ||||
| 472 | K | 36.2 | Very low | 39.5 | Very low | 194 Ų | 194 | 185.3 Ų | 185.3 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | 61.6 | 126 | 80.8 | -90.5 | -168.5 | 177.9 | -178.4 | 0 | 116 | |||||
| 473 | A | 38.3 | Very low | 38.8 | Very low | 90 Ų | 90 | 187.9 Ų | 187.9 | 74% | 0.744 | 83% | 0.826 | S | S | * | * | trans | 72.4 | 136.8 | 160.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 474 | D | 37.1 | Very low | 38.1 | Very low | 159 Ų | 159 | 188.4 Ų | 188.4 | 85% | 0.85 | 83% | 0.832 | S | S | * | * | cis | -154 | 146.6 | 27.6 | -113.4 | -34.5 | 0 | 0 | 0 | 111.5 | ||||
| 475 | R | 37 | Very low | 37.9 | Very low | 242 Ų | 242 | 188.7 Ų | 188.7 | 91% | 0.913 | 84% | 0.838 | S | S | * | * | trans | -103.8 | 107.2 | 178.7 | -166.3 | -179.8 | 178.4 | 179.6 | 0.1 | 107.5 | ||||
| 476 | K | 44.7 | Very low | 37.7 | Very low | 186 Ų | 186 | 186.1 Ų | 186.1 | 81% | 0.809 | 84% | 0.843 | S | S | * | * | trans | -158.2 | 133.2 | 168.3 | -105 | 168 | -170.4 | 175.5 | 0 | 111.2 | ||||
| 477 | N | 35.3 | Very low | 37.7 | Very low | 145 Ų | 145 | 178.6 Ų | 178.6 | 78% | 0.775 | 83% | 0.83 | S | S | * | * | trans | 72.6 | 139 | 158.1 | -79 | -4.5 | 0 | 0 | 0 | 117.4 | ||||
| 478 | L | 39.5 | Very low | 37.4 | Very low | 143 Ų | 143 | 175.6 Ų | 175.6 | 75% | 0.749 | 83% | 0.831 | S | S | * | * | cis | -170.2 | 132 | -0 | 180 | 61.5 | 0 | 0 | 0 | 106.7 | K480 | L478-K480 PolarHBondContact O-N 3.3Š| ||
| 479 | Q | 38.1 | Very low | 37.2 | Very low | 182 Ų | 182 | 169 Ų | 169 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | trans | -56.7 | 117.7 | 160.4 | -68.6 | 166.8 | -34 | 0 | 0 | 110.1 | ||||
| 480 | K | 37.3 | Very low | 37.3 | Very low | 196 Ų | 196 | 162.8 Ų | 162.8 | 85% | 0.852 | 82% | 0.819 | S | S | * | * | trans | 160.7 | 114.5 | 143.6 | -101.3 | 170 | 171.2 | 168.1 | 0 | 109.2 | L478 | L478-K480 PolarHBondContact O-N 3.3Š| ||
| 481 | R | 33.9 | Very low | 37.2 | Very low | 238 Ų | 238 | 160.8 Ų | 160.8 | 90% | 0.898 | 82% | 0.818 | S | S | * | * | 177.6 | 93.8 | 114.2 | -92.9 | 172 | 82 | 156.3 | 4.1 | 109.4 | |||||
| 482 | R | 35 | Very low | 37 | Very low | 238 Ų | 238 | 157.3 Ų | 157.3 | 90% | 0.898 | 81% | 0.814 | S | S | * | * | trans | -78.8 | 151.6 | 150.6 | -66.3 | 176.2 | 77.2 | 167.6 | 3.7 | 107.9 | ||||
| 483 | R | 35.5 | Very low | 37 | Very low | 230 Ų | 230 | 156.4 Ų | 156.4 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | trans | 76.7 | 135 | 172.9 | -60.3 | 176.5 | 163.4 | 165.7 | -5.2 | 114 | ||||
| 484 | S | 37.1 | Very low | 37.1 | Very low | 97 Ų | 97 | 161.3 Ų | 161.3 | 68% | 0.678 | 82% | 0.817 | S | S | * | * | cis | -178 | 169.9 | 2.5 | 37.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 485 | T | 36.7 | Very low | 37 | Very low | 117 Ų | 117 | 160.9 Ų | 160.9 | 72% | 0.718 | 82% | 0.815 | S | S | * | * | trans | 94.2 | 103.8 | 155.8 | 72.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 486 | T | 35.5 | Very low | 37.2 | Very low | 137 Ų | 137 | 154.4 Ų | 154.4 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | 58.4 | 134.9 | 126.8 | 61.7 | 0 | 0 | 0 | 0 | 118 | |||||
| 487 | S | 36.1 | Very low | 37.1 | Very low | 98 Ų | 98 | 150.6 Ų | 150.6 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | cis | -159.2 | 149.7 | 14.2 | 54.5 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 488 | D | 35.9 | Very low | 37.4 | Very low | 159 Ų | 159 | 149.9 Ų | 149.9 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | -163.2 | 119.2 | 57.1 | -88 | -43 | 0 | 0 | 0 | 105.9 | |||||
| 489 | G | 35.3 | Very low | 37.9 | Very low | 78 Ų | 78 | 147.8 Ų | 147.8 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -109.8 | 100.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109 | N491 | G489-N491 PolarHBondContact O-N 3.15Š| ||
| 490 | S | 42.7 | Very low | 39.2 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | trans | -69.1 | 109.5 | 165.2 | 40.2 | 0 | 0 | 0 | 0 | 108.8 | A492 | S490-A492 PolarHBondContact O-N 2.92Å; S490-A492 VanDerWaalsContact O-N 3.13Å | ||
| 491 | N | 32.2 | Very low | 40.6 | Very low | 163 Ų | 163 | 137.2 Ų | 137.2 | 87% | 0.872 | 75% | 0.748 | S | S | * | * | trans | -52.1 | 111.4 | 163.4 | -98 | -18.9 | 0 | 0 | 0 | 109.2 | G489 | G489-N491 PolarHBondContact O-N 3.15Š| ||
| 492 | A | 38 | Very low | 42.2 | Very low | 93 Ų | 93 | 130 Ų | 130 | 77% | 0.769 | 72% | 0.724 | S | S | * | * | trans | -113.2 | 98.3 | 158.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | S490 K494 | S490-A492 PolarHBondContact O-N 2.92Å; S490-A492 VanDerWaalsContact O-N 3.13Å; A492-K494 PolarHBondContact O-N 2.75Å | ||
| 493 | E | 35.3 | Very low | 43.9 | Very low | 174 Ų | 174 | 121.4 Ų | 121.4 | 81% | 0.813 | 70% | 0.696 | S | S | * | * | trans | -47.4 | 120.1 | 175.6 | -69.6 | 168 | 142 | 0 | 0 | 109.9 | N495 | E493-N495 VanDerWaalsContact C-N 3.34Å; E493-N495 PolarHBondContact O-N 2.75Å | ||
| 494 | K | 41.2 | Very low | 45.7 | Very low | 193 Ų | 193 | 111.5 Ų | 111.5 | 84% | 0.839 | 66% | 0.66 | S | S | * | * | trans | -59.8 | 106.3 | 156.3 | -84.1 | 179.2 | 176 | 175.6 | 0 | 105.6 | A492 V496 | A492-K494 PolarHBondContact O-N 2.75Å; K494-V496 HydrophobicContact CB-CG2 4.46Å; K494-V496 PolarHBondContact O-N 2.67Å | ||
| 495 | N | 35.3 | Very low | 47.7 | Very low | 150 Ų | 150 | 109 Ų | 109 | 80% | 0.802 | 64% | 0.638 | S | S | * | * | trans | -60.9 | 79.7 | 155.7 | -89.9 | -16.4 | 0 | 0 | 0 | 107.3 | E493 T497 | E493-N495 VanDerWaalsContact C-N 3.34Å; E493-N495 PolarHBondContact O-N 2.75Å; N495-T497 PolarHBondContact O-N 3.49Å; N495-T497 VanDerWaalsContact O-N 3.12Å | ||
| 496 | V | 41.2 | Very low | 49.5 | Very low | 107 Ų | 107 | 103.9 Ų | 103.9 | 65% | 0.648 | 61% | 0.607 | S | S | * | * | trans | -67.4 | 96.5 | 147.5 | 175.6 | 0 | 0 | 0 | 0 | 102.6 | K494 T498 | K494-V496 HydrophobicContact CB-CG2 4.46Å; K494-V496 PolarHBondContact O-N 2.67Å; V496-T498 PolarHBondContact O-N 3.04Å | ||
| 497 | T | 41.9 | Very low | 51.4 | Low | 106 Ų | 106 | 101.5 Ų | 101.5 | 65% | 0.65 | 59% | 0.589 | S | S | * | * | trans | -53.6 | 105.6 | 159.1 | -11.2 | 0 | 0 | 0 | 0 | 104.1 | N495 N499 | N495-T497 PolarHBondContact O-N 3.49Å; N495-T497 VanDerWaalsContact O-N 3.12Å; T497-N499 PolarHBondContact O-N 2.89Å | ||
| 498 | T | 40.7 | Very low | 53.3 | Low | 129 Ų | 129 | 99.9 Ų | 99.9 | 79% | 0.791 | 57% | 0.573 | S | S | * | * | trans | -66.1 | 72.7 | 168.9 | 46.6 | 0 | 0 | 0 | 0 | 106 | V496 D500 | V496-T498 PolarHBondContact O-N 3.04Å; T498-D500 PolarHBondContact O-N 2.97Å | ||
| 499 | N | 50.7 | Low | 55.1 | Low | 100 Ų | 100 | 93 Ų | 93 | 54% | 0.535 | 54% | 0.536 | S | S | . | . | trans | -67.7 | 128.8 | 164 | -68 | -17.6 | 0 | 0 | 0 | 104.6 | T497 | T497-N499 PolarHBondContact O-N 2.89Š| ||
| 500 | D | 65 | Low | 57 | Low | 87 Ų | 87 | 92 Ų | 92 | 47% | 0.465 | 51% | 0.511 | S | S | . | . | trans | -50.5 | 126.3 | 169.4 | -163.4 | -38.3 | 0 | 0 | 0 | 106.9 | T498 E502 D503 | T498-D500 PolarHBondContact O-N 2.97Å; D500-E502 PolarHBondContact O-N 2.86Å; D500-E502 PolarHBondContact OD1-N 3.23Å; D500-D503 PolarHBondContact O-N 3.2Å | ||
| 501 | P | 67 | Low | 58.6 | Low | 68 Ų | 68 | 91.8 Ų | 91.8 | 44% | 0.442 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -51.6 | -22.5 | -178.7 | 19.1 | -33.3 | 0 | 0 | 0 | 112.8 | Q318 D503 E504 | Q318-P501 PolarHBondContact NE2-O 3Å; P501-D503 VanDerWaalsContact C-N 3.33Å; P501-D503 PolarHBondContact O-N 3.22Å; P501-E504 WeakPolarHBondContact O-CG 3.02Å |
| 502 | E | 67.6 | Low | 60.8 | Low | 88 Ų | 88 | 89.2 Ų | 89.2 | 41% | 0.411 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -70.4 | -22.3 | 175.7 | -57 | -166.2 | 163.1 | 0 | 0 | 115 | R306 Y316 D500 | R306-E502 PolarHBondContact NH1-O 2.75Å; R306-E502 IonicContact NH1-OE2 2.71Å; R306-E502 PolarHBondContact NH1-OE2 2.58Å; Y316-E502 HydrophobicContact CE1-CB 4.37Å; D500-E502 PolarHBondContact O-N 2.86Å; D500-E502 PolarHBondContact OD1-N 3.23Å |
| 503 | D | 70.6 | Confident | 62.3 | Low | 56 Ų | 56 | 88.7 Ų | 88.7 | 30% | 0.299 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -93.4 | 5.6 | -176 | -68.1 | -17.5 | 0 | 0 | 0 | 113.6 | R306 D500 P501 | R306-D503 IonicContact CZ-OD1 2.76Å; R306-D503 IonicContact NH1-OD1 2.92Å; R306-D503 PolarHBondContact NH1-OD1 3.22Å; R306-D503 IonicContact NH2-OD1 3.11Å; R306-D503 PolarHBondContact NH2-OD1 3.17Å; D500-D503 PolarHBondContact O-N 3.2Å; P501-D503 VanDerWaalsContact C-N 3.33Å; P501-D503 PolarHBondContact O-N 3.22Å |
| 504 | E | 72.8 | Confident | 64.1 | Low | 23 Ų | 23 | 86.7 Ų | 86.7 | 11% | 0.107 | 45% | 0.454 | C | S | . | . | trans | -75 | 139.6 | -177.1 | -61.9 | 175.9 | 153.4 | 0 | 0 | 111.5 | R302 P501 R512 | R302-E504 WeakPolarHBondContact CD-O 3.49Å; R302-E504 PolarHBondContact NE-O 3.38Å; P501-E504 WeakPolarHBondContact O-CG 3.02Å; E504-R512 VanDerWaalsContact CD-NH1 3.32Å; E504-R512 IonicContact OE1-CZ 3.54Å; E504-R512 IonicContact OE1-NH1 3.04Å; E504-R512 PolarHBondContact OE1-NH1 3.43Å; E504-R512 IonicContact OE1-NH2 2.89Å; E504-R512 PolarHBondContact OE1-NH2 2.92Å; E504-R512 IonicContact OE2-CZ 3.76Å; E504-R512 IonicContact OE2-NE 3.02Å; E504-R512 PolarHBondContact OE2-NE 2.64Å; E504-R512 IonicContact OE2-NH1 2.89Å; E504-R512 PolarHBondContact OE2-NH1 2.52Å; E504-R512 IonicContact OE2-NH2 2.86Å; E504-R512 PolarHBondContact OE2-NH2 3.23Å | ||
| 505 | N | 80.2 | Confident | 65.6 | Low | 43 Ų | 43 | 81.3 Ų | 81.3 | 23% | 0.23 | 44% | 0.438 | C | S | . | . | trans | -68.4 | 154.7 | 175.5 | -60.8 | -61.3 | 0 | 0 | 0 | 110.2 | N299 D507 D508 E509 | N299-N505 WeakPolarHBondContact CB-OD1 3.44Å; N299-N505 PolarHBondContact N-OD1 3.16Å; N505-D507 PolarHBondContact O-N 3.23Å; N505-D508 VanDerWaalsContact CB-OD2 3.31Å; N505-D508 WeakPolarHBondContact CB-OD2 3.47Å; N505-D508 PolarHBondContact N-OD2 3.33Å; N505-D508 PolarHBondContact ND2-OD2 3.02Å; N505-D508 PolarHBondContact O-N 3.3Å; N505-E509 PolarHBondContact O-N 2.9Å | ||
| 506 | T | 74.9 | Confident | 67.2 | Low | 10 Ų | 10 | 77 Ų | 77 | 6% | 0.061 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -56.7 | -36 | 175.6 | -55.3 | 0 | 0 | 0 | 0 | 112.1 | G296 R302 E509 I510 | G296-T506 PolarHBondContact N-OG1 2.96Å; G296-T506 VanDerWaalsContact N-OG1 3.13Å; R302-T506 PolarHBondContact NH1-OG1 2.9Å; T506-E509 WeakPolarHBondContact O-CB 3.18Å; T506-E509 PolarHBondContact O-N 2.8Å; T506-I510 HydrophobicContact CG2-CD1 3.99Å; T506-I510 HydrophobicContact CG2-CG1 4.46Å; T506-I510 VanDerWaalsContact O-CG1 3.24Å; T506-I510 WeakPolarHBondContact O-CG1 3.47Å; T506-I510 PolarHBondContact O-N 3.26Å |
| 507 | D | 74.7 | Confident | 68.3 | Low | 88 Ų | 88 | 74.9 Ų | 74.9 | 47% | 0.471 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.5 | -37.6 | 178 | -63.8 | -21.4 | 0 | 0 | 0 | 112.1 | N505 I510 Q511 | N505-D507 PolarHBondContact O-N 3.23Å; D507-I510 PolarHBondContact O-N 2.98Å; D507-Q511 WeakPolarHBondContact O-CG 3.19Å; D507-Q511 PolarHBondContact O-N 3.42Å |
| 508 | D | 76.7 | Confident | 69.1 | Low | 64 Ų | 64 | 79.1 Ų | 79.1 | 34% | 0.342 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -69.4 | -38.3 | 176.2 | -58.6 | -41.3 | 0 | 0 | 0 | 111 | N505 Q511 R512 | N505-D508 VanDerWaalsContact CB-OD2 3.31Å; N505-D508 WeakPolarHBondContact CB-OD2 3.47Å; N505-D508 PolarHBondContact N-OD2 3.33Å; N505-D508 PolarHBondContact ND2-OD2 3.02Å; N505-D508 PolarHBondContact O-N 3.3Å; D508-Q511 PolarHBondContact O-N 2.8Å; D508-R512 WeakPolarHBondContact O-CB 3.39Å; D508-R512 PolarHBondContact O-N 3.22Å |
| 509 | E | 72.8 | Confident | 69.8 | Low | 15 Ų | 15 | 79 Ų | 79 | 7% | 0.07 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61.4 | -48.3 | 173.7 | -164.4 | -160.7 | 136.5 | 0 | 0 | 111 | R302 K336 N505 T506 Q511 R512 V513 | R302-E509 IonicContact NH2-OE2 2.75Å; K336-E509 WeakPolarHBondContact CE-OE1 3.39Å; K336-E509 IonicContact NZ-OE1 3.21Å; K336-E509 PolarHBondContact NZ-OE1 3.43Å; K336-E509 IonicContact NZ-OE2 2.75Å; K336-E509 PolarHBondContact NZ-OE2 2.79Å; N505-E509 PolarHBondContact O-N 2.9Å; T506-E509 WeakPolarHBondContact O-CB 3.18Å; T506-E509 PolarHBondContact O-N 2.8Å; E509-Q511 VanDerWaalsContact C-N 3.35Å; E509-Q511 PolarHBondContact O-N 3.42Å; E509-R512 PolarHBondContact O-N 2.76Å; E509-V513 WeakPolarHBondContact O-CG2 3.11Å; E509-V513 PolarHBondContact O-N 2.84Å |
| 510 | I | 76.1 | Confident | 70 | Confident | 56 Ų | 56 | 82.2 Ų | 82.2 | 29% | 0.287 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.2 | -45.1 | 176.6 | -68.4 | 165.5 | 0 | 0 | 0 | 110.4 | T506 D507 R512 V513 M514 | T506-I510 HydrophobicContact CG2-CD1 3.99Å; T506-I510 HydrophobicContact CG2-CG1 4.46Å; T506-I510 VanDerWaalsContact O-CG1 3.24Å; T506-I510 WeakPolarHBondContact O-CG1 3.47Å; T506-I510 PolarHBondContact O-N 3.26Å; D507-I510 PolarHBondContact O-N 2.98Å; I510-R512 VanDerWaalsContact C-N 3.31Å; I510-R512 PolarHBondContact O-N 2.74Å; I510-V513 PolarHBondContact O-N 2.88Å; I510-M514 HydrophobicContact CG2-CE 3.76Å; I510-M514 HydrophobicContact CG2-CG 4.38Å; I510-M514 HydrophobicContact CG2-SD 4.19Å; I510-M514 WeakPolarHBondContact O-CB 3.44Å; I510-M514 WeakPolarHBondContact O-CG 3.4Å; I510-M514 PolarHBondContact O-N 3.27Å |
| 511 | Q | 76.7 | Confident | 69.4 | Low | 115 Ų | 115 | 84.7 Ų | 84.7 | 54% | 0.537 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.7 | -39.4 | 176.6 | -76.9 | -179.1 | 14.5 | 0 | 0 | 112.2 | D507 D508 E509 M514 T515 | D507-Q511 WeakPolarHBondContact O-CG 3.19Å; D507-Q511 PolarHBondContact O-N 3.42Å; D508-Q511 PolarHBondContact O-N 2.8Å; E509-Q511 VanDerWaalsContact C-N 3.35Å; E509-Q511 PolarHBondContact O-N 3.42Å; Q511-M514 PolarHBondContact O-N 2.93Å; Q511-T515 WeakPolarHBondContact O-CB 3.28Å; Q511-T515 WeakPolarHBondContact O-CG2 3.28Å; Q511-T515 PolarHBondContact O-N 2.94Å; Q511-T515 PolarHBondContact O-OG1 3.14Å |
| 512 | R | 76.9 | Confident | 68.4 | Low | 109 Ų | 109 | 85 Ų | 85 | 41% | 0.411 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.3 | -40.9 | 177.8 | -157.3 | -158.4 | -43.9 | -91.8 | -47.3 | 112.2 | E504 D508 E509 I510 T515 S516 | E504-R512 VanDerWaalsContact CD-NH1 3.32Å; E504-R512 IonicContact OE1-CZ 3.54Å; E504-R512 IonicContact OE1-NH1 3.04Å; E504-R512 PolarHBondContact OE1-NH1 3.43Å; E504-R512 IonicContact OE1-NH2 2.89Å; E504-R512 PolarHBondContact OE1-NH2 2.92Å; E504-R512 IonicContact OE2-CZ 3.76Å; E504-R512 IonicContact OE2-NE 3.02Å; E504-R512 PolarHBondContact OE2-NE 2.64Å; E504-R512 IonicContact OE2-NH1 2.89Å; E504-R512 PolarHBondContact OE2-NH1 2.52Å; E504-R512 IonicContact OE2-NH2 2.86Å; E504-R512 PolarHBondContact OE2-NH2 3.23Å; D508-R512 WeakPolarHBondContact O-CB 3.39Å; D508-R512 PolarHBondContact O-N 3.22Å; E509-R512 PolarHBondContact O-N 2.76Å; I510-R512 VanDerWaalsContact C-N 3.31Å; I510-R512 PolarHBondContact O-N 2.74Å; R512-T515 VanDerWaalsContact CA-OG1 3.31Å; R512-T515 WeakPolarHBondContact CA-OG1 3.43Å; R512-T515 PolarHBondContact O-N 3.1Å; R512-T515 PolarHBondContact O-OG1 2.83Å; R512-S516 VanDerWaalsContact O-CB 3.24Å; R512-S516 WeakPolarHBondContact O-CB 3.47Å; R512-S516 PolarHBondContact O-N 2.99Å; R512-S516 PolarHBondContact O-OG 3.42Å |
| 513 | V | 71 | Confident | 67.5 | Low | 82 Ų | 82 | 87.4 Ų | 87.4 | 50% | 0.497 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.5 | -44.9 | 175 | 174.1 | 0 | 0 | 0 | 0 | 110.2 | E509 I510 T515 S516 S517 | E509-V513 WeakPolarHBondContact O-CG2 3.11Å; E509-V513 PolarHBondContact O-N 2.84Å; I510-V513 PolarHBondContact O-N 2.88Å; V513-T515 PolarHBondContact O-N 3.37Å; V513-S516 PolarHBondContact O-N 3.36Å; V513-S517 PolarHBondContact O-N 2.97Å; V513-S517 PolarHBondContact O-OG 3.26Å |
| 514 | M | 71.3 | Confident | 66.3 | Low | 131 Ų | 131 | 88.7 Ų | 88.7 | 65% | 0.645 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62 | -41.8 | 176.7 | -73.8 | -172.2 | 178.7 | 0 | 0 | 112.7 | I510 Q511 R518 | I510-M514 HydrophobicContact CG2-CE 3.76Å; I510-M514 HydrophobicContact CG2-CG 4.38Å; I510-M514 HydrophobicContact CG2-SD 4.19Å; I510-M514 WeakPolarHBondContact O-CB 3.44Å; I510-M514 WeakPolarHBondContact O-CG 3.4Å; I510-M514 PolarHBondContact O-N 3.27Å; Q511-M514 PolarHBondContact O-N 2.93Å; M514-R518 WeakPolarHBondContact O-CB 3.42Å; M514-R518 PolarHBondContact O-N 3.21Å |
| 515 | T | 72.9 | Confident | 65 | Low | 80 Ų | 80 | 94.3 Ų | 94.3 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -71 | -34.4 | 176.9 | 47.5 | 0 | 0 | 0 | 0 | 112.5 | Q511 R512 V513 R518 N519 | Q511-T515 WeakPolarHBondContact O-CB 3.28Å; Q511-T515 WeakPolarHBondContact O-CG2 3.28Å; Q511-T515 PolarHBondContact O-N 2.94Å; Q511-T515 PolarHBondContact O-OG1 3.14Å; R512-T515 VanDerWaalsContact CA-OG1 3.31Å; R512-T515 WeakPolarHBondContact CA-OG1 3.43Å; R512-T515 PolarHBondContact O-N 3.1Å; R512-T515 PolarHBondContact O-OG1 2.83Å; V513-T515 PolarHBondContact O-N 3.37Å; T515-R518 PolarHBondContact O-N 3.41Å; T515-N519 PolarHBondContact O-N 3.12Å |
| 516 | S | 70.2 | Confident | 63.4 | Low | 59 Ų | 59 | 99.6 Ų | 99.6 | 41% | 0.413 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.2 | -38.5 | 175.3 | -59.2 | 0 | 0 | 0 | 0 | 112 | R512 V513 Q520 | R512-S516 VanDerWaalsContact O-CB 3.24Å; R512-S516 WeakPolarHBondContact O-CB 3.47Å; R512-S516 PolarHBondContact O-N 2.99Å; R512-S516 PolarHBondContact O-OG 3.42Å; V513-S516 PolarHBondContact O-N 3.36Å; S516-Q520 PolarHBondContact O-N 3.21Å |
| 517 | S | 64 | Low | 62.4 | Low | 64 Ų | 64 | 107.6 Ų | 107.6 | 45% | 0.448 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.2 | -39.4 | 171.3 | -62.2 | 0 | 0 | 0 | 0 | 111.3 | V513 Q520 L521 | V513-S517 PolarHBondContact O-N 2.97Å; V513-S517 PolarHBondContact O-OG 3.26Å; S517-Q520 PolarHBondContact O-N 3.47Å; S517-L521 WeakPolarHBondContact O-CD1 3.34Å; S517-L521 PolarHBondContact O-N 3.48Å |
| 518 | R | 58.6 | Low | 61.5 | Low | 195 Ų | 195 | 111 Ų | 111 | 74% | 0.736 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67 | -38.3 | 178.1 | -162.8 | 169.5 | -166.7 | 148.5 | 5.3 | 112.9 | M514 T515 Q520 L521 S522 | M514-R518 WeakPolarHBondContact O-CB 3.42Å; M514-R518 PolarHBondContact O-N 3.21Å; T515-R518 PolarHBondContact O-N 3.41Å; R518-Q520 VanDerWaalsContact C-N 3.26Å; R518-Q520 PolarHBondContact O-N 3.29Å; R518-L521 PolarHBondContact O-N 3.46Å; R518-S522 WeakPolarHBondContact O-CB 3.37Å; R518-S522 PolarHBondContact O-N 3.28Å; R518-S522 PolarHBondContact O-OG 3.36Å |
| 519 | N | 54.8 | Low | 60.6 | Low | 125 Ų | 125 | 112.8 Ų | 112.8 | 67% | 0.668 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -71.3 | -18.9 | 176.2 | -84.3 | -0.2 | 0 | 0 | 0 | 113.7 | T515 | T515-N519 PolarHBondContact O-N 3.12Å |
| 520 | Q | 55.2 | Low | 60 | Low | 168 Ų | 168 | 119.4 Ų | 119.4 | 79% | 0.785 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -83.6 | -20.7 | 170.6 | -73.4 | -175.4 | 65.6 | 0 | 0 | 112.7 | S516 S517 R518 | S516-Q520 PolarHBondContact O-N 3.21Å; S517-Q520 PolarHBondContact O-N 3.47Å; R518-Q520 VanDerWaalsContact C-N 3.26Å; R518-Q520 PolarHBondContact O-N 3.29Å |
| 521 | L | 52.1 | Low | 59.1 | Low | 140 Ų | 140 | 122.9 Ų | 122.9 | 73% | 0.733 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -97.8 | -12.2 | 176 | -85.6 | 93.8 | 0 | 0 | 0 | 114.5 | S517 R518 V523 | S517-L521 WeakPolarHBondContact O-CD1 3.34Å; S517-L521 PolarHBondContact O-N 3.48Å; R518-L521 PolarHBondContact O-N 3.46Å; L521-V523 PolarHBondContact O-N 3.44Å |
| 522 | S | 45.8 | Very low | 58.1 | Low | 75 Ų | 75 | 120.1 Ų | 120.1 | 52% | 0.524 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.9 | 37.3 | -172 | 68.7 | 0 | 0 | 0 | 0 | 115.7 | R518 | R518-S522 WeakPolarHBondContact O-CB 3.37Å; R518-S522 PolarHBondContact O-N 3.28Å; R518-S522 PolarHBondContact O-OG 3.36Å |
| 523 | V | 49.7 | Very low | 57.2 | Low | 137 Ų | 137 | 120 Ų | 120 | 83% | 0.83 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.4 | 1.6 | 171.6 | -177.3 | 0 | 0 | 0 | 0 | 112.3 | L521 | L521-V523 PolarHBondContact O-N 3.44Š|
| 524 | A | 44.4 | Very low | 56.6 | Low | 84 Ų | 84 | 121.9 Ų | 121.9 | 69% | 0.694 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -110.6 | 124.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 525 | D | 45.8 | Very low | 55.8 | Low | 140 Ų | 140 | 121.2 Ų | 121.2 | 75% | 0.749 | 64% | 0.64 | S | S | * | * | trans | -59.9 | 158.9 | 169.6 | -66.2 | -63.9 | 0 | 0 | 0 | 111.7 | ||||
| 526 | E | 46.9 | Very low | 54.8 | Low | 155 Ų | 155 | 121 Ų | 121 | 72% | 0.724 | 64% | 0.642 | S | S | * | * | trans | 95.5 | 121.7 | 150.9 | -68.8 | 160.9 | -157.2 | 0 | 0 | 120.3 | E528 | E526-E528 PolarHBondContact O-N 2.92Š| ||
| 527 | D | 53.2 | Low | 54 | Low | 177 Ų | 177 | 124.3 Ų | 124.3 | 95% | 0.947 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 38.2 | -175.3 | -61.3 | -71.1 | 0 | 0 | 0 | 114.7 | ||
| 528 | E | 56.8 | Low | 53.3 | Low | 161 Ų | 161 | 127.9 Ų | 127.9 | 75% | 0.752 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.9 | -7.3 | -175.6 | -65.2 | -168.5 | 167.2 | 0 | 0 | 114.8 | E526 | E526-E528 PolarHBondContact O-N 2.92Š|
| 529 | D | 58.2 | Low | 53.1 | Low | 101 Ų | 101 | 124.5 Ų | 124.5 | 54% | 0.54 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -96.3 | -9.3 | -169.2 | -67.5 | -28.6 | 0 | 0 | 0 | 116.6 | E531 A532 I533 | D529-E531 VanDerWaalsContact C-N 3.34Å; D529-E531 PolarHBondContact O-N 3.07Å; D529-A532 PolarHBondContact O-N 2.86Å; D529-I533 HydrophobicContact CB-CD1 4.28Å; D529-I533 WeakPolarHBondContact O-CD1 3.29Å; D529-I533 WeakPolarHBondContact O-CG1 3.41Å; D529-I533 PolarHBondContact O-N 3.03Å |
| 530 | E | 58.7 | Low | 53.2 | Low | 153 Ų | 153 | 122.9 Ų | 122.9 | 72% | 0.715 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -68 | -31.4 | -177.7 | -84.5 | -149.1 | -178.6 | 0 | 0 | 113.6 | K534 | E530-K534 PolarHBondContact O-N 3.19Å; E530-K534 VanDerWaalsContact O-N 3.13Å |
| 531 | E | 58.4 | Low | 53.6 | Low | 129 Ų | 129 | 118.8 Ų | 118.8 | 60% | 0.603 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -73 | -42 | 175.7 | -71.6 | -75.8 | 127.4 | 0 | 0 | 110.7 | D529 I533 K534 E535 | D529-E531 VanDerWaalsContact C-N 3.34Å; D529-E531 PolarHBondContact O-N 3.07Å; E531-I533 VanDerWaalsContact C-N 3.34Å; E531-I533 PolarHBondContact O-N 3.39Å; E531-K534 PolarHBondContact O-N 2.79Å; E531-E535 WeakPolarHBondContact O-CB 3.49Å; E531-E535 PolarHBondContact O-N 2.96Å |
| 532 | A | 55.7 | Low | 54.9 | Low | 58 Ų | 58 | 114.9 Ų | 114.9 | 48% | 0.479 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -65.7 | -35.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D529 E535 S536 | D529-A532 PolarHBondContact O-N 2.86Å; A532-E535 PolarHBondContact O-N 3.05Å; A532-S536 WeakPolarHBondContact O-CB 3.05Å; A532-S536 PolarHBondContact O-N 3.11Å; A532-S536 PolarHBondContact O-OG 2.98Å |
| 533 | I | 57.5 | Low | 56.8 | Low | 105 Ų | 105 | 116.1 Ų | 116.1 | 54% | 0.538 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -69.4 | -39.8 | 174.6 | -64 | 164.1 | 0 | 0 | 0 | 110.5 | D529 E531 S536 L537 | D529-I533 HydrophobicContact CB-CD1 4.28Å; D529-I533 WeakPolarHBondContact O-CD1 3.29Å; D529-I533 WeakPolarHBondContact O-CG1 3.41Å; D529-I533 PolarHBondContact O-N 3.03Å; E531-I533 VanDerWaalsContact C-N 3.34Å; E531-I533 PolarHBondContact O-N 3.39Å; I533-S536 PolarHBondContact O-OG 3.1Å; I533-L537 WeakPolarHBondContact O-CB 3.13Å; I533-L537 PolarHBondContact O-N 3.02Å; I533-L537 VanDerWaalsContact O-N 3.11Å |
| 534 | K | 58.8 | Low | 58.6 | Low | 122 Ų | 122 | 110.6 Ų | 110.6 | 53% | 0.53 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.9 | -45 | 171.9 | -88.9 | 178.1 | -177 | 164.7 | 0 | 112.1 | E530 E531 L537 M538 | E530-K534 PolarHBondContact O-N 3.19Å; E530-K534 VanDerWaalsContact O-N 3.13Å; E531-K534 PolarHBondContact O-N 2.79Å; K534-L537 PolarHBondContact O-N 2.93Å; K534-M538 WeakPolarHBondContact O-CB 3.43Å; K534-M538 WeakPolarHBondContact O-CG 3.41Å; K534-M538 PolarHBondContact O-N 3.18Å |
| 535 | E | 53.1 | Low | 60.9 | Low | 117 Ų | 117 | 106.6 Ų | 106.6 | 55% | 0.547 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.3 | -47 | 178.3 | -156.2 | 95.9 | -149.6 | 0 | 0 | 110.6 | E531 A532 L537 M538 N539 | E531-E535 WeakPolarHBondContact O-CB 3.49Å; E531-E535 PolarHBondContact O-N 2.96Å; A532-E535 PolarHBondContact O-N 3.05Å; E535-L537 VanDerWaalsContact C-N 3.29Å; E535-L537 PolarHBondContact O-N 2.92Å; E535-M538 PolarHBondContact O-N 2.8Å; E535-N539 WeakPolarHBondContact O-CB 3.33Å; E535-N539 PolarHBondContact O-N 2.99Å; E535-N539 PolarHBondContact O-ND2 3.41Å; E535-N539 PolarHBondContact O-OD1 2.96Å |
| 536 | S | 52.1 | Low | 62.9 | Low | 76 Ų | 76 | 105.4 Ų | 105.4 | 53% | 0.531 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65 | -30.2 | 178.8 | 74.7 | 0 | 0 | 0 | 0 | 113.7 | A532 I533 | A532-S536 WeakPolarHBondContact O-CB 3.05Å; A532-S536 PolarHBondContact O-N 3.11Å; A532-S536 PolarHBondContact O-OG 2.98Å; I533-S536 PolarHBondContact O-OG 3.1Å |
| 537 | L | 53.9 | Low | 64.8 | Low | 128 Ų | 128 | 104.6 Ų | 104.6 | 67% | 0.67 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -80.1 | -29.6 | 177.5 | -149.1 | 74.6 | 0 | 0 | 0 | 111.7 | I533 K534 E535 S540 | I533-L537 WeakPolarHBondContact O-CB 3.13Å; I533-L537 PolarHBondContact O-N 3.02Å; I533-L537 VanDerWaalsContact O-N 3.11Å; K534-L537 PolarHBondContact O-N 2.93Å; E535-L537 VanDerWaalsContact C-N 3.29Å; E535-L537 PolarHBondContact O-N 2.92Å; L537-S540 PolarHBondContact O-OG 2.76Å |
| 538 | M | 50 | Low | 66.7 | Low | 140 Ų | 140 | 98 Ų | 98 | 69% | 0.69 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -76.8 | -33.8 | 175.9 | -67.7 | -73.7 | -79.8 | 0 | 0 | 112.2 | K534 E535 S540 L541 | K534-M538 WeakPolarHBondContact O-CB 3.43Å; K534-M538 WeakPolarHBondContact O-CG 3.41Å; K534-M538 PolarHBondContact O-N 3.18Å; E535-M538 PolarHBondContact O-N 2.8Å; M538-S540 PolarHBondContact O-N 2.95Å; M538-L541 PolarHBondContact O-N 3.11Å |
| 539 | N | 52.9 | Low | 68.4 | Low | 124 Ų | 124 | 91.7 Ų | 91.7 | 66% | 0.663 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | 9.3 | 179 | -67.1 | -16.3 | 0 | 0 | 0 | 114.9 | E535 | E535-N539 WeakPolarHBondContact O-CB 3.33Å; E535-N539 PolarHBondContact O-N 2.99Å; E535-N539 PolarHBondContact O-ND2 3.41Å; E535-N539 PolarHBondContact O-OD1 2.96Å |
| 540 | S | 57.8 | Low | 70.2 | Confident | 91 Ų | 91 | 86.9 Ų | 86.9 | 64% | 0.636 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | -8.8 | 179.1 | 69.9 | 0 | 0 | 0 | 0 | 114.4 | L537 M538 | L537-S540 PolarHBondContact O-OG 2.76Å; M538-S540 PolarHBondContact O-N 2.95Å |
| 541 | L | 64.4 | Low | 71.8 | Confident | 81 Ų | 81 | 81.3 Ų | 81.3 | 42% | 0.424 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -100 | 135.9 | 178 | -77.2 | 118.7 | 0 | 0 | 0 | 110.7 | M538 | M538-L541 PolarHBondContact O-N 3.11Š|
| 542 | P | 79.2 | Confident | 73.5 | Confident | 59 Ų | 59 | 75.6 Ų | 75.6 | 38% | 0.383 | 41% | 0.408 | S | S | . | . | trans | -69.5 | 132.1 | 179.4 | 26.7 | -32.4 | 0 | 0 | 0 | 111.1 | I544 F572 | P542-I544 HydrophobicContact CB-CD1 4.4Å; P542-I544 HydrophobicContact CB-CG1 3.85Å; P542-I544 HydrophobicContact CG-CD1 3.95Å; P542-I544 HydrophobicContact CG-CG1 3.94Å; P542-I544 PolarHBondContact O-N 3.37Å; P542-F572 HydrophobicContact CG-CD1 4.21Å; P542-F572 HydrophobicContact CG-CE1 4.1Å; P542-F572 VanDerWaalsContact O-CD1 3.27Å; P542-F572 WeakPolarHBondContact O-CD1 3.36Å | ||
| 543 | D | 84.9 | Confident | 75 | Confident | 100 Ų | 100 | 73.9 Ų | 73.9 | 54% | 0.535 | 39% | 0.39 | S | S | . | . | trans | -79.4 | 58.9 | 175.5 | -67.6 | -37 | 0 | 0 | 0 | 112 | F545 M546 F572 | D543-F545 PolarHBondContact O-N 3.07Å; D543-M546 HydrophobicContact CB-CB 4.24Å; D543-M546 HydrophobicContact CB-CE 4.49Å; D543-M546 HydrophobicContact CB-SD 4.38Å; D543-M546 PolarHBondContact O-N 3.35Å; D543-F572 CarbonylContact C-O 3.55Å; D543-F572 VanDerWaalsContact C-O 3.24Å; D543-F572 WeakPolarHBondContact CA-O 3.29Å | ||
| 544 | I | 88.7 | Confident | 76 | Confident | 21 Ų | 21 | 73 Ų | 73 | 11% | 0.108 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -32.7 | -173.7 | -53.6 | 173.1 | 0 | 0 | 0 | 112.1 | P542 F572 C618 L624 | P542-I544 HydrophobicContact CB-CD1 4.4Å; P542-I544 HydrophobicContact CB-CG1 3.85Å; P542-I544 HydrophobicContact CG-CD1 3.95Å; P542-I544 HydrophobicContact CG-CG1 3.94Å; P542-I544 PolarHBondContact O-N 3.37Å; I544-F572 HydrophobicContact CB-CB 4.05Å; I544-F572 HydrophobicContact CB-CG 4.29Å; I544-F572 HydrophobicContact CD1-CD1 3.77Å; I544-F572 HydrophobicContact CD1-CD2 4.22Å; I544-F572 HydrophobicContact CD1-CE1 3.81Å; I544-F572 HydrophobicContact CD1-CE2 4.26Å; I544-F572 HydrophobicContact CD1-CG 3.99Å; I544-F572 HydrophobicContact CD1-CZ 4.06Å; I544-F572 HydrophobicContact CG1-CB 4.44Å; I544-F572 HydrophobicContact CG1-CD1 4.12Å; I544-F572 HydrophobicContact CG1-CG 4.26Å; I544-F572 PolarHBondContact N-O 3.47Å; I544-C618 HydrophobicContact CG2-CB 4.33Å; I544-L624 HydrophobicContact CG2-CB 3.82Å; I544-L624 HydrophobicContact CG2-CD1 3.87Å; I544-L624 HydrophobicContact CG2-CG 4.48Å |
| 545 | F | 91.4 | Very high | 76.7 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 18.7 | -173.7 | -62.5 | -40.2 | 0 | 0 | 0 | 114.1 | D543 N547 K548 F550 F572 G574 W614 I615 C618 L624 | D543-F545 PolarHBondContact O-N 3.07Å; F545-N547 PolarHBondContact O-N 2.87Å; F545-K548 HydrophobicContact CD1-CD 4.14Å; F545-K548 WeakPolarHBondContact O-CB 3.4Å; F545-K548 PolarHBondContact O-N 3.09Å; F545-F550 HydrophobicContact CB-CE2 3.94Å; F545-F550 HydrophobicContact CB-CZ 4.17Å; F545-F550 HydrophobicContact CD1-CE2 4.43Å; F545-F550 AromaticContact CD1-CZ 3.79Å; F545-F550 HydrophobicContact CD1-CZ 3.79Å; F545-F550 HydrophobicContact CD2-CE2 4.48Å; F545-F550 HydrophobicContact CD2-CZ 4.22Å; F545-F550 HydrophobicContact CE1-CZ 4.2Å; F545-F550 HydrophobicContact CG-CE2 4.06Å; F545-F550 AromaticContact CG-CZ 3.81Å; F545-F550 HydrophobicContact CG-CZ 3.81Å; F545-F572 WeakPolarHBondContact CA-O 3.21Å; F545-F572 HydrophobicContact CB-CB 4.39Å; F545-F572 HydrophobicContact CD2-CB 3.61Å; F545-F572 HydrophobicContact CD2-CD2 4.03Å; F545-F572 HydrophobicContact CD2-CG 4.32Å; F545-F572 HydrophobicContact CE2-CB 4.19Å; F545-F572 AromaticContact CE2-CD2 3.71Å; F545-F572 HydrophobicContact CE2-CD2 3.71Å; F545-F572 HydrophobicContact CE2-CG 4.43Å; F545-F572 HydrophobicContact CG-CB 4.2Å; F545-F572 PolarHBondContact N-O 2.57Å; F545-G574 WeakPolarHBondContact O-CA 3.43Å; F545-W614 HydrophobicContact CE1-CH2 4.13Å; F545-W614 HydrophobicContact CE1-CZ2 4.4Å; F545-W614 HydrophobicContact CE1-CZ3 4.4Å; F545-I615 HydrophobicContact CE1-CD1 4.3Å; F545-I615 HydrophobicContact CE2-CD1 3.76Å; F545-I615 HydrophobicContact CE2-CG2 4.3Å; F545-I615 HydrophobicContact CZ-CD1 3.53Å; F545-C618 HydrophobicContact CE1-CB 4.21Å; F545-C618 HydrophobicContact CZ-CB 3.81Å; F545-L624 HydrophobicContact CD1-CD1 3.9Å; F545-L624 HydrophobicContact CE1-CD1 3.83Å |
| 546 | M | 87.5 | Confident | 77.8 | Confident | 115 Ų | 115 | 70.3 Ų | 70.3 | 57% | 0.567 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 131.1 | 176.9 | -167.4 | 154.1 | 56.1 | 0 | 0 | 111.4 | D543 K548 | D543-M546 HydrophobicContact CB-CB 4.24Å; D543-M546 HydrophobicContact CB-CE 4.49Å; D543-M546 HydrophobicContact CB-SD 4.38Å; D543-M546 PolarHBondContact O-N 3.35Å; M546-K548 VanDerWaalsContact C-N 3.25Å; M546-K548 PolarHBondContact O-N 3.13Å |
| 547 | N | 87.8 | Confident | 79.4 | Confident | 139 Ų | 139 | 67 Ų | 67 | 74% | 0.743 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 17.4 | -177.3 | -54.2 | -36.2 | 0 | 0 | 0 | 116.1 | F545 | F545-N547 PolarHBondContact O-N 2.87Š|
| 548 | K | 92.2 | Very high | 81.1 | Confident | 38 Ų | 38 | 64.1 Ų | 64.1 | 17% | 0.165 | 34% | 0.343 | C | S | . | . | trans | -104.4 | 126.9 | 174.5 | -63.7 | -176.9 | -179.2 | -67.6 | 0 | 110.8 | F545 M546 F550 T575 Y586 L624 | F545-K548 HydrophobicContact CD1-CD 4.14Å; F545-K548 WeakPolarHBondContact O-CB 3.4Å; F545-K548 PolarHBondContact O-N 3.09Å; M546-K548 VanDerWaalsContact C-N 3.25Å; M546-K548 PolarHBondContact O-N 3.13Å; K548-F550 HydrophobicContact CB-CD2 4.38Å; K548-F550 HydrophobicContact CB-CE2 3.5Å; K548-F550 HydrophobicContact CB-CZ 3.92Å; K548-F550 HydrophobicContact CD-CZ 4.43Å; K548-F550 VanDerWaalsContact O-CD2 3.28Å; K548-F550 WeakPolarHBondContact O-CD2 3.47Å; K548-F550 WeakPolarHBondContact O-CE2 3.25Å; K548-T575 PolarHBondContact O-N 3.21Å; K548-T575 PolarHBondContact O-OG1 3.28Å; K548-Y586 HydrophobicContact CB-CD2 4.13Å; K548-Y586 HydrophobicContact CB-CE2 3.92Å; K548-Y586 HydrophobicContact CD-CD2 4.49Å; K548-Y586 HydrophobicContact CD-CE2 3.7Å; K548-Y586 HydrophobicContact CG-CE2 3.84Å; K548-Y586 PolarHBondContact NZ-OH 3.07Å; K548-L624 HydrophobicContact CD-CD1 4.35Å | ||
| 549 | N | 93.9 | Very high | 82.8 | Confident | 29 Ų | 29 | 63.3 Ų | 63.3 | 16% | 0.155 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 126.7 | 179.3 | -67.2 | -67.8 | 0 | 0 | 0 | 111.4 | T575 H577 E583 Q585 Y586 | N549-T575 CarbonylContact C-O 3.55Å; N549-T575 WeakPolarHBondContact CA-O 3.43Å; N549-T575 WeakPolarHBondContact CA-OG1 3.45Å; N549-T575 WeakPolarHBondContact OD1-CB 3.38Å; N549-T575 PolarHBondContact OD1-OG1 2.91Å; N549-H577 PolarHBondContact OD1-NE2 3.26Å; N549-E583 WeakPolarHBondContact CB-O 3.42Å; N549-E583 VanDerWaalsContact CG-O 3.27Å; N549-E583 PolarHBondContact ND2-O 3.21Å; N549-Q585 PolarHBondContact O-N 3.17Å; N549-Y586 PolarHBondContact O-N 3.31Å |
| 550 | F | 94.9 | Very high | 84.4 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 147.3 | -175.9 | -63.2 | -97.5 | 0 | 0 | 0 | 112 | F545 K548 I569 T575 L576 H577 Y586 I588 W614 I615 | F545-F550 HydrophobicContact CB-CE2 3.94Å; F545-F550 HydrophobicContact CB-CZ 4.17Å; F545-F550 HydrophobicContact CD1-CE2 4.43Å; F545-F550 AromaticContact CD1-CZ 3.79Å; F545-F550 HydrophobicContact CD1-CZ 3.79Å; F545-F550 HydrophobicContact CD2-CE2 4.48Å; F545-F550 HydrophobicContact CD2-CZ 4.22Å; F545-F550 HydrophobicContact CE1-CZ 4.2Å; F545-F550 HydrophobicContact CG-CE2 4.06Å; F545-F550 AromaticContact CG-CZ 3.81Å; F545-F550 HydrophobicContact CG-CZ 3.81Å; K548-F550 HydrophobicContact CB-CD2 4.38Å; K548-F550 HydrophobicContact CB-CE2 3.5Å; K548-F550 HydrophobicContact CB-CZ 3.92Å; K548-F550 HydrophobicContact CD-CZ 4.43Å; K548-F550 VanDerWaalsContact O-CD2 3.28Å; K548-F550 WeakPolarHBondContact O-CD2 3.47Å; K548-F550 WeakPolarHBondContact O-CE2 3.25Å; F550-I569 HydrophobicContact CB-CD1 3.92Å; F550-I569 HydrophobicContact CB-CG2 4.29Å; F550-I569 HydrophobicContact CD1-CD1 3.97Å; F550-I569 HydrophobicContact CD1-CG1 4.35Å; F550-I569 HydrophobicContact CD2-CG1 4.49Å; F550-I569 HydrophobicContact CD2-CG2 3.55Å; F550-I569 HydrophobicContact CE2-CG2 4.03Å; F550-I569 HydrophobicContact CG-CD1 3.9Å; F550-I569 HydrophobicContact CG-CG1 4.3Å; F550-I569 HydrophobicContact CG-CG2 3.98Å; F550-T575 PolarHBondContact N-O 3.3Å; F550-L576 HydrophobicContact CB-CD1 4.12Å; F550-H577 PolarHBondContact O-N 2.9Å; F550-Y586 CarbonylContact C-O 3.54Å; F550-Y586 WeakPolarHBondContact CA-O 3.36Å; F550-Y586 HydrophobicContact CD1-CD2 4.49Å; F550-Y586 HydrophobicContact CD1-CG 4.4Å; F550-Y586 HydrophobicContact CE1-CD2 4.13Å; F550-Y586 HydrophobicContact CE1-CG 4.19Å; F550-Y586 HydrophobicContact CZ-CD2 4.21Å; F550-I588 HydrophobicContact CD1-CD1 4.11Å; F550-I588 HydrophobicContact CD1-CG1 4.15Å; F550-I588 HydrophobicContact CE1-CD1 4.46Å; F550-W614 HydrophobicContact CE1-CH2 4.47Å; F550-W614 AromaticContact CE1-CZ3 3.7Å; F550-W614 HydrophobicContact CE1-CZ3 3.7Å; F550-W614 HydrophobicContact CZ-CZ3 4.18Å; F550-I615 HydrophobicContact CD1-CD1 4.39Å; F550-I615 HydrophobicContact CE1-CD1 3.76Å; F550-I615 HydrophobicContact CZ-CD1 4.39Å |
| 551 | F | 93.5 | Very high | 86 | Confident | 36 Ų | 36 | 61.4 Ų | 61.4 | 16% | 0.158 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 135 | 166.4 | 176.3 | -105.3 | 0 | 0 | 0 | 109 | M580 V584 Y586 V587 I588 | F551-M580 HydrophobicContact CB-SD 4.26Å; F551-M580 HydrophobicContact CD1-SD 3.61Å; F551-M580 HydrophobicContact CE1-SD 4.11Å; F551-M580 HydrophobicContact CG-SD 3.94Å; F551-V584 HydrophobicContact CB-CB 4.47Å; F551-V584 HydrophobicContact CB-CG1 3.6Å; F551-V584 HydrophobicContact CB-CG2 3.99Å; F551-Y586 PolarHBondContact N-O 3.43Å; F551-V587 HydrophobicContact CD1-CG1 4.21Å; F551-V587 CarbonylContact O-C 3.58Å; F551-V587 WeakPolarHBondContact O-CA 3.43Å; F551-I588 PolarHBondContact O-N 2.87Å |
| 552 | I | 92.8 | Very high | 87.3 | Confident | 9 Ų | 9 | 58.2 Ų | 58.2 | 5% | 0.046 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 125.7 | 179.6 | -61 | 167.9 | 0 | 0 | 0 | 108.9 | N554 I557 E562 I565 K566 I569 L576 I588 | I552-N554 PolarHBondContact O-N 3.17Å; I552-N554 PolarHBondContact O-OD1 3.13Å; I552-I557 HydrophobicContact CG2-CD1 3.79Å; I552-E562 HydrophobicContact CG2-CG 4.25Å; I552-I565 HydrophobicContact CD1-CB 4.47Å; I552-I565 HydrophobicContact CD1-CG2 3.88Å; I552-I565 HydrophobicContact CG1-CG2 4.35Å; I552-K566 HydrophobicContact CD1-CD 4.46Å; I552-K566 HydrophobicContact CD1-CG 3.47Å; I552-K566 VanDerWaalsContact CD1-CG 3.47Å; I552-I569 HydrophobicContact CD1-CD1 4.42Å; I552-L576 HydrophobicContact CD1-CD1 3.68Å; I552-L576 HydrophobicContact CD1-CD2 4.3Å; I552-L576 HydrophobicContact CG1-CD1 3.76Å; I552-I588 HydrophobicContact CG1-CB 4.35Å |
| 553 | H | 87.9 | Confident | 87.8 | Confident | 22 Ų | 22 | 59 Ų | 59 | 10% | 0.102 | 31% | 0.313 | C | S | . | . | trans | -90.8 | 95.5 | 176.4 | -174.5 | 75.8 | 0 | 0 | 0 | 110.4 | K555 V587 I588 E596 | H553-K555 WeakPolarHBondContact NE2-CB 3.44Å; H553-K555 PolarHBondContact O-N 3.16Å; H553-V587 HydrophobicContact CB-CG1 4.44Å; H553-I588 PolarHBondContact N-O 3.2Å; H553-E596 IonicContact CE1-OE2 3.27Å; H553-E596 PolarHBondContact CE1-OE2 3.23Å; H553-E596 VanDerWaalsContact CE1-OE2 3.27Å; H553-E596 IonicContact NE2-OE2 3.75Å | ||
| 554 | N | 79.3 | Confident | 88.2 | Confident | 86 Ų | 86 | 58.1 Ų | 58.1 | 46% | 0.46 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -64.7 | -13 | -169.4 | -69.2 | 22.2 | 0 | 0 | 0 | 115.7 | I552 S556 E562 | I552-N554 PolarHBondContact O-N 3.17Å; I552-N554 PolarHBondContact O-OD1 3.13Å; N554-S556 PolarHBondContact O-N 2.93Å; N554-S556 VanDerWaalsContact O-N 3.1Å; N554-E562 VanDerWaalsContact CG-OE2 3.3Å; N554-E562 VanDerWaalsContact ND2-CD 3.27Å; N554-E562 PolarHBondContact ND2-OE1 2.9Å; N554-E562 PolarHBondContact ND2-OE2 3.18Å; N554-E562 PolarHBondContact OD1-OE1 2.6Å |
| 555 | K | 73.8 | Confident | 88.4 | Confident | 146 Ų | 146 | 57.1 Ų | 57.1 | 64% | 0.635 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -65.4 | -18.6 | -171.6 | -63.7 | -173.2 | 179.8 | 170.1 | 0 | 114.7 | H553 E596 | H553-K555 WeakPolarHBondContact NE2-CB 3.44Å; H553-K555 PolarHBondContact O-N 3.16Å; K555-E596 IonicContact NZ-OE1 3.33Å; K555-E596 PolarHBondContact NZ-OE1 3.22Å; K555-E596 IonicContact NZ-OE2 3.9Å; K555-E596 PolarHBondContact NZ-OE2 3.25Å |
| 556 | S | 74.7 | Confident | 88.5 | Confident | 36 Ų | 36 | 61 Ų | 61 | 25% | 0.252 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -129.9 | 3.4 | -173.8 | 54 | 0 | 0 | 0 | 0 | 115.2 | N554 R590 S591 | N554-S556 PolarHBondContact O-N 2.93Å; N554-S556 VanDerWaalsContact O-N 3.1Å; S556-R590 WeakPolarHBondContact O-CB 3.11Å; S556-R590 PolarHBondContact OG-N 3.26Å; S556-S591 WeakPolarHBondContact CB-OG 3.48Å; S556-S591 PolarHBondContact OG-N 2.89Å; S556-S591 PolarHBondContact OG-OG 2.92Å |
| 557 | I | 85.8 | Confident | 88.7 | Confident | 8 Ų | 8 | 64.5 Ų | 64.5 | 4% | 0.041 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -110.2 | 125.1 | -176.7 | -59.8 | 173.3 | 0 | 0 | 0 | 108.4 | I552 E561 E562 I565 I588 R590 P612 | I552-I557 HydrophobicContact CG2-CD1 3.79Å; I557-E561 HydrophobicContact CG2-CB 4.02Å; I557-E561 HydrophobicContact CG2-CG 4.19Å; I557-E562 HydrophobicContact CG2-CB 3.98Å; I557-I565 HydrophobicContact CD1-CD1 4.31Å; I557-I565 HydrophobicContact CG2-CD1 4.05Å; I557-I588 HydrophobicContact CD1-CG2 4.21Å; I557-R590 HydrophobicContact CG1-CB 4.27Å; I557-R590 HydrophobicContact CG1-CG 4.33Å; I557-P612 HydrophobicContact CD1-CG 4.15Å; I557-P612 HydrophobicContact CG1-CG 4.49Å |
| 558 | P | 89.2 | Confident | 89 | Confident | 67 Ų | 67 | 58.6 Ų | 58.6 | 44% | 0.435 | 29% | 0.294 | S | S | . | . | trans | -61.1 | 144.2 | 173.8 | -19.9 | 30.9 | 0 | 0 | 0 | 112.1 | D560 E561 E562 | P558-D560 VanDerWaalsContact C-N 3.27Å; P558-D560 PolarHBondContact O-N 3.46Å; P558-D560 VanDerWaalsContact O-N 3.15Å; P558-E561 WeakPolarHBondContact O-CA 3.39Å; P558-E561 WeakPolarHBondContact O-CB 3.42Å; P558-E561 PolarHBondContact O-N 3.35Å; P558-E562 PolarHBondContact O-N 3.15Å | ||
| 559 | D | 86.3 | Confident | 89.1 | Confident | 123 Ų | 123 | 56.8 Ų | 56.8 | 66% | 0.658 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -52.8 | -39.5 | -176.7 | -62.5 | -20 | 0 | 0 | 0 | 114.1 | E561 S563 | D559-E561 VanDerWaalsContact C-N 3.28Å; D559-E561 PolarHBondContact O-N 3.06Å; D559-S563 WeakPolarHBondContact O-CB 3.17Å; D559-S563 PolarHBondContact O-N 3.17Å; D559-S563 PolarHBondContact O-OG 2.86Å |
| 560 | D | 85.8 | Confident | 89 | Confident | 145 Ų | 145 | 60 Ų | 60 | 78% | 0.775 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61.8 | -39.2 | 177.9 | -66.8 | -19.4 | 0 | 0 | 0 | 111.6 | P558 L564 | P558-D560 VanDerWaalsContact C-N 3.27Å; P558-D560 PolarHBondContact O-N 3.46Å; P558-D560 VanDerWaalsContact O-N 3.15Å; D560-L564 PolarHBondContact O-N 3.18Å |
| 561 | E | 91.6 | Very high | 88.8 | Confident | 29 Ų | 29 | 61.8 Ų | 61.8 | 14% | 0.136 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -79.6 | -41 | -178.7 | -171.3 | 175.5 | 154.5 | 0 | 0 | 111.5 | I557 P558 D559 S563 L564 I565 R590 F616 | I557-E561 HydrophobicContact CG2-CB 4.02Å; I557-E561 HydrophobicContact CG2-CG 4.19Å; P558-E561 WeakPolarHBondContact O-CA 3.39Å; P558-E561 WeakPolarHBondContact O-CB 3.42Å; P558-E561 PolarHBondContact O-N 3.35Å; D559-E561 VanDerWaalsContact C-N 3.28Å; D559-E561 PolarHBondContact O-N 3.06Å; E561-S563 PolarHBondContact O-N 3.4Å; E561-L564 WeakPolarHBondContact O-CB 3.27Å; E561-L564 PolarHBondContact O-N 2.86Å; E561-L564 VanDerWaalsContact O-N 3.1Å; E561-I565 HydrophobicContact CG-CD1 4.01Å; E561-I565 HydrophobicContact CG-CG1 4.44Å; E561-I565 VanDerWaalsContact O-CG1 3.28Å; E561-I565 WeakPolarHBondContact O-CG1 3.34Å; E561-I565 PolarHBondContact O-N 3.43Å; E561-R590 IonicContact OE1-CZ 3.25Å; E561-R590 IonicContact OE1-NE 3.94Å; E561-R590 PolarHBondContact OE1-NE 3.23Å; E561-R590 IonicContact OE1-NH1 2.86Å; E561-R590 IonicContact OE1-NH2 2.92Å; E561-R590 PolarHBondContact OE1-NH2 2.88Å; E561-R590 IonicContact OE2-CZ 2.71Å; E561-R590 IonicContact OE2-NE 2.81Å; E561-R590 IonicContact OE2-NH1 2.64Å; E561-R590 PolarHBondContact OE2-NH1 3.34Å; E561-R590 IonicContact OE2-NH2 3.35Å; E561-R590 PolarHBondContact OE2-NH2 3.33Å; E561-F616 HydrophobicContact CG-CE2 4.39Å; E561-F616 HydrophobicContact CG-CZ 3.86Å |
| 562 | E | 91.6 | Very high | 88.7 | Confident | 14 Ų | 14 | 60.5 Ų | 60.5 | 7% | 0.065 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -54.8 | -45.6 | 172 | 178.8 | -179.5 | 163.3 | 0 | 0 | 110.4 | I552 N554 I557 P558 L564 I565 K566 | I552-E562 HydrophobicContact CG2-CG 4.25Å; N554-E562 VanDerWaalsContact CG-OE2 3.3Å; N554-E562 VanDerWaalsContact ND2-CD 3.27Å; N554-E562 PolarHBondContact ND2-OE1 2.9Å; N554-E562 PolarHBondContact ND2-OE2 3.18Å; N554-E562 PolarHBondContact OD1-OE1 2.6Å; I557-E562 HydrophobicContact CG2-CB 3.98Å; P558-E562 PolarHBondContact O-N 3.15Å; E562-L564 VanDerWaalsContact C-N 3.3Å; E562-L564 PolarHBondContact O-N 3.03Å; E562-I565 PolarHBondContact O-N 2.96Å; E562-K566 HydrophobicContact CG-CD 4.27Å; E562-K566 HydrophobicContact CG-CG 4.43Å; E562-K566 WeakPolarHBondContact O-CB 3.04Å; E562-K566 VanDerWaalsContact O-CG 3.28Å; E562-K566 WeakPolarHBondContact O-CG 3.28Å; E562-K566 PolarHBondContact O-N 3.46Å; E562-K566 WeakPolarHBondContact OE1-CE 3.37Å; E562-K566 IonicContact OE1-NZ 3.87Å; E562-K566 PolarHBondContact OE1-NZ 2.84Å |
| 563 | S | 91 | Very high | 88.5 | Confident | 76 Ų | 76 | 61.6 Ų | 61.6 | 53% | 0.531 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.8 | -39.8 | 177.5 | -62.2 | 0 | 0 | 0 | 0 | 112.4 | D559 E561 R567 | D559-S563 WeakPolarHBondContact O-CB 3.17Å; D559-S563 PolarHBondContact O-N 3.17Å; D559-S563 PolarHBondContact O-OG 2.86Å; E561-S563 PolarHBondContact O-N 3.4Å; S563-R567 WeakPolarHBondContact O-CB 3.05Å; S563-R567 PolarHBondContact O-N 3.36Å; S563-R567 VanDerWaalsContact O-N 3.14Å |
| 564 | L | 92.2 | Very high | 88.8 | Confident | 82 Ų | 82 | 61 Ų | 61 | 43% | 0.429 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68 | -45.3 | 176.2 | -178.3 | 62.1 | 0 | 0 | 0 | 111.8 | D560 E561 E562 R567 L568 F616 | D560-L564 PolarHBondContact O-N 3.18Å; E561-L564 WeakPolarHBondContact O-CB 3.27Å; E561-L564 PolarHBondContact O-N 2.86Å; E561-L564 VanDerWaalsContact O-N 3.1Å; E562-L564 VanDerWaalsContact C-N 3.3Å; E562-L564 PolarHBondContact O-N 3.03Å; L564-R567 PolarHBondContact O-N 3.35Å; L564-L568 HydrophobicContact CD1-CD1 4.35Å; L564-L568 HydrophobicContact CD1-CG 4.38Å; L564-L568 HydrophobicContact CG-CD1 4.17Å; L564-L568 WeakPolarHBondContact O-CG 3.48Å; L564-L568 PolarHBondContact O-N 3.45Å; L564-F616 HydrophobicContact CD2-CE1 3.78Å; L564-F616 HydrophobicContact CD2-CZ 4.31Å; L564-F616 HydrophobicContact CG-CE1 4.08Å |
| 565 | I | 93.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.5 | -48.5 | 178.3 | -66.1 | 161.9 | 0 | 0 | 0 | 110.3 | I552 I557 E561 E562 R567 L568 I569 I588 P612 I615 F616 | I552-I565 HydrophobicContact CD1-CB 4.47Å; I552-I565 HydrophobicContact CD1-CG2 3.88Å; I552-I565 HydrophobicContact CG1-CG2 4.35Å; I557-I565 HydrophobicContact CD1-CD1 4.31Å; I557-I565 HydrophobicContact CG2-CD1 4.05Å; E561-I565 HydrophobicContact CG-CD1 4.01Å; E561-I565 HydrophobicContact CG-CG1 4.44Å; E561-I565 VanDerWaalsContact O-CG1 3.28Å; E561-I565 WeakPolarHBondContact O-CG1 3.34Å; E561-I565 PolarHBondContact O-N 3.43Å; E562-I565 PolarHBondContact O-N 2.96Å; I565-R567 VanDerWaalsContact C-N 3.28Å; I565-R567 PolarHBondContact O-N 3.2Å; I565-L568 PolarHBondContact O-N 3.01Å; I565-I569 HydrophobicContact CG2-CD1 3.6Å; I565-I569 HydrophobicContact CG2-CG1 4.29Å; I565-I569 WeakPolarHBondContact O-CG1 3.48Å; I565-I569 PolarHBondContact O-N 2.95Å; I565-I588 HydrophobicContact CD1-CG2 4.34Å; I565-I588 HydrophobicContact CG2-CG2 4.39Å; I565-P612 HydrophobicContact CD1-CB 3.69Å; I565-P612 HydrophobicContact CD1-CG 3.85Å; I565-P612 HydrophobicContact CG1-CB 4.34Å; I565-I615 HydrophobicContact CG2-CG1 4.43Å; I565-F616 HydrophobicContact CD1-CZ 4.44Å; I565-F616 HydrophobicContact CG1-CE1 4.06Å; I565-F616 HydrophobicContact CG1-CZ 3.88Å |
| 566 | K | 93.4 | Very high | 90.3 | Very high | 81 Ų | 81 | 56 Ų | 56 | 35% | 0.352 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -55.2 | -46.3 | 176.5 | -72.3 | -175.4 | 178.9 | 168.4 | 0 | 111.5 | I552 E562 V570 L576 | I552-K566 HydrophobicContact CD1-CD 4.46Å; I552-K566 HydrophobicContact CD1-CG 3.47Å; I552-K566 VanDerWaalsContact CD1-CG 3.47Å; E562-K566 HydrophobicContact CG-CD 4.27Å; E562-K566 HydrophobicContact CG-CG 4.43Å; E562-K566 WeakPolarHBondContact O-CB 3.04Å; E562-K566 VanDerWaalsContact O-CG 3.28Å; E562-K566 WeakPolarHBondContact O-CG 3.28Å; E562-K566 PolarHBondContact O-N 3.46Å; E562-K566 WeakPolarHBondContact OE1-CE 3.37Å; E562-K566 IonicContact OE1-NZ 3.87Å; E562-K566 PolarHBondContact OE1-NZ 2.84Å; K566-V570 WeakPolarHBondContact O-CG2 3.49Å; K566-V570 PolarHBondContact O-N 3.32Å; K566-V570 VanDerWaalsContact O-N 3.15Å; K566-L576 HydrophobicContact CB-CD2 4.21Å; K566-L576 HydrophobicContact CD-CD2 4.01Å; K566-L576 HydrophobicContact CG-CD2 3.62Å |
| 567 | R | 92.5 | Very high | 91.1 | Very high | 188 Ų | 188 | 56.2 Ų | 56.2 | 71% | 0.709 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61.7 | -45 | 178.4 | 177.3 | 178.3 | 163.1 | 141.4 | 0.8 | 111.8 | S563 L564 I565 A571 | S563-R567 WeakPolarHBondContact O-CB 3.05Å; S563-R567 PolarHBondContact O-N 3.36Å; S563-R567 VanDerWaalsContact O-N 3.14Å; L564-R567 PolarHBondContact O-N 3.35Å; I565-R567 VanDerWaalsContact C-N 3.28Å; I565-R567 PolarHBondContact O-N 3.2Å; R567-A571 WeakPolarHBondContact O-CB 3.48Å; R567-A571 PolarHBondContact O-N 3.1Å |
| 568 | L | 92.9 | Very high | 91.2 | Very high | 15 Ų | 15 | 63.3 Ų | 63.3 | 8% | 0.079 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.7 | -42.2 | -179.5 | -71 | 174.1 | 0 | 0 | 0 | 112.3 | L564 I565 V570 A571 F572 I615 F616 D619 | L564-L568 HydrophobicContact CD1-CD1 4.35Å; L564-L568 HydrophobicContact CD1-CG 4.38Å; L564-L568 HydrophobicContact CG-CD1 4.17Å; L564-L568 WeakPolarHBondContact O-CG 3.48Å; L564-L568 PolarHBondContact O-N 3.45Å; I565-L568 PolarHBondContact O-N 3.01Å; L568-V570 PolarHBondContact O-N 2.91Å; L568-A571 PolarHBondContact O-N 2.89Å; L568-F572 HydrophobicContact CB-CD2 4.45Å; L568-F572 HydrophobicContact CB-CE2 4.32Å; L568-F572 HydrophobicContact CD2-CE2 3.95Å; L568-F572 HydrophobicContact CD2-CZ 4.33Å; L568-F572 WeakPolarHBondContact O-CD2 3.43Å; L568-F572 PolarHBondContact O-N 3.07Å; L568-I615 HydrophobicContact CB-CG2 3.72Å; L568-I615 HydrophobicContact CD1-CG2 3.89Å; L568-I615 HydrophobicContact CG-CG2 4.48Å; L568-F616 HydrophobicContact CD1-CD1 3.77Å; L568-F616 HydrophobicContact CD1-CE1 3.99Å; L568-D619 HydrophobicContact CD1-CB 4.23Å; L568-D619 HydrophobicContact CD2-CB 4.18Å; L568-D619 WeakPolarHBondContact CD2-OD1 3.2Å |
| 569 | I | 93.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.1 | -50 | 177.2 | -69.2 | 167.7 | 0 | 0 | 0 | 110.3 | F550 I552 I565 F572 G574 L576 I615 | F550-I569 HydrophobicContact CB-CD1 3.92Å; F550-I569 HydrophobicContact CB-CG2 4.29Å; F550-I569 HydrophobicContact CD1-CD1 3.97Å; F550-I569 HydrophobicContact CD1-CG1 4.35Å; F550-I569 HydrophobicContact CD2-CG1 4.49Å; F550-I569 HydrophobicContact CD2-CG2 3.55Å; F550-I569 HydrophobicContact CE2-CG2 4.03Å; F550-I569 HydrophobicContact CG-CD1 3.9Å; F550-I569 HydrophobicContact CG-CG1 4.3Å; F550-I569 HydrophobicContact CG-CG2 3.98Å; I552-I569 HydrophobicContact CD1-CD1 4.42Å; I565-I569 HydrophobicContact CG2-CD1 3.6Å; I565-I569 HydrophobicContact CG2-CG1 4.29Å; I565-I569 WeakPolarHBondContact O-CG1 3.48Å; I565-I569 PolarHBondContact O-N 2.95Å; I569-F572 PolarHBondContact O-N 3.11Å; I569-G574 WeakPolarHBondContact O-CA 3.45Å; I569-G574 PolarHBondContact O-N 2.81Å; I569-L576 HydrophobicContact CD1-CD1 4.3Å; I569-L576 HydrophobicContact CG2-CB 4.49Å; I569-I615 HydrophobicContact CD1-CD1 4.45Å; I569-I615 HydrophobicContact CG1-CD1 4.01Å |
| 570 | V | 92.5 | Very high | 91 | Very high | 96 Ų | 96 | 65.4 Ų | 65.4 | 58% | 0.582 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -68.1 | -39.6 | -179.9 | 175.8 | 0 | 0 | 0 | 0 | 111.6 | K566 L568 F572 G573 | K566-V570 WeakPolarHBondContact O-CG2 3.49Å; K566-V570 PolarHBondContact O-N 3.32Å; K566-V570 VanDerWaalsContact O-N 3.15Å; L568-V570 PolarHBondContact O-N 2.91Å; V570-F572 VanDerWaalsContact C-N 3.27Å; V570-F572 PolarHBondContact O-N 3.35Å; V570-G573 PolarHBondContact O-N 3.14Å |
| 571 | A | 89.9 | Confident | 90.9 | Very high | 39 Ų | 39 | 60.2 Ų | 60.2 | 32% | 0.322 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.2 | -26.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | R567 L568 | R567-A571 WeakPolarHBondContact O-CB 3.48Å; R567-A571 PolarHBondContact O-N 3.1Å; L568-A571 PolarHBondContact O-N 2.89Å |
| 572 | F | 91.9 | Very high | 90.6 | Very high | 8 Ų | 8 | 65.3 Ų | 65.3 | 4% | 0.035 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 19 | 176.2 | -62 | -46.4 | 0 | 0 | 0 | 113.3 | P542 D543 I544 F545 L568 I569 V570 D619 | P542-F572 HydrophobicContact CG-CD1 4.21Å; P542-F572 HydrophobicContact CG-CE1 4.1Å; P542-F572 VanDerWaalsContact O-CD1 3.27Å; P542-F572 WeakPolarHBondContact O-CD1 3.36Å; D543-F572 CarbonylContact C-O 3.55Å; D543-F572 VanDerWaalsContact C-O 3.24Å; D543-F572 WeakPolarHBondContact CA-O 3.29Å; I544-F572 HydrophobicContact CB-CB 4.05Å; I544-F572 HydrophobicContact CB-CG 4.29Å; I544-F572 HydrophobicContact CD1-CD1 3.77Å; I544-F572 HydrophobicContact CD1-CD2 4.22Å; I544-F572 HydrophobicContact CD1-CE1 3.81Å; I544-F572 HydrophobicContact CD1-CE2 4.26Å; I544-F572 HydrophobicContact CD1-CG 3.99Å; I544-F572 HydrophobicContact CD1-CZ 4.06Å; I544-F572 HydrophobicContact CG1-CB 4.44Å; I544-F572 HydrophobicContact CG1-CD1 4.12Å; I544-F572 HydrophobicContact CG1-CG 4.26Å; I544-F572 PolarHBondContact N-O 3.47Å; F545-F572 WeakPolarHBondContact CA-O 3.21Å; F545-F572 HydrophobicContact CB-CB 4.39Å; F545-F572 HydrophobicContact CD2-CB 3.61Å; F545-F572 HydrophobicContact CD2-CD2 4.03Å; F545-F572 HydrophobicContact CD2-CG 4.32Å; F545-F572 HydrophobicContact CE2-CB 4.19Å; F545-F572 AromaticContact CE2-CD2 3.71Å; F545-F572 HydrophobicContact CE2-CD2 3.71Å; F545-F572 HydrophobicContact CE2-CG 4.43Å; F545-F572 HydrophobicContact CG-CB 4.2Å; F545-F572 PolarHBondContact N-O 2.57Å; L568-F572 HydrophobicContact CB-CD2 4.45Å; L568-F572 HydrophobicContact CB-CE2 4.32Å; L568-F572 HydrophobicContact CD2-CE2 3.95Å; L568-F572 HydrophobicContact CD2-CZ 4.33Å; L568-F572 WeakPolarHBondContact O-CD2 3.43Å; L568-F572 PolarHBondContact O-N 3.07Å; I569-F572 PolarHBondContact O-N 3.11Å; V570-F572 VanDerWaalsContact C-N 3.27Å; V570-F572 PolarHBondContact O-N 3.35Å; F572-D619 HydrophobicContact CE2-CB 3.89Å; F572-D619 HydrophobicContact CZ-CB 4.04Å; F572-D619 WeakPolarHBondContact CZ-OD1 3.49Å |
| 573 | G | 89.9 | Confident | 90.3 | Very high | 33 Ų | 33 | 70.7 Ų | 70.7 | 34% | 0.34 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 15.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116 | V570 | V570-G573 PolarHBondContact O-N 3.14Š|
| 574 | G | 92.3 | Very high | 90.4 | Very high | 8 Ų | 8 | 67.1 Ų | 67.1 | 8% | 0.082 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -84.3 | 151.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | F545 I569 | F545-G574 WeakPolarHBondContact O-CA 3.43Å; I569-G574 WeakPolarHBondContact O-CA 3.45Å; I569-G574 PolarHBondContact O-N 2.81Å |
| 575 | T | 93 | Very high | 90.4 | Very high | 66 Ų | 66 | 66.9 Ų | 66.9 | 41% | 0.405 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 121.5 | 178.4 | 42.4 | 0 | 0 | 0 | 0 | 110.8 | K548 N549 F550 | K548-T575 PolarHBondContact O-N 3.21Å; K548-T575 PolarHBondContact O-OG1 3.28Å; N549-T575 CarbonylContact C-O 3.55Å; N549-T575 WeakPolarHBondContact CA-O 3.43Å; N549-T575 WeakPolarHBondContact CA-OG1 3.45Å; N549-T575 WeakPolarHBondContact OD1-CB 3.38Å; N549-T575 PolarHBondContact OD1-OG1 2.91Å; F550-T575 PolarHBondContact N-O 3.3Å |
| 576 | L | 92.9 | Very high | 90.4 | Very high | 61 Ų | 61 | 67.7 Ų | 67.7 | 32% | 0.319 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 121.7 | 179.9 | -178.1 | 73 | 0 | 0 | 0 | 111 | F550 I552 K566 I569 | F550-L576 HydrophobicContact CB-CD1 4.12Å; I552-L576 HydrophobicContact CD1-CD1 3.68Å; I552-L576 HydrophobicContact CD1-CD2 4.3Å; I552-L576 HydrophobicContact CG1-CD1 3.76Å; K566-L576 HydrophobicContact CB-CD2 4.21Å; K566-L576 HydrophobicContact CD-CD2 4.01Å; K566-L576 HydrophobicContact CG-CD2 3.62Å; I569-L576 HydrophobicContact CD1-CD1 4.3Å; I569-L576 HydrophobicContact CG2-CB 4.49Å |
| 577 | H | 91.8 | Very high | 90.4 | Very high | 42 Ų | 42 | 64 Ų | 64 | 19% | 0.194 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 137.8 | 175.5 | -71.5 | -100.2 | 0 | 0 | 0 | 111 | N549 F550 Y579 S581 E583 V584 | N549-H577 PolarHBondContact OD1-NE2 3.26Å; F550-H577 PolarHBondContact O-N 2.9Å; H577-Y579 WeakPolarHBondContact CB-O 3.12Å; H577-S581 PolarHBondContact ND1-OG 3.38Å; H577-E583 IonicContact CE1-OE2 3.35Å; H577-E583 PolarHBondContact CE1-OE2 3.22Å; H577-E583 IonicContact NE2-OE2 3.87Å; H577-V584 HydrophobicContact CB-CG2 3.89Å |
| 578 | Q | 86.4 | Confident | 90.5 | Very high | 156 Ų | 156 | 55.1 Ų | 55.1 | 73% | 0.729 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -78.2 | -23.9 | 176.6 | -173 | 170.8 | 32 | 0 | 0 | 112.8 | ||
| 579 | Y | 87.6 | Confident | 90.5 | Very high | 168 Ų | 168 | 54.4 Ų | 54.4 | 66% | 0.659 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -130.6 | 155.9 | -178.4 | -56.1 | -74.6 | 0 | 0 | 0 | 109.6 | H577 S581 | H577-Y579 WeakPolarHBondContact CB-O 3.12Å; Y579-S581 PolarHBondContact O-N 2.99Å |
| 580 | M | 83.9 | Confident | 90.3 | Very high | 67 Ų | 67 | 59.3 Ų | 59.3 | 33% | 0.33 | 31% | 0.305 | S | S | . | . | trans | -67.5 | 103.3 | 175.6 | -163 | 68.4 | -172.9 | 0 | 0 | 109.7 | F551 V584 V587 A600 L607 | F551-M580 HydrophobicContact CB-SD 4.26Å; F551-M580 HydrophobicContact CD1-SD 3.61Å; F551-M580 HydrophobicContact CE1-SD 4.11Å; F551-M580 HydrophobicContact CG-SD 3.94Å; M580-V584 HydrophobicContact CE-CG1 4.32Å; M580-V584 HydrophobicContact SD-CG1 4.37Å; M580-V587 HydrophobicContact CE-CG2 3.7Å; M580-V587 HydrophobicContact SD-CG2 4.1Å; M580-A600 HydrophobicContact CE-CB 4.19Å; M580-L607 HydrophobicContact CE-CD1 3.09Å; M580-L607 HydrophobicContact CE-CD2 3.28Å; M580-L607 HydrophobicContact CE-CG 3.78Å | ||
| 581 | S | 83.6 | Confident | 90 | Very high | 35 Ų | 35 | 56 Ų | 56 | 25% | 0.245 | 29% | 0.287 | C | S | . | . | trans | -110.4 | 164.6 | 179.6 | 77 | 0 | 0 | 0 | 0 | 111 | H577 Y579 E583 V584 | H577-S581 PolarHBondContact ND1-OG 3.38Å; Y579-S581 PolarHBondContact O-N 2.99Å; S581-E583 PolarHBondContact O-N 3.4Å; S581-E583 PolarHBondContact OG-N 2.97Å; S581-V584 WeakPolarHBondContact O-CB 3.43Å; S581-V584 PolarHBondContact O-N 3.13Å | ||
| 582 | N | 85.9 | Confident | 89.8 | Confident | 137 Ų | 137 | 57.2 Ų | 57.2 | 73% | 0.733 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -11.8 | 177.6 | -60.2 | -3.2 | 0 | 0 | 0 | 112.8 | N604 | N582-N604 PolarHBondContact O-ND2 2.85Š|
| 583 | E | 86.5 | Confident | 89.5 | Confident | 127 Ų | 127 | 59.6 Ų | 59.6 | 59% | 0.593 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -17.6 | 179.4 | -63 | 178.2 | -179.4 | 0 | 0 | 112.5 | N549 H577 S581 Q585 | N549-E583 WeakPolarHBondContact CB-O 3.42Å; N549-E583 VanDerWaalsContact CG-O 3.27Å; N549-E583 PolarHBondContact ND2-O 3.21Å; H577-E583 IonicContact CE1-OE2 3.35Å; H577-E583 PolarHBondContact CE1-OE2 3.22Å; H577-E583 IonicContact NE2-OE2 3.87Å; S581-E583 PolarHBondContact O-N 3.4Å; S581-E583 PolarHBondContact OG-N 2.97Å; E583-Q585 PolarHBondContact O-N 3.36Å |
| 584 | V | 91.8 | Very high | 89.2 | Confident | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | trans | -63.5 | 131.1 | 178.9 | 177.2 | 0 | 0 | 0 | 0 | 109.6 | F551 H577 M580 S581 V587 N604 L607 | F551-V584 HydrophobicContact CB-CB 4.47Å; F551-V584 HydrophobicContact CB-CG1 3.6Å; F551-V584 HydrophobicContact CB-CG2 3.99Å; H577-V584 HydrophobicContact CB-CG2 3.89Å; M580-V584 HydrophobicContact CE-CG1 4.32Å; M580-V584 HydrophobicContact SD-CG1 4.37Å; S581-V584 WeakPolarHBondContact O-CB 3.43Å; S581-V584 PolarHBondContact O-N 3.13Å; V584-V587 HydrophobicContact CG1-CG2 4.2Å; V584-N604 PolarHBondContact O-ND2 3.43Å; V584-N604 VanDerWaalsContact O-ND2 3.15Å; V584-L607 HydrophobicContact CB-CD2 4.25Å; V584-L607 HydrophobicContact CG1-CD2 4.04Å; V584-L607 WeakPolarHBondContact O-CD2 3.38Å | ||
| 585 | Q | 91.8 | Very high | 88.8 | Confident | 77 Ų | 77 | 65.6 Ų | 65.6 | 36% | 0.36 | 33% | 0.331 | S | S | . | . | trans | -108.2 | -38.3 | 175.3 | -68.2 | 171.2 | -10.5 | 0 | 0 | 110.9 | N549 E583 I608 | N549-Q585 PolarHBondContact O-N 3.17Å; E583-Q585 PolarHBondContact O-N 3.36Å; Q585-I608 PolarHBondContact O-N 2.92Å | ||
| 586 | Y | 94.1 | Very high | 88.3 | Confident | 17 Ų | 17 | 66 Ų | 66 | 7% | 0.067 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 124.5 | -173.4 | -61.3 | -73 | 0 | 0 | 0 | 111.5 | K548 N549 F550 F551 I608 I610 W614 | K548-Y586 HydrophobicContact CB-CD2 4.13Å; K548-Y586 HydrophobicContact CB-CE2 3.92Å; K548-Y586 HydrophobicContact CD-CD2 4.49Å; K548-Y586 HydrophobicContact CD-CE2 3.7Å; K548-Y586 HydrophobicContact CG-CE2 3.84Å; K548-Y586 PolarHBondContact NZ-OH 3.07Å; N549-Y586 PolarHBondContact O-N 3.31Å; F550-Y586 CarbonylContact C-O 3.54Å; F550-Y586 WeakPolarHBondContact CA-O 3.36Å; F550-Y586 HydrophobicContact CD1-CD2 4.49Å; F550-Y586 HydrophobicContact CD1-CG 4.4Å; F550-Y586 HydrophobicContact CE1-CD2 4.13Å; F550-Y586 HydrophobicContact CE1-CG 4.19Å; F550-Y586 HydrophobicContact CZ-CD2 4.21Å; F551-Y586 PolarHBondContact N-O 3.43Å; Y586-I608 WeakPolarHBondContact CA-O 3.35Å; Y586-I608 HydrophobicContact CD1-CB 4.02Å; Y586-I608 HydrophobicContact CD1-CD1 4.44Å; Y586-I608 HydrophobicContact CD1-CG2 4.45Å; Y586-I608 HydrophobicContact CE1-CB 4.29Å; Y586-I608 HydrophobicContact CE1-CD1 3.89Å; Y586-I610 HydrophobicContact CD1-CD1 3.23Å; Y586-I610 HydrophobicContact CD1-CG1 4.26Å; Y586-I610 HydrophobicContact CE1-CD1 3.65Å; Y586-I610 HydrophobicContact CG-CD1 4.23Å; Y586-W614 HydrophobicContact CD1-CH2 4.35Å; Y586-W614 HydrophobicContact CD1-CZ3 4.13Å; Y586-W614 HydrophobicContact CE1-CH2 4.04Å; Y586-W614 HydrophobicContact CE1-CZ3 4.27Å; Y586-W614 HydrophobicContact CE2-CH2 4.44Å; Y586-W614 HydrophobicContact CG-CZ3 4.27Å |
| 587 | V | 93.6 | Very high | 88 | Confident | 4 Ų | 4 | 63.3 Ų | 63.3 | 2% | 0.024 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 114.5 | 174.8 | 179.2 | 0 | 0 | 0 | 0 | 109 | F551 H553 M580 V584 L607 I608 F609 I610 | F551-V587 HydrophobicContact CD1-CG1 4.21Å; F551-V587 CarbonylContact O-C 3.58Å; F551-V587 WeakPolarHBondContact O-CA 3.43Å; H553-V587 HydrophobicContact CB-CG1 4.44Å; M580-V587 HydrophobicContact CE-CG2 3.7Å; M580-V587 HydrophobicContact SD-CG2 4.1Å; V584-V587 HydrophobicContact CG1-CG2 4.2Å; V587-L607 HydrophobicContact CG2-CD2 4.22Å; V587-I608 PolarHBondContact N-O 3.48Å; V587-F609 HydrophobicContact CB-CD1 3.69Å; V587-F609 HydrophobicContact CB-CE1 3.99Å; V587-F609 HydrophobicContact CB-CG 4.49Å; V587-F609 HydrophobicContact CG1-CD1 3.77Å; V587-F609 HydrophobicContact CG1-CE1 3.99Å; V587-F609 HydrophobicContact CG2-CD1 4.29Å; V587-F609 HydrophobicContact CG2-CE1 4.11Å; V587-F609 WeakPolarHBondContact O-CA 3.45Å; V587-I610 PolarHBondContact O-N 2.83Å |
| 588 | I | 94.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 120.1 | -179.6 | -52.2 | -56.5 | 0 | 0 | 0 | 109.8 | F550 F551 I552 H553 I557 I565 I610 P612 I615 | F550-I588 HydrophobicContact CD1-CD1 4.11Å; F550-I588 HydrophobicContact CD1-CG1 4.15Å; F550-I588 HydrophobicContact CE1-CD1 4.46Å; F551-I588 PolarHBondContact O-N 2.87Å; I552-I588 HydrophobicContact CG1-CB 4.35Å; H553-I588 PolarHBondContact N-O 3.2Å; I557-I588 HydrophobicContact CD1-CG2 4.21Å; I565-I588 HydrophobicContact CD1-CG2 4.34Å; I565-I588 HydrophobicContact CG2-CG2 4.39Å; I588-I610 WeakPolarHBondContact CA-O 3.37Å; I588-I610 HydrophobicContact CD1-CB 4.13Å; I588-I610 HydrophobicContact CD1-CG2 4.49Å; I588-P612 HydrophobicContact CG2-CB 4.37Å; I588-P612 HydrophobicContact CG2-CG 3.86Å; I588-I615 HydrophobicContact CD1-CD1 4.39Å; I588-I615 HydrophobicContact CD1-CG1 4.3Å |
| 589 | T | 92.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | trans | -149.3 | 147.2 | -177.3 | -173.3 | 0 | 0 | 0 | 0 | 112.5 | S591 F597 I610 R611 P612 V632 | T589-S591 PolarHBondContact OG1-N 3.33Å; T589-S591 VanDerWaalsContact OG1-N 3.11Å; T589-S591 PolarHBondContact OG1-OG 2.93Å; T589-F597 HydrophobicContact CG2-CE1 4.43Å; T589-F597 HydrophobicContact CG2-CE2 4.16Å; T589-F597 HydrophobicContact CG2-CZ 3.71Å; T589-I610 PolarHBondContact N-O 2.96Å; T589-R611 WeakPolarHBondContact O-CA 3.45Å; T589-P612 WeakPolarHBondContact O-CD 3.4Å; T589-V632 HydrophobicContact CG2-CG2 4.02Å | ||
| 590 | R | 90 | Very high | 87.5 | Confident | 103 Ų | 103 | 54.3 Ų | 54.3 | 39% | 0.389 | 29% | 0.286 | S | S | . | . | trans | -98.4 | -5.5 | 167.3 | -89.5 | -166.8 | 167.4 | 162.1 | 7 | 113.5 | S556 I557 E561 P612 E613 | S556-R590 WeakPolarHBondContact O-CB 3.11Å; S556-R590 PolarHBondContact OG-N 3.26Å; I557-R590 HydrophobicContact CG1-CB 4.27Å; I557-R590 HydrophobicContact CG1-CG 4.33Å; E561-R590 IonicContact OE1-CZ 3.25Å; E561-R590 IonicContact OE1-NE 3.94Å; E561-R590 PolarHBondContact OE1-NE 3.23Å; E561-R590 IonicContact OE1-NH1 2.86Å; E561-R590 IonicContact OE1-NH2 2.92Å; E561-R590 PolarHBondContact OE1-NH2 2.88Å; E561-R590 IonicContact OE2-CZ 2.71Å; E561-R590 IonicContact OE2-NE 2.81Å; E561-R590 IonicContact OE2-NH1 2.64Å; E561-R590 PolarHBondContact OE2-NH1 3.34Å; E561-R590 IonicContact OE2-NH2 3.35Å; E561-R590 PolarHBondContact OE2-NH2 3.33Å; R590-P612 HydrophobicContact CG-CG 3.89Å; R590-E613 IonicContact NE-OE1 2.59Å; R590-E613 IonicContact NH2-OE1 2.68Å | ||
| 591 | S | 86.9 | Confident | 87.6 | Confident | 28 Ų | 28 | 53.4 Ų | 53.4 | 20% | 0.196 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -70.6 | 151.6 | -179.1 | -53.6 | 0 | 0 | 0 | 0 | 110.4 | S556 T589 | S556-S591 WeakPolarHBondContact CB-OG 3.48Å; S556-S591 PolarHBondContact OG-N 2.89Å; S556-S591 PolarHBondContact OG-OG 2.92Å; T589-S591 PolarHBondContact OG1-N 3.33Å; T589-S591 VanDerWaalsContact OG1-N 3.11Å; T589-S591 PolarHBondContact OG1-OG 2.93Å |
| 592 | A | 84.2 | Confident | 87.6 | Confident | 64 Ų | 64 | 56.5 Ų | 56.5 | 53% | 0.529 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 167.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | D594 F597 | A592-D594 PolarHBondContact O-N 3.21Å; A592-F597 VanDerWaalsContact O-CE2 3.29Å; A592-F597 WeakPolarHBondContact O-CE2 3.33Å |
| 593 | W | 87.1 | Confident | 87.4 | Confident | 58 Ų | 58 | 53.6 Ų | 53.6 | 22% | 0.22 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -56 | 124.5 | 177 | -162.2 | -78.4 | 0 | 0 | 0 | 110.7 | F597 D598 L601 F609 V632 M634 | W593-F597 HydrophobicContact CD2-CD2 4.15Å; W593-F597 HydrophobicContact CE3-CD2 4.38Å; W593-F597 HydrophobicContact CG-CD2 4.22Å; W593-F597 HydrophobicContact CZ2-CB 4.38Å; W593-D598 PolarHBondContact NE1-OD1 3.35Å; W593-L601 HydrophobicContact CH2-CD1 3.72Å; W593-L601 HydrophobicContact CZ2-CD1 3.52Å; W593-F609 HydrophobicContact CH2-CD2 4.01Å; W593-F609 HydrophobicContact CH2-CE2 4.21Å; W593-F609 HydrophobicContact CZ3-CD2 4.03Å; W593-V632 HydrophobicContact CE3-CG1 4.22Å; W593-V632 WeakPolarHBondContact CZ3-O 3.32Å; W593-M634 HydrophobicContact CD2-CB 4.29Å; W593-M634 HydrophobicContact CD2-CG 3.52Å; W593-M634 HydrophobicContact CE3-CG 4.2Å; W593-M634 HydrophobicContact CG-CB 4.4Å; W593-M634 HydrophobicContact CG-CG 3.73Å; W593-M634 HydrophobicContact CH2-CG 4.42Å; W593-M634 HydrophobicContact CZ2-CE 3.9Å; W593-M634 HydrophobicContact CZ2-CG 3.79Å; W593-M634 HydrophobicContact CZ2-SD 4.48Å; W593-M634 VanDerWaalsContact NE1-CE 3.27Å |
| 594 | D | 83.2 | Confident | 87.4 | Confident | 75 Ų | 75 | 48.6 Ų | 48.6 | 40% | 0.401 | 27% | 0.272 | S | S | . | . | trans | -128.5 | 161.2 | -176 | -164.6 | 5 | 0 | 0 | 0 | 110.4 | A592 E596 F597 | A592-D594 PolarHBondContact O-N 3.21Å; D594-E596 PolarHBondContact O-N 3.18Å; D594-E596 VanDerWaalsContact O-N 3.1Å; D594-F597 WeakPolarHBondContact O-CB 3.28Å; D594-F597 PolarHBondContact O-N 2.9Å | ||
| 595 | V | 84.1 | Confident | 87.1 | Confident | 92 Ų | 92 | 54 Ų | 54 | 56% | 0.558 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -58 | -26.6 | -179.3 | -175.3 | 0 | 0 | 0 | 0 | 111.7 | F597 D598 N599 | V595-F597 PolarHBondContact O-N 2.85Å; V595-D598 PolarHBondContact O-N 3.48Å; V595-N599 PolarHBondContact O-N 2.88Å; V595-N599 VanDerWaalsContact O-N 3.09Å; V595-N599 PolarHBondContact O-ND2 2.81Å |
| 596 | E | 82.8 | Confident | 86.8 | Confident | 74 Ų | 74 | 56.1 Ų | 56.1 | 35% | 0.346 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.2 | -28.3 | 174.8 | -61.8 | -173.2 | 174.2 | 0 | 0 | 112.8 | H553 K555 D594 A600 | H553-E596 IonicContact CE1-OE2 3.27Å; H553-E596 PolarHBondContact CE1-OE2 3.23Å; H553-E596 VanDerWaalsContact CE1-OE2 3.27Å; H553-E596 IonicContact NE2-OE2 3.75Å; K555-E596 IonicContact NZ-OE1 3.33Å; K555-E596 PolarHBondContact NZ-OE1 3.22Å; K555-E596 IonicContact NZ-OE2 3.9Å; K555-E596 PolarHBondContact NZ-OE2 3.25Å; D594-E596 PolarHBondContact O-N 3.18Å; D594-E596 VanDerWaalsContact O-N 3.1Å; E596-A600 WeakPolarHBondContact O-CB 3.45Å; E596-A600 PolarHBondContact O-N 2.81Å |
| 597 | F | 86.9 | Confident | 86.7 | Confident | 5 Ų | 5 | 55.9 Ų | 55.9 | 2% | 0.022 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -76 | -35.7 | 176.8 | -56.8 | -16.3 | 0 | 0 | 0 | 111.2 | T589 A592 W593 D594 V595 N599 A600 L601 F609 | T589-F597 HydrophobicContact CG2-CE1 4.43Å; T589-F597 HydrophobicContact CG2-CE2 4.16Å; T589-F597 HydrophobicContact CG2-CZ 3.71Å; A592-F597 VanDerWaalsContact O-CE2 3.29Å; A592-F597 WeakPolarHBondContact O-CE2 3.33Å; W593-F597 HydrophobicContact CD2-CD2 4.15Å; W593-F597 HydrophobicContact CE3-CD2 4.38Å; W593-F597 HydrophobicContact CG-CD2 4.22Å; W593-F597 HydrophobicContact CZ2-CB 4.38Å; D594-F597 WeakPolarHBondContact O-CB 3.28Å; D594-F597 PolarHBondContact O-N 2.9Å; V595-F597 PolarHBondContact O-N 2.85Å; F597-N599 VanDerWaalsContact C-N 3.34Å; F597-A600 PolarHBondContact O-N 3.41Å; F597-L601 WeakPolarHBondContact O-CB 3.35Å; F597-L601 WeakPolarHBondContact O-CG 3.39Å; F597-L601 PolarHBondContact O-N 3.14Å; F597-F609 HydrophobicContact CB-CD1 4.25Å; F597-F609 HydrophobicContact CB-CE1 3.7Å; F597-F609 HydrophobicContact CB-CE2 4.12Å; F597-F609 HydrophobicContact CB-CZ 3.63Å; F597-F609 AromaticContact CD1-CD1 3.86Å; F597-F609 HydrophobicContact CD1-CD1 3.86Å; F597-F609 AromaticContact CD1-CE1 3.54Å; F597-F609 HydrophobicContact CD1-CE1 3.54Å; F597-F609 HydrophobicContact CD1-CZ 4.35Å; F597-F609 HydrophobicContact CD2-CD1 4.18Å; F597-F609 HydrophobicContact CD2-CE1 4.41Å; F597-F609 HydrophobicContact CE1-CD1 4.27Å; F597-F609 HydrophobicContact CE1-CE1 4.3Å; F597-F609 AromaticContact CG-CD1 3.83Å; F597-F609 HydrophobicContact CG-CD1 3.83Å; F597-F609 AromaticContact CG-CE1 3.62Å; F597-F609 HydrophobicContact CG-CE1 3.62Å; F597-F609 HydrophobicContact CG-CG 4.47Å; F597-F609 HydrophobicContact CG-CZ 4.1Å |
| 598 | D | 83.9 | Confident | 86.6 | Confident | 62 Ų | 62 | 57.2 Ų | 57.2 | 33% | 0.332 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 173.2 | -60.2 | -26.2 | 0 | 0 | 0 | 110.7 | W593 V595 L601 S602 M634 | W593-D598 PolarHBondContact NE1-OD1 3.35Å; V595-D598 PolarHBondContact O-N 3.48Å; D598-L601 PolarHBondContact O-N 2.9Å; D598-S602 PolarHBondContact O-N 3.41Å; D598-M634 WeakPolarHBondContact OD1-CE 3.4Å |
| 599 | N | 85.4 | Confident | 86.5 | Confident | 99 Ų | 99 | 57.4 Ų | 57.4 | 53% | 0.529 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 174.2 | -68.9 | -28.6 | 0 | 0 | 0 | 111.5 | V595 F597 S602 S603 | V595-N599 PolarHBondContact O-N 2.88Å; V595-N599 VanDerWaalsContact O-N 3.09Å; V595-N599 PolarHBondContact O-ND2 2.81Å; F597-N599 VanDerWaalsContact C-N 3.34Å; N599-S602 PolarHBondContact O-N 3.27Å; N599-S602 PolarHBondContact O-OG 2.89Å; N599-S603 PolarHBondContact O-N 3.36Å |
| 600 | A | 84.9 | Confident | 86.6 | Confident | 16 Ų | 16 | 57.4 Ų | 57.4 | 13% | 0.132 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | M580 E596 F597 S602 S603 N604 L607 F609 | M580-A600 HydrophobicContact CE-CB 4.19Å; E596-A600 WeakPolarHBondContact O-CB 3.45Å; E596-A600 PolarHBondContact O-N 2.81Å; F597-A600 PolarHBondContact O-N 3.41Å; A600-S602 VanDerWaalsContact C-N 3.26Å; A600-S602 PolarHBondContact O-N 2.83Å; A600-S603 PolarHBondContact O-N 2.86Å; A600-S603 PolarHBondContact O-OG 2.88Å; A600-N604 PolarHBondContact O-N 3.15Å; A600-L607 HydrophobicContact CB-CD1 3.85Å; A600-L607 WeakPolarHBondContact O-CD1 3.19Å; A600-F609 HydrophobicContact CB-CE1 4.46Å; A600-F609 HydrophobicContact CB-CZ 4.09Å |
| 601 | L | 86.2 | Confident | 86.8 | Confident | 48 Ų | 48 | 58.7 Ų | 58.7 | 25% | 0.251 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.9 | -30.8 | 175.8 | -76.9 | 165 | 0 | 0 | 0 | 113.2 | W593 F597 D598 S603 N604 L607 F609 | W593-L601 HydrophobicContact CH2-CD1 3.72Å; W593-L601 HydrophobicContact CZ2-CD1 3.52Å; F597-L601 WeakPolarHBondContact O-CB 3.35Å; F597-L601 WeakPolarHBondContact O-CG 3.39Å; F597-L601 PolarHBondContact O-N 3.14Å; D598-L601 PolarHBondContact O-N 2.9Å; L601-S603 PolarHBondContact O-N 3.1Å; L601-N604 WeakPolarHBondContact CA-O 3.47Å; L601-N604 CarbonylContact O-C 3.38Å; L601-L607 HydrophobicContact CD2-CB 4.21Å; L601-F609 HydrophobicContact CD1-CE2 3.83Å; L601-F609 HydrophobicContact CD2-CE2 3.98Å; L601-F609 HydrophobicContact CG-CE2 3.68Å; L601-F609 HydrophobicContact CG-CZ 4.12Å |
| 602 | S | 82.9 | Confident | 87.1 | Confident | 100 Ų | 100 | 57.4 Ų | 57.4 | 70% | 0.699 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -66.7 | -27.2 | 174 | 80.1 | 0 | 0 | 0 | 0 | 113 | D598 N599 A600 | D598-S602 PolarHBondContact O-N 3.41Å; N599-S602 PolarHBondContact O-N 3.27Å; N599-S602 PolarHBondContact O-OG 2.89Å; A600-S602 VanDerWaalsContact C-N 3.26Å; A600-S602 PolarHBondContact O-N 2.83Å |
| 603 | S | 83 | Confident | 87.5 | Confident | 75 Ų | 75 | 57.4 Ų | 57.4 | 52% | 0.524 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -89.4 | -33.5 | 177.7 | 65.7 | 0 | 0 | 0 | 0 | 113.2 | N599 A600 L601 | N599-S603 PolarHBondContact O-N 3.36Å; A600-S603 PolarHBondContact O-N 2.86Å; A600-S603 PolarHBondContact O-OG 2.88Å; L601-S603 PolarHBondContact O-N 3.1Å |
| 604 | N | 84.7 | Confident | 87.9 | Confident | 22 Ų | 22 | 54.7 Ų | 54.7 | 12% | 0.118 | 30% | 0.301 | C | S | . | . | trans | -146 | 112.9 | 178.3 | -178.4 | 0.5 | 0 | 0 | 0 | 109.6 | N582 V584 A600 L601 D606 L607 | N582-N604 PolarHBondContact O-ND2 2.85Å; V584-N604 PolarHBondContact O-ND2 3.43Å; V584-N604 VanDerWaalsContact O-ND2 3.15Å; A600-N604 PolarHBondContact O-N 3.15Å; L601-N604 WeakPolarHBondContact CA-O 3.47Å; L601-N604 CarbonylContact O-C 3.38Å; N604-D606 PolarHBondContact O-N 3.3Å; N604-D606 PolarHBondContact OD1-N 3.36Å; N604-D606 VanDerWaalsContact OD1-N 3.07Å; N604-L607 HydrophobicContact CB-CD1 3.87Å; N604-L607 HydrophobicContact CB-CD2 4.31Å; N604-L607 HydrophobicContact CB-CG 3.78Å; N604-L607 WeakPolarHBondContact O-CD1 3.33Å; N604-L607 VanDerWaalsContact O-CG 3.32Å; N604-L607 WeakPolarHBondContact O-CG 3.38Å | ||
| 605 | T | 85.6 | Confident | 88.4 | Confident | 116 Ų | 116 | 51.1 Ų | 51.1 | 71% | 0.712 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -16.1 | -177.1 | 51.1 | 0 | 0 | 0 | 0 | 113.5 | L607 | T605-L607 VanDerWaalsContact C-N 3.3Å; T605-L607 PolarHBondContact O-N 3.3Å |
| 606 | D | 86.4 | Confident | 88.9 | Confident | 120 Ų | 120 | 48.3 Ų | 48.3 | 64% | 0.642 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 9.8 | -171.8 | -60.7 | -7.4 | 0 | 0 | 0 | 112.2 | N604 | N604-D606 PolarHBondContact O-N 3.3Å; N604-D606 PolarHBondContact OD1-N 3.36Å; N604-D606 VanDerWaalsContact OD1-N 3.07Å |
| 607 | L | 90.9 | Very high | 89.3 | Confident | 12 Ų | 12 | 45 Ų | 45 | 6% | 0.063 | 25% | 0.247 | C | C | . | . | trans | -75.6 | 131.8 | -179.2 | -65.6 | 171.9 | 0 | 0 | 0 | 112.4 | M580 V584 V587 A600 L601 N604 T605 F609 | M580-L607 HydrophobicContact CE-CD1 3.09Å; M580-L607 HydrophobicContact CE-CD2 3.28Å; M580-L607 HydrophobicContact CE-CG 3.78Å; V584-L607 HydrophobicContact CB-CD2 4.25Å; V584-L607 HydrophobicContact CG1-CD2 4.04Å; V584-L607 WeakPolarHBondContact O-CD2 3.38Å; V587-L607 HydrophobicContact CG2-CD2 4.22Å; A600-L607 HydrophobicContact CB-CD1 3.85Å; A600-L607 WeakPolarHBondContact O-CD1 3.19Å; L601-L607 HydrophobicContact CD2-CB 4.21Å; N604-L607 HydrophobicContact CB-CD1 3.87Å; N604-L607 HydrophobicContact CB-CD2 4.31Å; N604-L607 HydrophobicContact CB-CG 3.78Å; N604-L607 WeakPolarHBondContact O-CD1 3.33Å; N604-L607 VanDerWaalsContact O-CG 3.32Å; N604-L607 WeakPolarHBondContact O-CG 3.38Å; T605-L607 VanDerWaalsContact C-N 3.3Å; T605-L607 PolarHBondContact O-N 3.3Å; L607-F609 HydrophobicContact CB-CE2 4.34Å; L607-F609 HydrophobicContact CB-CZ 4.4Å | ||
| 608 | I | 92.1 | Very high | 89.6 | Confident | 32 Ų | 32 | 44.8 Ų | 44.8 | 16% | 0.164 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 117.7 | 175.4 | -52.7 | 175.1 | 0 | 0 | 0 | 108.7 | Q585 Y586 V587 I610 Y627 Q631 | Q585-I608 PolarHBondContact O-N 2.92Å; Y586-I608 WeakPolarHBondContact CA-O 3.35Å; Y586-I608 HydrophobicContact CD1-CB 4.02Å; Y586-I608 HydrophobicContact CD1-CD1 4.44Å; Y586-I608 HydrophobicContact CD1-CG2 4.45Å; Y586-I608 HydrophobicContact CE1-CB 4.29Å; Y586-I608 HydrophobicContact CE1-CD1 3.89Å; V587-I608 PolarHBondContact N-O 3.48Å; I608-I610 HydrophobicContact CG2-CD1 3.98Å; I608-I610 HydrophobicContact CG2-CG1 3.73Å; I608-Y627 HydrophobicContact CD1-CE1 4.47Å; I608-Y627 HydrophobicContact CD1-CE2 4.04Å; I608-Y627 HydrophobicContact CG2-CD2 3.91Å; I608-Y627 HydrophobicContact CG2-CE2 3.97Å; I608-Q631 HydrophobicContact CG2-CG 4.47Å |
| 609 | F | 93.1 | Very high | 90 | Very high | 5 Ų | 5 | 45.5 Ų | 45.5 | 2% | 0.022 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 119.4 | 176.1 | -57.6 | -88.4 | 0 | 0 | 0 | 110 | V587 W593 F597 A600 L601 L607 Q631 V632 | V587-F609 HydrophobicContact CB-CD1 3.69Å; V587-F609 HydrophobicContact CB-CE1 3.99Å; V587-F609 HydrophobicContact CB-CG 4.49Å; V587-F609 HydrophobicContact CG1-CD1 3.77Å; V587-F609 HydrophobicContact CG1-CE1 3.99Å; V587-F609 HydrophobicContact CG2-CD1 4.29Å; V587-F609 HydrophobicContact CG2-CE1 4.11Å; V587-F609 WeakPolarHBondContact O-CA 3.45Å; W593-F609 HydrophobicContact CH2-CD2 4.01Å; W593-F609 HydrophobicContact CH2-CE2 4.21Å; W593-F609 HydrophobicContact CZ3-CD2 4.03Å; F597-F609 HydrophobicContact CB-CD1 4.25Å; F597-F609 HydrophobicContact CB-CE1 3.7Å; F597-F609 HydrophobicContact CB-CE2 4.12Å; F597-F609 HydrophobicContact CB-CZ 3.63Å; F597-F609 AromaticContact CD1-CD1 3.86Å; F597-F609 HydrophobicContact CD1-CD1 3.86Å; F597-F609 AromaticContact CD1-CE1 3.54Å; F597-F609 HydrophobicContact CD1-CE1 3.54Å; F597-F609 HydrophobicContact CD1-CZ 4.35Å; F597-F609 HydrophobicContact CD2-CD1 4.18Å; F597-F609 HydrophobicContact CD2-CE1 4.41Å; F597-F609 HydrophobicContact CE1-CD1 4.27Å; F597-F609 HydrophobicContact CE1-CE1 4.3Å; F597-F609 AromaticContact CG-CD1 3.83Å; F597-F609 HydrophobicContact CG-CD1 3.83Å; F597-F609 AromaticContact CG-CE1 3.62Å; F597-F609 HydrophobicContact CG-CE1 3.62Å; F597-F609 HydrophobicContact CG-CG 4.47Å; F597-F609 HydrophobicContact CG-CZ 4.1Å; A600-F609 HydrophobicContact CB-CE1 4.46Å; A600-F609 HydrophobicContact CB-CZ 4.09Å; L601-F609 HydrophobicContact CD1-CE2 3.83Å; L601-F609 HydrophobicContact CD2-CE2 3.98Å; L601-F609 HydrophobicContact CG-CE2 3.68Å; L601-F609 HydrophobicContact CG-CZ 4.12Å; L607-F609 HydrophobicContact CB-CE2 4.34Å; L607-F609 HydrophobicContact CB-CZ 4.4Å; F609-Q631 WeakPolarHBondContact O-CA 3.39Å; F609-V632 HydrophobicContact CB-CB 4.03Å; F609-V632 HydrophobicContact CB-CG2 4.34Å; F609-V632 PolarHBondContact O-N 3.02Å |
| 610 | I | 94.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 144.8 | -173.5 | -58.4 | -179.5 | 0 | 0 | 0 | 110.1 | Y586 V587 I588 T589 I608 W614 Y627 | Y586-I610 HydrophobicContact CD1-CD1 3.23Å; Y586-I610 HydrophobicContact CD1-CG1 4.26Å; Y586-I610 HydrophobicContact CE1-CD1 3.65Å; Y586-I610 HydrophobicContact CG-CD1 4.23Å; V587-I610 PolarHBondContact O-N 2.83Å; I588-I610 WeakPolarHBondContact CA-O 3.37Å; I588-I610 HydrophobicContact CD1-CB 4.13Å; I588-I610 HydrophobicContact CD1-CG2 4.49Å; T589-I610 PolarHBondContact N-O 2.96Å; I608-I610 HydrophobicContact CG2-CD1 3.98Å; I608-I610 HydrophobicContact CG2-CG1 3.73Å; I610-W614 HydrophobicContact CB-CE3 4.47Å; I610-W614 HydrophobicContact CD1-CD2 4.07Å; I610-W614 HydrophobicContact CD1-CE3 3.56Å; I610-W614 HydrophobicContact CD1-CH2 4.24Å; I610-W614 HydrophobicContact CD1-CZ3 3.61Å; I610-W614 HydrophobicContact CG2-CB 3.4Å; I610-W614 VanDerWaalsContact CG2-CB 3.4Å; I610-W614 HydrophobicContact CG2-CD2 3.99Å; I610-W614 HydrophobicContact CG2-CE3 3.79Å; I610-W614 HydrophobicContact CG2-CG 3.86Å; I610-Y627 HydrophobicContact CD1-CG 4.26Å |
| 611 | R | 93.7 | Very high | 90.4 | Very high | 130 Ų | 130 | 50.6 Ų | 50.6 | 49% | 0.491 | 27% | 0.266 | S | S | . | . | trans | -80.9 | 148 | 172.1 | -57.1 | -176.1 | 167.9 | -176.6 | -1.1 | 112.6 | T589 E613 W614 Y630 V632 | T589-R611 WeakPolarHBondContact O-CA 3.45Å; R611-E613 WeakPolarHBondContact CB-OE2 3.47Å; R611-E613 PolarHBondContact O-N 2.81Å; R611-W614 PolarHBondContact O-N 3.05Å; R611-W614 VanDerWaalsContact O-N 3.1Å; R611-Y630 WeakPolarHBondContact CG-O 2.98Å; R611-Y630 PolarHBondContact N-O 3.36Å; R611-V632 HydrophobicContact CG-CG2 3.83Å | ||
| 612 | P | 93.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -26.5 | -179.9 | -30.4 | 36.6 | 0 | 0 | 0 | 115.9 | I557 I565 I588 T589 R590 W614 I615 F616 | I557-P612 HydrophobicContact CD1-CG 4.15Å; I557-P612 HydrophobicContact CG1-CG 4.49Å; I565-P612 HydrophobicContact CD1-CB 3.69Å; I565-P612 HydrophobicContact CD1-CG 3.85Å; I565-P612 HydrophobicContact CG1-CB 4.34Å; I588-P612 HydrophobicContact CG2-CB 4.37Å; I588-P612 HydrophobicContact CG2-CG 3.86Å; T589-P612 WeakPolarHBondContact O-CD 3.4Å; R590-P612 HydrophobicContact CG-CG 3.89Å; P612-W614 PolarHBondContact O-N 2.59Å; P612-W614 VanDerWaalsContact O-N 3.11Å; P612-I615 PolarHBondContact O-N 3.03Å; P612-F616 HydrophobicContact CB-CE2 3.85Å; P612-F616 HydrophobicContact CB-CZ 4.24Å; P612-F616 WeakPolarHBondContact O-CD2 3.32Å; P612-F616 PolarHBondContact O-N 3Å |
| 613 | E | 93.3 | Very high | 90.7 | Very high | 65 Ų | 65 | 52 Ų | 52 | 30% | 0.304 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -56.8 | -26.3 | 179.1 | -67.9 | 73.3 | -159.4 | 0 | 0 | 113.3 | R590 R611 F616 A617 Y630 | R590-E613 IonicContact NE-OE1 2.59Å; R590-E613 IonicContact NH2-OE1 2.68Å; R611-E613 WeakPolarHBondContact CB-OE2 3.47Å; R611-E613 PolarHBondContact O-N 2.81Å; E613-F616 PolarHBondContact O-N 3Å; E613-A617 WeakPolarHBondContact O-CB 3.08Å; E613-A617 PolarHBondContact O-N 2.99Å; E613-Y630 HydrophobicContact CB-CD1 3.68Å; E613-Y630 HydrophobicContact CB-CE1 3.77Å |
| 614 | W | 94.6 | Very high | 91 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.5 | -47.3 | 174.1 | -177.3 | 54.8 | 0 | 0 | 0 | 112.3 | F545 F550 Y586 I610 R611 P612 F616 A617 C618 L624 E625 Y630 | F545-W614 HydrophobicContact CE1-CH2 4.13Å; F545-W614 HydrophobicContact CE1-CZ2 4.4Å; F545-W614 HydrophobicContact CE1-CZ3 4.4Å; F550-W614 HydrophobicContact CE1-CH2 4.47Å; F550-W614 AromaticContact CE1-CZ3 3.7Å; F550-W614 HydrophobicContact CE1-CZ3 3.7Å; F550-W614 HydrophobicContact CZ-CZ3 4.18Å; Y586-W614 HydrophobicContact CD1-CH2 4.35Å; Y586-W614 HydrophobicContact CD1-CZ3 4.13Å; Y586-W614 HydrophobicContact CE1-CH2 4.04Å; Y586-W614 HydrophobicContact CE1-CZ3 4.27Å; Y586-W614 HydrophobicContact CE2-CH2 4.44Å; Y586-W614 HydrophobicContact CG-CZ3 4.27Å; I610-W614 HydrophobicContact CB-CE3 4.47Å; I610-W614 HydrophobicContact CD1-CD2 4.07Å; I610-W614 HydrophobicContact CD1-CE3 3.56Å; I610-W614 HydrophobicContact CD1-CH2 4.24Å; I610-W614 HydrophobicContact CD1-CZ3 3.61Å; I610-W614 HydrophobicContact CG2-CB 3.4Å; I610-W614 VanDerWaalsContact CG2-CB 3.4Å; I610-W614 HydrophobicContact CG2-CD2 3.99Å; I610-W614 HydrophobicContact CG2-CE3 3.79Å; I610-W614 HydrophobicContact CG2-CG 3.86Å; R611-W614 PolarHBondContact O-N 3.05Å; R611-W614 VanDerWaalsContact O-N 3.1Å; P612-W614 PolarHBondContact O-N 2.59Å; P612-W614 VanDerWaalsContact O-N 3.11Å; W614-F616 VanDerWaalsContact C-N 3.26Å; W614-F616 PolarHBondContact O-N 3.03Å; W614-A617 WeakPolarHBondContact O-CB 3.49Å; W614-A617 PolarHBondContact O-N 3.27Å; W614-C618 PolarHBondContact O-N 2.94Å; W614-C618 PolarHBondContact O-SG 3.35Å; W614-C618 VanDerWaalsContact O-SG 3.35Å; W614-L624 HydrophobicContact CH2-CD1 4.27Å; W614-L624 HydrophobicContact CZ2-CD1 3.77Å; W614-E625 PolarHBondContact NE1-O 3.36Å; W614-Y630 HydrophobicContact CB-CD1 4.35Å; W614-Y630 HydrophobicContact CB-CD2 3.83Å; W614-Y630 HydrophobicContact CB-CG 3.71Å; W614-Y630 AromaticContact CD1-CD2 3.57Å; W614-Y630 AromaticContact CD1-CE2 3.97Å; W614-Y630 HydrophobicContact CG-CD2 4.04Å; W614-Y630 HydrophobicContact CG-CG 4.39Å |
| 615 | I | 94.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 177.1 | -58.4 | -65.5 | 0 | 0 | 0 | 109.9 | F545 F550 I565 L568 I569 I588 P612 A617 C618 D619 | F545-I615 HydrophobicContact CE1-CD1 4.3Å; F545-I615 HydrophobicContact CE2-CD1 3.76Å; F545-I615 HydrophobicContact CE2-CG2 4.3Å; F545-I615 HydrophobicContact CZ-CD1 3.53Å; F550-I615 HydrophobicContact CD1-CD1 4.39Å; F550-I615 HydrophobicContact CE1-CD1 3.76Å; F550-I615 HydrophobicContact CZ-CD1 4.39Å; I565-I615 HydrophobicContact CG2-CG1 4.43Å; L568-I615 HydrophobicContact CB-CG2 3.72Å; L568-I615 HydrophobicContact CD1-CG2 3.89Å; L568-I615 HydrophobicContact CG-CG2 4.48Å; I569-I615 HydrophobicContact CD1-CD1 4.45Å; I569-I615 HydrophobicContact CG1-CD1 4.01Å; I588-I615 HydrophobicContact CD1-CD1 4.39Å; I588-I615 HydrophobicContact CD1-CG1 4.3Å; P612-I615 PolarHBondContact O-N 3.03Å; I615-A617 VanDerWaalsContact C-N 3.3Å; I615-A617 PolarHBondContact O-N 2.82Å; I615-C618 PolarHBondContact O-N 3.28Å; I615-D619 PolarHBondContact O-N 2.95Å |
| 616 | F | 93.6 | Very high | 91.5 | Very high | 32 Ų | 32 | 51.8 Ų | 51.8 | 14% | 0.14 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.1 | -26.2 | 176.8 | -53.8 | -37.8 | 0 | 0 | 0 | 113.2 | E561 L564 I565 L568 P612 E613 W614 R620 | E561-F616 HydrophobicContact CG-CE2 4.39Å; E561-F616 HydrophobicContact CG-CZ 3.86Å; L564-F616 HydrophobicContact CD2-CE1 3.78Å; L564-F616 HydrophobicContact CD2-CZ 4.31Å; L564-F616 HydrophobicContact CG-CE1 4.08Å; I565-F616 HydrophobicContact CD1-CZ 4.44Å; I565-F616 HydrophobicContact CG1-CE1 4.06Å; I565-F616 HydrophobicContact CG1-CZ 3.88Å; L568-F616 HydrophobicContact CD1-CD1 3.77Å; L568-F616 HydrophobicContact CD1-CE1 3.99Å; P612-F616 HydrophobicContact CB-CE2 3.85Å; P612-F616 HydrophobicContact CB-CZ 4.24Å; P612-F616 WeakPolarHBondContact O-CD2 3.32Å; P612-F616 PolarHBondContact O-N 3Å; E613-F616 PolarHBondContact O-N 3Å; W614-F616 VanDerWaalsContact C-N 3.26Å; W614-F616 PolarHBondContact O-N 3.03Å; F616-R620 VanDerWaalsContact O-CG 3.28Å; F616-R620 WeakPolarHBondContact O-CG 3.35Å; F616-R620 VanDerWaalsContact O-CZ 3.24Å; F616-R620 PolarHBondContact O-N 3.44Å; F616-R620 PolarHBondContact O-NE 3Å; F616-R620 PolarHBondContact O-NH1 2.9Å |
| 617 | A | 92.6 | Very high | 91.6 | Very high | 5 Ų | 5 | 49.7 Ų | 49.7 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -71.8 | -46.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | E613 W614 I615 D619 R620 S621 E625 Y630 | E613-A617 WeakPolarHBondContact O-CB 3.08Å; E613-A617 PolarHBondContact O-N 2.99Å; W614-A617 WeakPolarHBondContact O-CB 3.49Å; W614-A617 PolarHBondContact O-N 3.27Å; I615-A617 VanDerWaalsContact C-N 3.3Å; I615-A617 PolarHBondContact O-N 2.82Å; A617-D619 VanDerWaalsContact C-N 3.32Å; A617-D619 PolarHBondContact O-N 2.86Å; A617-R620 PolarHBondContact O-N 3.36Å; A617-R620 VanDerWaalsContact O-N 3.12Å; A617-S621 PolarHBondContact O-N 3.24Å; A617-S621 PolarHBondContact O-OG 3.09Å; A617-E625 HydrophobicContact CB-CB 4.39Å; A617-E625 HydrophobicContact CB-CG 3.94Å; A617-Y630 HydrophobicContact CB-CE2 4.29Å; A617-Y630 WeakPolarHBondContact CB-OH 3.46Å |
| 618 | C | 92.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.7 | -41.1 | 174 | -62.3 | 0 | 0 | 0 | 0 | 112.4 | I544 F545 W614 I615 R620 S621 G622 Q623 E625 | I544-C618 HydrophobicContact CG2-CB 4.33Å; F545-C618 HydrophobicContact CE1-CB 4.21Å; F545-C618 HydrophobicContact CZ-CB 3.81Å; W614-C618 PolarHBondContact O-N 2.94Å; W614-C618 PolarHBondContact O-SG 3.35Å; W614-C618 VanDerWaalsContact O-SG 3.35Å; I615-C618 PolarHBondContact O-N 3.28Å; C618-R620 VanDerWaalsContact C-N 3.34Å; C618-R620 PolarHBondContact O-N 3.01Å; C618-S621 PolarHBondContact O-N 3.42Å; C618-G622 WeakPolarHBondContact O-CA 3.41Å; C618-G622 PolarHBondContact O-N 3.19Å; C618-Q623 WeakPolarHBondContact CA-O 3.4Å; C618-E625 PolarHBondContact SG-N 3.35Å |
| 619 | D | 91.6 | Very high | 91.4 | Very high | 78 Ų | 78 | 61.2 Ų | 61.2 | 42% | 0.417 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 174.7 | 178.4 | 59.1 | 0 | 0 | 0 | 112.4 | L568 F572 I615 A617 | L568-D619 HydrophobicContact CD1-CB 4.23Å; L568-D619 HydrophobicContact CD2-CB 4.18Å; L568-D619 WeakPolarHBondContact CD2-OD1 3.2Å; F572-D619 HydrophobicContact CE2-CB 3.89Å; F572-D619 HydrophobicContact CZ-CB 4.04Å; F572-D619 WeakPolarHBondContact CZ-OD1 3.49Å; I615-D619 PolarHBondContact O-N 2.95Å; A617-D619 VanDerWaalsContact C-N 3.32Å; A617-D619 PolarHBondContact O-N 2.86Å |
| 620 | R | 91 | Very high | 91.3 | Very high | 173 Ų | 173 | 63.2 Ų | 63.2 | 65% | 0.653 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -72.5 | -36.2 | 179.8 | -75.9 | -174 | -58.9 | -96.2 | 1.4 | 113.4 | F616 A617 C618 | F616-R620 VanDerWaalsContact O-CG 3.28Å; F616-R620 WeakPolarHBondContact O-CG 3.35Å; F616-R620 VanDerWaalsContact O-CZ 3.24Å; F616-R620 PolarHBondContact O-N 3.44Å; F616-R620 PolarHBondContact O-NE 3Å; F616-R620 PolarHBondContact O-NH1 2.9Å; A617-R620 PolarHBondContact O-N 3.36Å; A617-R620 VanDerWaalsContact O-N 3.12Å; C618-R620 VanDerWaalsContact C-N 3.34Å; C618-R620 PolarHBondContact O-N 3.01Å |
| 621 | S | 87.9 | Confident | 91.1 | Very high | 49 Ų | 49 | 67 Ų | 67 | 34% | 0.343 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -88.1 | -21 | -179.4 | 62.3 | 0 | 0 | 0 | 0 | 113.3 | A617 C618 Q623 E625 | A617-S621 PolarHBondContact O-N 3.24Å; A617-S621 PolarHBondContact O-OG 3.09Å; C618-S621 PolarHBondContact O-N 3.42Å; S621-Q623 PolarHBondContact O-N 3.15Å; S621-Q623 PolarHBondContact OG-N 3.42Å; S621-Q623 PolarHBondContact OG-O 3.49Å; S621-E625 WeakPolarHBondContact CB-OE1 3.34Å; S621-E625 PolarHBondContact OG-OE1 3.17Å |
| 622 | G | 86.3 | Confident | 90.9 | Very high | 33 Ų | 33 | 61 Ų | 61 | 34% | 0.34 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 14.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | C618 | C618-G622 WeakPolarHBondContact O-CA 3.41Å; C618-G622 PolarHBondContact O-N 3.19Å |
| 623 | Q | 89 | Confident | 90.5 | Very high | 143 Ų | 143 | 65.6 Ų | 65.6 | 67% | 0.668 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -138.2 | 164.6 | -178.4 | -64.6 | -174.2 | -4.4 | 0 | 0 | 110.5 | C618 S621 E625 | C618-Q623 WeakPolarHBondContact CA-O 3.4Å; S621-Q623 PolarHBondContact O-N 3.15Å; S621-Q623 PolarHBondContact OG-N 3.42Å; S621-Q623 PolarHBondContact OG-O 3.49Å; Q623-E625 PolarHBondContact O-N 3.07Å; Q623-E625 VanDerWaalsContact O-N 3.17Å |
| 624 | L | 89.7 | Confident | 89.8 | Confident | 86 Ų | 86 | 67.5 Ų | 67.5 | 45% | 0.45 | 34% | 0.34 | S | S | . | . | trans | -76.2 | 104.6 | 178.9 | -171.7 | 72 | 0 | 0 | 0 | 110.3 | I544 F545 K548 W614 | I544-L624 HydrophobicContact CG2-CB 3.82Å; I544-L624 HydrophobicContact CG2-CD1 3.87Å; I544-L624 HydrophobicContact CG2-CG 4.48Å; F545-L624 HydrophobicContact CD1-CD1 3.9Å; F545-L624 HydrophobicContact CE1-CD1 3.83Å; K548-L624 HydrophobicContact CD-CD1 4.35Å; W614-L624 HydrophobicContact CH2-CD1 4.27Å; W614-L624 HydrophobicContact CZ2-CD1 3.77Å | ||
| 625 | E | 89.4 | Confident | 88.4 | Confident | 74 Ų | 74 | 74 Ų | 74 | 35% | 0.346 | 38% | 0.375 | S | S | . | . | trans | -72.2 | 153.2 | 177 | -70.3 | -68.4 | 155.3 | 0 | 0 | 112.4 | W614 A617 C618 S621 Q623 Y627 | W614-E625 PolarHBondContact NE1-O 3.36Å; A617-E625 HydrophobicContact CB-CB 4.39Å; A617-E625 HydrophobicContact CB-CG 3.94Å; C618-E625 PolarHBondContact SG-N 3.35Å; S621-E625 WeakPolarHBondContact CB-OE1 3.34Å; S621-E625 PolarHBondContact OG-OE1 3.17Å; Q623-E625 PolarHBondContact O-N 3.07Å; Q623-E625 VanDerWaalsContact O-N 3.17Å; E625-Y627 PolarHBondContact O-N 2.97Å | ||
| 626 | A | 91 | Very high | 85.8 | Confident | 49 Ų | 49 | 83.1 Ų | 83.1 | 41% | 0.405 | 44% | 0.438 | S | S | . | . | trans | -65.9 | 127.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | E628 | A626-E628 WeakPolarHBondContact CB-OE2 3.46Š| ||
| 627 | Y | 90.5 | Very high | 85.4 | Confident | 77 Ų | 77 | 85.7 Ų | 85.7 | 30% | 0.302 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -82.3 | -15.5 | -172.9 | 63.5 | -97.1 | 0 | 0 | 0 | 113.9 | I608 I610 E625 Q629 Y630 Q631 | I608-Y627 HydrophobicContact CD1-CE1 4.47Å; I608-Y627 HydrophobicContact CD1-CE2 4.04Å; I608-Y627 HydrophobicContact CG2-CD2 3.91Å; I608-Y627 HydrophobicContact CG2-CE2 3.97Å; I610-Y627 HydrophobicContact CD1-CG 4.26Å; E625-Y627 PolarHBondContact O-N 2.97Å; Y627-Q629 PolarHBondContact O-N 3.34Å; Y627-Q629 VanDerWaalsContact O-N 3.14Å; Y627-Y630 PolarHBondContact O-N 2.67Å; Y627-Q631 PolarHBondContact O-N 3.41Å; Y627-Q631 VanDerWaalsContact O-N 3.14Å |
| 628 | E | 89.4 | Confident | 85 | Confident | 124 Ų | 124 | 89.9 Ų | 89.9 | 58% | 0.579 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -61.8 | -30.5 | -170.7 | -57.3 | 103.3 | 167.8 | 0 | 0 | 112.7 | A626 Y630 | A626-E628 WeakPolarHBondContact CB-OE2 3.46Å; E628-Y630 PolarHBondContact O-N 3.03Å |
| 629 | Q | 87.8 | Confident | 84.6 | Confident | 161 Ų | 161 | 94.9 Ų | 94.9 | 75% | 0.752 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -71.8 | -18.4 | 178.7 | -59.7 | -178.4 | 16.1 | 0 | 0 | 113.4 | Y627 | Y627-Q629 PolarHBondContact O-N 3.34Å; Y627-Q629 VanDerWaalsContact O-N 3.14Å |
| 630 | Y | 91.2 | Very high | 84.2 | Confident | 47 Ų | 47 | 95.9 Ų | 95.9 | 18% | 0.184 | 51% | 0.506 | C | S | . | . | G | 310 helix | trans | -112.3 | 0.6 | -176.2 | -54.4 | -80.1 | 0 | 0 | 0 | 112.3 | R611 E613 W614 A617 Y627 E628 | R611-Y630 WeakPolarHBondContact CG-O 2.98Å; R611-Y630 PolarHBondContact N-O 3.36Å; E613-Y630 HydrophobicContact CB-CD1 3.68Å; E613-Y630 HydrophobicContact CB-CE1 3.77Å; W614-Y630 HydrophobicContact CB-CD1 4.35Å; W614-Y630 HydrophobicContact CB-CD2 3.83Å; W614-Y630 HydrophobicContact CB-CG 3.71Å; W614-Y630 AromaticContact CD1-CD2 3.57Å; W614-Y630 AromaticContact CD1-CE2 3.97Å; W614-Y630 HydrophobicContact CG-CD2 4.04Å; W614-Y630 HydrophobicContact CG-CG 4.39Å; A617-Y630 HydrophobicContact CB-CE2 4.29Å; A617-Y630 WeakPolarHBondContact CB-OH 3.46Å; Y627-Y630 PolarHBondContact O-N 2.67Å; E628-Y630 PolarHBondContact O-N 3.03Å |
| 631 | Q | 91.4 | Very high | 83.8 | Confident | 80 Ų | 80 | 91.1 Ų | 91.1 | 37% | 0.374 | 50% | 0.497 | S | S | . | . | B | Isolated β-bridge | trans | -68.3 | 136.7 | -179.9 | -171.2 | 173.5 | -2.5 | 0 | 0 | 110.3 | I608 F609 Y627 | I608-Q631 HydrophobicContact CG2-CG 4.47Å; F609-Q631 WeakPolarHBondContact O-CA 3.39Å; Y627-Q631 PolarHBondContact O-N 3.41Å; Y627-Q631 VanDerWaalsContact O-N 3.14Å |
| 632 | V | 89.4 | Confident | 83.5 | Confident | 5 Ų | 5 | 93.9 Ų | 93.9 | 3% | 0.03 | 51% | 0.507 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 120.7 | 171.2 | -173 | 0 | 0 | 0 | 0 | 107.4 | T589 W593 F609 R611 | T589-V632 HydrophobicContact CG2-CG2 4.02Å; W593-V632 HydrophobicContact CE3-CG1 4.22Å; W593-V632 WeakPolarHBondContact CZ3-O 3.32Å; F609-V632 HydrophobicContact CB-CB 4.03Å; F609-V632 HydrophobicContact CB-CG2 4.34Å; F609-V632 PolarHBondContact O-N 3.02Å; R611-V632 HydrophobicContact CG-CG2 3.83Å |
| 633 | T | 85.3 | Confident | 83.3 | Confident | 95 Ų | 95 | 98.2 Ų | 98.2 | 58% | 0.583 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -101.5 | 150.1 | 178.2 | 54.4 | 0 | 0 | 0 | 0 | 110.9 | N635 | T633-N635 PolarHBondContact O-N 2.62Š|
| 634 | M | 78.3 | Confident | 82.8 | Confident | 106 Ų | 106 | 94.8 Ų | 94.8 | 52% | 0.522 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 127.3 | 165.8 | -89.1 | -175.4 | 168.8 | 0 | 0 | 109.3 | W593 D598 S636 | W593-M634 HydrophobicContact CD2-CB 4.29Å; W593-M634 HydrophobicContact CD2-CG 3.52Å; W593-M634 HydrophobicContact CE3-CG 4.2Å; W593-M634 HydrophobicContact CG-CB 4.4Å; W593-M634 HydrophobicContact CG-CG 3.73Å; W593-M634 HydrophobicContact CH2-CG 4.42Å; W593-M634 HydrophobicContact CZ2-CE 3.9Å; W593-M634 HydrophobicContact CZ2-CG 3.79Å; W593-M634 HydrophobicContact CZ2-SD 4.48Å; W593-M634 VanDerWaalsContact NE1-CE 3.27Å; D598-M634 WeakPolarHBondContact OD1-CE 3.4Å; M634-S636 PolarHBondContact O-N 3.29Å; M634-S636 VanDerWaalsContact O-N 3.15Å |
| 635 | N | 63.7 | Low | 82.3 | Confident | 138 Ų | 138 | 95.5 Ų | 95.5 | 74% | 0.738 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 117.9 | 168 | -78.4 | -3.3 | 0 | 0 | 0 | 107.7 | T633 | T633-N635 PolarHBondContact O-N 2.62Š|
| 636 | S | 40.1 | Very low | 81.6 | Confident | 190 Ų | 190 | 97.5 Ų | 97.5 | 100% | 1.329 | 53% | 0.527 | S | S | * | . | trans | -70.5 | 0 | 177.9 | -37.9 | 0 | 0 | 0 | 0 | 112.4 | M634 | M634-S636 PolarHBondContact O-N 3.29Å; M634-S636 VanDerWaalsContact O-N 3.15Å |
Retrieved 636 of 636 residues in 112.6 ms
(Link to these results)